A0A077YZH2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 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 low24.8Very low245 Ų245158 Ų158100%1.20785%0.847SS**  082.50-69.5175.5170.500106.6
2S24.2Very low25.4Very low109 Ų109152.8 Ų152.876%0.76283%0.827SS**  92.287.675-1530000111
3F18.3Very low26.1Very low204 Ų204152.4 Ų152.490%0.89583%0.825SS**  trans-68.5142.5165.6-68-93.3000109.6
4R21.5Very low27.1Very low232 Ų232151.8 Ų151.888%0.87583%0.829SS**  trans-128.5111.5162-79.2-168.6178.9-1660.6109
5V19.6Very low27.7Very low132 Ų132153.5 Ų153.580%0.883%0.829SS**  trans-83.6139.7161.8175.30000107
6L22.3Very low28.3Very low149 Ų149153.4 Ų153.478%0.7883%0.828SS**  trans-139.2104168-104.8150000108.9
7S21.4Very low28.5Very low109 Ų109155.5 Ų155.576%0.76283%0.827SS**  trans-69.3146.2157.7-710000109.8
8V24.9Very low28.7Very low133 Ų133153.9 Ų153.981%0.80683%0.831SS**  trans-133.9125159.1179.20000109.2
9S26.3Very low28.6Very low114 Ų114154.2 Ų154.280%0.79783%0.831SS**  trans-79.5140.8177.2-172.60000110.7
10I27.3Very low28.7Very low161 Ų161153.2 Ų153.283%0.82683%0.829SS**  trans-95.3129.9173-60.6171.8000108.4
11N33.4Very low28.6Very low150 Ų150154.1 Ų154.180%0.80283%0.828SS**  trans-119.3125.3170-168.8-12.8000108.6
12P32.3Very low28.5Very low95 Ų95149.8 Ų149.862%0.61781%0.81SS**  trans-102.3118.2-178.535-25.1000111.5
13N33.7Very low28.9Very low148 Ų148153.9 Ų153.979%0.79181%0.814SS**  trans158119142.5-94-52.5000110.4
14T41Very low29.4Very low144 Ų144149.6 Ų149.688%0.88381%0.809SS**  179.6127126.525.60000110.8
15H35.7Very low30.1Very low178 Ų178143.8 Ų143.882%0.82480%0.801SS**  trans-62136.3165.6-90.7-115.6000111.8
16N38.1Very low30.6Very low152 Ų152145 Ų14581%0.81380%0.803SS**  179.8151112.8-111.3-34.1000114.6
17K30.2Very low31.1Very low189 Ų189147.4 Ų147.482%0.82281%0.81SS**  trans-61.7144.6-177.4-62.2164.3174175.60114
18S33.6Very low31.7Very low127 Ų127150.8 Ų150.889%0.88881%0.813SS**  -176.4145.1126.220.90000112.2
19L26.1Very low32Very low159 Ų159149.5 Ų149.583%0.83281%0.808SS**  trans-100.3123.6-171.1-169151.6000108
20V31.3Very low32Very low133 Ų133152.8 Ų152.881%0.80680%0.803SS**  trans-141.5115.4165.4179.60000108.9
21E26.6Very low32Very low173 Ų173151.6 Ų151.681%0.80881%0.808SS**  trans-80.5131.7169.2-171.5-169.1147.500109
22L29.7Very low31.9Very low155 Ų155152.6 Ų152.681%0.81280%0.801SS**  trans-170.1107.3156.1-103.3146000112.7
23K33.5Very low31.7Very low194 Ų194151.9 Ų151.984%0.84380%0.803SS**  trans27.1121.8143.3-81.3169171.4171.30121.6
24S29Very low31.5Very low115 Ų115154.9 Ų154.980%0.80480%0.804SS**  trans-31.6172.1150.9-53.60000117.2
25P36.1Very low31Very low109 Ų109155.8 Ų155.871%0.70880%0.798SS**  cis-147178.722.938.2-15000119
26L29.2Very low30.8Very low159 Ų159156.9 Ų156.983%0.83280%0.796SS**  trans73.1100.3151.3-80.8150.5000119.7
27Q34.2Very low30.4Very low199 Ų199158.3 Ų158.393%0.9380%0.795SS**  -168116.5124-112165.21400112.4
28Q34Very low30.3Very low179 Ų179155.5 Ų155.584%0.83679%0.794SS**  trans-87.8164.5166.1-112.3-176.12.900109.8
29P30.9Very low30.1Very low107 Ų107153.3 Ų153.370%0.69578%0.778SS**  -147.7141.510025.1-2.5000117.7
30R27.1Very low30.5Very low182 Ų182152.5 Ų152.569%0.68777%0.774SS**  trans79.795.7135-64.9167.4-168.6-153.29.6119.4Y32R30-Y32 HydrophobicContact CB-CD2 4.27Å; R30-Y32 HydrophobicContact CB-CE2 4.05Å; R30-Y32 HydrophobicContact CG-CE2 3.92Å; R30-Y32 PolarHBondContact NH1-OH 2.96Å
31C26.6Very low30.9Very low137 Ų137151.2 Ų151.293%0.92677%0.768SS**  trans-103.4120.8137.7-69.90000108
32Y31.3Very low31.3Very low171 Ų171146.2 Ų146.267%0.67176%0.763SS**  trans-84.1121.9179.2-84-83.1000111.3R30R30-Y32 HydrophobicContact CB-CD2 4.27Å; R30-Y32 HydrophobicContact CB-CE2 4.05Å; R30-Y32 HydrophobicContact CG-CE2 3.92Å; R30-Y32 PolarHBondContact NH1-OH 2.96Å
33A28.3Very low31.7Very low80 Ų80146 Ų14666%0.66176%0.758SS**  trans15113.5146.900000118.8
34W29.4Very low31.7Very low211 Ų211144.1 Ų144.180%0.79975%0.745SS**  trans-121.997.1141.1-86.665000107.2P144W34-P144 HydrophobicContact CE3-CG 4.14Å; W34-P144 HydrophobicContact CH2-CB 3.58Å; W34-P144 HydrophobicContact CH2-CG 3.13Å; W34-P144 HydrophobicContact CZ2-CG 4.29Å; W34-P144 HydrophobicContact CZ3-CB 3.69Å; W34-P144 HydrophobicContact CZ3-CG 3.06Å
35E29.6Very low31.9Very low162 Ų162146.9 Ų146.976%0.75774%0.74SS**  trans-71.3130.6165.5-73.4178.7141.500108.6
36Y31.6Very low31.9Very low201 Ų201149.9 Ų149.979%0.78874%0.741SS**  172.3112.4126.7-92.1-70000109.1
37K29.1Very low32.1Very low182 Ų182146.3 Ų146.379%0.79172%0.722SS**SBendtrans49.5116.4153.1-61.7175.4-179.5179.30117.2
38T28.4Very low32.1Very low131 Ų131141.6 Ų141.680%0.80470%0.7SS**  cis-174.6116.221.821.30000107.9
39C29.5Very low32.2Very low80 Ų80141.3 Ų141.354%0.54170%0.699SS.*  trans-152.8118.6151-94.20000106W44C39-W44 HydrophobicContact CB-CZ2 4.43Å
40L35Very low32.6Very low143 Ų143145.2 Ų145.275%0.74971%0.705SS**  trans-58.5132.9-173.9-79.1160.6000110.8G42 Q43L40-G42 PolarHBondContact O-N 3.45Å; L40-Q43 PolarHBondContact O-N 3.33Å
41P39.4Very low33Very low106 Ų106139.3 Ų139.369%0.68869%0.686SS**THydrogen-bonded Turntrans-62.5-6.9-174.220.9-30.5000114.9
42G35.9Very low33.1Very low68 Ų68135.7 Ų135.770%0.70167%0.672SS**THydrogen-bonded Turntrans-93.6-5.8-179.900000116.6L40L40-G42 PolarHBondContact O-N 3.45Å
43Q37.8Very low33.2Very low151 Ų151131.9 Ų131.971%0.70667%0.667SS**SBendtrans-99.4-12.5177.3-70.7-152.4-14.700114.5L40 Y45 K46L40-Q43 PolarHBondContact O-N 3.33Å; Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 3.22Å; Q43-K46 PolarHBondContact O-N 2.74Å
44W33Very low33.3Very low153 Ų153130.5 Ų130.558%0.5866%0.66SS**G310 helixtrans-61.2-36.6-179.7-74.886.5000113.3C39 K46 I47 E48C39-W44 HydrophobicContact CB-CZ2 4.43Å; W44-K46 VanDerWaalsContact C-N 3.29Å; W44-K46 PolarHBondContact O-N 3.28Å; W44-I47 PolarHBondContact O-N 3.07Å; W44-E48 PolarHBondContact O-N 2.89Å
45Y32.5Very low33.6Very low174 Ų174127.4 Ų127.468%0.68265%0.654SS**G310 helixtrans-71.1-15.5-176.9-70.8-76.3000115Q43Q43-Y45 VanDerWaalsContact C-N 3.31Å; Q43-Y45 PolarHBondContact O-N 3.22Å
46K37.7Very low33.7Very low172 Ų172124.2 Ų124.275%0.74864%0.638SS**G310 helixtrans-90.6-14.1177.5-108178179.4177.50113.9Q43 W44Q43-K46 PolarHBondContact O-N 2.74Å; W44-K46 VanDerWaalsContact C-N 3.29Å; W44-K46 PolarHBondContact O-N 3.28Å
47I32.5Very low33.7Very low83 Ų83119.4 Ų119.443%0.42663%0.633SS.*THydrogen-bonded Turntrans-89-32.9175.3-62.4175000109.8W44 E49 K50 I51W44-I47 PolarHBondContact O-N 3.07Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.03Å; I47-K50 PolarHBondContact O-N 3.26Å; I47-I51 HydrophobicContact CG2-CD1 3.92Å; I47-I51 PolarHBondContact O-N 3.44Å
48E34.9Very low34Very low101 Ų101119.4 Ų119.447%0.47263%0.628SS.*THydrogen-bonded Turntrans-66.7-22176.4-74.5-166.5141.100114.8W44 T53W44-E48 PolarHBondContact O-N 2.89Å; E48-T53 HydrophobicContact CB-CG2 3.49Å; E48-T53 VanDerWaalsContact CB-CG2 3.49Å; E48-T53 HydrophobicContact CG-CG2 3.55Å; E48-T53 WeakPolarHBondContact O-CG2 3.14Å
49E36.5Very low34.4Very low172 Ų172117.2 Ų117.280%0.80461%0.611SS**THydrogen-bonded Turntrans-90.9-20.1-178.5-159.8177.8-172.400113.3I47I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 3.03Å
50K38.2Very low34.5Very low189 Ų189117.6 Ų117.682%0.82261%0.606SS**THydrogen-bonded Turntrans-103.3-20-179.9-83.9-171.8175-175.10114.6I47I47-K50 PolarHBondContact O-N 3.26Å
51I36.3Very low34.4Very low59 Ų59114.3 Ų114.330%0.30360%0.599SS.*THydrogen-bonded Turntrans-121.498.2-178.7-51.2177.3000105.9I47 T53 F56 Y133I47-I51 HydrophobicContact CG2-CD1 3.92Å; I47-I51 PolarHBondContact O-N 3.44Å; I51-T53 PolarHBondContact O-N 3.31Å; I51-F56 HydrophobicContact CG2-CB 4.31Å; I51-Y133 VanDerWaalsContact CD1-OH 3.28Å; I51-Y133 WeakPolarHBondContact CD1-OH 3.48Å
52G29.1Very low34.4Very low60 Ų60115.9 Ų115.962%0.61960%0.598SS**THydrogen-bonded Turntrans-39.3110.4-177.100000112.3G54 H55G52-G54 PolarHBondContact O-N 3.25Å; G52-H55 PolarHBondContact O-N 3.35Å
53T32.4Very low34.3Very low92 Ų92116.5 Ų116.556%0.56459%0.591SS**THydrogen-bonded Turntrans-64.95.6-162.726.40000116.2E48 I51E48-T53 HydrophobicContact CB-CG2 3.49Å; E48-T53 VanDerWaalsContact CB-CG2 3.49Å; E48-T53 HydrophobicContact CG-CG2 3.55Å; E48-T53 WeakPolarHBondContact O-CG2 3.14Å; I51-T53 PolarHBondContact O-N 3.31Å
54G30.8Very low34Very low51 Ų51114.2 Ų114.253%0.52658%0.583SS.*THydrogen-bonded Turntrans-95.4-22.5176.200000115.2G52 R58G52-G54 PolarHBondContact O-N 3.25Å; G54-R58 WeakPolarHBondContact O-CB 3.3Å
55H35Very low33.9Very low145 Ų145109.3 Ų109.367%0.67158%0.58SS**THydrogen-bonded Turntrans-104.6-27.9-162.4-141.1-68.5000114.7G52G52-H55 PolarHBondContact O-N 3.35Å
56F33.2Very low34Very low95 Ų95105.1 Ų105.142%0.41757%0.569SS.*Hα-helixtrans-90.6-39.7-172.1-162.6-110000113I51 M60I51-F56 HydrophobicContact CG2-CB 4.31Å; F56-M60 HydrophobicContact CD1-CE 4.04Å; F56-M60 HydrophobicContact CE1-CE 3.3Å; F56-M60 HydrophobicContact CE2-CE 4.37Å; F56-M60 HydrophobicContact CZ-CE 3.5Å; F56-M60 VanDerWaalsContact CZ-CE 3.5Å; F56-M60 PolarHBondContact O-N 2.83Å
57C31.5Very low33.7Very low100 Ų100106.1 Ų106.168%0.67657%0.573SS**Hα-helixtrans-78.5-24.9175.6-76.90000113.7A61C57-A61 VanDerWaalsContact O-CB 3.3Å; C57-A61 WeakPolarHBondContact O-CB 3.24Å; C57-A61 PolarHBondContact O-N 2.93Å; C57-A61 VanDerWaalsContact O-N 3.12Å
58R34.9Very low34Very low183 Ų183106.3 Ų106.369%0.69158%0.58SS**Hα-helixtrans-73.4-35.4176.6-166.8178.3-78.9-175.1-3.4111.8G54 Q62G54-R58 WeakPolarHBondContact O-CB 3.3Å; R58-Q62 WeakPolarHBondContact O-CB 3.47Å; R58-Q62 WeakPolarHBondContact O-CG 3.48Å; R58-Q62 PolarHBondContact O-N 3.26Å
59N37.2Very low34.3Very low84 Ų84106.8 Ų106.845%0.44959%0.585SS.*Hα-helixtrans-75.2-39.1174-90.111.3000112.6Q62 S63N59-Q62 PolarHBondContact O-N 3.48Å; N59-S63 VanDerWaalsContact O-CB 3.32Å; N59-S63 WeakPolarHBondContact O-CB 3.33Å; N59-S63 PolarHBondContact O-N 3.35Å; N59-S63 PolarHBondContact O-OG 2.95Å
60M30.9Very low34.6Very low88 Ų88103.7 Ų103.743%0.43357%0.566SS.*Hα-helixtrans-71.1-32.1177-104.7-162.4-104.700113.9F56 S63 L64F56-M60 HydrophobicContact CD1-CE 4.04Å; F56-M60 HydrophobicContact CE1-CE 3.3Å; F56-M60 HydrophobicContact CE2-CE 4.37Å; F56-M60 HydrophobicContact CZ-CE 3.5Å; F56-M60 VanDerWaalsContact CZ-CE 3.5Å; F56-M60 PolarHBondContact O-N 2.83Å; M60-S63 PolarHBondContact O-N 3.2Å; M60-L64 PolarHBondContact O-N 3.35Å; M60-L64 VanDerWaalsContact O-N 3.08Å
61A33Very low34.6Very low74 Ų7497.7 Ų97.761%0.61255%0.547SS*.Hα-helixtrans-74.4-23.1173.300000113.3C57C57-A61 VanDerWaalsContact O-CB 3.3Å; C57-A61 WeakPolarHBondContact O-CB 3.24Å; C57-A61 PolarHBondContact O-N 2.93Å; C57-A61 VanDerWaalsContact O-N 3.12Å
62Q38.4Very low34.6Very low140 Ų14096.2 Ų96.265%0.65454%0.544SS*.Hα-helixtrans-80.5-34.1167.5-78.3179.5-27.200112.2R58 N59R58-Q62 WeakPolarHBondContact O-CB 3.47Å; R58-Q62 WeakPolarHBondContact O-CG 3.48Å; R58-Q62 PolarHBondContact O-N 3.26Å; N59-Q62 PolarHBondContact O-N 3.48Å
63S34.1Very low35.3Very low81 Ų8196.2 Ų96.257%0.56654%0.538SS*.Hα-helixtrans-78-18.6180-64.30000114.5N59 M60N59-S63 VanDerWaalsContact O-CB 3.32Å; N59-S63 WeakPolarHBondContact O-CB 3.33Å; N59-S63 PolarHBondContact O-N 3.35Å; N59-S63 PolarHBondContact O-OG 2.95Å; M60-S63 PolarHBondContact O-N 3.2Å
64L31.2Very low36Very low103 Ų10395.2 Ų95.254%0.53953%0.529SS..SBendtrans-113.86.8176.6-64.9170.2000113.5M60 L66M60-L64 PolarHBondContact O-N 3.35Å; M60-L64 VanDerWaalsContact O-N 3.08Å; L64-L66 PolarHBondContact O-N 2.84Å; L64-L66 VanDerWaalsContact O-N 3.09Å
65G31.1Very low36.4Very low49 Ų4997.5 Ų97.551%0.50553%0.528SS..  trans-81.946.1173.700000114K67G65-K67 VanDerWaalsContact C-N 3.28Å; G65-K67 PolarHBondContact O-N 3.41Å
66L35Very low36.9Very low86 Ų8693.8 Ų93.845%0.4551%0.513SS..  trans-64.575.2-179.6-76.7154000112.6L64 R70L64-L66 PolarHBondContact O-N 2.84Å; L64-L66 VanDerWaalsContact O-N 3.09Å; L66-R70 VanDerWaalsContact CD2-CD 3.47Å; L66-R70 HydrophobicContact CD2-CG 4.21Å; L66-R70 VanDerWaalsContact CD2-NE 3.26Å
67K32.2Very low37.5Very low194 Ų19490.7 Ų90.784%0.84351%0.505SS*.SBendtrans170.8121.8166-95.3153.8-175.8175.20106.4G65G65-K67 VanDerWaalsContact C-N 3.28Å; G65-K67 PolarHBondContact O-N 3.41Å
68P37.7Very low38Very low86 Ų8687.9 Ų87.956%0.55849%0.489SS*.SBendcis-117.94.121.818.55.4000115.3S71 A72P68-S71 CarbonylContact O-C 3.59Å; P68-S71 WeakPolarHBondContact O-CA 3.44Å; P68-S71 WeakPolarHBondContact O-CB 3.22Å; P68-S71 PolarHBondContact O-N 2.98Å; P68-S71 PolarHBondContact O-OG 2.86Å; P68-A72 PolarHBondContact O-N 3.15Å
