A0A077ZDM4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M25.8Very low26.8Very low155 Ų155111.4 Ų111.476%0.76454%0.54SS*.  099.80-81.1-172.9165.100111D50M1-D50 HydrophobicContact CE-CB 3.81Å; M1-D50 WeakPolarHBondContact CE-OD2 3.45Å; M1-D50 VanDerWaalsContact CG-CG 3.46Å; M1-D50 WeakPolarHBondContact CG-OD1 2.98Å; M1-D50 VanDerWaalsContact CG-OD2 3.25Å; M1-D50 WeakPolarHBondContact CG-OD2 3.21Å
2Q22.8Very low26.8Very low115 Ų115119.3 Ų119.354%0.53756%0.56SS.*  trans-88.7162.4161.1-85.2167.5-16.900108.2I49 S144Q2-I49 HydrophobicContact CB-CD1 3.72Å; Q2-I49 VanDerWaalsContact O-CB 3.29Å; Q2-I49 WeakPolarHBondContact O-CB 3.47Å; Q2-I49 WeakPolarHBondContact O-CD1 3.3Å; Q2-I49 WeakPolarHBondContact O-CG1 3.36Å; Q2-S144 PolarHBondContact NE2-OG 3.14Å
3T25.2Very low26.9Very low72 Ų72124.9 Ų124.944%0.44258%0.581SS.*  trans-125.4127.7177.7-45.20000107Y5T3-Y5 HydrophobicContact CG2-CE1 4.19Å; T3-Y5 HydrophobicContact CG2-CE2 4.41Å
4C25.7Very low26.8Very low51 Ų51128.7 Ų128.735%0.34559%0.588SS.*  trans-104.4137.9175.8-71.20000109.1I49 M139C4-I49 HydrophobicContact CB-CD1 4.35Å; C4-I49 VanDerWaalsContact SG-CD1 3.55Å; C4-M139 HydrophobicContact CB-CE 3.88Å; C4-M139 HydrophobicContact CB-SD 4.46Å
5Y27.8Very low26.8Very low96 Ų96127.4 Ų127.438%0.37660%0.599SS.*  trans-117.1121.5-179.9-58-82.2000109.5T3 Y7 M139T3-Y5 HydrophobicContact CG2-CE1 4.19Å; T3-Y5 HydrophobicContact CG2-CE2 4.41Å; Y5-Y7 HydrophobicContact CG-CE2 4.2Å; Y5-M139 VanDerWaalsContact O-SD 3.38Å
6C28.5Very low26.8Very low108 Ų108131.3 Ų131.373%0.7361%0.608SS**  trans-101.7123.2169.1-66.20000109.1
7Y28.6Very low27Very low103 Ų103129.9 Ų129.940%0.40462%0.617SS.*  trans-114.6139.2176.4-61.5-80.3000109.7Y5 A42 I137Y5-Y7 HydrophobicContact CG-CE2 4.2Å; Y7-A42 HydrophobicContact CD1-CB 3.76Å; Y7-A42 HydrophobicContact CE1-CB 4.12Å; Y7-I137 WeakPolarHBondContact O-CD1 3.44Å
8K31Very low27.1Very low114 Ų114129.2 Ų129.250%0.49663%0.629SS.*  trans-104.4110.1165-173.4173.6-177.4173.10108.2L89K8-L89 HydrophobicContact CB-CD2 4.49Å
9L26.3Very low27.3Very low129 Ų129128.2 Ų128.268%0.67564%0.636SS**  trans-91.3106.5177.6-140.9121.7000108.9R11L9-R11 HydrophobicContact CD2-CG 3.99Å; L9-R11 PolarHBondContact O-N 3.49Å
10L28.1Very low27.6Very low73 Ų73126.7 Ų126.738%0.38264%0.638SS.*  trans-84.495.1172.4-93.8136.6000109.1R12 I87 Y118L10-R12 PolarHBondContact O-N 3.25Å; L10-I87 HydrophobicContact CD1-CG2 4.12Å; L10-Y118 HydrophobicContact CD2-CE1 4.03Å
11R25.2Very low27.8Very low209 Ų209129.3 Ų129.379%0.78965%0.645SS**  trans-79.5110.9162.7-75.8-168.9178.3-176.9-0.1108.6L9 K13L9-R11 HydrophobicContact CD2-CG 3.99Å; L9-R11 PolarHBondContact O-N 3.49Å; R11-K13 PolarHBondContact O-N 3.48Å
12R26.3Very low28.1Very low207 Ų207128.4 Ų128.478%0.78164%0.644SS**  trans-69.2107.5163.8-85.5-178.2171.8169.3-3.4108.1L10 W14L10-R12 PolarHBondContact O-N 3.25Å; R12-W14 PolarHBondContact O-N 3.06Å
13K28.7Very low28.5Very low192 Ų192129.9 Ų129.984%0.83565%0.652SS**  trans-67.4116157.4-84.3-173.7175.11780107.4R11 S15R11-K13 PolarHBondContact O-N 3.48Å; K13-S15 PolarHBondContact O-N 3.2Å
14W25Very low28.9Very low178 Ų178135 Ų13567%0.67467%0.669SS**  trans-70.198.3163.9-83.430.3000107.7R12 Y16R12-W14 PolarHBondContact O-N 3.06Å; W14-Y16 AromaticContact CE3-CE2 3.65Å; W14-Y16 HydrophobicContact CE3-CE2 3.65Å; W14-Y16 AromaticContact CE3-CZ 3.84Å; W14-Y16 HydrophobicContact CZ3-CE2 4.29Å; W14-Y16 WeakPolarHBondContact CZ3-OH 3.29Å; W14-Y16 PolarHBondContact O-N 3.33Å; W14-Y16 VanDerWaalsContact O-N 3.16Å
15S27.8Very low29.1Very low109 Ų109142 Ų14276%0.76270%0.697SS**  trans-75.593.9162.9-48.30000107.2K13 S17K13-S15 PolarHBondContact O-N 3.2Å; S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.16Å
16Y26.3Very low29.5Very low189 Ų189142.8 Ų142.874%0.74171%0.712SS**  trans-63.299.4160-85.1-86000107W14 S18W14-Y16 AromaticContact CE3-CE2 3.65Å; W14-Y16 HydrophobicContact CE3-CE2 3.65Å; W14-Y16 AromaticContact CE3-CZ 3.84Å; W14-Y16 HydrophobicContact CZ3-CE2 4.29Å; W14-Y16 WeakPolarHBondContact CZ3-OH 3.29Å; W14-Y16 PolarHBondContact O-N 3.33Å; W14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-S18 PolarHBondContact O-N 3.46Å
17S29.9Very low29.7Very low109 Ų109146.1 Ų146.176%0.76272%0.716SS**  trans-74.9106.4161.971.50000106.7S15 S19S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.16Å; S17-S19 PolarHBondContact O-N 3.12Å
18S29.2Very low29.7Very low117 Ų117153 Ų15382%0.81874%0.741SS**  trans-6881164.855.30000107.6Y16 S20Y16-S18 PolarHBondContact O-N 3.46Å; S18-S20 PolarHBondContact O-N 2.95Å
19S31.3Very low29.7Very low109 Ų109153.2 Ų153.276%0.76275%0.748SS**  trans-71.8102.8166.878.40000107.3S17 K21S17-S19 PolarHBondContact O-N 3.12Å; S19-K21 PolarHBondContact O-N 3.12Å
20S32.5Very low30.1Very low99 Ų99152.1 Ų152.169%0.69275%0.749SS**  trans-45.2133.7168.151.10000112S18S18-S20 PolarHBondContact O-N 2.95Å
21K32.4Very low30.3Very low181 Ų181155.2 Ų155.279%0.78777%0.766SS**  trans73.2120.4146.1-72.8179.7174.9178.80117.9S19S19-K21 PolarHBondContact O-N 3.12Å
22D31Very low30.6Very low137 Ų137154.9 Ų154.973%0.73377%0.77SS**  trans92.1116136.9-66.4-22.1000118
23M30.9Very low30.8Very low145 Ų145149.3 Ų149.371%0.71477%0.768SS**  trans74.897.8144.7-59176.781.500115.2
24F33.6Very low30.7Very low181 Ų181147.4 Ų147.479%0.79477%0.767SS**  178.8119.591.8-94.9-79.4000107.9T26F24-T26 PolarHBondContact O-N 2.97Å; F24-T26 VanDerWaalsContact O-N 3.12Å
25E31.6Very low30.7Very low198 Ų198142.9 Ų142.993%0.92577%0.767SS**  trans-59.2105.5164.4-68.3176.8138.100109
26T35.3Very low30.7Very low112 Ų112146 Ų14669%0.68777%0.77SS**  trans-147.1109.7154.9-38.30000110.1F24F24-T26 PolarHBondContact O-N 2.97Å; F24-T26 VanDerWaalsContact O-N 3.12Å
27E32.7Very low30.6Very low178 Ų178145.6 Ų145.683%0.83278%0.775SS**  trans59.299.1150.7-64.8-173.9150.600118.9N29E27-N29 PolarHBondContact O-N 3.39Å
28R28.4Very low30.3Very low246 Ų246148.7 Ų148.793%0.92878%0.777SS**  trans1.4111.9138.2-72178.5-176.91711.5114.8
29N31.5Very low30.1Very low120 Ų120149.3 Ų149.364%0.64278%0.776SS**  trans-130.799.4146.2-147.8-12.6000109.1E27 D31E27-N29 PolarHBondContact O-N 3.39Å; N29-D31 PolarHBondContact O-N 3.31Å; N29-D31 VanDerWaalsContact O-N 3.15Å
30P34.2Very low29.8Very low106 Ų106148.2 Ų148.269%0.68876%0.761SS**G310 helixtrans-70.42.2-178.826.7-30.8000114.4K32P30-K32 VanDerWaalsContact C-N 3.29Å; P30-K32 PolarHBondContact O-N 3.28Å
31D32.1Very low29.5Very low138 Ų138149 Ų14974%0.73876%0.763SS**G310 helixtrans-81.712.2-175.4-77.1-19.6000116.1N29N29-D31 PolarHBondContact O-N 3.31Å; N29-D31 VanDerWaalsContact O-N 3.15Å
32K32.8Very low29.2Very low202 Ų202143.4 Ų143.488%0.87875%0.751SS**G310 helixtrans-102.28.8175.2-71-172.2178.5178.90114.7P30P30-K32 VanDerWaalsContact C-N 3.29Å; P30-K32 PolarHBondContact O-N 3.28Å
33A29.7Very low28.9Very low89 Ų89140.7 Ų140.774%0.73675%0.747SS**SBendtrans-96.47.2-177.800000115.2
34N27Very low28.8Very low153 Ų153140.7 Ų140.782%0.81874%0.743SS**  trans-125.436.6-174.5-104.8-7.4000114.3Q36N34-Q36 PolarHBondContact O-N 3.39Å
35A25.7Very low28.5Very low82 Ų82137.2 Ų137.268%0.67873%0.732SS**  trans-76.867.1163.900000109.4E37A35-E37 PolarHBondContact O-N 3.22Å; A35-E37 VanDerWaalsContact O-N 3.15Å
36Q26Very low28.2Very low175 Ų175134 Ų13482%0.81872%0.72SS**  trans-60.6116.6164.8-155.3175.421.200106.5N34 Q38N34-Q36 PolarHBondContact O-N 3.39Å; Q36-Q38 VanDerWaalsContact C-N 3.32Å; Q36-Q38 PolarHBondContact O-N 3.15Å
37E24.7Very low27.8Very low181 Ų181130.5 Ų130.585%0.84670%0.703SS**  trans-57.390.5-179.4-166175.3-16400109.5A35 V39A35-E37 PolarHBondContact O-N 3.22Å; A35-E37 VanDerWaalsContact O-N 3.15Å; E37-V39 PolarHBondContact O-N 3.15Å; E37-V39 VanDerWaalsContact O-N 3.11Å
38Q24.7Very low27.4Very low174 Ų174130.7 Ų130.781%0.81370%0.696SS**  trans-72.2103.4167.4-86.7-171.56.200107.4Q36 I40Q36-Q38 VanDerWaalsContact C-N 3.32Å; Q36-Q38 PolarHBondContact O-N 3.15Å; Q38-I40 VanDerWaalsContact O-CG1 3.29Å; Q38-I40 WeakPolarHBondContact O-CG1 3.48Å; Q38-I40 PolarHBondContact O-N 2.9Å
39V25Very low27.3Very low129 Ų129120.8 Ų120.878%0.78266%0.661SS**  trans-57.3106.7166.8178.70000107.8E37E37-V39 PolarHBondContact O-N 3.15Å; E37-V39 VanDerWaalsContact O-N 3.11Å
40I24.5Very low27Very low87 Ų87119 Ų11945%0.44665%0.652SS.*PPolyproline II helixtrans-79.9123.4-179.8-51.4-172.1000107.6Q38 A42 G85Q38-I40 VanDerWaalsContact O-CG1 3.29Å; Q38-I40 WeakPolarHBondContact O-CG1 3.48Å; Q38-I40 PolarHBondContact O-N 2.9Å; I40-A42 PolarHBondContact O-N 2.79Å; I40-G85 WeakPolarHBondContact CD1-O 2.96Å
41P26.9Very low26.8Very low115 Ų115119.3 Ų119.375%0.74764%0.644SS**PPolyproline II helixtrans-60.5123.2178.5-17.428.4000109.9A43P41-A43 PolarHBondContact O-N 3.11Å
42A25.9Very low26.7Very low63 Ų63116.3 Ų116.352%0.52162%0.624SS.*PPolyproline II helixtrans-60.3120174.100000109.9Y7 I40 K44Y7-A42 HydrophobicContact CD1-CB 3.76Å; Y7-A42 HydrophobicContact CE1-CB 4.12Å; I40-A42 PolarHBondContact O-N 2.79Å; A42-K44 PolarHBondContact O-N 3.02Å
43A25Very low26.4Very low80 Ų80113.5 Ų113.566%0.66162%0.619SS**PPolyproline II helixtrans-64.7125.6175.800000110.1P41P41-A43 PolarHBondContact O-N 3.11Å
44K26.8Very low26.2Very low145 Ų145116.2 Ų116.263%0.6362%0.62SS**PPolyproline II helixtrans-76.4125.3-178.8-67.3176.6178.8177.20110.5A42A42-K44 PolarHBondContact O-N 3.02Å
45I27.3Very low26.2Very low109 Ų109112.4 Ų112.456%0.55960%0.599SS**PPolyproline II helixtrans-102.3125.8164.7-59.7175.8000107.2L89I45-L89 HydrophobicContact CD1-CD1 4.21Å
46L25.5Very low26.1Very low130 Ų130113.6 Ų113.668%0.68160%0.598SS**PPolyproline II helixtrans-102.7124.3-174.3-73.3160.1000110.4
47A27.6Very low26Very low38 Ų38111.1 Ų111.131%0.31460%0.598SS.*  trans-126139.8162.400000109
48R23.9Very low26.1Very low182 Ų182107.3 Ų107.369%0.68758%0.582SS**  trans-89135.8-176.5-65.9-176.2-174.1-175.13.4110.6D50 E51 F52R48-D50 VanDerWaalsContact C-N 3.29Å; R48-D50 PolarHBondContact O-N 3.13Å; R48-E51 PolarHBondContact O-N 3.35Å; R48-F52 WeakPolarHBondContact O-CD2 3.42Å
49I27.7Very low25.9Very low38 Ų38104 Ų10420%0.19557%0.574CS.*G310 helixtrans-70-21.3-178.2-67.6-170.6000113.4Q2 C4 E51 F52Q2-I49 HydrophobicContact CB-CD1 3.72Å; Q2-I49 VanDerWaalsContact O-CB 3.29Å; Q2-I49 WeakPolarHBondContact O-CB 3.47Å; Q2-I49 WeakPolarHBondContact O-CD1 3.3Å; Q2-I49 WeakPolarHBondContact O-CG1 3.36Å; C4-I49 HydrophobicContact CB-CD1 4.35Å; C4-I49 VanDerWaalsContact SG-CD1 3.55Å; I49-E51 PolarHBondContact O-N 3.01Å; I49-E51 VanDerWaalsContact O-N 3.13Å; I49-F52 WeakPolarHBondContact O-CB 3.04Å; I49-F52 PolarHBondContact O-N 2.96Å
50D24.7Very low25.8Very low84 Ų84104.1 Ų104.145%0.44958%0.577SS.*G310 helixtrans-72.8-4.9-179.8-70.715.4000113.3M1 R48M1-D50 HydrophobicContact CE-CB 3.81Å; M1-D50 WeakPolarHBondContact CE-OD2 3.45Å; M1-D50 VanDerWaalsContact CG-CG 3.46Å; M1-D50 WeakPolarHBondContact CG-OD1 2.98Å; M1-D50 VanDerWaalsContact CG-OD2 3.25Å; M1-D50 WeakPolarHBondContact CG-OD2 3.21Å; R48-D50 VanDerWaalsContact C-N 3.29Å; R48-D50 PolarHBondContact O-N 3.13Å
51E28.6Very low25.6Very low111 Ų111103.6 Ų103.652%0.51958%0.578SS.*G310 helixtrans-86.7-9.5167.2-68.4175.2-176.600112.7R48 I49R48-E51 PolarHBondContact O-N 3.35Å; I49-E51 PolarHBondContact O-N 3.01Å; I49-E51 VanDerWaalsContact O-N 3.13Å
52F30.1Very low25.5Very low76 Ų76106.8 Ų106.833%0.33359%0.587SS.*THydrogen-bonded Turntrans-91.9-18.7-176.9-72-101.4000113.9R48 I49 L54 L55 V96R48-F52 WeakPolarHBondContact O-CD2 3.42Å; I49-F52 WeakPolarHBondContact O-CB 3.04Å; I49-F52 PolarHBondContact O-N 2.96Å; F52-L54 PolarHBondContact O-N 2.83Å; F52-L55 HydrophobicContact CB-CD1 4.3Å; F52-L55 HydrophobicContact CD1-CD1 3.63Å; F52-L55 HydrophobicContact CE1-CD1 4.36Å; F52-L55 HydrophobicContact CG-CD1 4.27Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 PolarHBondContact O-N 3.11Å; F52-L55 VanDerWaalsContact O-N 3.15Å; F52-V96 HydrophobicContact CE1-CG1 4.38Å
53D26.6Very low25.2Very low143 Ų143110 Ų11077%0.76559%0.594SS**THydrogen-bonded Turntrans-75.9-9.3176-76.9-24.7000112.9
54L26.9Very low25.1Very low146 Ų146112.1 Ų112.176%0.76460%0.601SS**THydrogen-bonded Turntrans-85.5-5.1168.3-92.1147.3000113.3F52 T56F52-L54 PolarHBondContact O-N 2.83Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.12Å