69I42.3Very low38.2Very low112 Ų11283.1 Ų83.157%0.57448%0.477SS*.Hα-helixtrans-70.4-38.1-169.5-58.2169000112.4S71 A72 A73I69-S71 PolarHBondContact O-N 3.34Å; I69-A72 PolarHBondContact O-N 3.43Å; I69-A73 PolarHBondContact O-N 3.24Å
70R41.6Very low38.6Very low107 Ų10782.9 Ų82.940%0.40448%0.475SS..Hα-helixtrans-61.4-33.5168.6-80.4-167.9178172.70.1111.9L66 L74L66-R70 VanDerWaalsContact CD2-CD 3.47Å; L66-R70 HydrophobicContact CD2-CG 4.21Å; L66-R70 VanDerWaalsContact CD2-NE 3.26Å; R70-L74 WeakPolarHBondContact O-CB 3.4Å; R70-L74 VanDerWaalsContact O-CD1 3.26Å; R70-L74 WeakPolarHBondContact O-CD1 3.16Å; R70-L74 WeakPolarHBondContact O-CG 3.43Å; R70-L74 PolarHBondContact O-N 3.46Å; R70-L74 VanDerWaalsContact O-N 3.14Å
71S39.8Very low39.3Very low62 Ų6282.2 Ų82.243%0.43448%0.476SS..Hα-helixtrans-75.9-32.8176.384.40000112.4P68 I69 L75P68-S71 CarbonylContact O-C 3.59Å; P68-S71 WeakPolarHBondContact O-CA 3.44Å; P68-S71 WeakPolarHBondContact O-CB 3.22Å; P68-S71 PolarHBondContact O-N 2.98Å; P68-S71 PolarHBondContact O-OG 2.86Å; I69-S71 PolarHBondContact O-N 3.34Å; S71-L75 WeakPolarHBondContact O-CA 3.13Å; S71-L75 WeakPolarHBondContact O-CB 3.17Å; S71-L75 WeakPolarHBondContact O-CD1 3.33Å; S71-L75 WeakPolarHBondContact O-CG 3.38Å; S71-L75 PolarHBondContact O-N 3.13Å
72A35.5Very low39.6Very low29 Ų2980.4 Ų80.424%0.2446%0.458CS..Hα-helixtrans-73-44.7178.800000111.5P68 I69 L75 I76P68-A72 PolarHBondContact O-N 3.15Å; I69-A72 PolarHBondContact O-N 3.43Å; A72-L75 CarbonylContact O-C 3.53Å; A72-L75 PolarHBondContact O-N 2.78Å; A72-I76 WeakPolarHBondContact O-CB 3.28Å; A72-I76 WeakPolarHBondContact O-CD1 3.28Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.08Å
73A43.4Very low39.6Very low60 Ų6076.3 Ų76.350%0.49645%0.446SS..Hα-helixtrans-65.3-39.317400000112I69 I76 A77I69-A73 PolarHBondContact O-N 3.24Å; A73-I76 PolarHBondContact O-N 3.26Å; A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 3.32Å
74L47.3Very low40.1Very low70 Ų7075.3 Ų75.337%0.36643%0.434SS..Hα-helixtrans-68.4-35.5172.1-71.3171.5000112.4R70 A78 L111R70-L74 WeakPolarHBondContact O-CB 3.4Å; R70-L74 VanDerWaalsContact O-CD1 3.26Å; R70-L74 WeakPolarHBondContact O-CD1 3.16Å; R70-L74 WeakPolarHBondContact O-CG 3.43Å; R70-L74 PolarHBondContact O-N 3.46Å; R70-L74 VanDerWaalsContact O-N 3.14Å; L74-A78 WeakPolarHBondContact O-CB 3.49Å; L74-A78 PolarHBondContact O-N 3.4Å; L74-L111 HydrophobicContact CD2-CD1 4.09Å; L74-L111 HydrophobicContact CD2-CD2 3.65Å
75L39.9Very low40.5Very low99 Ų9975 Ų7552%0.51843%0.426SS..Hα-helixtrans-66.7-44.7173.6-88.6160.3000110.6S71 A72 A78 L79S71-L75 WeakPolarHBondContact O-CA 3.13Å; S71-L75 WeakPolarHBondContact O-CB 3.17Å; S71-L75 WeakPolarHBondContact O-CD1 3.33Å; S71-L75 WeakPolarHBondContact O-CG 3.38Å; S71-L75 PolarHBondContact O-N 3.13Å; A72-L75 CarbonylContact O-C 3.53Å; A72-L75 PolarHBondContact O-N 2.78Å; L75-A78 PolarHBondContact O-N 3.4Å; L75-L79 WeakPolarHBondContact O-CA 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.25Å; L75-L79 VanDerWaalsContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CD1 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.09Å
76I45.2Very low40.9Very low68 Ų6873.9 Ų73.935%0.34941%0.412SS..Hα-helixtrans-67.4-44.4178.9-67.4162.4000109.8A72 A73 L79 L80A72-I76 WeakPolarHBondContact O-CB 3.28Å; A72-I76 WeakPolarHBondContact O-CD1 3.28Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.08Å; A73-I76 PolarHBondContact O-N 3.26Å; I76-L79 PolarHBondContact O-N 3.26Å; I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 VanDerWaalsContact O-CB 3.3Å; I76-L80 WeakPolarHBondContact O-CB 3.47Å; I76-L80 WeakPolarHBondContact O-CD1 3.41Å; I76-L80 WeakPolarHBondContact O-CG 3.15Å; I76-L80 PolarHBondContact O-N 2.96Å
77A45.5Very low41.1Very low30 Ų3073.2 Ų73.225%0.24841%0.408CS..Hα-helixtrans-61.9-44.6173.500000111.9A73 L80 V81 F107A73-A77 WeakPolarHBondContact O-CB 3.42Å; A73-A77 PolarHBondContact O-N 3.32Å; A77-L80 PolarHBondContact O-N 2.83Å; A77-V81 WeakPolarHBondContact O-CB 3.18Å; A77-V81 WeakPolarHBondContact O-CG2 3.33Å; A77-V81 PolarHBondContact O-N 3.12Å; A77-F107 HydrophobicContact CB-CZ 4.42Å
78A43.1Very low41.5Very low41 Ų4166.8 Ų66.834%0.33938%0.383SS..Hα-helixtrans-66.2-37.9176.300000112.3L74 L75 S82L74-A78 WeakPolarHBondContact O-CB 3.49Å; L74-A78 PolarHBondContact O-N 3.4Å; L75-A78 PolarHBondContact O-N 3.4Å; A78-S82 VanDerWaalsContact O-CB 3.29Å; A78-S82 WeakPolarHBondContact O-CB 3.3Å; A78-S82 PolarHBondContact O-N 3.09Å; A78-S82 PolarHBondContact O-OG 2.98Å
79L38.8Very low41.5Very low83 Ų8365.8 Ų65.844%0.43538%0.375SS..Hα-helixtrans-68.5-38.3177-75.5165.6000111.4L75 I76 S83L75-L79 WeakPolarHBondContact O-CA 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.25Å; L75-L79 VanDerWaalsContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CD1 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.09Å; I76-L79 PolarHBondContact O-N 3.26Å; L79-S83 WeakPolarHBondContact O-CA 3.38Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.62Å
80L44.4Very low41.4Very low78 Ų7868.3 Ų68.341%0.40838%0.384SS..Hα-helixtrans-72.8-35.7176.8-70.2168.1000112.1I76 A77 N84I76-L80 HydrophobicContact CG2-CD1 3.7Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 VanDerWaalsContact O-CB 3.3Å; I76-L80 WeakPolarHBondContact O-CB 3.47Å; I76-L80 WeakPolarHBondContact O-CD1 3.41Å; I76-L80 WeakPolarHBondContact O-CG 3.15Å; I76-L80 PolarHBondContact O-N 2.96Å; A77-L80 PolarHBondContact O-N 2.83Å; L80-N84 VanDerWaalsContact O-CB 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.48Å; L80-N84 PolarHBondContact O-N 3.01Å; L80-N84 PolarHBondContact O-OD1 3.12Å
81V45.7Very low41.5Very low74 Ų7468.5 Ų68.545%0.44840%0.397SS..Hα-helixtrans-74.1-40.5176.8172.40000111.6A77 N84 Y85A77-V81 WeakPolarHBondContact O-CB 3.18Å; A77-V81 WeakPolarHBondContact O-CG2 3.33Å; A77-V81 PolarHBondContact O-N 3.12Å; V81-N84 CarbonylContact O-C 3.14Å; V81-N84 WeakPolarHBondContact O-CA 3.33Å; V81-N84 PolarHBondContact O-N 3.29Å; V81-Y85 PolarHBondContact O-N 3.04Å
82S39.5Very low41.5Very low36 Ų3667.8 Ų67.825%0.25239%0.392SS..Hα-helixtrans-79-34.2179.753.80000113.1A78 N84 Y85A78-S82 VanDerWaalsContact O-CB 3.29Å; A78-S82 WeakPolarHBondContact O-CB 3.3Å; A78-S82 PolarHBondContact O-N 3.09Å; A78-S82 PolarHBondContact O-OG 2.98Å; S82-N84 PolarHBondContact O-N 2.97Å; S82-N84 VanDerWaalsContact O-N 3.16Å; S82-Y85 VanDerWaalsContact O-CB 3.25Å; S82-Y85 WeakPolarHBondContact O-CB 3.39Å; S82-Y85 PolarHBondContact O-N 3.47Å; S82-Y85 VanDerWaalsContact O-N 3.15Å
83S39Very low41.3Very low55 Ų5569.5 Ų69.539%0.38541%0.412SS..THydrogen-bonded Turntrans-69.54.1161.8-170.40000111.6L79 T257 P258L79-S83 WeakPolarHBondContact O-CA 3.38Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.62Å; S83-T257 CarbonylContact C-O 3.54Å; S83-T257 WeakPolarHBondContact CA-O 3.38Å; S83-T257 CarbonylContact O-C 3.54Å; S83-T257 VanDerWaalsContact O-O 3.06Å; S83-P258 VanDerWaalsContact C-CB 3.4Å; S83-P258 WeakPolarHBondContact O-CA 2.8Å; S83-P258 WeakPolarHBondContact O-CB 3.21Å
84N44.9Very low41.2Very low59 Ų5972.9 Ų72.932%0.31642%0.422SS..THydrogen-bonded Turntrans-109.42.2169.1-74.96.3000114.1L80 V81 S82 P258 M259L80-N84 VanDerWaalsContact O-CB 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.48Å; L80-N84 PolarHBondContact O-N 3.01Å; L80-N84 PolarHBondContact O-OD1 3.12Å; V81-N84 CarbonylContact O-C 3.14Å; V81-N84 WeakPolarHBondContact O-CA 3.33Å; V81-N84 PolarHBondContact O-N 3.29Å; S82-N84 PolarHBondContact O-N 2.97Å; S82-N84 VanDerWaalsContact O-N 3.16Å; N84-P258 VanDerWaalsContact C-CG 3.43Å; N84-P258 HydrophobicContact CB-CB 4.24Å; N84-P258 WeakPolarHBondContact O-CB 3.21Å; N84-P258 WeakPolarHBondContact O-CG 3.5Å; N84-M259 PolarHBondContact ND2-O 2.94Å; N84-M259 PolarHBondContact OD1-N 3.45Å; N84-M259 PolarHBondContact OD1-O 3.48Å
85Y39.6Very low41Very low98 Ų9874.8 Ų74.838%0.38443%0.432SS..THydrogen-bonded Turntrans-101.6-39.1-167.5-159.1-89.2000116.9V81 S82 V89 L100V81-Y85 PolarHBondContact O-N 3.04Å; S82-Y85 VanDerWaalsContact O-CB 3.25Å; S82-Y85 WeakPolarHBondContact O-CB 3.39Å; S82-Y85 PolarHBondContact O-N 3.47Å; S82-Y85 VanDerWaalsContact O-N 3.15Å; Y85-V89 HydrophobicContact CD1-CG2 4.1Å; Y85-V89 HydrophobicContact CE1-CG2 4.01Å; Y85-V89 VanDerWaalsContact O-CG2 3.3Å; Y85-V89 WeakPolarHBondContact O-CG2 3.45Å; Y85-V89 PolarHBondContact O-N 3.49Å; Y85-L100 HydrophobicContact CD1-CD1 4.45Å; Y85-L100 HydrophobicContact CD2-CD1 3.83Å; Y85-L100 HydrophobicContact CD2-CD2 3.66Å; Y85-L100 HydrophobicContact CD2-CG 4.21Å; Y85-L100 HydrophobicContact CE1-CD1 4.11Å; Y85-L100 HydrophobicContact CE2-CB 3.77Å; Y85-L100 HydrophobicContact CE2-CD1 3.48Å; Y85-L100 VanDerWaalsContact CE2-CD1 3.48Å; Y85-L100 HydrophobicContact CE2-CD2 3.7Å; Y85-L100 HydrophobicContact CE2-CG 3.82Å; Y85-L100 HydrophobicContact CG-CD1 4.3Å
86A38.3Very low41Very low24 Ų2470.8 Ų70.820%0.19841%0.412CS..THydrogen-bonded Turntrans-77.1-8-172.300000121.7
87L39.9Very low40.8Very low73 Ų7370.5 Ų70.538%0.38241%0.414SS..THydrogen-bonded Turntrans-101.7-37.9-176.4-119.375.1000104.3E90 T91 P258 M259L87-E90 PolarHBondContact O-N 2.71Å; L87-T91 PolarHBondContact O-N 3.26Å; L87-T91 PolarHBondContact O-OG1 3.35Å; L87-P258 VanDerWaalsContact CA-CG 3.46Å; L87-P258 HydrophobicContact CB-CB 4.48Å; L87-P258 HydrophobicContact CB-CG 3.32Å; L87-P258 VanDerWaalsContact CB-O 3.32Å; L87-P258 WeakPolarHBondContact CB-O 2.95Å; L87-P258 WeakPolarHBondContact CD1-O 3.48Å; L87-P258 WeakPolarHBondContact CD2-O 3.3Å; L87-P258 HydrophobicContact CG-CG 4.42Å; L87-P258 WeakPolarHBondContact CG-O 3.31Å; L87-M259 HydrophobicContact CD2-CE 4.09Å; L87-M259 HydrophobicContact CD2-CG 3.85Å; L87-M259 HydrophobicContact CD2-SD 4.26Å
88L39.7Very low40.8Very low59 Ų5976.4 Ų76.431%0.30943%0.434SS..Hα-helixtrans-67.8-39.4177.6-134.787.1000110.5C92 V96L88-C92 PolarHBondContact O-N 2.85Å; L88-V96 HydrophobicContact CB-CG1 4.04Å; L88-V96 HydrophobicContact CD2-CG1 3.87Å; L88-V96 HydrophobicContact CD2-CG2 3.99Å; L88-V96 HydrophobicContact CG-CG1 4.22Å; L88-V96 HydrophobicContact CG-CG2 4.13Å
89V38.6Very low40.7Very low64 Ų6480.1 Ų80.139%0.38844%0.44SS..Hα-helixtrans-71.7-33176.91750000112.2Y85 V96 L100Y85-V89 HydrophobicContact CD1-CG2 4.1Å; Y85-V89 HydrophobicContact CE1-CG2 4.01Å; Y85-V89 VanDerWaalsContact O-CG2 3.3Å; Y85-V89 WeakPolarHBondContact O-CG2 3.45Å; Y85-V89 PolarHBondContact O-N 3.49Å; V89-V96 HydrophobicContact CG2-CG1 3.92Å; V89-L100 HydrophobicContact CG2-CD1 3.67Å
90E40.9Very low40.9Very low166 Ų16677.1 Ų77.178%0.77642%0.424SS*.Hα-helixtrans-75.4-22.1-178.7-158.4173.4-161.200113L87L87-E90 PolarHBondContact O-N 2.71Å
91T42.1Very low41.2Very low110 Ų11077.6 Ų77.668%0.67543%0.427SS*.Hα-helixtrans-107.9-12.9-175.947.80000115.4L87L87-T91 PolarHBondContact O-N 3.26Å; L87-T91 PolarHBondContact O-OG1 3.35Å
92C39.7Very low41.1Very low48 Ų4877 Ų7732%0.32443%0.426SS..SBendtrans-141.340-169.6-78.10000114.6L88 N94 N95 V96L88-C92 PolarHBondContact O-N 2.85Å; C92-N94 PolarHBondContact O-N 2.88Å; C92-N95 PolarHBondContact O-N 2.92Å; C92-V96 HydrophobicContact CB-CB 4.3Å; C92-V96 HydrophobicContact CB-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.13Å
93G31.8Very low41.5Very low64 Ų6478 Ų7866%0.6643%0.43SS*.THydrogen-bonded Turntrans-43.2127.7-176.300000115.5
94N41.6Very low42.1Very low131 Ų13179.2 Ų79.270%0.70143%0.432SS*.THydrogen-bonded Turntrans87.4-39.5-177.5-73.3-6.8000118.9C92C92-N94 PolarHBondContact O-N 2.88Å
95N44Very low42.5Very low110 Ų11081.5 Ų81.559%0.58844%0.444SS*.Hα-helixtrans-84.4-31.3179.1-78.7-19.7000112.3C92 K98 Y99C92-N95 PolarHBondContact O-N 2.92Å; N95-K98 PolarHBondContact O-N 2.96Å; N95-Y99 PolarHBondContact O-N 3.49Å
96V38.8Very low43.1Very low15 Ų1584.5 Ų84.59%0.09146%0.455CS..Hα-helixtrans-67.1-36.3176.41630000112L88 V89 C92 K98 Y99 L100L88-V96 HydrophobicContact CB-CG1 4.04Å; L88-V96 HydrophobicContact CD2-CG1 3.87Å; L88-V96 HydrophobicContact CD2-CG2 3.99Å; L88-V96 HydrophobicContact CG-CG1 4.22Å; L88-V96 HydrophobicContact CG-CG2 4.13Å; V89-V96 HydrophobicContact CG2-CG1 3.92Å; C92-V96 HydrophobicContact CB-CB 4.3Å; C92-V96 HydrophobicContact CB-CG2 3.34Å; C92-V96 PolarHBondContact O-N 3.13Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 2.87Å; V96-Y99 PolarHBondContact O-N 3.5Å; V96-L100 HydrophobicContact CG1-CD1 3.29Å; V96-L100 HydrophobicContact CG1-CG 3.92Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 2.79Å