55L26.4Very low24.9Very low73 Ų73109.4 Ų109.438%0.38260%0.597SS.*  trans-79.188.1173.5-64.7170.8000108.6F52 F68F52-L55 HydrophobicContact CB-CD1 4.3Å; F52-L55 HydrophobicContact CD1-CD1 3.63Å; F52-L55 HydrophobicContact CE1-CD1 4.36Å; F52-L55 HydrophobicContact CG-CD1 4.27Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 PolarHBondContact O-N 3.11Å; F52-L55 VanDerWaalsContact O-N 3.15Å; L55-F68 HydrophobicContact CD2-CE2 3.9Å
56T24.6Very low24.7Very low107 Ų107108.5 Ų108.566%0.65660%0.6SS**  trans-47.5128.5169.1-3.20000108.9L54 L58L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.12Å; T56-L58 VanDerWaalsContact C-N 3.28Å; T56-L58 PolarHBondContact O-N 3.49Å
57P23.3Very low24.7Very low123 Ų123106.6 Ų106.680%0.79959%0.594SS**  trans-66.394172.826.5-30.6000107.4T59P57-T59 PolarHBondContact O-N 3.04Å; P57-T59 VanDerWaalsContact O-N 3.13Å
58L25.4Very low24.6Very low101 Ų101110.7 Ų110.753%0.52961%0.605SS.*  trans-74.9107.7176.7-73.8166000107.4T56 T65T56-L58 VanDerWaalsContact C-N 3.28Å; T56-L58 PolarHBondContact O-N 3.49Å; L58-T65 HydrophobicContact CD1-CG2 3.83Å
59T22.2Very low24.7Very low103 Ų103106.3 Ų106.363%0.63260%0.598SS**  trans-32.1144149.77.40000109.8P57 T61P57-T59 PolarHBondContact O-N 3.04Å; P57-T59 VanDerWaalsContact O-N 3.13Å; T59-T61 PolarHBondContact O-N 2.87Å; T59-T61 PolarHBondContact O-OG1 3.22Å
60P22Very low24.6Very low132 Ų132109.7 Ų109.786%0.85762%0.617SS**SBendtrans-67.885.6-17429.5-33.3000109.5
61T21.2Very low24.5Very low76 Ų76111.2 Ų111.247%0.46663%0.629SS.*  trans-134.492.5-179.140.60000107.8T59 I63T59-T61 PolarHBondContact O-N 2.87Å; T59-T61 PolarHBondContact O-OG1 3.22Å; T61-I63 PolarHBondContact O-N 2.98Å
62I22.9Very low24.4Very low182 Ų182108.1 Ų108.193%0.93363%0.627SS**SBendtrans26.815.7140.5-23.6-179.7000120.2
63I21Very low24.1Very low131 Ų131112.2 Ų112.267%0.67265%0.652SS**SBendtrans-131.9131-171-56.1-179000107.9T61 T65T61-I63 PolarHBondContact O-N 2.98Å; I63-T65 PolarHBondContact O-N 3.16Å
64P22.7Very low24Very low124 Ų124110.8 Ų110.881%0.80565%0.649SS**  trans-65.8125.2-159.125-33.9000112
65T22.8Very low23.9Very low88 Ų88108.6 Ų108.654%0.5464%0.641SS.*  trans-71.8131.7178-80000109.5L58 I63 V67L58-T65 HydrophobicContact CD1-CG2 3.83Å; I63-T65 PolarHBondContact O-N 3.16Å; T65-V67 PolarHBondContact O-N 3.07Å
66S22.5Very low23.8Very low90 Ų90114.3 Ų114.363%0.62967%0.665SS**  trans-44.6116.7-179.1-31.90000112.6F68S66-F68 PolarHBondContact O-N 3.28Å
67V24.8Very low23.8Very low90 Ų90111.2 Ų111.255%0.54566%0.655SS.*  trans-81111.1178.3-179.90000109.1T65 T69T65-V67 PolarHBondContact O-N 3.07Å; V67-T69 PolarHBondContact O-N 3.47Å
68F25.9Very low23.9Very low125 Ų125113.3 Ų113.355%0.54865%0.654SS.*  trans-87.299.8167.3-75.9-89.6000108.9L55 S66 L70L55-F68 HydrophobicContact CD2-CE2 3.9Å; S66-F68 PolarHBondContact O-N 3.28Å; F68-L70 PolarHBondContact O-N 3.18Å
69T25.5Very low23.9Very low89 Ų89117.4 Ų117.455%0.54667%0.671SS.*  trans-84.3107.5173.7-44.40000108.3V67 T71V67-T69 PolarHBondContact O-N 3.47Å; T69-T71 VanDerWaalsContact C-N 3.28Å; T69-T71 HydrophobicContact CG2-CG2 3.97Å; T69-T71 PolarHBondContact O-N 2.97Å
70L25.7Very low24Very low110 Ų110118.7 Ų118.758%0.57667%0.665SS**  trans-73.586.7167.3-85.3161000108.6F68 G72 P91F68-L70 PolarHBondContact O-N 3.18Å; L70-G72 VanDerWaalsContact C-N 3.27Å; L70-G72 PolarHBondContact O-N 3.33Å; L70-P91 WeakPolarHBondContact O-CB 2.91Å
71T24.3Very low24.1Very low116 Ų116117.7 Ų117.771%0.71266%0.66SS**  trans-71.683.4171.349.50000109.3T69T69-T71 VanDerWaalsContact C-N 3.28Å; T69-T71 HydrophobicContact CG2-CG2 3.97Å; T69-T71 PolarHBondContact O-N 2.97Å
72G24.7Very low24.2Very low46 Ų46122.7 Ų122.747%0.47468%0.678SS.*  trans-6812816200000109L70 V74L70-G72 VanDerWaalsContact C-N 3.27Å; L70-G72 PolarHBondContact O-N 3.33Å; G72-V74 PolarHBondContact O-N 3.2Å
73N24Very low24.2Very low161 Ų161117 Ų11786%0.86165%0.654SS**  trans-48.1106.5178.6-76.1-16.2000110.8V75N73-V75 PolarHBondContact O-N 3.2Å; N73-V75 VanDerWaalsContact O-N 3.08Å
74V26.1Very low24.4Very low114 Ų114117.4 Ų117.469%0.69167%0.665SS**  trans-67.2104.8172-177.70000106.2G72 Q76G72-V74 PolarHBondContact O-N 3.2Å; V74-Q76 PolarHBondContact O-N 3.36Å
75V24.4Very low24.5Very low100 Ų100113.1 Ų113.161%0.60664%0.644SS**  trans-70.190.7168.7-177.10000106.9N73 G77 Y80N73-V75 PolarHBondContact O-N 3.2Å; N73-V75 VanDerWaalsContact O-N 3.08Å; V75-G77 PolarHBondContact O-N 3.07Å; V75-G77 VanDerWaalsContact O-N 3.12Å; V75-Y80 HydrophobicContact CB-CE2 4.48Å; V75-Y80 HydrophobicContact CG1-CE2 3.94Å
76Q23.8Very low24.6Very low192 Ų192117 Ų11790%0.89765%0.648SS**  trans-71.495.9172.2-133-179.322.800107.3V74V74-Q76 PolarHBondContact O-N 3.36Å
77G24.5Very low24.8Very low43 Ų43117.1 Ų117.144%0.44364%0.641SS.*  trans-164.7127.9178.900000112V75 Q79 Y80V75-G77 PolarHBondContact O-N 3.07Å; V75-G77 VanDerWaalsContact O-N 3.12Å; G77-Q79 PolarHBondContact O-N 3.01Å; G77-Y80 WeakPolarHBondContact O-CD2 3.18Å
78Q25.9Very low24.8Very low167 Ų167116.5 Ų116.578%0.7864%0.638SS**THydrogen-bonded Turntrans-62.719.9-175.8-76.5173.6-37.200116
79Q24.7Very low25Very low187 Ų187114.3 Ų114.387%0.87463%0.631SS**THydrogen-bonded Turntrans-104.68.1-170.8-81.1-178.6-1800115.8G77G77-Q79 PolarHBondContact O-N 3.01Å
80Y25.1Very low25.2Very low129 Ų129115.2 Ų115.251%0.50663%0.628SS.*  trans-106.442.6-166.4-75-85.7000116.1V75 G77V75-Y80 HydrophobicContact CB-CE2 4.48Å; V75-Y80 HydrophobicContact CG1-CE2 3.94Å; G77-Y80 WeakPolarHBondContact O-CD2 3.18Å
81C23.7Very low25.5Very low111 Ų111113.6 Ų113.675%0.7562%0.624SS**SBendtrans-113.12.9-178.7-82.10000117.5
82H23.6Very low26Very low182 Ų182111.8 Ų111.884%0.84361%0.609SS**SBendtrans-135.219.7-168.6-63.8-56.6000117.8
83S23.2Very low26.3Very low63 Ų63111 Ų11144%0.44160%0.602SS.*  trans-111.2107.4173.240.10000112.1G85S83-G85 PolarHBondContact O-N 3.06Å; S83-G85 VanDerWaalsContact O-N 3.13Å
84P23.6Very low27Very low138 Ų138105.1 Ų105.190%0.89657%0.573SS**THydrogen-bonded Turntrans-65.7114.1170.327.3-29.1000107.8
85G25.3Very low27.5Very low35 Ų35101.3 Ų101.336%0.36155%0.551SS.*THydrogen-bonded Turntrans120.7-6.6175.700000116.6I40 S83 I87I40-G85 WeakPolarHBondContact CD1-O 2.96Å; S83-G85 PolarHBondContact O-N 3.06Å; S83-G85 VanDerWaalsContact O-N 3.13Å; G85-I87 PolarHBondContact O-N 2.75Å