97T41.8Very low43.7Very low62 Ų6287.3 Ų87.338%0.3846%0.463SS..Hα-helixtrans-59.9-43.2178.3-19.90000111.9L100 D101T97-L100 PolarHBondContact O-N 3.41Å; T97-D101 VanDerWaalsContact O-CG 3.26Å; T97-D101 PolarHBondContact O-N 2.97Å
98K45.5Very low44.5Very low155 Ų15589.3 Ų89.367%0.67447%0.465SS*.Hα-helixtrans-67.5-37.5176.5-71.2-176177.4178.40113.3N95 V96 L100 C102N95-K98 PolarHBondContact O-N 2.96Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 2.87Å; K98-L100 VanDerWaalsContact C-N 3.33Å; K98-C102 WeakPolarHBondContact O-CB 3.05Å; K98-C102 PolarHBondContact O-N 3.43Å
99Y39.9Very low45.5Very low119 Ų11989 Ų8947%0.46747%0.472SS..Hα-helixtrans-65.5-41.3174.8176.5-99.1000110.8N95 V96 C102 V103N95-Y99 PolarHBondContact O-N 3.49Å; V96-Y99 PolarHBondContact O-N 3.5Å; Y99-C102 WeakPolarHBondContact O-CB 3.2Å; Y99-C102 PolarHBondContact O-N 3.31Å; Y99-V103 HydrophobicContact CD1-CG2 4.14Å; Y99-V103 HydrophobicContact CE1-CG2 3.69Å; Y99-V103 HydrophobicContact CE2-CG2 4.2Å; Y99-V103 WeakPolarHBondContact O-CG2 3.06Å; Y99-V103 PolarHBondContact O-N 3.25Å
100L43.9Very low46.2Very low20 Ų2088.5 Ų88.511%0.10547%0.474CS..Hα-helixtrans-68.3-40.9179.2-70.3169.3000112.2Y85 V89 V96 T97 K98 C102 V103 D104Y85-L100 HydrophobicContact CD1-CD1 4.45Å; Y85-L100 HydrophobicContact CD2-CD1 3.83Å; Y85-L100 HydrophobicContact CD2-CD2 3.66Å; Y85-L100 HydrophobicContact CD2-CG 4.21Å; Y85-L100 HydrophobicContact CE1-CD1 4.11Å; Y85-L100 HydrophobicContact CE2-CB 3.77Å; Y85-L100 HydrophobicContact CE2-CD1 3.48Å; Y85-L100 VanDerWaalsContact CE2-CD1 3.48Å; Y85-L100 HydrophobicContact CE2-CD2 3.7Å; Y85-L100 HydrophobicContact CE2-CG 3.82Å; Y85-L100 HydrophobicContact CG-CD1 4.3Å; V89-L100 HydrophobicContact CG2-CD1 3.67Å; V96-L100 HydrophobicContact CG1-CD1 3.29Å; V96-L100 HydrophobicContact CG1-CG 3.92Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 2.79Å; T97-L100 PolarHBondContact O-N 3.41Å; K98-L100 VanDerWaalsContact C-N 3.33Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 PolarHBondContact O-N 3.45Å; L100-V103 PolarHBondContact O-N 3.35Å; L100-D104 WeakPolarHBondContact O-CB 3.41Å; L100-D104 PolarHBondContact O-N 3.01Å
101D49.4Very low46.6Very low88 Ų8882.2 Ų82.247%0.47145%0.446SS..Hα-helixtrans-58.8-40.5172-69-22.2000110.9T97 D105T97-D101 VanDerWaalsContact O-CG 3.26Å; T97-D101 PolarHBondContact O-N 2.97Å; D101-D105 WeakPolarHBondContact O-CB 3.29Å; D101-D105 PolarHBondContact O-N 2.91Å
102C44.9Very low47.3Very low61 Ų6183 Ų8341%0.41244%0.442SS..Hα-helixtrans-67.5-40177.2-1770000113.2K98 Y99 L100 R106K98-C102 WeakPolarHBondContact O-CB 3.05Å; K98-C102 PolarHBondContact O-N 3.43Å; Y99-C102 WeakPolarHBondContact O-CB 3.2Å; Y99-C102 PolarHBondContact O-N 3.31Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 PolarHBondContact O-N 3.45Å; C102-R106 WeakPolarHBondContact O-CB 3.26Å; C102-R106 WeakPolarHBondContact O-CG 3.1Å; C102-R106 PolarHBondContact O-N 2.98Å
103V47.4Very low48.3Very low56 Ų5687.1 Ų87.134%0.33946%0.456SS..Hα-helixtrans-68.6-42176.7171.60000110.7Y99 L100 R106 F107Y99-V103 HydrophobicContact CD1-CG2 4.14Å; Y99-V103 HydrophobicContact CE1-CG2 3.69Å; Y99-V103 HydrophobicContact CE2-CG2 4.2Å; Y99-V103 WeakPolarHBondContact O-CG2 3.06Å; Y99-V103 PolarHBondContact O-N 3.25Å; L100-V103 PolarHBondContact O-N 3.35Å; V103-R106 PolarHBondContact O-N 3.22Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.7Å
104D50.5Low49.5Very low82 Ų8289.9 Ų89.944%0.43945%0.452SS..Hα-helixtrans-61.5-52.1176.6-16045000109.9L100 R106 F107 W108L100-D104 WeakPolarHBondContact O-CB 3.41Å; L100-D104 PolarHBondContact O-N 3.01Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 2.89Å; D104-F107 PolarHBondContact O-N 3.26Å; D104-W108 PolarHBondContact O-N 3.39Å; D104-W108 VanDerWaalsContact OD1-CD1 3.31Å; D104-W108 PolarHBondContact OD1-NE1 3.33Å
105D54.1Low49.8Very low107 Ų10787.3 Ų87.357%0.57244%0.437SS*.Hα-helixtrans-57.9-42.5178.3-78.5-18.5000112.5D101 A109D101-D105 WeakPolarHBondContact O-CB 3.29Å; D101-D105 PolarHBondContact O-N 2.91Å; D105-A109 VanDerWaalsContact O-CB 3.25Å; D105-A109 WeakPolarHBondContact O-CB 2.98Å; D105-A109 PolarHBondContact O-N 3.34Å
106R52.8Low50.7Low160 Ų16087.2 Ų87.260%0.60443%0.433SS*.Hα-helixtrans-72-38.8178.3-80.2-168.6178.1-170.82.3113.3C102 V103 D104 A109 A110C102-R106 WeakPolarHBondContact O-CB 3.26Å; C102-R106 WeakPolarHBondContact O-CG 3.1Å; C102-R106 PolarHBondContact O-N 2.98Å; V103-R106 PolarHBondContact O-N 3.22Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 2.89Å; R106-A109 PolarHBondContact O-N 2.78Å; R106-A110 VanDerWaalsContact O-CB 3.3Å; R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 2.88Å
107F50.3Low51.7Low84 Ų8490.4 Ų90.437%0.36845%0.453SS..Hα-helixtrans-64.2-47177.5177.3-95.1000110.3A77 V103 D104 A110 L111A77-F107 HydrophobicContact CB-CZ 4.42Å; V103-F107 WeakPolarHBondContact O-CB 3.49Å; V103-F107 PolarHBondContact O-N 2.7Å; D104-F107 PolarHBondContact O-N 3.26Å; F107-A110 PolarHBondContact O-N 3.39Å; F107-L111 HydrophobicContact CE1-CD2 4.31Å; F107-L111 VanDerWaalsContact O-CB 3.25Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 PolarHBondContact O-N 3.33Å
108W57.2Low52.2Low114 Ų11491.5 Ų91.543%0.43245%0.453SS..Hα-helixtrans-63-43.4176.2-72.3115.4000112.1D104 A110 L111 E112D104-W108 PolarHBondContact O-N 3.39Å; D104-W108 VanDerWaalsContact OD1-CD1 3.31Å; D104-W108 PolarHBondContact OD1-NE1 3.33Å; W108-A110 PolarHBondContact O-N 3.29Å; W108-L111 HydrophobicContact CE3-CD2 3.88Å; W108-L111 HydrophobicContact CZ3-CD2 3.73Å; W108-L111 PolarHBondContact O-N 3.45Å; W108-E112 WeakPolarHBondContact O-CB 3.42Å; W108-E112 WeakPolarHBondContact O-CG 3.27Å; W108-E112 PolarHBondContact O-N 3.31Å
109A60.4Low52.5Low53 Ų5389.1 Ų89.144%0.43845%0.446SS..Hα-helixtrans-62.2-43.4176.600000112.7D105 R106 Q113D105-A109 VanDerWaalsContact O-CB 3.25Å; D105-A109 WeakPolarHBondContact O-CB 2.98Å; D105-A109 PolarHBondContact O-N 3.34Å; R106-A109 PolarHBondContact O-N 2.78Å; A109-Q113 WeakPolarHBondContact O-CB 3.09Å; A109-Q113 PolarHBondContact O-N 2.89Å
110A53.1Low53.8Low54 Ų5488.5 Ų88.545%0.44645%0.446SS..Hα-helixtrans-66.9-39.8177.400000111.9R106 F107 W108 Q113 Q114R106-A110 VanDerWaalsContact O-CB 3.3Å; R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 2.88Å; F107-A110 PolarHBondContact O-N 3.39Å; W108-A110 PolarHBondContact O-N 3.29Å; A110-Q113 PolarHBondContact O-N 3.47Å; A110-Q114 WeakPolarHBondContact O-CB 3.23Å; A110-Q114 PolarHBondContact O-N 2.96Å
111L49.4Very low54.6Low34 Ų3491.7 Ų91.718%0.17846%0.462CS..Hα-helixtrans-64.7-46.7176.9-176.270.8000111.3L74 F107 W108 Q113 Q114 M115L74-L111 HydrophobicContact CD2-CD1 4.09Å; L74-L111 HydrophobicContact CD2-CD2 3.65Å; F107-L111 HydrophobicContact CE1-CD2 4.31Å; F107-L111 VanDerWaalsContact O-CB 3.25Å; F107-L111 WeakPolarHBondContact O-CB 3.46Å; F107-L111 PolarHBondContact O-N 3.33Å; W108-L111 HydrophobicContact CE3-CD2 3.88Å; W108-L111 HydrophobicContact CZ3-CD2 3.73Å; W108-L111 PolarHBondContact O-N 3.45Å; L111-Q113 PolarHBondContact O-N 2.86Å; L111-Q114 PolarHBondContact O-N 3.43Å; L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 3.42Å
112E56.3Low54.6Low127 Ų12789.5 Ų89.559%0.59345%0.451SS*.Hα-helixtrans-58.6-47.4175.6-78.6-179.5178.100111.1W108 Q114 M115 E116W108-E112 WeakPolarHBondContact O-CB 3.42Å; W108-E112 WeakPolarHBondContact O-CG 3.27Å; W108-E112 PolarHBondContact O-N 3.31Å; E112-Q114 PolarHBondContact O-N 2.91Å; E112-M115 PolarHBondContact O-N 3.43Å; E112-E116 WeakPolarHBondContact O-CB 3.16Å; E112-E116 PolarHBondContact O-N 3.21Å
113Q61.9Low55.1Low133 Ų13390.8 Ų90.862%0.62145%0.45SS*.Hα-helixtrans-61.7-41.5178-172-179.48.900112.3A109 A110 L111 E116 T117A109-Q113 WeakPolarHBondContact O-CB 3.09Å; A109-Q113 PolarHBondContact O-N 2.89Å; A110-Q113 PolarHBondContact O-N 3.47Å; L111-Q113 PolarHBondContact O-N 2.86Å; Q113-E116 PolarHBondContact O-N 2.81Å; Q113-T117 WeakPolarHBondContact O-CB 3.39Å; Q113-T117 PolarHBondContact O-N 2.74Å; Q113-T117 PolarHBondContact O-OG1 3.34Å
114Q55.7Low55.9Low123 Ų12393.6 Ų93.658%0.57546%0.46SS*.Hα-helixtrans-66.7-43.5177.1-174.1176.7-5.600111.1A110 L111 E112 E116 T117 E118A110-Q114 WeakPolarHBondContact O-CB 3.23Å; A110-Q114 PolarHBondContact O-N 2.96Å; L111-Q114 PolarHBondContact O-N 3.43Å; E112-Q114 PolarHBondContact O-N 2.91Å; Q114-E116 VanDerWaalsContact C-N 3.34Å; Q114-E116 PolarHBondContact O-N 3.14Å; Q114-T117 PolarHBondContact O-N 2.76Å; Q114-E118 WeakPolarHBondContact O-CG 3.33Å; Q114-E118 PolarHBondContact O-N 3.49Å
115M48.7Very low56.1Low77 Ų7795.8 Ų95.838%0.37947%0.468SS..Hα-helixtrans-62.2-41.3176-70.4-157.4-36.700112L111 E112 T117 E118 M119L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 3.42Å; E112-M115 PolarHBondContact O-N 3.43Å; M115-T117 VanDerWaalsContact C-N 3.34Å; M115-E118 PolarHBondContact O-N 3.16Å; M115-M119 WeakPolarHBondContact O-CB 3.43Å; M115-M119 VanDerWaalsContact O-CG 3.3Å; M115-M119 WeakPolarHBondContact O-CG 3.25Å; M115-M119 PolarHBondContact O-N 2.95Å
116E61.7Low55.8Low107 Ų10792.7 Ų92.750%0.545%0.452SS..Hα-helixtrans-64-40.7177.3-165.1-172.5156.800111.4E112 Q113 Q114 M119 K120E112-E116 WeakPolarHBondContact O-CB 3.16Å; E112-E116 PolarHBondContact O-N 3.21Å; Q113-E116 PolarHBondContact O-N 2.81Å; Q114-E116 VanDerWaalsContact C-N 3.34Å; Q114-E116 PolarHBondContact O-N 3.14Å; E116-M119 PolarHBondContact O-N 2.88Å; E116-K120 WeakPolarHBondContact O-CG 3.46Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 WeakPolarHBondContact OE1-CE 3.35Å; E116-K120 IonicContact OE1-NZ 2.7Å; E116-K120 PolarHBondContact OE1-NZ 2.9Å
117T61Low56.1Low83 Ų8387.9 Ų87.951%0.50944%0.441SS..Hα-helixtrans-63.9-45.9176.7-55.70000111.5Q113 Q114 M115 K120 N121Q113-T117 WeakPolarHBondContact O-CB 3.39Å; Q113-T117 PolarHBondContact O-N 2.74Å; Q113-T117 PolarHBondContact O-OG1 3.34Å; Q114-T117 PolarHBondContact O-N 2.76Å; M115-T117 VanDerWaalsContact C-N 3.34Å; T117-K120 PolarHBondContact O-N 2.83Å; T117-N121 WeakPolarHBondContact O-CB 3.41Å; T117-N121 PolarHBondContact O-N 3.44Å
118E52.9Low56.5Low84 Ų8490 Ų9039%0.39345%0.452SS..Hα-helixtrans-64.7-39.9176.3-70.7-64.2153.900111.8Q114 M115 N121 I122Q114-E118 WeakPolarHBondContact O-CG 3.33Å; Q114-E118 PolarHBondContact O-N 3.49Å; M115-E118 PolarHBondContact O-N 3.16Å; E118-N121 PolarHBondContact O-N 3.24Å; E118-I122 WeakPolarHBondContact O-CB 3.43Å; E118-I122 WeakPolarHBondContact O-CD1 3.35Å; E118-I122 WeakPolarHBondContact O-CG1 3.49Å; E118-I122 PolarHBondContact O-N 2.75Å
119M51.2Low56.1Low105 Ų10586.3 Ų86.352%0.51744%0.443SS..Hα-helixtrans-63-41.9175.5-75.2-175.689.100111.8M115 E116 I122 E123M115-M119 WeakPolarHBondContact O-CB 3.43Å; M115-M119 VanDerWaalsContact O-CG 3.3Å; M115-M119 WeakPolarHBondContact O-CG 3.25Å; M115-M119 PolarHBondContact O-N 2.95Å; E116-M119 PolarHBondContact O-N 2.88Å; M119-I122 PolarHBondContact O-N 3.43Å; M119-E123 WeakPolarHBondContact O-CB 3Å; M119-E123 PolarHBondContact O-N 3.49Å
120K66.6Low55.8Low107 Ų10787.5 Ų87.547%0.46544%0.439SS..Hα-helixtrans-63.5-43.3174-75.4176.4-1751630112.1E116 T117 I122 E123 E124E116-K120 WeakPolarHBondContact O-CG 3.46Å; E116-K120 PolarHBondContact O-N 2.91Å; E116-K120 WeakPolarHBondContact OE1-CE 3.35Å; E116-K120 IonicContact OE1-NZ 2.7Å; E116-K120 PolarHBondContact OE1-NZ 2.9Å; T117-K120 PolarHBondContact O-N 2.83Å; K120-I122 VanDerWaalsContact C-N 3.35Å; K120-I122 PolarHBondContact O-N 3.5Å; K120-E123 PolarHBondContact O-N 2.87Å; K120-E124 WeakPolarHBondContact O-CG 3.34Å; K120-E124 PolarHBondContact O-N 3.28Å
121N60.7Low56.5Low86 Ų8689 Ų8946%0.4644%0.443SS..Hα-helixtrans-62.9-41.6177.9-167.635.6000111.7T117 E118 E124 E125T117-N121 WeakPolarHBondContact O-CB 3.41Å; T117-N121 PolarHBondContact O-N 3.44Å; E118-N121 PolarHBondContact O-N 3.24Å; N121-E124 PolarHBondContact O-N 3.47Å; N121-E125 WeakPolarHBondContact O-CB 3.36Å; N121-E125 PolarHBondContact O-N 2.94Å
122I49.8Very low57.2Low43 Ų4391.1 Ų91.122%0.22146%0.464CS..Hα-helixtrans-64.7-42.6173.8-66.1164.2000110.7E118 M119 K120 E124 E125 V126 M140E118-I122 WeakPolarHBondContact O-CB 3.43Å; E118-I122 WeakPolarHBondContact O-CD1 3.35Å; E118-I122 WeakPolarHBondContact O-CG1 3.49Å; E118-I122 PolarHBondContact O-N 2.75Å; M119-I122 PolarHBondContact O-N 3.43Å; K120-I122 VanDerWaalsContact C-N 3.35Å; K120-I122 PolarHBondContact O-N 3.5Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 2.97Å; I122-E125 PolarHBondContact O-N 3.46Å; I122-V126 HydrophobicContact CG2-CG2 4.16Å; I122-V126 VanDerWaalsContact O-CB 3.31Å; I122-V126 WeakPolarHBondContact O-CB 3.44Å; I122-V126 WeakPolarHBondContact O-CG2 3.29Å; I122-V126 PolarHBondContact O-N 3.34Å; I122-M140 HydrophobicContact CG2-CE 4.15Å
123E56.1Low57.2Low87 Ų8790.4 Ų90.441%0.40746%0.457SS..Hα-helixtrans-62.4-40.9177.3-173.4173.7-163.700112.1M119 K120 T127 M140M119-E123 WeakPolarHBondContact O-CB 3Å; M119-E123 PolarHBondContact O-N 3.49Å; K120-E123 PolarHBondContact O-N 2.87Å; E123-T127 VanDerWaalsContact O-CB 3.25Å; E123-T127 WeakPolarHBondContact O-CB 3.22Å; E123-T127 PolarHBondContact O-N 3.43Å; E123-T127 PolarHBondContact O-OG1 3.47Å; E123-M140 HydrophobicContact CB-CE 3.91Å; E123-M140 HydrophobicContact CG-CE 4.29Å
124E64.6Low57.6Low116 Ų11691.9 Ų91.954%0.54247%0.469SS..Hα-helixtrans-64.9-45.6173.4-75.4-178.8-172.700112K120 N121 I122 T127 Q128K120-E124 WeakPolarHBondContact O-CG 3.34Å; K120-E124 PolarHBondContact O-N 3.28Å; N121-E124 PolarHBondContact O-N 3.47Å; I122-E124 VanDerWaalsContact C-N 3.34Å; I122-E124 PolarHBondContact O-N 2.97Å; E124-T127 PolarHBondContact O-N 2.7Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 VanDerWaalsContact O-CG 3.29Å; E124-Q128 WeakPolarHBondContact O-CG 3.13Å; E124-Q128 PolarHBondContact O-N 2.88Å
125E54.3Low57.8Low128 Ų12888 Ų8860%0.59846%0.456SS*.Hα-helixtrans-63-43.9178.2-171.1-178.9177.100111.6N121 I122 Q128 C129N121-E125 WeakPolarHBondContact O-CB 3.36Å; N121-E125 PolarHBondContact O-N 2.94Å; I122-E125 PolarHBondContact O-N 3.46Å; E125-Q128 PolarHBondContact O-N 3.32Å; E125-C129 WeakPolarHBondContact O-CB 3.3Å; E125-C129 PolarHBondContact O-N 3.5Å
126V47.2Very low58.5Low41 Ų4190.7 Ų90.725%0.24848%0.477CS..Hα-helixtrans-60.3-49.7173.8170.30000109.5I122 Q128 C129 F130 A137 M140I122-V126 HydrophobicContact CG2-CG2 4.16Å; I122-V126 VanDerWaalsContact O-CB 3.31Å; I122-V126 WeakPolarHBondContact O-CB 3.44Å; I122-V126 WeakPolarHBondContact O-CG2 3.29Å; I122-V126 PolarHBondContact O-N 3.34Å; V126-Q128 PolarHBondContact O-N 3.01Å; V126-C129 WeakPolarHBondContact O-CB 3.45Å; V126-C129 PolarHBondContact O-N 2.91Å; V126-C129 VanDerWaalsContact O-N 3.13Å; V126-F130 HydrophobicContact CG1-CD2 3.62Å; V126-F130 HydrophobicContact CG1-CE2 3.62Å; V126-F130 VanDerWaalsContact O-CD2 3.24Å; V126-F130 WeakPolarHBondContact O-CD2 3.48Å; V126-F130 PolarHBondContact O-N 3.28Å; V126-A137 HydrophobicContact CG1-CB 4.43Å; V126-M140 HydrophobicContact CG2-CE 4.48Å
127T58.7Low58Low60 Ų6086.7 Ų86.737%0.36846%0.462SS..Hα-helixtrans-60.7-43.5179.6-59.10000112E123 E124 C129 F130 T131E123-T127 VanDerWaalsContact O-CB 3.25Å; E123-T127 WeakPolarHBondContact O-CB 3.22Å; E123-T127 PolarHBondContact O-N 3.43Å; E123-T127 PolarHBondContact O-OG1 3.47Å; E124-T127 PolarHBondContact O-N 2.7Å; T127-C129 VanDerWaalsContact C-N 3.32Å; T127-C129 PolarHBondContact O-N 2.81Å; T127-F130 PolarHBondContact O-N 3.46Å; T127-T131 HydrophobicContact CG2-CG2 4.29Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 VanDerWaalsContact O-CG2 3.28Å; T127-T131 WeakPolarHBondContact O-CG2 3.29Å; T127-T131 PolarHBondContact O-N 2.78Å; T127-T131 PolarHBondContact O-OG1 2.92Å
128Q59.9Low57.6Low127 Ų12787.1 Ų87.159%0.59347%0.466SS*.Hα-helixtrans-60.9-41.7174.6-76178.918.200111.6E124 E125 V126 T131 A132E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 VanDerWaalsContact O-CG 3.29Å; E124-Q128 WeakPolarHBondContact O-CG 3.13Å; E124-Q128 PolarHBondContact O-N 2.88Å; E125-Q128 PolarHBondContact O-N 3.32Å; V126-Q128 PolarHBondContact O-N 3.01Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.48Å; Q128-T131 PolarHBondContact O-N 2.92Å; Q128-T131 PolarHBondContact O-OG1 3.41Å; Q128-A132 WeakPolarHBondContact O-CB 3.27Å; Q128-A132 PolarHBondContact O-N 2.9Å
129C49Very low57.7Low38 Ų3890.7 Ų90.726%0.25748%0.483SS..Hα-helixtrans-61.6-49.2175.8-1660000111.3E125 V126 T127 T131 A132 Y133E125-C129 WeakPolarHBondContact O-CB 3.3Å; E125-C129 PolarHBondContact O-N 3.5Å; V126-C129 WeakPolarHBondContact O-CB 3.45Å; V126-C129 PolarHBondContact O-N 2.91Å; V126-C129 VanDerWaalsContact O-N 3.13Å; T127-C129 VanDerWaalsContact C-N 3.32Å; T127-C129 PolarHBondContact O-N 2.81Å; C129-T131 PolarHBondContact O-N 2.81Å; C129-A132 PolarHBondContact O-N 2.94Å; C129-Y133 VanDerWaalsContact O-CD2 3.22Å; C129-Y133 WeakPolarHBondContact O-CD2 3.27Å
130F52.2Low57.6Low78 Ų7888.9 Ų88.934%0.34247%0.474SS..Hα-helixtrans-63-44.4178.9-84.3-84.3000112V126 T127 A132 Y133 D134 C135 A137V126-F130 HydrophobicContact CG1-CD2 3.62Å; V126-F130 HydrophobicContact CG1-CE2 3.62Å; V126-F130 VanDerWaalsContact O-CD2 3.24Å; V126-F130 WeakPolarHBondContact O-CD2 3.48Å; V126-F130 PolarHBondContact O-N 3.28Å; T127-F130 PolarHBondContact O-N 3.46Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 3.3Å; F130-Y133 CarbonylContact O-C 3.54Å; F130-Y133 PolarHBondContact O-N 3Å; F130-Y133 VanDerWaalsContact O-N 3.13Å; F130-D134 PolarHBondContact O-N 2.89Å; F130-C135 CarbonylContact C-O 3.13Å; F130-C135 HydrophobicContact CB-CB 4.31Å; F130-C135 WeakPolarHBondContact CB-O 3.35Å; F130-C135 HydrophobicContact CD1-CB 3.63Å; F130-C135 HydrophobicContact CG-CB 4.46Å; F130-C135 WeakPolarHBondContact O-CA 3.25Å; F130-C135 WeakPolarHBondContact O-CB 3.36Å; F130-C135 PolarHBondContact O-N 2.85Å; F130-A137 HydrophobicContact CB-CB 3.9Å; F130-A137 HydrophobicContact CD2-CB 3.76Å; F130-A137 HydrophobicContact CG-CB 3.9Å
131T68.2Low57Low86 Ų8687.1 Ų87.153%0.52849%0.486SS..Hα-helixtrans-64.2-33.8177.954.40000113.2T127 Q128 C129 Y133 D134T127-T131 HydrophobicContact CG2-CG2 4.29Å; T127-T131 WeakPolarHBondContact O-CB 3.47Å; T127-T131 VanDerWaalsContact O-CG2 3.28Å; T127-T131 WeakPolarHBondContact O-CG2 3.29Å; T127-T131 PolarHBondContact O-N 2.78Å; T127-T131 PolarHBondContact O-OG1 2.92Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.48Å; Q128-T131 PolarHBondContact O-N 2.92Å; Q128-T131 PolarHBondContact O-OG1 3.41Å; C129-T131 PolarHBondContact O-N 2.81Å; T131-Y133 PolarHBondContact O-N 2.58Å; T131-D134 PolarHBondContact O-N 3.42Å
132A65.5Low56.2Low77 Ų7789.6 Ų89.664%0.63650%0.499SS*.Hα-helixtrans-65.5-20.4175.700000113.6Q128 C129 F130Q128-A132 WeakPolarHBondContact O-CB 3.27Å; Q128-A132 PolarHBondContact O-N 2.9Å; C129-A132 PolarHBondContact O-N 2.94Å; F130-A132 VanDerWaalsContact C-N 3.33Å; F130-A132 PolarHBondContact O-N 3.3Å
133Y56Low55.7Low112 Ų11296.3 Ų96.344%0.43952%0.523SS..THydrogen-bonded Turntrans-110.222.7177.8-68.1-76.3000112.9I51 C129 F130 T131 C135I51-Y133 VanDerWaalsContact CD1-OH 3.28Å; I51-Y133 WeakPolarHBondContact CD1-OH 3.48Å; C129-Y133 VanDerWaalsContact O-CD2 3.22Å; C129-Y133 WeakPolarHBondContact O-CD2 3.27Å; F130-Y133 CarbonylContact O-C 3.54Å; F130-Y133 PolarHBondContact O-N 3Å; F130-Y133 VanDerWaalsContact O-N 3.13Å; T131-Y133 PolarHBondContact O-N 2.58Å; Y133-C135 PolarHBondContact O-N 3.34Å; Y133-C135 VanDerWaalsContact O-N 3.15Å; Y133-C135 PolarHBondContact O-SG 2.95Å
134D69.6Low55.1Low164 Ų16495.6 Ų95.688%0.87753%0.526SS*.THydrogen-bonded Turntrans53.631.3-177.4-68-44.1000113.5F130 T131F130-D134 PolarHBondContact O-N 2.89Å; T131-D134 PolarHBondContact O-N 3.42Å
135C59.2Low54.4Low43 Ų43100.6 Ų100.629%0.29154%0.54SS..  trans-111.9149.5179.5-640000110.7F130 Y133F130-C135 CarbonylContact C-O 3.13Å; F130-C135 HydrophobicContact CB-CB 4.31Å; F130-C135 WeakPolarHBondContact CB-O 3.35Å; F130-C135 HydrophobicContact CD1-CB 3.63Å; F130-C135 HydrophobicContact CG-CB 4.46Å; F130-C135 WeakPolarHBondContact O-CA 3.25Å; F130-C135 WeakPolarHBondContact O-CB 3.36Å; F130-C135 PolarHBondContact O-N 2.85Å; Y133-C135 PolarHBondContact O-N 3.34Å; Y133-C135 VanDerWaalsContact O-N 3.15Å; Y133-C135 PolarHBondContact O-SG 2.95Å
136T65Low53.6Low133 Ų13397.8 Ų97.882%0.81655%0.546SS*.PPolyproline II helixtrans-90.1125172.5-50.50000109.2
137A50.9Low53.2Low23 Ų23105.3 Ų105.319%0.1958%0.578CS.*PPolyproline II helixtrans-64.6138.4173.900000110.6V126 F130V126-A137 HydrophobicContact CG1-CB 4.43Å; F130-A137 HydrophobicContact CB-CB 3.9Å; F130-A137 HydrophobicContact CD2-CB 3.76Å; F130-A137 HydrophobicContact CG-CB 3.9Å
138P51.8Low52.3Low92 Ų92105.8 Ų105.860%0.59760%0.595SS**PPolyproline II helixtrans-66137.2172.525.6-30.3000110.2M140P138-M140 PolarHBondContact O-N 2.85Å
139Q55.4Low51.2Low159 Ų159103.1 Ų103.174%0.74360%0.601SS**PPolyproline II helixtrans-64.1125.9175.3-66.8-17434.600109.4G141 D142Q139-G141 PolarHBondContact O-N 3.29Å; Q139-D142 PolarHBondContact O-N 3.34Å
140M49.8Very low50.9Low66 Ų66110.3 Ų110.333%0.32563%0.63SS.*THydrogen-bonded Turntrans-66.5-1.2-179-76.9-155.2-158.500114.4I122 E123 V126 P138I122-M140 HydrophobicContact CG2-CE 4.15Å; E123-M140 HydrophobicContact CB-CE 3.91Å; E123-M140 HydrophobicContact CG-CE 4.29Å; V126-M140 HydrophobicContact CG2-CE 4.48Å; P138-M140 PolarHBondContact O-N 2.85Å
141G52.5Low50.8Low71 Ų71114.9 Ų114.973%0.73265%0.65SS**THydrogen-bonded Turntrans-79.9-17.5178.600000115.5Q139 Y143Q139-G141 PolarHBondContact O-N 3.29Å; G141-Y143 PolarHBondContact O-N 2.94Å
142D44.2Very low49.7Very low138 Ų138116.9 Ų116.974%0.73867%0.665SS**  trans-10042-174-72.9-46.1000112.6Q139 P144Q139-D142 PolarHBondContact O-N 3.34Å; D142-P144 WeakPolarHBondContact O-CD 3.37Å; D142-P144 VanDerWaalsContact O-N 3.13Å
143Y39.9Very low48.8Very low184 Ų184122.6 Ų122.672%0.72268%0.676SS**  trans-64.6116.4167.6-90.8-83.2000108.7G141 R145G141-Y143 PolarHBondContact O-N 2.94Å; Y143-R145 PolarHBondContact O-N 3.46Å
144P43.4Very low48.1Very low72 Ų72121 Ų12147%0.46869%0.693SS.*  trans-66.1110.217923.1-25.4000107.2W34 D142 G146W34-P144 HydrophobicContact CE3-CG 4.14Å; W34-P144 HydrophobicContact CH2-CB 3.58Å; W34-P144 HydrophobicContact CH2-CG 3.13Å; W34-P144 HydrophobicContact CZ2-CG 4.29Å; W34-P144 HydrophobicContact CZ3-CB 3.69Å; W34-P144 HydrophobicContact CZ3-CG 3.06Å; D142-P144 WeakPolarHBondContact O-CD 3.37Å; D142-P144 VanDerWaalsContact O-N 3.13Å; P144-G146 PolarHBondContact O-N 3.23Å
145R49.4Very low46.7Very low220 Ų220116.6 Ų116.683%0.8369%0.686SS**  trans-43.7107168.8-102.5-178.2179.5176.61.2107.3Y143 H147Y143-R145 PolarHBondContact O-N 3.46Å; R145-H147 PolarHBondContact O-N 2.87Å
146G38Very low46.1Very low70 Ų70120 Ų12072%0.72271%0.708SS**  trans-49.2119.8179.300000108.9P144 G148P144-G146 PolarHBondContact O-N 3.23Å; G146-G148 PolarHBondContact O-N 3.25Å
147H38.7Very low45.1Very low199 Ų199121.5 Ų121.592%0.92171%0.705SS**  trans-60.179.4173.6-82.8-77000110.2R145 G149R145-H147 PolarHBondContact O-N 2.87Å; H147-G149 PolarHBondContact O-N 2.85Å
148G39.7Very low45Very low70 Ų70126.1 Ų126.172%0.72273%0.733SS**  trans-83.949.2163.800000110.9G146 H150G146-G148 PolarHBondContact O-N 3.25Å; G148-H150 VanDerWaalsContact C-N 3.31Å; G148-H150 PolarHBondContact O-N 3.23Å; G148-H150 VanDerWaalsContact O-N 3.07Å
149G37Very low44.9Very low70 Ų70130.4 Ų130.472%0.72275%0.745SS**  trans-78.777.117300000110.6H147 K151H147-G149 PolarHBondContact O-N 2.85Å; G149-K151 PolarHBondContact O-N 2.84Å
150H43.3Very low44.2Very low190 Ų190126.3 Ų126.388%0.8875%0.745SS**  trans-72.5110.9163.3-93-83.6000108.9G148G148-H150 VanDerWaalsContact C-N 3.31Å; G148-H150 PolarHBondContact O-N 3.23Å; G148-H150 VanDerWaalsContact O-N 3.07Å
151K49.9Very low44Very low173 Ų173129.8 Ų129.875%0.75277%0.773SS**  trans-53.9141.7172.9-74.4175.4173.6176.70111.3G149 F153G149-K151 PolarHBondContact O-N 2.84Å; K151-F153 PolarHBondContact O-N 2.99Å
152P44.9Very low43.7Very low129 Ų129129.9 Ų129.984%0.83877%0.774SS**  trans-77.7112169.631.1-28.2000108.9G154P152-G154 PolarHBondContact O-N 2.95Å
153F46.6Very low43.8Very low197 Ų197131 Ų13186%0.86478%0.78SS**  trans-86.7102.7164.4-91.7-85.6000108.7K151K151-F153 PolarHBondContact O-N 2.99Å
154G40.9Very low44.3Very low79 Ų79134.1 Ų134.181%0.81479%0.791SS**  trans-69.4132.1165.700000110.9P152P152-G154 PolarHBondContact O-N 2.95Å
155G40Very low44.5Very low70 Ų70140.4 Ų140.472%0.72281%0.811SS**  trans-142125.4166.300000108.2
156P47.4Very low44.5Very low116 Ų116135.3 Ų135.375%0.75381%0.806SS**  trans-91.1142.4-173.332.6-31.1000113.9
157H44.6Very low45.4Very low164 Ų164137.9 Ų137.976%0.75981%0.81SS**  trans67.7162.2153.4-74.1-55.9000119.5
158P48.7Very low46Very low120 Ų120137.3 Ų137.378%0.77981%0.805SS**  cis-133174.22.321.94000116.5
159H49.3Very low46Very low181 Ų181139.7 Ų139.784%0.83881%0.808SS**  trans-41.7145.8176.5-69.7-88.8000119.3
160G40.2Very low46.2Very low73 Ų73145.4 Ų145.475%0.75381%0.813SS**  trans-165.9125156.400000110.6
161P46.2Very low46.2Very low139 Ų139143.6 Ų143.690%0.90381%0.81SS**  trans-98.6164.6-155.638.9-35.2000114.1