86R24.3Very low28.3Very low169 Ų16999.8 Ų99.864%0.63854%0.542SS*.  trans-84.5105.3171.7-77-170.3174.8-174.5-1.8110.8T88R86-T88 PolarHBondContact O-N 2.95Å
87I27.6Very low28.9Very low93 Ų9397.7 Ų97.748%0.47753%0.525SS..  trans-74.5105169.1-59173.4000107.7L10 G85 L89L10-I87 HydrophobicContact CD1-CG2 4.12Å; G85-I87 PolarHBondContact O-N 2.75Å; I87-L89 HydrophobicContact CG2-CD2 4.03Å; I87-L89 HydrophobicContact CG2-CG 4.23Å; I87-L89 PolarHBondContact O-N 3.13Å
88T25.8Very low29.5Very low77 Ų77102.6 Ų102.647%0.47254%0.535SS..  trans-78.4104.9169.5-46.90000108.3R86 F90 I117R86-T88 PolarHBondContact O-N 2.95Å; T88-F90 HydrophobicContact CG2-CE2 4.48Å; T88-F90 HydrophobicContact CG2-CZ 4.44Å; T88-F90 PolarHBondContact O-N 2.89Å; T88-I117 WeakPolarHBondContact O-CD1 3.29Å
89L29.1Very low29.9Very low78 Ų7898.9 Ų98.941%0.40852%0.523SS..  trans-81.2106.8170.7-66.6171.7000108K8 I45 I87K8-L89 HydrophobicContact CB-CD2 4.49Å; I45-L89 HydrophobicContact CD1-CD1 4.21Å; I87-L89 HydrophobicContact CG2-CD2 4.03Å; I87-L89 HydrophobicContact CG2-CG 4.23Å; I87-L89 PolarHBondContact O-N 3.13Å
90F28.8Very low30.3Very low108 Ų10893.2 Ų93.247%0.47450%0.499SS..  trans-68.1137.2168.1-69.7-82.6000108.8T88 L92 I117T88-F90 HydrophobicContact CG2-CE2 4.48Å; T88-F90 HydrophobicContact CG2-CZ 4.44Å; T88-F90 PolarHBondContact O-N 2.89Å; F90-L92 PolarHBondContact O-N 2.97Å; F90-I117 HydrophobicContact CD2-CD1 3.76Å; F90-I117 HydrophobicContact CD2-CG1 4.25Å; F90-I117 HydrophobicContact CE2-CD1 3.51Å; F90-I117 HydrophobicContact CE2-CG1 3.89Å
91P32.1Very low30.8Very low76 Ų7692.7 Ų92.749%0.49451%0.505SS..  trans-62.995.4166.826.6-30.5000106.8L70 G93L70-P91 WeakPolarHBondContact O-CB 2.91Å; P91-G93 PolarHBondContact O-N 3.3Å; P91-G93 VanDerWaalsContact O-N 3.14Å
92L34.7Very low31Very low79 Ų7989.7 Ų89.741%0.41449%0.485SS..  trans-61.8115.8162.9-68.9169.1000103.7F90 C94F90-L92 PolarHBondContact O-N 2.97Å; L92-C94 VanDerWaalsContact C-N 3.32Å; L92-C94 WeakPolarHBondContact CB-SG 3.25Å; L92-C94 PolarHBondContact O-N 3.16Å; L92-C94 PolarHBondContact O-SG 3.06Å
93G32.7Very low31.4Very low30 Ų3088.4 Ų88.431%0.30947%0.473SS..  trans-54.2110.1159.600000104.9P91 P108 D109P91-G93 PolarHBondContact O-N 3.3Å; P91-G93 VanDerWaalsContact O-N 3.14Å; G93-P108 CarbonylContact O-C 3.36Å; G93-P108 WeakPolarHBondContact O-CA 3.47Å; G93-D109 WeakPolarHBondContact CA-OD2 3.34Å; G93-D109 PolarHBondContact O-N 3.27Å
94C38.5Very low32Very low37 Ų3789.1 Ų89.125%0.2547%0.471CS..EExtended strand (participates in β ladder)trans-120121.2-178.3-57.40000106.9L92 V96 S107 D109L92-C94 VanDerWaalsContact C-N 3.32Å; L92-C94 WeakPolarHBondContact CB-SG 3.25Å; L92-C94 PolarHBondContact O-N 3.16Å; L92-C94 PolarHBondContact O-SG 3.06Å; C94-V96 HydrophobicContact CB-CG2 4.48Å; C94-V96 PolarHBondContact O-N 3.37Å; C94-S107 CarbonylContact C-O 3.54Å; C94-S107 WeakPolarHBondContact CA-O 3.33Å; C94-D109 PolarHBondContact N-OD2 3.4Å
95S36.7Very low32.7Very low33 Ų3388 Ų8823%0.23145%0.45CS..EExtended strand (participates in β ladder)trans-70.9114.1158.2-9.60000107.5S107 D109S95-S107 WeakPolarHBondContact CB-OG 3.39Å; S95-S107 PolarHBondContact N-O 3.16Å; S95-S107 PolarHBondContact O-N 3.26Å; S95-S107 PolarHBondContact O-OG 3.19Å; S95-S107 PolarHBondContact OG-O 2.79Å; S95-S107 PolarHBondContact OG-OG 2.77Å; S95-D109 WeakPolarHBondContact CA-OD1 3.49Å; S95-D109 VanDerWaalsContact CB-OD1 3.29Å; S95-D109 WeakPolarHBondContact CB-OD1 3.49Å; S95-D109 PolarHBondContact N-OD1 3.37Å; S95-D109 PolarHBondContact OG-OD1 2.81Å
96V40.6Very low33.5Very low69 Ų6988 Ų8842%0.41844%0.444SS..EExtended strand (participates in β ladder)trans-91.1119.4173.8-175.70000107.7F52 C94 I104 Y105F52-V96 HydrophobicContact CE1-CG1 4.38Å; C94-V96 HydrophobicContact CB-CG2 4.48Å; C94-V96 PolarHBondContact O-N 3.37Å; V96-I104 HydrophobicContact CG1-CG2 3.14Å; V96-Y105 CarbonylContact C-O 3.57Å; V96-Y105 WeakPolarHBondContact CA-O 3.33Å
97R35.9Very low34.2Very low147 Ų14781 Ų8156%0.55542%0.42SS*.EExtended strand (participates in β ladder)trans-114.6127.1177.8-59.7-174.3-172.8-155.50.1109.9V99 I104 Y105R97-V99 PolarHBondContact O-N 2.83Å; R97-I104 CarbonylContact O-C 3.4Å; R97-I104 WeakPolarHBondContact O-CA 3.32Å; R97-Y105 PolarHBondContact N-O 2.97Å; R97-Y105 PolarHBondContact O-N 3.4Å
98K38.3Very low34.9Very low147 Ų14778.6 Ų78.664%0.63941%0.411SS*.EExtended strand (participates in β ladder)trans-72.4120.3169.6-174.9177.6178.6179.60108.8N100K98-N100 WeakPolarHBondContact CG-O 3.45Å
99V32.9Very low35.5Very low89 Ų8977.6 Ų77.654%0.53940%0.402SS..EExtended strand (participates in β ladder)trans-89.6-44.4177.91760000109.9R97 R103R97-V99 PolarHBondContact O-N 2.83Å; V99-R103 HydrophobicContact CB-CB 3.83Å; V99-R103 HydrophobicContact CG1-CB 4.27Å; V99-R103 PolarHBondContact N-O 3.15Å
100N34.7Very low35.8Very low67 Ų6780.6 Ų80.636%0.35841%0.412SS..EExtended strand (participates in β ladder)trans-158.5-169.8171.963.231.8000109.5K98 S102 R103K98-N100 WeakPolarHBondContact CG-O 3.45Å; N100-S102 PolarHBondContact O-N 3.15Å; N100-S102 VanDerWaalsContact O-N 3.15Å; N100-S102 WeakPolarHBondContact OD1-CA 3.44Å; N100-S102 PolarHBondContact OD1-N 2.87Å; N100-S102 PolarHBondContact OD1-OG 3.07Å; N100-R103 PolarHBondContact N-O 3.32Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-R103 VanDerWaalsContact OD1-CB 3.3Å; N100-R103 WeakPolarHBondContact OD1-CB 3.46Å; N100-R103 PolarHBondContact OD1-N 3.34Å
101N33.6Very low35.9Very low118 Ų11879.1 Ų79.163%0.63141%0.414SS*.THydrogen-bonded Turntrans-59.2-23.4179.6-84.2-8.3000114.2R141N101-R141 PolarHBondContact O-NE 3.04Å; N101-R141 PolarHBondContact O-NH2 3.12Å
102S29.8Very low35.7Very low48 Ų4880 Ų8034%0.33641%0.414SS..THydrogen-bonded Turntrans-114.4-5-179.152.30000114.7N100N100-S102 PolarHBondContact O-N 3.15Å; N100-S102 VanDerWaalsContact O-N 3.15Å; N100-S102 WeakPolarHBondContact OD1-CA 3.44Å; N100-S102 PolarHBondContact OD1-N 2.87Å; N100-S102 PolarHBondContact OD1-OG 3.07Å