162G45Very low45.9Very low74 Ų74142.9 Ų142.976%0.76381%0.812SS**  trans162.894.9163.300000114.6
163D47Very low45.7Very low161 Ų161143.5 Ų143.586%0.86181%0.808SS**  trans-45126174.3-59.3-84.2000115.3
164R49.8Very low45.6Very low250 Ų250141.2 Ų141.294%0.94380%0.804SS**  trans-146.7114.9143.8-71-161.6176.1173-1.4111.4
165K48.6Very low45.9Very low203 Ų203141.8 Ų141.888%0.88379%0.793SS**PPolyproline II helixtrans-65.2141.1177.6-162.9175.4-173.8178.90111.2
166P49.5Very low45.9Very low113 Ų113147.7 Ų147.773%0.73480%0.8SS**PPolyproline II helixtrans-82.5144.5179.532-31.2000111.4
167P56.7Low45.5Very low124 Ų124147.9 Ų147.981%0.80580%0.801SS**PPolyproline II helixtrans-79129.6167.4412.3000110.5
168K50.7Low45.3Very low187 Ų187143.3 Ų143.381%0.81380%0.798SS**PPolyproline II helixtrans-75.8157.2162.3-90.5179174.2179.50110.2
169P40Very low44.9Very low121 Ų121143.4 Ų143.479%0.78680%0.801SS**PPolyproline II helixtrans-71.5142.7-173.6-117.7000111D171P169-D171 PolarHBondContact O-N 3.5Å
170F42Very low44.7Very low190 Ų190143.9 Ų143.983%0.83380%0.804SS**  trans-78115.9173.3-79.6-88.4000110.5I172F170-I172 HydrophobicContact CB-CG1 4.41Å; F170-I172 PolarHBondContact O-N 2.87Å
171D42Very low45.4Very low151 Ų151144.3 Ų144.381%0.80779%0.794SS**  trans-64.1114.2148.1-74.9-59.6000108.5P169P169-D171 PolarHBondContact O-N 3.5Å
172I44.4Very low45.5Very low158 Ų158143.8 Ų143.881%0.8179%0.79SS**  trans-104.194.4163.9-63.1177.2000106.6F170F170-I172 HydrophobicContact CB-CG1 4.41Å; F170-I172 PolarHBondContact O-N 2.87Å
173L40.8Very low45.9Very low142 Ų142149.3 Ų149.374%0.74379%0.793SS**  trans-103.4145.2163.3-94.8169.5000108.3
174L44.8Very low45.8Very low150 Ų150145 Ų14579%0.78579%0.788SS**  trans91.2153.8156.2-62.7152.1000117.4
175P45.8Very low45.9Very low90 Ų90144.7 Ų144.758%0.58479%0.786SS**  -136.1-173-78.432.1-9.3000109.6
176F40.3Very low46.6Very low195 Ų195140.5 Ų140.586%0.85578%0.78SS**  170.6146.3128.7-97.2-80.7000110
177P39.1Very low47.1Very low120 Ų120141 Ų14178%0.77978%0.783SS**  trans-104165.9-164.638.6-26.9000112.7
178G40Very low47.6Very low67 Ų67146.3 Ų146.369%0.69179%0.787SS**  trans151.2127156.700000116
179S40.7Very low48.5Very low122 Ų122142.6 Ų142.685%0.85378%0.782SS**  trans73.992157.535.20000119.6
180Q45.3Very low49.7Very low191 Ų191142.7 Ų142.789%0.89378%0.782SS**  trans-75143.8145.4-82.4-169.1-13.600110.4
181P54.2Low50.8Low83 Ų83145 Ų14554%0.53979%0.786SS.*  trans-101.7147.1152.333.6-26.4000111.3F183P181-F183 HydrophobicContact CB-CD2 4.04Å; P181-F183 HydrophobicContact CB-CE2 3.63Å; P181-F183 HydrophobicContact CB-CZ 4.46Å; P181-F183 HydrophobicContact CG-CD2 3.85Å; P181-F183 HydrophobicContact CG-CE2 3.52Å; P181-F183 PolarHBondContact O-N 2.93Å
182P49.7Very low51.9Low128 Ų128143.7 Ų143.783%0.83179%0.785SS**  trans-85.9108.6175.332.9-26.4000108.8
183F52Low52.7Low189 Ų189139 Ų13983%0.82978%0.776SS**  trans-105.3123.4170.8-76.3-73.3000110.9P181P181-F183 HydrophobicContact CB-CD2 4.04Å; P181-F183 HydrophobicContact CB-CE2 3.63Å; P181-F183 HydrophobicContact CB-CZ 4.46Å; P181-F183 HydrophobicContact CG-CD2 3.85Å; P181-F183 HydrophobicContact CG-CE2 3.52Å; P181-F183 PolarHBondContact O-N 2.93Å
184G45.8Very low53.6Low72 Ų72138.5 Ų138.574%0.74278%0.781SS**PPolyproline II helixtrans-71.5166.8-166.500000115.1
185R51.9Low54.3Low243 Ų243133.7 Ų133.792%0.91777%0.768SS**PPolyproline II helixtrans-54.9131.5177.8-71.5179-180-172.1-1111
186P62.5Low55Low114 Ų114134.6 Ų134.674%0.7477%0.774SS**PPolyproline II helixtrans-65.8147.5163.727.5-30.4000109.9
187P60.4Low56Low124 Ų124134.7 Ų134.781%0.80577%0.774SS**PPolyproline II helixtrans-65.7140.7177.826.7-31.6000110.6
188R66.8Low56.9Low236 Ų236137.5 Ų137.589%0.89178%0.777SS**PPolyproline II helixtrans-58.9136.4175.1-90.7-176-178.3-150.5-1.9110.3
189P71.1Confident58.4Low108 Ų108139.3 Ų139.370%0.70178%0.777SS**PPolyproline II helixtrans-64.3148.2167.727-30.9000110.2R191P189-R191 PolarHBondContact O-N 3.24Å
190P64.1Low60.1Low123 Ų123139.1 Ų139.180%0.79977%0.772SS**PPolyproline II helixtrans-65.9133.6179.927.2-31.8000110
191R65Low61.6Low240 Ų240135.5 Ų135.591%0.90677%0.765SS**PPolyproline II helixtrans-60128.6177.1-147.2178.1-163.1-139.52.8108.7P189 G193P189-R191 PolarHBondContact O-N 3.24Å; R191-G193 PolarHBondContact O-N 2.85Å; R191-G193 VanDerWaalsContact O-N 3.13Å
192P66.2Low62.7Low123 Ų123137 Ų13780%0.79978%0.775SS**PPolyproline II helixtrans-60120.4169.1-16.529.2000107.8
193G59.6Low64.2Low59 Ų59136.5 Ų136.561%0.60877%0.772SS**PPolyproline II helixtrans-63.8152.8173.400000110.4R191 G195R191-G193 PolarHBondContact O-N 2.85Å; R191-G193 VanDerWaalsContact O-N 3.13Å; G193-G195 PolarHBondContact O-N 2.89Å; G193-G195 VanDerWaalsContact O-N 3.12Å
194P60.3Low65.4Low132 Ų132133 Ų13386%0.85777%0.768SS**PPolyproline II helixtrans-64.1117.7176.427.4-31.2000108.2
195G59.3Low66.7Low49 Ų49135 Ų13551%0.50577%0.768SS.*PPolyproline II helixtrans-61.1140.9169.800000109.4G193G193-G195 PolarHBondContact O-N 2.89Å; G193-G195 VanDerWaalsContact O-N 3.12Å
196P62Low67.7Low109 Ų109129.7 Ų129.771%0.70877%0.765SS**THydrogen-bonded Turntrans-64.3139.4166.530.4-29.6000106.6
197F60.4Low68Low197 Ų197127.2 Ų127.286%0.86476%0.76SS**THydrogen-bonded Turntrans93.623.7174.6-51.2-79.5000119.7P199F197-P199 VanDerWaalsContact O-CD 3.32Å; F197-P199 WeakPolarHBondContact O-CD 3.2Å
198E57.8Low68.2Low178 Ų178126.8 Ų126.883%0.83276%0.758SS**PPolyproline II helixtrans-80.4118156.2-94.5-170.1113.400110.5
199P72.4Confident68.2Low106 Ų106118 Ų11869%0.68874%0.74SS**PPolyproline II helixtrans-65.5144.117226.8-31.3000109.9F197F197-P199 VanDerWaalsContact O-CD 3.32Å; F197-P199 WeakPolarHBondContact O-CD 3.2Å
200P76.1Confident68Low117 Ų117119.2 Ų119.276%0.7675%0.748SS**PPolyproline II helixtrans-61.1143.2179.425.5-33.2000110.6
201P75.6Confident67.7Low116 Ų116122.3 Ų122.375%0.75375%0.75SS**PPolyproline II helixtrans-63145177.625.5-32.7000110.8
202P78.4Confident67.4Low114 Ų114118 Ų11874%0.7474%0.744SS**PPolyproline II helixtrans-65.2150.6179.426.6-33.3000111.4
203P80.2Confident67.5Low117 Ų117117.5 Ų117.576%0.7674%0.741SS**PPolyproline II helixtrans-63.8147.6178.926.8-33.4000111
204P76.9Confident68Low117 Ų117120.2 Ų120.276%0.7675%0.748SS**PPolyproline II helixtrans-63.7147.2177.526.6-32.9000110.8
205P73.8Confident68.5Low114 Ų114119.4 Ų119.474%0.7474%0.743SS**PPolyproline II helixtrans-64155.617626.7-32.9000111.2G207P205-G207 PolarHBondContact O-N 3.38Å
206P72.8Confident68.9Low130 Ų130122.4 Ų122.484%0.84475%0.754SS**PPolyproline II helixtrans-61.6123.7179-11.625.7000109.3
207G69.1Low69.3Low63 Ų63123.6 Ų123.665%0.64976%0.761SS**PPolyproline II helixtrans-62149.4176.700000111.5P205 G209P205-G207 PolarHBondContact O-N 3.38Å; G207-G209 PolarHBondContact O-N 2.92Å
208P65.4Low69.1Low115 Ų115122.2 Ų122.275%0.74776%0.762SS**PPolyproline II helixtrans-62130.5174.1-9.523.6000109.1F211P208-F211 HydrophobicContact CB-CE2 4.28Å
209G65Low68.5Low51 Ų51119.4 Ų119.453%0.52676%0.762SS.*PPolyproline II helixtrans-60.1169.4173.300000112.6G207 F211G207-G209 PolarHBondContact O-N 2.92Å; G209-F211 PolarHBondContact O-N 3.4Å; G209-F211 VanDerWaalsContact O-N 3.11Å
210P67.7Low67.4Low134 Ų134123.3 Ų123.387%0.8777%0.771SS**PPolyproline II helixtrans-63116.5-175.526.6-31.7000109.7D212P210-D212 PolarHBondContact O-N 3.15Å
211F57.2Low66.1Low188 Ų188126.2 Ų126.283%0.82578%0.775SS**PPolyproline II helixtrans-75.4117.4168.8-86.4-92.9000108.5P208 G209P208-F211 HydrophobicContact CB-CE2 4.28Å; G209-F211 PolarHBondContact O-N 3.4Å; G209-F211 VanDerWaalsContact O-N 3.11Å
212D58.4Low64.4Low149 Ų149127.1 Ų127.180%0.79778%0.778SS**PPolyproline II helixtrans-57.8138.6167.8-79.6-61.5000110.5P210P210-D212 PolarHBondContact O-N 3.15Å
213P69.5Low62.7Low112 Ų112128.3 Ų128.373%0.72778%0.783SS**PPolyproline II helixtrans-67.5142.9176.827.7-32.8000110.7
214P70Confident60.9Low117 Ų117127.3 Ų127.376%0.7678%0.779SS**PPolyproline II helixtrans-68.1148.717629-33.1000110.9
215P69.7Low59.2Low115 Ų115127.9 Ų127.975%0.74778%0.78SS**PPolyproline II helixtrans-70.9152.3-179.929.4-33.8000111.7
216P67.8Low57.7Low112 Ų112127.7 Ų127.773%0.72778%0.779SS**PPolyproline II helixtrans-71.1143.1177.129.5-32.9000110.8L218P216-L218 PolarHBondContact O-N 3.39Å
217P71.9Confident55.8Low134 Ų134132.9 Ų132.987%0.8778%0.782SS**PPolyproline II helixtrans-69.8129.2176.926.5-30000110.9
218L55.6Low54.4Low167 Ų167135.6 Ų135.687%0.87479%0.791SS**PPolyproline II helixtrans-61.4138.7175.1-99.191.5000111.9P216P216-L218 PolarHBondContact O-N 3.39Å
219S44.7Very low53.1Low120 Ų120136 Ų13684%0.83979%0.791SS**PPolyproline II helixtrans-46.1128.9167.3-47.90000113.3
220Q50Low51.5Low188 Ų188139 Ų13988%0.87980%0.802SS**  trans-128.7113.3155.4-77.3-168.8-2.200111
221E48.9Very low49.8Very low178 Ų178139.8 Ų139.883%0.83280%0.798SS**  trans24.4107.8147-74.1173.48700120.5
222T40.2Very low48.4Very low134 Ų134136.9 Ų136.982%0.82280%0.795SS**  4.1119.4126.116.60000117.8
223T42.9Very low47.1Very low139 Ų139138.6 Ų138.685%0.85380%0.796SS**  trans-141.2141.6135.4-67.80000109.9
224S41.8Very low45.4Very low97 Ų97139.3 Ų139.368%0.67880%0.798SS**  trans-69135.1-159.840.50000119
225V41.9Very low43.7Very low128 Ų128142.9 Ų142.978%0.77681%0.805SS**  38.6149.5129.8-129.50000118.5
226P42.1Very low42Very low111 Ų111142.3 Ų142.372%0.72180%0.803SS**  cis-147.8143.730.539.1-15.3000122.6
227R32.7Very low40.3Very low239 Ų239142 Ų14290%0.90280%0.804SS**  40.9100.7127-154.6175.2-164.9170.53.3117
228S39.8Very low38.6Very low120 Ų120144.4 Ų144.484%0.83980%0.804SS**  trans-135.5138.8153.1-71.40000110.1
229T37Very low37.7Very low123 Ų123145.1 Ų145.176%0.75580%0.802SS**  trans-52.7143-163.4-36.20000115.6L231T229-L231 PolarHBondContact O-N 3.16Å
230P32.4Very low37.3Very low115 Ų115144 Ų14475%0.74779%0.792SS**  trans-77.6113.6169.930.8-28.1000109T232P230-T232 PolarHBondContact O-N 3Å
231L32.3Very low36.8Very low150 Ų150143.2 Ų143.279%0.78579%0.789SS**  trans-76110.4168.4-78.9169.4000108.9T229 F233T229-L231 PolarHBondContact O-N 3.16Å; L231-F233 PolarHBondContact O-N 3.5Å
232T28.1Very low36.2Very low126 Ų126140 Ų14077%0.77378%0.784SS**  trans-65.3110.4167.7-45.90000108.6P230 T234P230-T232 PolarHBondContact O-N 3Å; T232-T234 PolarHBondContact O-N 2.55Å
233F30.5Very low36Very low186 Ų186138.4 Ų138.482%0.81677%0.77SS**  trans-82.4107.7166.3-83.3-86.8000108.9L231 H235L231-F233 PolarHBondContact O-N 3.5Å; F233-H235 PolarHBondContact O-N 3.42Å
234T32.8Very low35.8Very low126 Ų126141.7 Ų141.777%0.77377%0.767SS**  trans-63.2114.8173.4-26.80000109T232 S236T232-T234 PolarHBondContact O-N 2.55Å; T234-S236 PolarHBondContact O-N 3.26Å; T234-S236 VanDerWaalsContact O-N 3.09Å
235H34.3Very low35.6Very low192 Ų192140.2 Ų140.289%0.88976%0.756SS**  trans-56.9107.2167.4-116.5-94.5000109.3F233F233-H235 PolarHBondContact O-N 3.42Å
236S33.8Very low35.3Very low103 Ų103138 Ų13872%0.7275%0.747SS**  trans-150.595.8163.7-900000106.6T234T234-S236 PolarHBondContact O-N 3.26Å; T234-S236 VanDerWaalsContact O-N 3.09Å
237S33.3Very low35Very low107 Ų107140.1 Ų140.175%0.74875%0.745SS**  87.7114.888.7-163.10000109.7
238E35.3Very low35.2Very low184 Ų184136.6 Ų136.686%0.8674%0.736SS**  trans72.972.7179.9-75.5174.378.900117.4
239E37.6Very low35.1Very low181 Ų181139.4 Ų139.485%0.84673%0.733SS**  trans-69.1125.6153.5-159.2179.5129.800108.6Q241E239-Q241 PolarHBondContact O-N 3.33Å
240P35.9Very low34.9Very low97 Ų97137.3 Ų137.363%0.6372%0.721SS**  trans-70.1100.8178.527.4-31.6000108.9
241Q39.6Very low35Very low172 Ų172137 Ų13780%0.80471%0.709SS**  trans-54.7131.9168.7-79.8-154.6-19.200109E239 D243E239-Q241 PolarHBondContact O-N 3.33Å; Q241-D243 PolarHBondContact O-N 2.96Å; Q241-D243 VanDerWaalsContact O-N 3.12Å
242P36.3Very low35.2Very low111 Ų111137.5 Ų137.572%0.72171%0.712SS**  trans-56.3124.1172.821.8-30.2000108.4R244P242-R244 VanDerWaalsContact C-N 3.31Å; P242-R244 PolarHBondContact O-N 3.48Å
243D35.2Very low35.4Very low100 Ų100141.8 Ų141.854%0.53571%0.714SS.*  trans-6393.7178.5-179.15.7000109.3Q241 S245 S246Q241-D243 PolarHBondContact O-N 2.96Å; Q241-D243 VanDerWaalsContact O-N 3.12Å; D243-S245 PolarHBondContact O-N 2.85Å; D243-S245 WeakPolarHBondContact OD1-CB 3.3Å; D243-S245 PolarHBondContact OD1-N 3.34Å; D243-S245 PolarHBondContact OD1-OG 3.31Å; D243-S245 PolarHBondContact OD2-OG 2.86Å; D243-S246 PolarHBondContact O-N 3.35Å
244R38.7Very low35.6Very low208 Ų208139.6 Ų139.679%0.78570%0.704SS**THydrogen-bonded Turntrans-52.5-16.2175.7-80.6-179160.4-175.9-8.1112.6P242 S246P242-R244 VanDerWaalsContact C-N 3.31Å; P242-R244 PolarHBondContact O-N 3.48Å; R244-S246 VanDerWaalsContact C-N 3.35Å
245S37.7Very low35.3Very low65 Ų65136.7 Ų136.746%0.45570%0.7SS.*THydrogen-bonded Turntrans-75.1-21.4178.181.10000113.9D243 F247 K248D243-S245 PolarHBondContact O-N 2.85Å; D243-S245 WeakPolarHBondContact OD1-CB 3.3Å; D243-S245 PolarHBondContact OD1-N 3.34Å; D243-S245 PolarHBondContact OD1-OG 3.31Å; D243-S245 PolarHBondContact OD2-OG 2.86Å; S245-F247 VanDerWaalsContact C-N 3.33Å; S245-F247 PolarHBondContact O-N 3.46Å; S245-K248 PolarHBondContact O-N 2.86Å
246S36.2Very low35.3Very low83 Ų83138.6 Ų138.658%0.5870%0.699SS**THydrogen-bonded Turntrans-74.6-23.6-179.2-62.60000113.2D243 R244D243-S246 PolarHBondContact O-N 3.35Å; R244-S246 VanDerWaalsContact C-N 3.35Å
247F36.2Very low35Very low155 Ų155137.8 Ų137.868%0.6869%0.69SS**THydrogen-bonded Turntrans-89.9-9.9177.4-81.1-87.8000113.9S245 K249 P250 F251S245-F247 VanDerWaalsContact C-N 3.33Å; S245-F247 PolarHBondContact O-N 3.46Å; F247-K249 PolarHBondContact O-N 2.65Å; F247-P250 WeakPolarHBondContact O-CD 3.25Å; F247-F251 WeakPolarHBondContact O-CD2 3.35Å; F247-F251 WeakPolarHBondContact O-CE2 3.17Å
248K36.3Very low34.8Very low164 Ų164132.9 Ų132.971%0.71366%0.656SS**SBendtrans-78.2-14.4-177.7-101.3-179.8173.9-178.90115.2S245S245-K248 PolarHBondContact O-N 2.86Å
249K37Very low34.4Very low179 Ų179129 Ų12978%0.77864%0.639SS**THydrogen-bonded Turntrans-86-11-171.2-73.2-178.3178.7173.80118.7F247F247-K249 PolarHBondContact O-N 2.65Å
250P33.2Very low34Very low79 Ų79124.6 Ų124.651%0.51362%0.617SS.*THydrogen-bonded Turntrans-80.8-14.4170.6-6.923.4000113.9F247F247-P250 WeakPolarHBondContact O-CD 3.25Å
251F34.4Very low33.6Very low110 Ų110123.6 Ų123.648%0.48261%0.606SS.*G310 helixtrans-86.4-14.4-163.8-69.9-78.2000115.7F247 R253F247-F251 WeakPolarHBondContact O-CD2 3.35Å; F247-F251 WeakPolarHBondContact O-CE2 3.17Å; F251-R253 PolarHBondContact O-N 2.7Å; F251-R253 VanDerWaalsContact O-N 3.16Å
252D36.1Very low33.1Very low159 Ų159119.6 Ų119.685%0.8559%0.593SS**G310 helixtrans-70-8.8177.3-76-33.7000113.7
253R32.8Very low32.8Very low216 Ų216123.6 Ų123.682%0.81560%0.599SS**G310 helixtrans-95-10.9-173.7-148.6177.3-166.3-176.73.1115.2F251F251-R253 PolarHBondContact O-N 2.7Å; F251-R253 VanDerWaalsContact O-N 3.16Å
254F35Very low32.8Very low140 Ų140121.5 Ų121.561%0.61459%0.585SS**  trans-130.727.2-168.1-64.5-73.3000114.8R256F254-R256 PolarHBondContact O-N 3.44Å
255G26.5Very low32.5Very low66 Ų66116.9 Ų116.968%0.6858%0.58SS**THydrogen-bonded Turntrans-67.229-169.200000119.4
256R33.8Very low32.1Very low231 Ų231115.7 Ų115.787%0.87257%0.568SS**THydrogen-bonded Turntrans-15428.7-173.6-64.6-165.2-167.5-1513.5120.1F254F254-R256 PolarHBondContact O-N 3.44Å
257T27.2Very low32Very low86 Ų86115 Ų11553%0.52856%0.558SS.*  trans-146130.8176.3-22.30000116.2S83S83-T257 CarbonylContact C-O 3.54Å; S83-T257 WeakPolarHBondContact CA-O 3.38Å; S83-T257 CarbonylContact O-C 3.54Å; S83-T257 VanDerWaalsContact O-O 3.06Å
258P30.6Very low32.1Very low5 Ų5113 Ų1133%0.03255%0.551CS.*  trans-162.7171.7146.145.8-30.8000127S83 N84 L87S83-P258 VanDerWaalsContact C-CB 3.4Å; S83-P258 WeakPolarHBondContact O-CA 2.8Å; S83-P258 WeakPolarHBondContact O-CB 3.21Å; N84-P258 VanDerWaalsContact C-CG 3.43Å; N84-P258 HydrophobicContact CB-CB 4.24Å; N84-P258 WeakPolarHBondContact O-CB 3.21Å; N84-P258 WeakPolarHBondContact O-CG 3.5Å; L87-P258 VanDerWaalsContact CA-CG 3.46Å; L87-P258 HydrophobicContact CB-CB 4.48Å; L87-P258 HydrophobicContact CB-CG 3.32Å; L87-P258 VanDerWaalsContact CB-O 3.32Å; L87-P258 WeakPolarHBondContact CB-O 2.95Å; L87-P258 WeakPolarHBondContact CD1-O 3.48Å; L87-P258 WeakPolarHBondContact CD2-O 3.3Å; L87-P258 HydrophobicContact CG-CG 4.42Å; L87-P258 WeakPolarHBondContact CG-O 3.31Å
259M27.2Very low32.1Very low101 Ų101111.9 Ų111.950%0.49855%0.553SS.*  trans-168.3148157.1-99.9172-72.200110N84 L87N84-M259 PolarHBondContact ND2-O 2.94Å; N84-M259 PolarHBondContact OD1-N 3.45Å; N84-M259 PolarHBondContact OD1-O 3.48Å; L87-M259 HydrophobicContact CD2-CE 4.09Å; L87-M259 HydrophobicContact CD2-CG 3.85Å; L87-M259 HydrophobicContact CD2-SD 4.26Å
260F28.8Very low31.9Very low89 Ų89110.4 Ų110.439%0.3954%0.543SS..  -161.6147.783-59.3-60.3000112.5M287 F290 Q294F260-M287 HydrophobicContact CD1-CE 4.33Å; F260-F290 AromaticContact CD1-CD1 3.62Å; F260-F290 HydrophobicContact CD1-CD1 3.62Å; F260-F290 AromaticContact CD1-CE1 3.18Å; F260-F290 HydrophobicContact CD1-CE1 3.18Å; F260-F290 AromaticContact CD1-CZ 3.89Å; F260-F290 HydrophobicContact CD1-CZ 3.89Å; F260-F290 AromaticContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CZ 4.26Å; F260-F290 AromaticContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD2 4.48Å; F260-F290 AromaticContact CE1-CE1 2.87Å; F260-F290 HydrophobicContact CE1-CE1 2.87Å; F260-F290 AromaticContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CG 4.37Å; F260-F290 AromaticContact CE1-CZ 3.06Å; F260-F290 HydrophobicContact CE1-CZ 3.06Å; F260-F290 AromaticContact CE2-CE1 3.34Å; F260-F290 HydrophobicContact CE2-CE1 3.34Å; F260-F290 AromaticContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CE2-CZ 3.47Å; F260-F290 VanDerWaalsContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CG-CD1 4.28Å; F260-F290 AromaticContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CZ 4.49Å; F260-F290 HydrophobicContact CZ-CD1 4.16Å; F260-F290 AromaticContact CZ-CE1 3.03Å; F260-F290 HydrophobicContact CZ-CE1 3.03Å; F260-F290 AromaticContact CZ-CE2 3.91Å; F260-F290 HydrophobicContact CZ-CE2 3.91Å; F260-F290 AromaticContact CZ-CZ 2.86Å; F260-F290 HydrophobicContact CZ-CZ 2.86Å; F260-Q294 HydrophobicContact CE2-CG 4.41Å
261I27.3Very low31.9Very low77 Ų77111.4 Ų111.440%0.39554%0.54SS..  trans-116.7124.3-179.4-68.2159.6000108.8F264I261-F264 HydrophobicContact CB-CD1 4.24Å; I261-F264 HydrophobicContact CB-CE1 3.55Å; I261-F264 HydrophobicContact CB-CE2 3.95Å; I261-F264 HydrophobicContact CB-CZ 3.4Å; I261-F264 VanDerWaalsContact CB-CZ 3.4Å; I261-F264 HydrophobicContact CD1-CD1 4.24Å; I261-F264 HydrophobicContact CD1-CE1 3.42Å; I261-F264 VanDerWaalsContact CD1-CE1 3.42Å; I261-F264 HydrophobicContact CD1-CZ 3.99Å; I261-F264 HydrophobicContact CG1-CE1 4.07Å; I261-F264 HydrophobicContact CG1-CZ 4.26Å; I261-F264 HydrophobicContact CG2-CD1 3.61Å; I261-F264 HydrophobicContact CG2-CD2 4.06Å; I261-F264 HydrophobicContact CG2-CE1 3.46Å; I261-F264 VanDerWaalsContact CG2-CE1 3.46Å; I261-F264 HydrophobicContact CG2-CE2 3.88Å; I261-F264 HydrophobicContact CG2-CG 3.94Å; I261-F264 HydrophobicContact CG2-CZ 3.62Å; I261-F264 WeakPolarHBondContact O-CE2 3.34Å
262T27.9Very low32Very low87 Ų87111.9 Ų111.953%0.53455%0.554SS.*SBendtrans-89.7121.4169.548.50000110
263K31.3Very low32.2Very low196 Ų196107.1 Ų107.185%0.85254%0.542SS*.SBendtrans61.3102.7-179.2-77-173.7175-178.50115.7V265K263-V265 PolarHBondContact O-N 2.98Å
264F34.8Very low32.9Very low56 Ų5697.4 Ų97.425%0.24651%0.507CS..  trans-91.287.8174.9-60.1-99.8000110.8I261 L279 F283 M287I261-F264 HydrophobicContact CB-CD1 4.24Å; I261-F264 HydrophobicContact CB-CE1 3.55Å; I261-F264 HydrophobicContact CB-CE2 3.95Å; I261-F264 HydrophobicContact CB-CZ 3.4Å; I261-F264 VanDerWaalsContact CB-CZ 3.4Å; I261-F264 HydrophobicContact CD1-CD1 4.24Å; I261-F264 HydrophobicContact CD1-CE1 3.42Å; I261-F264 VanDerWaalsContact CD1-CE1 3.42Å; I261-F264 HydrophobicContact CD1-CZ 3.99Å; I261-F264 HydrophobicContact CG1-CE1 4.07Å; I261-F264 HydrophobicContact CG1-CZ 4.26Å; I261-F264 HydrophobicContact CG2-CD1 3.61Å; I261-F264 HydrophobicContact CG2-CD2 4.06Å; I261-F264 HydrophobicContact CG2-CE1 3.46Å; I261-F264 VanDerWaalsContact CG2-CE1 3.46Å; I261-F264 HydrophobicContact CG2-CE2 3.88Å; I261-F264 HydrophobicContact CG2-CG 3.94Å; I261-F264 HydrophobicContact CG2-CZ 3.62Å; I261-F264 WeakPolarHBondContact O-CE2 3.34Å; F264-L279 HydrophobicContact CB-CD1 3.16Å; F264-L279 HydrophobicContact CB-CG 3.85Å; F264-L279 HydrophobicContact CD1-CD1 3.55Å; F264-L279 HydrophobicContact CD2-CD1 3.59Å; F264-L279 HydrophobicContact CE1-CD1 4.18Å; F264-L279 HydrophobicContact CE2-CD1 4.27Å; F264-L279 HydrophobicContact CG-CD1 3.17Å; F264-L279 HydrophobicContact CG-CG 4.35Å; F264-L279 HydrophobicContact CZ-CD1 4.49Å; F264-F283 AromaticContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CE1-CE1 4.44Å; F264-F283 HydrophobicContact CE1-CZ 4.47Å; F264-F283 AromaticContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CZ 4.09Å; F264-F283 HydrophobicContact CG-CE1 4.41Å; F264-F283 AromaticContact CZ-CE1 3.82Å; F264-F283 HydrophobicContact CZ-CE1 3.82Å; F264-F283 AromaticContact CZ-CZ 3.92Å; F264-F283 HydrophobicContact CZ-CZ 3.92Å; F264-M287 HydrophobicContact CE2-CE 4.17Å; F264-M287 HydrophobicContact CE2-CG 4.19Å; F264-M287 HydrophobicContact CZ-CE 4.41Å
265V31.1Very low33.3Very low111 Ų11196.8 Ų96.867%0.67351%0.51SS*.  trans-92.2112.9143.9-1790000104.3K263 N267K263-V265 PolarHBondContact O-N 2.98Å; V265-N267 PolarHBondContact O-N 2.9Å
266L31.4Very low33.9Very low39 Ų3995.3 Ų95.320%0.20450%0.495CS..  trans-61.9102.5174.8-72.4168.8000107.6E268 F271 S274L266-E268 PolarHBondContact O-N 3.48Å; L266-F271 HydrophobicContact CB-CB 4.35Å; L266-F271 HydrophobicContact CB-CD2 4.23Å; L266-F271 HydrophobicContact CB-CG 4.47Å; L266-F271 HydrophobicContact CD2-CD1 4.35Å; L266-F271 HydrophobicContact CD2-CD2 3.7Å; L266-F271 HydrophobicContact CD2-CE1 4.47Å; L266-F271 HydrophobicContact CD2-CE2 3.85Å; L266-F271 HydrophobicContact CD2-CG 3.97Å; L266-F271 HydrophobicContact CD2-CZ 4.23Å; L266-S274 WeakPolarHBondContact CB-OG 3.27Å; L266-S274 PolarHBondContact O-OG 3.45Å
267N33.7Very low34.1Very low70 Ų7091 Ų9137%0.37448%0.484SS..  trans-58.8122.1179.5-176.5-13.4000108.9V265 D269 Y270 F271V265-N267 PolarHBondContact O-N 2.9Å; N267-D269 PolarHBondContact O-N 3.37Å; N267-D269 VanDerWaalsContact OD1-CB 3.32Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.32Å; N267-D269 PolarHBondContact OD1-OD2 2.9Å; N267-Y270 HydrophobicContact CB-CD2 3.83Å; N267-Y270 WeakPolarHBondContact ND2-CD2 3.46Å; N267-Y270 WeakPolarHBondContact ND2-CE2 3.46Å; N267-Y270 PolarHBondContact O-N 3.18Å; N267-F271 PolarHBondContact O-N 3.25Å
268E36.9Very low34.9Very low112 Ų11295.2 Ų95.252%0.52350%0.498SS..THydrogen-bonded Turntrans-57.2-29.4178.5-96.5-159.8140.300112.5L266 Y270 F271L266-E268 PolarHBondContact O-N 3.48Å; E268-Y270 PolarHBondContact O-N 3.38Å; E268-F271 CarbonylContact O-C 3.5Å
269D37.9Very low35.6Very low141 Ų14198 Ų9875%0.75451%0.512SS*.THydrogen-bonded Turntrans-66-23.1178.2-63-35.3000112.4N267N267-D269 PolarHBondContact O-N 3.37Å; N267-D269 VanDerWaalsContact OD1-CB 3.32Å; N267-D269 WeakPolarHBondContact OD1-CB 3.3Å; N267-D269 PolarHBondContact OD1-N 3.32Å; N267-D269 PolarHBondContact OD1-OD2 2.9Å
270Y32Very low36.4Very low148 Ų14896.4 Ų96.458%0.5851%0.511SS*.THydrogen-bonded Turntrans-110.8-23.9-179.4-64.3-90.1000112.5N267 E268N267-Y270 HydrophobicContact CB-CD2 3.83Å; N267-Y270 WeakPolarHBondContact ND2-CD2 3.46Å; N267-Y270 WeakPolarHBondContact ND2-CE2 3.46Å; N267-Y270 PolarHBondContact O-N 3.18Å; E268-Y270 PolarHBondContact O-N 3.38Å
271F34Very low37.1Very low100 Ų100100.2 Ų100.244%0.43953%0.53SS..SBendtrans-13175179.6-60.3-82.3000110.4L266 N267 E268 G273 S274L266-F271 HydrophobicContact CB-CB 4.35Å; L266-F271 HydrophobicContact CB-CD2 4.23Å; L266-F271 HydrophobicContact CB-CG 4.47Å; L266-F271 HydrophobicContact CD2-CD1 4.35Å; L266-F271 HydrophobicContact CD2-CD2 3.7Å; L266-F271 HydrophobicContact CD2-CE1 4.47Å; L266-F271 HydrophobicContact CD2-CE2 3.85Å; L266-F271 HydrophobicContact CD2-CG 3.97Å; L266-F271 HydrophobicContact CD2-CZ 4.23Å; N267-F271 PolarHBondContact O-N 3.25Å; E268-F271 CarbonylContact O-C 3.5Å; F271-G273 PolarHBondContact O-N 3.03Å; F271-G273 VanDerWaalsContact O-N 3.13Å; F271-S274 VanDerWaalsContact O-CB 3.28Å; F271-S274 WeakPolarHBondContact O-CB 3.4Å; F271-S274 PolarHBondContact O-N 3.31Å; F271-S274 PolarHBondContact O-OG 3.45Å; F271-S274 VanDerWaalsContact O-OG 3.06Å
272P36Very low37.8Very low120 Ų120101.1 Ų101.178%0.77954%0.54SS*.THydrogen-bonded Turntrans-60.5119.6-179.822.4-31.6000110.2
273G40.4Very low38.5Very low58 Ų58100.5 Ų100.560%0.59853%0.53SS*.THydrogen-bonded Turntrans99.30.6-174.800000115F271 N275F271-G273 PolarHBondContact O-N 3.03Å; F271-G273 VanDerWaalsContact O-N 3.13Å; G273-N275 VanDerWaalsContact C-N 3.26Å; G273-N275 PolarHBondContact O-N 2.84Å