103R31.5Very low35.3Very low156 Ų15682.8 Ų82.859%0.58942%0.42SS*.EExtended strand (participates in β ladder)trans-131.5135.7-170.5-67.5-175.8179.7-177.8-2.8112.3V99 N100V99-R103 HydrophobicContact CB-CB 3.83Å; V99-R103 HydrophobicContact CG1-CB 4.27Å; V99-R103 PolarHBondContact N-O 3.15Å; N100-R103 PolarHBondContact N-O 3.32Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-R103 VanDerWaalsContact OD1-CB 3.3Å; N100-R103 WeakPolarHBondContact OD1-CB 3.46Å; N100-R103 PolarHBondContact OD1-N 3.34Å
104I35.9Very low35Very low78 Ų7882.1 Ų82.140%0.441%0.41SS..EExtended strand (participates in β ladder)trans-124.8133.6173.2-59.1174.8000107.1V96 R97V96-I104 HydrophobicContact CG1-CG2 3.14Å; R97-I104 CarbonylContact O-C 3.4Å; R97-I104 WeakPolarHBondContact O-CA 3.32Å
105Y37.5Very low34.4Very low115 Ų11586.6 Ų86.645%0.45142%0.422SS..EExtended strand (participates in β ladder)trans-102.7131.9173.3-179.2-104.6000108.9V96 R97 L136V96-Y105 CarbonylContact C-O 3.57Å; V96-Y105 WeakPolarHBondContact CA-O 3.33Å; R97-Y105 PolarHBondContact N-O 2.97Å; R97-Y105 PolarHBondContact O-N 3.4Å; Y105-L136 HydrophobicContact CD2-CD1 4.22Å; Y105-L136 HydrophobicContact CE2-CD1 3.72Å
106C41.7Very low33.9Very low35 Ų3586.3 Ų86.324%0.23642%0.42CS..EExtended strand (participates in β ladder)trans-110.8109.2174.1-65.50000108.1L136C106-L136 HydrophobicContact CB-CD2 4.27Å; C106-L136 WeakPolarHBondContact O-CD2 3.2Å
107S39.2Very low33.2Very low20 Ų2088.1 Ų88.114%0.1443%0.427CS..EExtended strand (participates in β ladder)trans-99.5133.1167.453.30000110C94 S95 D109C94-S107 CarbonylContact C-O 3.54Å; C94-S107 WeakPolarHBondContact CA-O 3.33Å; S95-S107 WeakPolarHBondContact CB-OG 3.39Å; S95-S107 PolarHBondContact N-O 3.16Å; S95-S107 PolarHBondContact O-N 3.26Å; S95-S107 PolarHBondContact O-OG 3.19Å; S95-S107 PolarHBondContact OG-O 2.79Å; S95-S107 PolarHBondContact OG-OG 2.77Å; S107-D109 PolarHBondContact O-N 2.88Å
108P43.3Very low32.7Very low44 Ų4486.7 Ų86.729%0.28642%0.422SS..EExtended strand (participates in β ladder)trans-59.9128.9167.224.1-30.5000110.4G93 K110G93-P108 CarbonylContact O-C 3.36Å; G93-P108 WeakPolarHBondContact O-CA 3.47Å; P108-K110 PolarHBondContact O-N 3.46Å; P108-K110 VanDerWaalsContact O-N 3.09Å
109D38.3Very low32.2Very low55 Ų5587.5 Ų87.529%0.29443%0.434SS..SBendtrans-59.5-19179.1-73.3-42000112.4G93 C94 S95 S107G93-D109 WeakPolarHBondContact CA-OD2 3.34Å; G93-D109 PolarHBondContact O-N 3.27Å; C94-D109 PolarHBondContact N-OD2 3.4Å; S95-D109 WeakPolarHBondContact CA-OD1 3.49Å; S95-D109 VanDerWaalsContact CB-OD1 3.29Å; S95-D109 WeakPolarHBondContact CB-OD1 3.49Å; S95-D109 PolarHBondContact N-OD1 3.37Å; S95-D109 PolarHBondContact OG-OD1 2.81Å; S107-D109 PolarHBondContact O-N 2.88Å
110K34.6Very low31.9Very low141 Ų14187.4 Ų87.461%0.61343%0.433SS*.  trans-138.5107.6168.9-67-175.6179.91780108.8P108 D112 Y113P108-K110 PolarHBondContact O-N 3.46Å; P108-K110 VanDerWaalsContact O-N 3.09Å; K110-D112 PolarHBondContact O-N 3.37Å; K110-Y113 HydrophobicContact CB-CD2 4.4Å; K110-Y113 HydrophobicContact CD-CD2 4.44Å
111P31.3Very low31.5Very low78 Ų7887.9 Ų87.951%0.50645%0.454SS..G310 helixtrans-64.1-19.3174.926.7-33.3000112.2Y113P111-Y113 VanDerWaalsContact C-N 3.27Å; P111-Y113 PolarHBondContact O-N 3.13Å
112D27.7Very low31.1Very low93 Ų9387.4 Ų87.450%0.49745%0.451SS..G310 helixtrans-75-8.3-172.1-59.5-34000115K110K110-D112 PolarHBondContact O-N 3.37Å
113Y25.8Very low31.1Very low139 Ų13988.3 Ų88.355%0.54546%0.455SS..G310 helixtrans-139.459.4-175.4-59.2-81000112K110 P111 Y115K110-Y113 HydrophobicContact CB-CD2 4.4Å; K110-Y113 HydrophobicContact CD-CD2 4.44Å; P111-Y113 VanDerWaalsContact C-N 3.27Å; P111-Y113 PolarHBondContact O-N 3.13Å; Y113-Y115 PolarHBondContact O-N 2.91Å
114V27.7Very low31Very low15 Ų1583.8 Ų83.89%0.09144%0.44CS..EExtended strand (participates in β ladder)trans-81111.6160.5-177.70000106.5S116 F124 L134V114-S116 PolarHBondContact O-N 2.85Å; V114-F124 HydrophobicContact CB-CB 3.84Å; V114-F124 HydrophobicContact CB-CD1 3.89Å; V114-F124 HydrophobicContact CB-CG 3.99Å; V114-F124 HydrophobicContact CG2-CD1 4.21Å; V114-F124 WeakPolarHBondContact O-CA 3.34Å; V114-F124 WeakPolarHBondContact O-CB 2.74Å; V114-F124 PolarHBondContact O-N 3.09Å; V114-L134 HydrophobicContact CG2-CD1 4.48Å
115Y26.5Very low30.6Very low131 Ų13185 Ų8551%0.51445%0.452SS..EExtended strand (participates in β ladder)trans-74.3102.2170.8-79-85.9000108.1Y113 I117 P123Y113-Y115 PolarHBondContact O-N 2.91Å; Y115-I117 VanDerWaalsContact C-N 3.32Å; Y115-I117 WeakPolarHBondContact O-CG1 3.37Å; Y115-I117 PolarHBondContact O-N 2.67Å; Y115-P123 HydrophobicContact CE1-CB 4.4Å
116S25.9Very low30.1Very low27 Ų2781.3 Ų81.319%0.18945%0.448CS..  trans-70.195167.2-176.50000107.7V114 Y118V114-S116 PolarHBondContact O-N 2.85Å; S116-Y118 PolarHBondContact O-N 2.8Å; S116-Y118 VanDerWaalsContact O-N 3.07Å; S116-Y118 WeakPolarHBondContact OG-CD2 3.43Å
117I25.6Very low29.2Very low108 Ų10884.5 Ų84.555%0.55447%0.466SS*.  trans-74.616.1172.5-11.6167.2000111.4T88 F90 Y115 N119T88-I117 WeakPolarHBondContact O-CD1 3.29Å; F90-I117 HydrophobicContact CD2-CD1 3.76Å; F90-I117 HydrophobicContact CD2-CG1 4.25Å; F90-I117 HydrophobicContact CE2-CD1 3.51Å; F90-I117 HydrophobicContact CE2-CG1 3.89Å; Y115-I117 VanDerWaalsContact C-N 3.32Å; Y115-I117 WeakPolarHBondContact O-CG1 3.37Å; Y115-I117 PolarHBondContact O-N 2.67Å; I117-N119 PolarHBondContact O-N 3Å
118Y25.3Very low28.6Very low116 Ų11693.2 Ų93.246%0.45550%0.502SS..SBendtrans-69.186.1164.8-75.2-69.9000108.7L10 S116 T120L10-Y118 HydrophobicContact CD2-CE1 4.03Å; S116-Y118 PolarHBondContact O-N 2.8Å; S116-Y118 VanDerWaalsContact O-N 3.07Å; S116-Y118 WeakPolarHBondContact OG-CD2 3.43Å; Y118-T120 WeakPolarHBondContact O-CB 3.18Å; Y118-T120 WeakPolarHBondContact O-CG2 3.43Å; Y118-T120 PolarHBondContact O-N 2.81Å; Y118-T120 PolarHBondContact O-OG1 2.98Å
119N27.1Very low27.8Very low165 Ų16595 Ų9588%0.88252%0.515SS*.SBendtrans50.78.9155.4-134.325.3000118.6I117I117-N119 PolarHBondContact O-N 3Å
120T26Very low27.2Very low87 Ų8797.7 Ų97.753%0.53454%0.536SS..SBendtrans-121.8-19.5-16952.40000112.9Y118 L122Y118-T120 WeakPolarHBondContact O-CB 3.18Å; Y118-T120 WeakPolarHBondContact O-CG2 3.43Å; Y118-T120 PolarHBondContact O-N 2.81Å; Y118-T120 PolarHBondContact O-OG1 2.98Å; T120-L122 PolarHBondContact O-N 2.78Å; T120-L122 VanDerWaalsContact O-N 3.16Å