274S47.8Very low39.2Very low12 Ų1292.5 Ų92.58%0.08450%0.503CS..  trans-70.4-18.7173.4690000113.3L266 F271 G276 Q277L266-S274 WeakPolarHBondContact CB-OG 3.27Å; L266-S274 PolarHBondContact O-OG 3.45Å; F271-S274 VanDerWaalsContact O-CB 3.28Å; F271-S274 WeakPolarHBondContact O-CB 3.4Å; F271-S274 PolarHBondContact O-N 3.31Å; F271-S274 PolarHBondContact O-OG 3.45Å; F271-S274 VanDerWaalsContact O-OG 3.06Å; S274-G276 PolarHBondContact O-N 3.33Å; S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 3.26Å
275N42.7Very low39.8Very low128 Ų12895.2 Ų95.268%0.68452%0.516SS*.THydrogen-bonded Turntrans45.231.4178.9-69.7-27.9000114.6G273 Q277G273-N275 VanDerWaalsContact C-N 3.26Å; G273-N275 PolarHBondContact O-N 2.84Å; N275-Q277 PolarHBondContact O-N 2.93Å
276G39.9Very low40.2Very low34 Ų3493.8 Ų93.835%0.35151%0.51SS..THydrogen-bonded Turntrans58.429.9-174.100000113.6S274 E278S274-G276 PolarHBondContact O-N 3.33Å; G276-E278 PolarHBondContact O-N 3.33Å
277Q37.1Very low41Very low140 Ų14093 Ų9365%0.65451%0.506SS*.  trans-56.7111179.5-167172.545.200108.4S274 N275 L279S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 3.26Å; N275-Q277 PolarHBondContact O-N 2.93Å; Q277-L279 PolarHBondContact O-N 3.49Å
278E44.5Very low41.8Very low176 Ų17697.7 Ų97.782%0.82252%0.519SS*.PPolyproline II helixtrans-60.8125.5172.4-70.8-174.7154.400107.6G276 S280G276-E278 PolarHBondContact O-N 3.33Å; E278-S280 PolarHBondContact O-N 2.72Å
279L44.9Very low42.7Very low62 Ų6296 Ų9633%0.32552%0.516SS..PPolyproline II helixtrans-57.3136.8169.8-69.7178.5000108.3F264 Q277 F283F264-L279 HydrophobicContact CB-CD1 3.16Å; F264-L279 HydrophobicContact CB-CG 3.85Å; F264-L279 HydrophobicContact CD1-CD1 3.55Å; F264-L279 HydrophobicContact CD2-CD1 3.59Å; F264-L279 HydrophobicContact CE1-CD1 4.18Å; F264-L279 HydrophobicContact CE2-CD1 4.27Å; F264-L279 HydrophobicContact CG-CD1 3.17Å; F264-L279 HydrophobicContact CG-CG 4.35Å; F264-L279 HydrophobicContact CZ-CD1 4.49Å; Q277-L279 PolarHBondContact O-N 3.49Å; L279-F283 HydrophobicContact CB-CB 4.14Å; L279-F283 HydrophobicContact CB-CD1 3.64Å; L279-F283 HydrophobicContact CB-CE1 4.39Å; L279-F283 HydrophobicContact CB-CG 4.07Å; L279-F283 HydrophobicContact CD1-CD1 3.32Å; L279-F283 HydrophobicContact CD1-CE1 3.17Å; L279-F283 HydrophobicContact CD1-CG 4.14Å; L279-F283 HydrophobicContact CD1-CZ 3.87Å; L279-F283 HydrophobicContact CG-CD1 4.02Å; L279-F283 HydrophobicContact CG-CE1 4.31Å
280S44.3Very low43.2Very low68 Ų6891.9 Ų91.948%0.47649%0.491SS..PPolyproline II helixtrans-51.1149.2-173.862.20000111.4E278 T282 F283 G284E278-S280 PolarHBondContact O-N 2.72Å; S280-T282 PolarHBondContact O-N 3.06Å; S280-T282 PolarHBondContact OG-OG1 3.2Å; S280-F283 WeakPolarHBondContact O-CA 3.4Å; S280-F283 WeakPolarHBondContact O-CB 3.3Å; S280-F283 PolarHBondContact O-N 2.82Å; S280-G284 PolarHBondContact O-N 3.04Å
281E43.5Very low44Very low169 Ų16988.6 Ų88.679%0.7948%0.481SS*.Hα-helixtrans-49.9-36.1178.5-154.3169.3-163.300111.8F283 G284 E285E281-F283 PolarHBondContact O-N 3.26Å; E281-G284 PolarHBondContact O-N 2.87Å; E281-E285 WeakPolarHBondContact O-CG 3.34Å; E281-E285 PolarHBondContact O-N 2.93Å
282T42.2Very low45.1Very low97 Ų9788.2 Ų88.260%0.59548%0.484SS*.Hα-helixtrans-62.4-35.9172.847.30000114.7S280 C286S280-T282 PolarHBondContact O-N 3.06Å; S280-T282 PolarHBondContact OG-OG1 3.2Å; T282-C286 WeakPolarHBondContact O-CB 3.39Å; T282-C286 PolarHBondContact O-N 3.29Å; T282-C286 VanDerWaalsContact O-N 3.09Å
283F42.7Very low45.9Very low74 Ų7488 Ų8833%0.32547%0.473SS..Hα-helixtrans-73.5-40.3174.4-175.9-84.6000110.7F264 L279 S280 E281 E285 C286 M287F264-F283 AromaticContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CD2-CE1 3.81Å; F264-F283 HydrophobicContact CE1-CE1 4.44Å; F264-F283 HydrophobicContact CE1-CZ 4.47Å; F264-F283 AromaticContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CE1 3.51Å; F264-F283 HydrophobicContact CE2-CZ 4.09Å; F264-F283 HydrophobicContact CG-CE1 4.41Å; F264-F283 AromaticContact CZ-CE1 3.82Å; F264-F283 HydrophobicContact CZ-CE1 3.82Å; F264-F283 AromaticContact CZ-CZ 3.92Å; F264-F283 HydrophobicContact CZ-CZ 3.92Å; L279-F283 HydrophobicContact CB-CB 4.14Å; L279-F283 HydrophobicContact CB-CD1 3.64Å; L279-F283 HydrophobicContact CB-CE1 4.39Å; L279-F283 HydrophobicContact CB-CG 4.07Å; L279-F283 HydrophobicContact CD1-CD1 3.32Å; L279-F283 HydrophobicContact CD1-CE1 3.17Å; L279-F283 HydrophobicContact CD1-CG 4.14Å; L279-F283 HydrophobicContact CD1-CZ 3.87Å; L279-F283 HydrophobicContact CG-CD1 4.02Å; L279-F283 HydrophobicContact CG-CE1 4.31Å; S280-F283 WeakPolarHBondContact O-CA 3.4Å; S280-F283 WeakPolarHBondContact O-CB 3.3Å; S280-F283 PolarHBondContact O-N 2.82Å; E281-F283 PolarHBondContact O-N 3.26Å; F283-E285 VanDerWaalsContact C-N 3.35Å; F283-E285 PolarHBondContact O-N 3.45Å; F283-C286 PolarHBondContact O-N 2.84Å; F283-M287 HydrophobicContact CD1-CG 3.9Å; F283-M287 HydrophobicContact CE1-CG 3.39Å; F283-M287 HydrophobicContact CE1-SD 4.2Å; F283-M287 HydrophobicContact CZ-CG 3.82Å; F283-M287 HydrophobicContact CZ-SD 4.05Å; F283-M287 WeakPolarHBondContact O-CG 3.13Å; F283-M287 PolarHBondContact O-N 2.87Å
284G45.5Very low46.3Very low28 Ų2888.5 Ų88.529%0.28946%0.459SS..Hα-helixtrans-58.7-43.6173.100000112.7S280 E281 R288S280-G284 PolarHBondContact O-N 3.04Å; E281-G284 PolarHBondContact O-N 2.87Å; G284-R288 WeakPolarHBondContact O-CG 3.16Å; G284-R288 PolarHBondContact O-N 3.43Å
285E46.7Very low46.6Very low112 Ų11293.2 Ų93.252%0.52348%0.475SS..Hα-helixtrans-65.4-41.5175.1-75.1180164.400112.9E281 F283 R288 T289E281-E285 WeakPolarHBondContact O-CG 3.34Å; E281-E285 PolarHBondContact O-N 2.93Å; F283-E285 VanDerWaalsContact C-N 3.35Å; F283-E285 PolarHBondContact O-N 3.45Å; E285-R288 PolarHBondContact O-N 3.27Å; E285-T289 PolarHBondContact O-N 2.98Å; E285-T289 PolarHBondContact O-OG1 3.2Å
286C41.3Very low47.4Very low81 Ų8191 Ų9155%0.54746%0.463SS..Hα-helixtrans-61.2-45.9176.4-177.60000111.4T282 F283 T289 F290T282-C286 WeakPolarHBondContact O-CB 3.39Å; T282-C286 PolarHBondContact O-N 3.29Å; T282-C286 VanDerWaalsContact O-N 3.09Å; F283-C286 PolarHBondContact O-N 2.84Å; C286-T289 PolarHBondContact O-N 3.1Å; C286-F290 WeakPolarHBondContact O-CB 3.37Å; C286-F290 PolarHBondContact O-N 3.49Å
287M47.4Very low48Very low24 Ų2494 Ų9412%0.11847%0.471CS..Hα-helixtrans-65.9-39.7177.8-72.4-59.8-5800112.5F260 F264 F283 F290 E291F260-M287 HydrophobicContact CD1-CE 4.33Å; F264-M287 HydrophobicContact CE2-CE 4.17Å; F264-M287 HydrophobicContact CE2-CG 4.19Å; F264-M287 HydrophobicContact CZ-CE 4.41Å; F283-M287 HydrophobicContact CD1-CG 3.9Å; F283-M287 HydrophobicContact CE1-CG 3.39Å; F283-M287 HydrophobicContact CE1-SD 4.2Å; F283-M287 HydrophobicContact CZ-CG 3.82Å; F283-M287 HydrophobicContact CZ-SD 4.05Å; F283-M287 WeakPolarHBondContact O-CG 3.13Å; F283-M287 PolarHBondContact O-N 2.87Å; M287-F290 WeakPolarHBondContact O-CB 3.15Å; M287-F290 PolarHBondContact O-N 3.49Å; M287-E291 WeakPolarHBondContact O-CB 3.37Å; M287-E291 WeakPolarHBondContact O-CG 3.32Å; M287-E291 PolarHBondContact O-N 3.38Å
288R50.6Low48.7Very low168 Ų16891.3 Ų91.363%0.63446%0.457SS*.Hα-helixtrans-61.8-46.8174-75.4179-168.3164.66.2112G284 E285 F290 E291 D292G284-R288 WeakPolarHBondContact O-CG 3.16Å; G284-R288 PolarHBondContact O-N 3.43Å; E285-R288 PolarHBondContact O-N 3.27Å; R288-F290 PolarHBondContact O-N 3.35Å; R288-E291 PolarHBondContact O-N 3.28Å; R288-D292 WeakPolarHBondContact O-CB 3.36Å; R288-D292 VanDerWaalsContact O-CG 3.29Å; R288-D292 PolarHBondContact O-N 2.82Å
289T55.1Low49.2Very low77 Ų7787.1 Ų87.147%0.47243%0.434SS..Hα-helixtrans-57.6-40.6176.8-53.70000110.9E285 C286 Q293E285-T289 PolarHBondContact O-N 2.98Å; E285-T289 PolarHBondContact O-OG1 3.2Å; C286-T289 PolarHBondContact O-N 3.1Å; T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.39Å; T289-Q293 VanDerWaalsContact O-N 3.1Å
290F47.6Very low50Low53 Ų5390.2 Ų90.223%0.23245%0.446CS..Hα-helixtrans-67.6-46.8177.1-179.7-84.7000112.5F260 C286 M287 R288 D292 Q293 Q294F260-F290 AromaticContact CD1-CD1 3.62Å; F260-F290 HydrophobicContact CD1-CD1 3.62Å; F260-F290 AromaticContact CD1-CE1 3.18Å; F260-F290 HydrophobicContact CD1-CE1 3.18Å; F260-F290 AromaticContact CD1-CZ 3.89Å; F260-F290 HydrophobicContact CD1-CZ 3.89Å; F260-F290 AromaticContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CE1 3.65Å; F260-F290 HydrophobicContact CD2-CZ 4.26Å; F260-F290 AromaticContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD1 3.59Å; F260-F290 HydrophobicContact CE1-CD2 4.48Å; F260-F290 AromaticContact CE1-CE1 2.87Å; F260-F290 HydrophobicContact CE1-CE1 2.87Å; F260-F290 AromaticContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CE2 3.88Å; F260-F290 HydrophobicContact CE1-CG 4.37Å; F260-F290 AromaticContact CE1-CZ 3.06Å; F260-F290 HydrophobicContact CE1-CZ 3.06Å; F260-F290 AromaticContact CE2-CE1 3.34Å; F260-F290 HydrophobicContact CE2-CE1 3.34Å; F260-F290 AromaticContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CE2-CZ 3.47Å; F260-F290 VanDerWaalsContact CE2-CZ 3.47Å; F260-F290 HydrophobicContact CG-CD1 4.28Å; F260-F290 AromaticContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CE1 3.65Å; F260-F290 HydrophobicContact CG-CZ 4.49Å; F260-F290 HydrophobicContact CZ-CD1 4.16Å; F260-F290 AromaticContact CZ-CE1 3.03Å; F260-F290 HydrophobicContact CZ-CE1 3.03Å; F260-F290 AromaticContact CZ-CE2 3.91Å; F260-F290 HydrophobicContact CZ-CE2 3.91Å; F260-F290 AromaticContact CZ-CZ 2.86Å; F260-F290 HydrophobicContact CZ-CZ 2.86Å; C286-F290 WeakPolarHBondContact O-CB 3.37Å; C286-F290 PolarHBondContact O-N 3.49Å; M287-F290 WeakPolarHBondContact O-CB 3.15Å; M287-F290 PolarHBondContact O-N 3.49Å; R288-F290 PolarHBondContact O-N 3.35Å; F290-D292 VanDerWaalsContact C-N 3.32Å; F290-D292 PolarHBondContact O-N 2.95Å; F290-Q293 PolarHBondContact O-N 3Å; F290-Q294 HydrophobicContact CD1-CG 4.1Å; F290-Q294 HydrophobicContact CE1-CB 4.43Å; F290-Q294 HydrophobicContact CE1-CG 3.22Å; F290-Q294 HydrophobicContact CE2-CG 4.23Å; F290-Q294 HydrophobicContact CZ-CG 3.29Å; F290-Q294 VanDerWaalsContact CZ-NE2 3.25Å; F290-Q294 WeakPolarHBondContact O-CG 3.29Å; F290-Q294 PolarHBondContact O-N 3.41Å
291E49.2Very low50.2Low79 Ų7989.3 Ų89.337%0.36944%0.44SS..Hα-helixtrans-59.1-42.8176-77.1178.517700111.5M287 R288 Q294 R295M287-E291 WeakPolarHBondContact O-CB 3.37Å; M287-E291 WeakPolarHBondContact O-CG 3.32Å; M287-E291 PolarHBondContact O-N 3.38Å; R288-E291 PolarHBondContact O-N 3.28Å; E291-Q294 PolarHBondContact O-N 3.47Å; E291-R295 VanDerWaalsContact O-CB 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.4Å; E291-R295 PolarHBondContact O-N 3.28Å
292D58.2Low50.4Low92 Ų9282.6 Ų82.649%0.49241%0.409SS..Hα-helixtrans-62-44.6176.8-72.3-25.8000111.1R288 F290 Q294 R295 D296R288-D292 WeakPolarHBondContact O-CB 3.36Å; R288-D292 VanDerWaalsContact O-CG 3.29Å; R288-D292 PolarHBondContact O-N 2.82Å; F290-D292 VanDerWaalsContact C-N 3.32Å; F290-D292 PolarHBondContact O-N 2.95Å; D292-Q294 PolarHBondContact O-N 3.5Å; D292-R295 PolarHBondContact O-N 3.07Å; D292-D296 WeakPolarHBondContact O-CB 3.41Å; D292-D296 PolarHBondContact O-N 3.25Å
293Q52.1Low51.2Low117 Ų11782.2 Ų82.255%0.54741%0.407SS..Hα-helixtrans-62-43175.6-75.8176.67.400112.7T289 F290 D296 L297T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.39Å; T289-Q293 VanDerWaalsContact O-N 3.1Å; F290-Q293 PolarHBondContact O-N 3Å; Q293-D296 PolarHBondContact O-N 3.09Å; Q293-L297 WeakPolarHBondContact O-CB 3.37Å; Q293-L297 PolarHBondContact O-N 2.97Å
294Q48.4Very low51.8Low68 Ų6886.3 Ų86.332%0.31843%0.427SS..Hα-helixtrans-66.7-39.9177-71.3-59-43.800111.9F260 F290 E291 D292 D296 L297 F298F260-Q294 HydrophobicContact CE2-CG 4.41Å; F290-Q294 HydrophobicContact CD1-CG 4.1Å; F290-Q294 HydrophobicContact CE1-CB 4.43Å; F290-Q294 HydrophobicContact CE1-CG 3.22Å; F290-Q294 HydrophobicContact CE2-CG 4.23Å; F290-Q294 HydrophobicContact CZ-CG 3.29Å; F290-Q294 VanDerWaalsContact CZ-NE2 3.25Å; F290-Q294 WeakPolarHBondContact O-CG 3.29Å; F290-Q294 PolarHBondContact O-N 3.41Å; E291-Q294 PolarHBondContact O-N 3.47Å; D292-Q294 PolarHBondContact O-N 3.5Å; Q294-D296 VanDerWaalsContact C-N 3.33Å; Q294-L297 PolarHBondContact O-N 2.84Å; Q294-F298 VanDerWaalsContact O-CB 3.3Å; Q294-F298 WeakPolarHBondContact O-CB 3.47Å; Q294-F298 PolarHBondContact O-N 3.46Å