121G26.6Very low26.7Very low76 Ų7697.8 Ų97.878%0.78454%0.538SS*.  trans63.415.6-17800000113.6
122L26.9Very low26.5Very low109 Ų109100.1 Ų100.157%0.57154%0.542SS*.  trans-98.9141-175.9-67.7171.1000111T120T120-L122 PolarHBondContact O-N 2.78Å; T120-L122 VanDerWaalsContact O-N 3.16Å
123P27.9Very low26.3Very low66 Ų66104.2 Ų104.243%0.42956%0.558SS.*EExtended strand (participates in β ladder)trans-64137.4170.326.9-32.1000110Y115 T125Y115-P123 HydrophobicContact CE1-CB 4.4Å; P123-T125 PolarHBondContact O-N 2.73Å
124F30.7Very low26.5Very low61 Ų61102 Ų10227%0.26856%0.556SS.*EExtended strand (participates in β ladder)trans-68.1104.9168.9-175.4-100.2000108.2V114 G126V114-F124 HydrophobicContact CB-CB 3.84Å; V114-F124 HydrophobicContact CB-CD1 3.89Å; V114-F124 HydrophobicContact CB-CG 3.99Å; V114-F124 HydrophobicContact CG2-CD1 4.21Å; V114-F124 WeakPolarHBondContact O-CA 3.34Å; V114-F124 WeakPolarHBondContact O-CB 2.74Å; V114-F124 PolarHBondContact O-N 3.09Å; F124-G126 PolarHBondContact O-N 2.91Å; F124-G126 VanDerWaalsContact O-N 3.14Å
125T27Very low26.5Very low105 Ų105108.2 Ų108.264%0.64459%0.588SS**  trans-74.4100.3167.3510000106.6P123 T127P123-T125 PolarHBondContact O-N 2.73Å; T125-T127 PolarHBondContact O-N 2.93Å
126G26.1Very low26.6Very low37 Ų37106.7 Ų106.738%0.38159%0.588SS.*  trans-63.234.1-176.800000115.8F124F124-G126 PolarHBondContact O-N 2.91Å; F124-G126 VanDerWaalsContact O-N 3.14Å
127T24.3Very low26.7Very low101 Ų101111.1 Ų111.162%0.6261%0.609SS**SBendtrans-137111.8-179.449.80000109.2T125T125-T127 PolarHBondContact O-N 2.93Å
128K26.6Very low26.7Very low204 Ų204110.7 Ų110.789%0.88762%0.616SS**  trans82.530.9159.8-48.6179.7179.9-178.70119.5P130K128-P130 WeakPolarHBondContact O-CD 3.47Å
129S25.2Very low26.9Very low80 Ų80108.8 Ų108.856%0.55961%0.612SS**  trans-90.9118.8159178.20000110.2H131S129-H131 PolarHBondContact O-N 3.49Å; S129-H131 VanDerWaalsContact O-N 3.15Å; S129-H131 PolarHBondContact OG-N 2.89Å; S129-H131 PolarHBondContact OG-O 2.76Å
130P25.6Very low26.8Very low112 Ų112107.7 Ų107.773%0.72761%0.606SS**SBendtrans-73.89174.529-31.7000113.7K128K128-P130 WeakPolarHBondContact O-CD 3.47Å
131H24.8Very low26.7Very low143 Ų143111.6 Ų111.666%0.66261%0.611SS**SBendtrans-136.5131.1-177.1-59.7-56000109.2S129S129-H131 PolarHBondContact O-N 3.49Å; S129-H131 VanDerWaalsContact O-N 3.15Å; S129-H131 PolarHBondContact OG-N 2.89Å; S129-H131 PolarHBondContact OG-O 2.76Å
132E26.6Very low26.6Very low127 Ų127113.3 Ų113.359%0.59361%0.606SS**  trans9666.2-178.1-54.4-177.4170.400114.9L134E132-L134 PolarHBondContact O-N 3.39Å
133E24.8Very low26.4Very low179 Ų179114.3 Ų114.384%0.83662%0.617SS**  trans-53.3121.9144.6-91.1179.8149.100107.8D135E133-D135 VanDerWaalsContact C-N 3.32Å; E133-D135 PolarHBondContact O-N 3.25Å
134L29.3Very low26.3Very low94 Ų94115 Ų11549%0.49262%0.623SS.*  trans-6599163.6-88.2151.9000106.7V114 E132 L136V114-L134 HydrophobicContact CG2-CD1 4.48Å; E132-L134 PolarHBondContact O-N 3.39Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.15Å
135D28.1Very low26Very low145 Ų145117.8 Ų117.878%0.77565%0.646SS**  trans-56.894.6168.7-82-25.5000108.6E133 I137E133-D135 VanDerWaalsContact C-N 3.32Å; E133-D135 PolarHBondContact O-N 3.25Å; D135-I137 PolarHBondContact O-N 3.16Å
136L29.1Very low25.9Very low98 Ų98115.8 Ų115.851%0.51364%0.636SS.*  trans-72.6104.4169.1-77.2166.9000106.9Y105 C106 L134 S138Y105-L136 HydrophobicContact CD2-CD1 4.22Å; Y105-L136 HydrophobicContact CE2-CD1 3.72Å; C106-L136 HydrophobicContact CB-CD2 4.27Å; C106-L136 WeakPolarHBondContact O-CD2 3.2Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.15Å; L136-S138 PolarHBondContact O-N 3.38Å
137I27.7Very low25.9Very low120 Ų120119 Ų11962%0.61566%0.659SS**  trans-58.3112.1179-59.1-179.7000109.1Y7 D135Y7-I137 WeakPolarHBondContact O-CD1 3.44Å; D135-I137 PolarHBondContact O-N 3.16Å
138S25.8Very low26.1Very low100 Ų100125.3 Ų125.370%0.69967%0.671SS**  trans-66.7137.5167.557.10000110L136L136-S138 PolarHBondContact O-N 3.38Å
139M28.3Very low26.1Very low75 Ų75123 Ų12337%0.36966%0.663SS.*  trans-108.2121.6-175.5-149.5178.35800110.2C4 Y5C4-M139 HydrophobicContact CB-CE 3.88Å; C4-M139 HydrophobicContact CB-SD 4.46Å; Y5-M139 VanDerWaalsContact O-SD 3.38Å
140D25.1Very low26.4Very low142 Ų142124.3 Ų124.376%0.75967%0.668SS**  trans-82.8139.2175.7-84.6-31.6000112.2T142D140-T142 VanDerWaalsContact C-N 3.35Å; D140-T142 PolarHBondContact O-N 2.71Å
141R24.5Very low26.5Very low169 Ų169127 Ų12764%0.63867%0.671SS**  trans-73.880.1173.9-83-176165.4-167.1-22.3110.3N101N101-R141 PolarHBondContact O-NE 3.04Å; N101-R141 PolarHBondContact O-NH2 3.12Å
142T23.7Very low26.6Very low113 Ų113129.2 Ų129.269%0.69368%0.681SS**  trans-138131.9171.444.10000112.4D140D140-T142 VanDerWaalsContact C-N 3.35Å; D140-T142 PolarHBondContact O-N 2.71Å
143T24.4Very low26.7Very low129 Ų129126.5 Ų126.579%0.79169%0.687SS**  trans72.66317065.30000118.4
144S24.5Very low26.9Very low80 Ų80125 Ų12556%0.55968%0.684SS**  trans-9576.1151.6650000109.8Q2Q2-S144 PolarHBondContact NE2-OG 3.14Å
145T24Very low26.9Very low121 Ų121128.2 Ų128.274%0.74270%0.702SS**  trans-102.6111.7170.780000109.1
146S24.7Very low26.7Very low63 Ų63124.3 Ų124.344%0.44170%0.696SS.*  trans41.873161.871.10000120.9R148 E149S146-R148 PolarHBondContact O-N 3.48Å; S146-R148 VanDerWaalsContact O-N 3.11Å; S146-E149 PolarHBondContact OG-OE2 3.04Å
147A26.6Very low26.6Very low104 Ų104124.6 Ų124.686%0.8671%0.706SS**THydrogen-bonded Turntrans-72.414.4152.400000113.5
148R29Very low26.5Very low233 Ų233130.2 Ų130.288%0.87972%0.721SS**THydrogen-bonded Turntrans-114.62-175-127.5-178.2-178.3-176.2-0.2114.8S146S146-R148 PolarHBondContact O-N 3.48Å; S146-R148 VanDerWaalsContact O-N 3.11Å
149E27.5Very low26.7Very low155 Ų155135.3 Ų135.372%0.72473%0.731SS**SBendtrans-112.90.8-180-76.2176.4149.400114.4S146S146-E149 PolarHBondContact OG-OE2 3.04Å
150V29.9Very low26.6Very low108 Ų108139.7 Ų139.766%0.65576%0.755SS**SBendtrans-97-5.4179.5-174.90000112.6
151Q28.3Very low26.7Very low168 Ų168144.3 Ų144.379%0.78576%0.762SS**SBendtrans-90.7-5.8-173.4-138168.112.200114.9
152E27.7Very low26.8Very low190 Ų190142.5 Ų142.589%0.88877%0.772SS**SBendtrans-102.4-5.9175.1-72.8-174.8158.900114.1
153G28Very low27Very low70 Ų70141.4 Ų141.472%0.72278%0.775SS**SBendtrans-88-6.5179.100000115.8
154L28.9Very low27.1Very low147 Ų147143.4 Ų143.477%0.7778%0.777SS**SBendtrans-109.16.8-167.7-73.8164.9000114.8
155N28.4Very low27.2Very low163 Ų163147.1 Ų147.187%0.87279%0.791SS**SBendtrans-99.420.5-179.4-99.1-7.1000115.2
156G25.4Very low27.5Very low62 Ų62144.6 Ų144.664%0.63979%0.789SS**  trans-145.676-177.900000113.9
157S25.5Very low27.5Very low105 Ų105147.8 Ų147.873%0.73481%0.806SS**  trans-177.962.4155.825.50000113.8
158Y26.9Very low27.7Very low237 Ų237150.4 Ų150.493%0.92980%0.804SS**  trans-14385.2155.8-71.7-77000110.6
159K29.1Very low27.7Very low208 Ų208148.6 Ų148.690%0.90480%0.803SS**  trans-162.1112.1143.2-113169.8-174.8179.60112.4
160L27.1Very low28Very low167 Ų167146.6 Ų146.687%0.87480%0.803SS**  trans-32.8124.5158.6-70.2102.7000114.5
161R27.7Very low28Very low238 Ų238148.8 Ų148.890%0.89881%0.806SS**  162.3131.8120.8-99.4-175.1176.2179.8-0.3110.4
162P26Very low28Very low131 Ų131151 Ų15185%0.85181%0.807SS**  trans-89.8116.9166.733.4-24.3000108.9
163A26.6Very low28.1Very low91 Ų91147.4 Ų147.475%0.75280%0.804SS**  trans-173.3109.3156.600000111.3
164M27.1Very low27.9Very low171 Ų171149.2 Ų149.284%0.84281%0.805SS**  trans51.3119.1139.4-67.3-171.6145.200121.5
165N28Very low27.9Very low157 Ų157147.7 Ų147.784%0.8481%0.807SS**  trans69.7127.5134.2-64.3-10.8000121.4
166G29Very low27.7Very low69 Ų69146.4 Ų146.471%0.71181%0.805SS**  trans109.890156.700000113.6
167V25.2Very low27.7Very low130 Ų130149.1 Ų149.179%0.78881%0.811SS**  73125.774.5-1750000113.5
168L30.6Very low27.5Very low158 Ų158150 Ų15083%0.82781%0.812SS**  trans88.4141.8164.7-47175.3000117.5
169K30Very low27.3Very low195 Ų195144.3 Ų144.385%0.84881%0.807SS**  cis-174.3159-36.9-120.2-169179.7-179.70104.9
170P32.8Very low26.9Very low113 Ų113139.2 Ų139.273%0.73480%0.797SS**  trans-103.8160.5-161.239.1-33.2000115.2
171E30.4Very low26.7Very low155 Ų155137 Ų13772%0.72479%0.791SS**  trans-156.6130.4159.5-85.9-153.4126.500114.6
172R27.7Very low26.4Very low213 Ų213135.1 Ų135.180%0.80479%0.792SS**  trans49.7140.8133-61.9176.8171172.8-5.5119.2
173S29.9Very low26.2Very low116 Ų116136.3 Ų136.381%0.81179%0.79SS**  cis-175.7162.540.511.90000111.9
174S23.7Very low26Very low108 Ų108138.2 Ų138.276%0.75579%0.793SS**  trans-52.4151.3177.958.10000118.7
175S27.9Very low25.8Very low115 Ų115134.9 Ų134.980%0.80479%0.786SS**  -179134.2120.8420000111.8
176V24.2Very low25.6Very low136 Ų136133 Ų13382%0.82478%0.78SS**  trans-98.1145.4162.1179.10000106.5
177P25.9Very low25.3Very low118 Ų118136.2 Ų136.277%0.76678%0.781SS**  -144.9154.3121.128.6-8.6000115.1
178T22.6Very low25.2Very low125 Ų125137.9 Ų137.977%0.76779%0.785SS**  trans-60156.6169.135.50000115.1
179S22.2Very low24.7Very low116 Ų116136.4 Ų136.481%0.81178%0.783SS**  trans110.7119.3143.673.40000119.8
180S20.9Very low24.3Very low102 Ų102134.9 Ų134.971%0.71378%0.782SS**  trans69.6112.7139.9-131.10000121.9
181T21.7Very low23.8Very low121 Ų121133.9 Ų133.974%0.74278%0.778SS**  trans50.3113.3136.344.90000119.2
182Q21.9Very low23.5Very low197 Ų197131 Ų13192%0.92178%0.781SS**  -166.4139.7121-104.8168.422.700111.3
183I21.8Very low23.2Very low156 Ų156129.6 Ų129.680%0.878%0.781SS**  trans-86.3165.9-176.5-64.2165.8000109.8
184T22.8Very low22.9Very low132 Ų132134 Ų13481%0.8178%0.781SS**  trans99.8133.6167.268.50000113
185S23Very low22.9Very low100 Ų100134.4 Ų134.470%0.69978%0.779SS**  cis-159.11579.140.50000105.2
186T23.6Very low22.6Very low117 Ų117132.8 Ų132.872%0.71877%0.766SS**  175.2131.878.837.30000109.1
187D22.5Very low22.7Very low138 Ų138134.6 Ų134.674%0.73877%0.771SS**  trans44.599.3142.8-58.6-36.5000120.6
188D22.4Very low22.5Very low164 Ų164131.6 Ų131.688%0.87776%0.761SS**  trans-161.182.2131.9-97.1-23.9000108.8I190D188-I190 PolarHBondContact O-N 2.86Å
189V20.8Very low22.5Very low127 Ų127137.2 Ų137.277%0.7777%0.77SS**  trans-8098.7175.9-178.90000108.5S191V189-S191 PolarHBondContact O-N 3.27Å; V189-S191 VanDerWaalsContact O-N 3.1Å
190I22.2Very low22.6Very low163 Ų163139.9 Ų139.984%0.83677%0.769SS**  trans-75.898.6162.9-60.6177.4000107.1D188 A192D188-I190 PolarHBondContact O-N 2.86Å; I190-A192 PolarHBondContact O-N 3.08Å; I190-A192 VanDerWaalsContact O-N 3.08Å
191S21.6Very low22.7Very low93 Ų93144.2 Ų144.265%0.6578%0.779SS**  trans-63.2101.8176.2-1700000110.4V189 K193V189-S191 PolarHBondContact O-N 3.27Å; V189-S191 VanDerWaalsContact O-N 3.1Å; S191-K193 PolarHBondContact O-N 3.14Å
192A23.2Very low22.8Very low95 Ų95146.6 Ų146.679%0.78579%0.786SS**  trans-73.1103.7162.900000107.9I190 Y194I190-A192 PolarHBondContact O-N 3.08Å; I190-A192 VanDerWaalsContact O-N 3.08Å; A192-Y194 PolarHBondContact O-N 3.2Å
193K22.6Very low22.9Very low183 Ų183141.6 Ų141.680%0.79678%0.778SS**  trans-63.6110.2171-78.4-172.7178.1-175.80108.9S191 V195S191-K193 PolarHBondContact O-N 3.14Å; K193-V195 PolarHBondContact O-N 2.89Å; K193-V195 VanDerWaalsContact O-N 3.15Å
194Y23.5Very low23.1Very low207 Ų207141.7 Ų141.781%0.81278%0.78SS**  trans-55.4110.8157.9-172.2-100.9000107.9A192 P196A192-Y194 PolarHBondContact O-N 3.2Å; Y194-P196 HydrophobicContact CD1-CB 4.37Å; Y194-P196 HydrophobicContact CD1-CG 4.41Å; Y194-P196 HydrophobicContact CE1-CB 3.97Å; Y194-P196 HydrophobicContact CE1-CG 4.43Å; Y194-P196 VanDerWaalsContact O-CD 3.28Å; Y194-P196 WeakPolarHBondContact O-CD 3.4Å
195V22.9Very low23.2Very low118 Ų118139.9 Ų139.972%0.71577%0.771SS**  trans-97.2101.6168-178.50000106.2K193 N197K193-V195 PolarHBondContact O-N 2.89Å; K193-V195 VanDerWaalsContact O-N 3.15Å; V195-N197 PolarHBondContact O-N 3.09Å
196P23.1Very low23.3Very low81 Ų81142.6 Ų142.653%0.52678%0.778SS.*  trans-64.3132.8167.726.5-27.7000107.1Y194 G198Y194-P196 HydrophobicContact CD1-CB 4.37Å; Y194-P196 HydrophobicContact CD1-CG 4.41Å; Y194-P196 HydrophobicContact CE1-CB 3.97Å; Y194-P196 HydrophobicContact CE1-CG 4.43Å; Y194-P196 VanDerWaalsContact O-CD 3.28Å; Y194-P196 WeakPolarHBondContact O-CD 3.4Å; P196-G198 PolarHBondContact O-N 2.72Å