295R54.1Low52Low111 Ų11189.8 Ų89.842%0.41944%0.435SS..Hα-helixtrans-64.4-40.4177.3-168.7178-169.3-179.12.6111.3E291 D292 F298 R299 E311E291-R295 VanDerWaalsContact O-CB 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.4Å; E291-R295 PolarHBondContact O-N 3.28Å; D292-R295 PolarHBondContact O-N 3.07Å; R295-F298 PolarHBondContact O-N 2.91Å; R295-R299 WeakPolarHBondContact O-CB 3.43Å; R295-R299 VanDerWaalsContact O-CG 3.27Å; R295-R299 WeakPolarHBondContact O-CG 3.34Å; R295-R299 PolarHBondContact O-N 3.27Å; R295-E311 IonicContact CZ-OE1 3.6Å; R295-E311 IonicContact NE-OE1 3.6Å; R295-E311 IonicContact NH2-OE1 2.84Å; R295-E311 PolarHBondContact NH2-OE1 3.21Å
296D60.2Low51.9Low81 Ų8188.4 Ų88.443%0.43343%0.43SS..Hα-helixtrans-66.5-41.9175.6-79.3-14.5000111.9D292 Q293 Q294 R299 Q300D292-D296 WeakPolarHBondContact O-CB 3.41Å; D292-D296 PolarHBondContact O-N 3.25Å; Q293-D296 PolarHBondContact O-N 3.09Å; Q294-D296 VanDerWaalsContact C-N 3.33Å; D296-R299 PolarHBondContact O-N 2.98Å; D296-Q300 WeakPolarHBondContact O-CB 3.37Å; D296-Q300 VanDerWaalsContact O-CG 3.27Å; D296-Q300 WeakPolarHBondContact O-CG 3.41Å; D296-Q300 PolarHBondContact O-N 3.35Å
297L52.8Low52.4Low96 Ų9690.1 Ų90.150%0.50344%0.44SS..Hα-helixtrans-62.4-45.7174.8-166.5114.6000111.2Q293 Q294 R299 Q300 C301Q293-L297 WeakPolarHBondContact O-CB 3.37Å; Q293-L297 PolarHBondContact O-N 2.97Å; Q294-L297 PolarHBondContact O-N 2.84Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.48Å; L297-Q300 PolarHBondContact O-N 3.3Å; L297-C301 PolarHBondContact O-N 3.06Å; L297-C301 PolarHBondContact O-SG 2.84Å
298F50.6Low53Low85 Ų8592.5 Ų92.537%0.37347%0.47SS..Hα-helixtrans-61.4-43.4176.4-172.7-106.2000111.6Q294 R295 C301 L302 I316Q294-F298 VanDerWaalsContact O-CB 3.3Å; Q294-F298 WeakPolarHBondContact O-CB 3.47Å; Q294-F298 PolarHBondContact O-N 3.46Å; R295-F298 PolarHBondContact O-N 2.91Å; F298-C301 PolarHBondContact O-N 2.95Å; F298-L302 HydrophobicContact CD1-CD1 3.56Å; F298-L302 HydrophobicContact CD1-CG 4.09Å; F298-L302 HydrophobicContact CE1-CD1 3.31Å; F298-L302 HydrophobicContact CE1-CD2 4.19Å; F298-L302 HydrophobicContact CE1-CG 3.87Å; F298-L302 HydrophobicContact CG-CD1 4.49Å; F298-L302 HydrophobicContact CZ-CD1 4.07Å; F298-L302 HydrophobicContact CZ-CD2 4.11Å; F298-L302 HydrophobicContact CZ-CG 4.19Å; F298-L302 WeakPolarHBondContact O-CB 3.37Å; F298-L302 VanDerWaalsContact O-CG 3.27Å; F298-L302 WeakPolarHBondContact O-CG 3.32Å; F298-L302 PolarHBondContact O-N 2.87Å; F298-I316 HydrophobicContact CD1-CD1 4.19Å; F298-I316 HydrophobicContact CE1-CD1 3.56Å
299R56.7Low53Low87 Ų8787.8 Ų87.833%0.32846%0.455SS..Hα-helixtrans-61.9-42.5173.9-79.9173.7173.2175.7-2.3112.3R295 D296 L297 C301 L302 V303 E311R295-R299 WeakPolarHBondContact O-CB 3.43Å; R295-R299 VanDerWaalsContact O-CG 3.27Å; R295-R299 WeakPolarHBondContact O-CG 3.34Å; R295-R299 PolarHBondContact O-N 3.27Å; D296-R299 PolarHBondContact O-N 2.98Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.48Å; R299-C301 VanDerWaalsContact C-N 3.35Å; R299-L302 PolarHBondContact O-N 2.88Å; R299-V303 WeakPolarHBondContact O-CB 3.4Å; R299-V303 VanDerWaalsContact O-CG2 3.29Å; R299-V303 WeakPolarHBondContact O-CG2 3.41Å; R299-V303 PolarHBondContact O-N 2.74Å; R299-E311 IonicContact CZ-OE1 3.72Å; R299-E311 IonicContact CZ-OE2 2.96Å; R299-E311 IonicContact NE-OE1 3.52Å; R299-E311 IonicContact NE-OE2 2.7Å; R299-E311 PolarHBondContact NE-OE2 2.98Å; R299-E311 IonicContact NH2-OE1 3.04Å; R299-E311 PolarHBondContact NH2-OE1 2.76Å; R299-E311 IonicContact NH2-OE2 2.65Å; R299-E311 PolarHBondContact NH2-OE2 3.11Å
300Q60Low53.3Low127 Ų12790 Ų9059%0.59347%0.468SS*.Hα-helixtrans-60-47.3176-75.1171.822.600110.7D296 L297 L302 V303 E304D296-Q300 WeakPolarHBondContact O-CB 3.37Å; D296-Q300 VanDerWaalsContact O-CG 3.27Å; D296-Q300 WeakPolarHBondContact O-CG 3.41Å; D296-Q300 PolarHBondContact O-N 3.35Å; L297-Q300 PolarHBondContact O-N 3.3Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 2.94Å; Q300-V303 PolarHBondContact O-N 3.18Å; Q300-E304 WeakPolarHBondContact O-CB 3.28Å; Q300-E304 PolarHBondContact O-N 3.4Å
301C48.8Very low53.7Low50 Ų5089.9 Ų89.934%0.33847%0.468SS..Hα-helixtrans-60.3-43.1174.7-65.60000111.9L297 F298 R299 V303 E304 E305L297-C301 PolarHBondContact O-N 3.06Å; L297-C301 PolarHBondContact O-SG 2.84Å; F298-C301 PolarHBondContact O-N 2.95Å; R299-C301 VanDerWaalsContact C-N 3.35Å; C301-V303 PolarHBondContact O-N 3.13Å; C301-E304 PolarHBondContact O-N 3.04Å; C301-E305 VanDerWaalsContact O-CB 3.23Å; C301-E305 WeakPolarHBondContact O-CB 3.46Å; C301-E305 VanDerWaalsContact O-CG 3.27Å; C301-E305 WeakPolarHBondContact O-CG 3.09Å; C301-E305 PolarHBondContact O-N 2.77Å
302L49.2Very low53.8Low27 Ų2789.2 Ų89.214%0.14147%0.471CS..Hα-helixtrans-63.7-40.6177.6-73.3174.3000112.4F298 R299 Q300 M306 F309 I316F298-L302 HydrophobicContact CD1-CD1 3.56Å; F298-L302 HydrophobicContact CD1-CG 4.09Å; F298-L302 HydrophobicContact CE1-CD1 3.31Å; F298-L302 HydrophobicContact CE1-CD2 4.19Å; F298-L302 HydrophobicContact CE1-CG 3.87Å; F298-L302 HydrophobicContact CG-CD1 4.49Å; F298-L302 HydrophobicContact CZ-CD1 4.07Å; F298-L302 HydrophobicContact CZ-CD2 4.11Å; F298-L302 HydrophobicContact CZ-CG 4.19Å; F298-L302 WeakPolarHBondContact O-CB 3.37Å; F298-L302 VanDerWaalsContact O-CG 3.27Å; F298-L302 WeakPolarHBondContact O-CG 3.32Å; F298-L302 PolarHBondContact O-N 2.87Å; R299-L302 PolarHBondContact O-N 2.88Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 2.94Å; L302-M306 HydrophobicContact CB-CE 4.28Å; L302-M306 HydrophobicContact CD2-CE 3.34Å; L302-M306 HydrophobicContact CG-CE 4.37Å; L302-M306 WeakPolarHBondContact O-CA 3.43Å; L302-M306 VanDerWaalsContact O-CB 3.27Å; L302-M306 WeakPolarHBondContact O-CB 3.37Å; L302-M306 PolarHBondContact O-N 3.3Å; L302-F309 HydrophobicContact CB-CD1 4.19Å; L302-F309 HydrophobicContact CB-CE1 4.46Å; L302-F309 HydrophobicContact CD1-CD1 4.27Å; L302-F309 HydrophobicContact CD1-CE1 3.72Å; L302-F309 HydrophobicContact CD1-CZ 4Å; L302-I316 HydrophobicContact CD1-CD1 4.05Å
303V58.2Low53.7Low90 Ų9095.2 Ų95.255%0.54549%0.493SS..Hα-helixtrans-71.3-37179.2171.20000111.4R299 Q300 C301 M306R299-V303 WeakPolarHBondContact O-CB 3.4Å; R299-V303 VanDerWaalsContact O-CG2 3.29Å; R299-V303 WeakPolarHBondContact O-CG2 3.41Å; R299-V303 PolarHBondContact O-N 2.74Å; Q300-V303 PolarHBondContact O-N 3.18Å; C301-V303 PolarHBondContact O-N 3.13Å; V303-M306 CarbonylContact O-C 3.51Å
304E55.8Low53.5Low160 Ų16097.5 Ų97.575%0.74851%0.508SS*.Hα-helixtrans-69.9-44.1177.2-171.7172.6-174.900111.8Q300 C301Q300-E304 WeakPolarHBondContact O-CB 3.28Å; Q300-E304 PolarHBondContact O-N 3.4Å; C301-E304 PolarHBondContact O-N 3.04Å
305E48.6Very low53.3Low100 Ų10094.8 Ų94.847%0.46750%0.499SS..Hα-helixtrans-78.8-29.3180-69.1-72.6153.600112.8C301C301-E305 VanDerWaalsContact O-CB 3.23Å; C301-E305 WeakPolarHBondContact O-CB 3.46Å; C301-E305 VanDerWaalsContact O-CG 3.27Å; C301-E305 WeakPolarHBondContact O-CG 3.09Å; C301-E305 PolarHBondContact O-N 2.77Å
306M45.2Very low52.8Low84 Ų8492.9 Ų92.941%0.41450%0.496SS..SBendtrans-129.678.4-179-60.4-175.1-67.100111.4L302 V303 G308 F309L302-M306 HydrophobicContact CB-CE 4.28Å; L302-M306 HydrophobicContact CD2-CE 3.34Å; L302-M306 HydrophobicContact CG-CE 4.37Å; L302-M306 WeakPolarHBondContact O-CA 3.43Å; L302-M306 VanDerWaalsContact O-CB 3.27Å; L302-M306 WeakPolarHBondContact O-CB 3.37Å; L302-M306 PolarHBondContact O-N 3.3Å; V303-M306 CarbonylContact O-C 3.51Å; M306-G308 PolarHBondContact O-N 3.45Å; M306-F309 HydrophobicContact CB-CB 3.95Å; M306-F309 HydrophobicContact CE-CB 4.25Å; M306-F309 HydrophobicContact CE-CD2 3.58Å; M306-F309 HydrophobicContact CE-CE2 4.12Å; M306-F309 HydrophobicContact CE-CG 3.99Å; M306-F309 WeakPolarHBondContact O-CB 3.32Å; M306-F309 PolarHBondContact O-N 3.2Å
307P51.6Low51.7Low117 Ų11794.5 Ų94.576%0.7651%0.511SS*.THydrogen-bonded Turntrans-60.6110.2174.422.2-30.7000110
308G60.3Low50.9Low73 Ų7395.4 Ų95.475%0.75352%0.521SS*.THydrogen-bonded Turntrans114.1-2.9-174.500000114.9M306 V310M306-G308 PolarHBondContact O-N 3.45Å; G308-V310 PolarHBondContact O-N 3.43Å
309F51.3Low50Low69 Ų6999.3 Ų99.330%0.30354%0.54SS..  trans-59.9121.5171.6180-98000111L302 M306 E311L302-F309 HydrophobicContact CB-CD1 4.19Å; L302-F309 HydrophobicContact CB-CE1 4.46Å; L302-F309 HydrophobicContact CD1-CD1 4.27Å; L302-F309 HydrophobicContact CD1-CE1 3.72Å; L302-F309 HydrophobicContact CD1-CZ 4Å; M306-F309 HydrophobicContact CB-CB 3.95Å; M306-F309 HydrophobicContact CE-CB 4.25Å; M306-F309 HydrophobicContact CE-CD2 3.58Å; M306-F309 HydrophobicContact CE-CE2 4.12Å; M306-F309 HydrophobicContact CE-CG 3.99Å; M306-F309 WeakPolarHBondContact O-CB 3.32Å; M306-F309 PolarHBondContact O-N 3.2Å; F309-E311 HydrophobicContact CE1-CB 4.02Å; F309-E311 HydrophobicContact CE1-CG 4.47Å
310V60.8Low48.6Very low125 Ų125100.6 Ų100.676%0.75856%0.561SS**  trans-106.6116.2171.2-178.60000107G308G308-V310 PolarHBondContact O-N 3.43Å
311E55.2Low47.3Very low49 Ų49101 Ų10123%0.22957%0.568CS.*  trans-59.5133.3177.7-168.4-180175.900110.1R295 R299 F309 K313R295-E311 IonicContact CZ-OE1 3.6Å; R295-E311 IonicContact NE-OE1 3.6Å; R295-E311 IonicContact NH2-OE1 2.84Å; R295-E311 PolarHBondContact NH2-OE1 3.21Å; R299-E311 IonicContact CZ-OE1 3.72Å; R299-E311 IonicContact CZ-OE2 2.96Å; R299-E311 IonicContact NE-OE1 3.52Å; R299-E311 IonicContact NE-OE2 2.7Å; R299-E311 PolarHBondContact NE-OE2 2.98Å; R299-E311 IonicContact NH2-OE1 3.04Å; R299-E311 PolarHBondContact NH2-OE1 2.76Å; R299-E311 IonicContact NH2-OE2 2.65Å; R299-E311 PolarHBondContact NH2-OE2 3.11Å; F309-E311 HydrophobicContact CE1-CB 4.02Å; F309-E311 HydrophobicContact CE1-CG 4.47Å; E311-K313 PolarHBondContact O-N 2.93Å
312P51.7Low46.6Very low66 Ų66103.4 Ų103.443%0.42958%0.581SS.*  trans-58.1139.3175.421.9-31.6000109.9N314 G315P312-N314 PolarHBondContact O-N 3.44Å; P312-G315 PolarHBondContact O-N 3.35Å
313K55.7Low45.7Very low218 Ų218110 Ų11095%0.94861%0.61SS**THydrogen-bonded Turntrans-53.4-24.1-178.7-71-176.7179178.60113.8E311E311-K313 PolarHBondContact O-N 2.93Å
314N49.4Very low44.3Very low164 Ų164109.7 Ų109.788%0.87763%0.625SS**THydrogen-bonded Turntrans-93.16.4-178.2-60-14.7000113.2P312P312-N314 PolarHBondContact O-N 3.44Å
315G43.4Very low42.8Very low12 Ų12104.8 Ų104.812%0.12462%0.618CS.*  trans69.6178.4-172.400000112.6P312P312-G315 PolarHBondContact O-N 3.35Å
316I43.3Very low41.8Very low70 Ų70107.3 Ų107.336%0.35964%0.64SS.*  trans-87.3123175.8-57.8176.1000107F298 L302 T318F298-I316 HydrophobicContact CD1-CD1 4.19Å; F298-I316 HydrophobicContact CE1-CD1 3.56Å; L302-I316 HydrophobicContact CD1-CD1 4.05Å; I316-T318 PolarHBondContact O-N 3.21Å
317P37.3Very low40.8Very low115 Ų115111.6 Ų111.675%0.74766%0.659SS**  trans-66.7125.1-176.722.9-29.9000111.3
318T36Very low39.6Very low116 Ų116115.4 Ų115.471%0.71266%0.658SS**  trans-112.23.2-173.550.20000115.2I316I316-T318 PolarHBondContact O-N 3.21Å
319Q31.2Very low37.9Very low166 Ų166119.1 Ų119.178%0.77666%0.66SS**  trans-105.5124.2-171.8-66.6-173.517.700114.2
320C27.6Very low36.7Very low114 Ų114125.7 Ų125.777%0.7769%0.689SS**  trans-91.7111.3164.7-80.50000110
321N32.1Very low35.1Very low136 Ų136130.9 Ų130.973%0.72770%0.704SS**  trans-86.1116.4171.1-121.5-15.5000109.8H323N321-H323 VanDerWaalsContact C-N 3.28Å; N321-H323 PolarHBondContact O-N 3.47Å
322V34.7Very low34.1Very low100 Ų100135 Ų13561%0.60673%0.728SS**  trans-82.3-5-175-176.60000112.4
323H31.3Very low33.2Very low165 Ų165138.6 Ų138.676%0.76474%0.744SS**SBendtrans-100.3123.2170-74.1-65.5000110.4N321 G325N321-H323 VanDerWaalsContact C-N 3.28Å; N321-H323 PolarHBondContact O-N 3.47Å; H323-G325 PolarHBondContact O-N 3.13Å
324G26.9Very low31.9Very low84 Ų84134.2 Ų134.287%0.86673%0.733SS**  trans-45.7134.5-173.500000114.3
325G25.4Very low30.9Very low58 Ų58132.4 Ų132.460%0.59872%0.724SS**  trans157.391.2174.400000110.9H323 H327H323-G325 PolarHBondContact O-N 3.13Å; G325-H327 PolarHBondContact O-N 3.12Å
326V26.9Very low30.1Very low153 Ų153139.9 Ų139.993%0.92776%0.762SS**  trans-66.778158.1-170.50000106.4
327H24.9Very low29.2Very low173 Ų173144.6 Ų144.680%0.80179%0.789SS**  trans-136.7115.3175.8-97.8-73.8000109.3G325G325-H327 PolarHBondContact O-N 3.12Å
328R26.7Very low28.7Very low197 Ų197146.7 Ų146.774%0.74379%0.792SS**  trans84.457.7170.5-52.3-171.7-179.7-162.10.9116.9
329L24.1Very low28.1Very low151 Ų151149.1 Ų149.179%0.79180%0.798SS**SBendtrans-92.7133131.2-83140.2000105.2
330F25.4Very low27.8Very low208 Ų208147.7 Ų147.791%0.91280%0.8SS**  trans83.282-166-46.6-71.5000115.5
331Q28.1Very low27.9Very low233 Ų233150.7 Ų150.7100%1.08980%0.802SS**  trans-141.70138.8-134.6177.22600109.6

Retrieved 331 of 331 residues in 361.4 ms (Link to these results)