197N24.8Very low23.4Very low174 Ų174143.5 Ų143.593%0.9379%0.787SS**  trans-65.176.8161.9-87.4-23.3000108.1V195V195-N197 PolarHBondContact O-N 3.09Å
198G23.1Very low23.6Very low55 Ų55145.5 Ų145.557%0.56779%0.792SS**  trans-106.4114.8166.700000107.6P196 E200P196-G198 PolarHBondContact O-N 2.72Å; G198-E200 VanDerWaalsContact C-N 3.32Å; G198-E200 PolarHBondContact O-N 3.31Å
199Y22.5Very low23.6Very low242 Ų242142 Ų14295%0.94978%0.781SS**  trans-60.294.7161.4-83-103.9000108.3
200E24Very low23.9Very low172 Ų172144.4 Ų144.480%0.80478%0.781SS**  trans-13389.5167.3-81.8-170162.500110.3G198 L202G198-E200 VanDerWaalsContact C-N 3.32Å; G198-E200 PolarHBondContact O-N 3.31Å; E200-L202 PolarHBondContact O-N 3.22Å; E200-L202 VanDerWaalsContact O-N 3.12Å
201Q22.8Very low23.9Very low194 Ų194141.8 Ų141.891%0.90778%0.777SS**  trans4.790.1132.5-161.8172.970.300115.3
202L24.5Very low24.1Very low170 Ų170147.6 Ų147.689%0.8979%0.786SS**  trans-118.895.7157.3-83.6165.6000108E200E200-L202 PolarHBondContact O-N 3.22Å; E200-L202 VanDerWaalsContact O-N 3.12Å
203A22.3Very low24Very low93 Ų93152.4 Ų152.477%0.76979%0.789SS**  trans-59.8128.6161.300000108.8
204D26.7Very low24.2Very low157 Ų157152 Ų15284%0.8479%0.79SS**  trans-125.5121.4154.3-137.7-7.3000107.1
205P24.7Very low24.4Very low95 Ų95149.3 Ų149.362%0.61779%0.79SS**  trans-79.7153-176.534.3-29.9000109
206N26.3Very low24.4Very low157 Ų157147 Ų14784%0.8479%0.79SS**  trans89.470.6177.6-48.8-32.4000116
207C25.3Very low24.6Very low136 Ų136151 Ų15192%0.91981%0.806SS**  trans-146.585.2140.8-132.20000109.9
208E25.8Very low24.5Very low180 Ų180148.8 Ų148.884%0.84180%0.798SS**  trans-66.2129.9172.2-75.5-172.9146.700111.3
209S23.9Very low24.7Very low91 Ų91151.8 Ų151.864%0.63681%0.807SS**  trans68.5112142.374.60000118
210K25.5Very low24.8Very low176 Ų176145.3 Ų145.377%0.76580%0.798SS**  178.6100.2103-90.4157.6-171.7179.20110.5
211S23.4Very low25.1Very low109 Ų109144 Ų14476%0.76280%0.801SS**  trans23.7105.7134.747.80000117.6
212Y24.2Very low25.2Very low214 Ų214140.2 Ų140.284%0.83980%0.797SS**  trans-119.4111146.4-92.9-89.3000109.1
213K23Very low25.5Very low196 Ų196137.3 Ų137.385%0.85279%0.79SS**  trans-67.1132.3164.8-72.4178.4173.5-179.50108.2
214Q26.9Very low25.9Very low175 Ų175137.5 Ų137.582%0.81879%0.786SS**  trans-131125.6160.4-160.3166.9500109.6
215N26.6Very low26Very low151 Ų151136.8 Ų136.881%0.80778%0.782SS**  trans-75.7145.4-168.2-64.4-39.6000113.3
216G23.9Very low26.3Very low70 Ų70138.8 Ų138.872%0.72279%0.788SS**  trans56.4125.4144.700000117.6
217I26Very low26.4Very low165 Ų165138.9 Ų138.985%0.84679%0.788SS**  -152.5125.663.9-73.7152000108.5
218V23.7Very low26.7Very low127 Ų127138 Ų13877%0.7778%0.783SS**  trans-105.3123.3169.9174.70000107.2S220V218-S220 PolarHBondContact O-N 2.96Å
219P27.7Very low26.8Very low117 Ų117134.9 Ų134.976%0.7678%0.781SS**  trans-83.2110.3164.66.511000108.9T221P219-T221 PolarHBondContact O-N 3.16Å
220S23.5Very low27.4Very low107 Ų107136 Ų13675%0.74879%0.786SS**  trans-62.7117.9172-45.80000110.9V218V218-S220 PolarHBondContact O-N 2.96Å
221T29.5Very low27.6Very low143 Ų143132.3 Ų132.388%0.87778%0.782SS**  trans-137.2106.8146.447.10000109.2P219P219-T221 PolarHBondContact O-N 3.16Å
222S26Very low27.9Very low116 Ų116135.4 Ų135.481%0.81179%0.785SS**  trans-76.3125.1170.6430000110.6
223S30.8Very low28.1Very low108 Ų108130.9 Ų130.976%0.75579%0.785SS**  -179.6114.9127.660.40000112.7
224S30.4Very low28.4Very low97 Ų97126.2 Ų126.268%0.67878%0.776SS**  trans59.7110.9136.962.90000122.2
225N29.1Very low28.5Very low142 Ų142125.1 Ų125.176%0.75977%0.774SS**  69.6110.5118.7-61.2-6.5000120.6
226N31.2Very low28.6Very low138 Ų138124.1 Ų124.174%0.73878%0.778SS**  146.3102.5124.3-73-29.4000108.1
227L27.6Very low28.7Very low159 Ų159123.8 Ų123.883%0.83277%0.774SS**  47.410991.4-60.4173000109.9
228S32.4Very low29Very low118 Ų118122.3 Ų122.383%0.82578%0.779SS**  -169.9143.959.9-61.10000111.9
229S28.5Very low29.1Very low113 Ų113121.1 Ų121.179%0.7978%0.783SS**  trans-87.4-166161.3-35.40000110
230P34.6Very low29.4Very low114 Ų114121.2 Ų121.274%0.7479%0.786SS**  cis-134.6-158.5-40.929.4-6.3000111.8
231S30.2Very low29.7Very low100 Ų100119.4 Ų119.470%0.69978%0.784SS**  trans98.6145.4155.2-450000117.1
232E29.6Very low29.6Very low174 Ų174120 Ų12081%0.81378%0.781SS**  cis-177.7152.2-12-107.2-176.4147.800106.2
233S28.3Very low29.6Very low119 Ų119120.8 Ų120.883%0.83278%0.776SS**  trans67.7151.5156.679.20000118.5
234S31Very low29.4Very low97 Ų97120.6 Ų120.668%0.67877%0.771SS**  cis-161134.521.561.30000108.8
235I27.5Very low29.3Very low152 Ų152121.6 Ų121.678%0.77977%0.773SS**  66.6128.499.8-55171.5000117.2
236C28.2Very low29.1Very low130 Ų130121.8 Ų121.888%0.87877%0.774SS**  trans68.8139159.7-79.30000117.7
237G26.2Very low29.1Very low63 Ų63121 Ų12165%0.64978%0.779SS**  cis163.1169.98.400000108.4
238S32.6Very low29.1Very low134 Ų134121.7 Ų121.794%0.93778%0.783SS**  trans91.8115.9163.1-50.60000118.3
239A26.1Very low29.1Very low103 Ų103121 Ų12185%0.85178%0.778SS**  trans-80.4139.5169.600000112
240S34.8Very low29Very low118 Ų118122.4 Ų122.483%0.82578%0.777SS**  trans-179.5116150.852.60000104.8
241G28Very low28.6Very low70 Ų70124.1 Ų124.172%0.72278%0.78SS**  105.9100.555.700000108
242L27.5Very low28.6Very low154 Ų154125.5 Ų125.581%0.80678%0.783SS**  trans72.4132.7151.8-73.8150.7000121
243D26.5Very low28.4Very low133 Ų133127.4 Ų127.471%0.71179%0.789SS**  trans67.8140139.2-75.1-12.5000118
244T27.6Very low28.3Very low105 Ų105124.9 Ų124.964%0.64478%0.782SS**  cis-166.6147.33.919.70000106.9
245T26.8Very low28Very low118 Ų118125.7 Ų125.772%0.72479%0.787SS**  trans53144.8145.1590000122.9
246D25.3Very low27.9Very low146 Ų146126.1 Ų126.178%0.78179%0.791SS**  trans80.3100.8155.9-66-12.8000118.6
247S32.3Very low27.7Very low121 Ų121128 Ų12885%0.84679%0.792SS**  -161108.8126.2-78.70000110.5
248L27Very low27.6Very low174 Ų174128.2 Ų128.291%0.91179%0.794SS**  trans-63.7137.7162.9-67.5163.1000110
249S32Very low27.1Very low103 Ų103127.5 Ų127.572%0.7279%0.789SS**  trans-167.599.3154.533.80000106.8
250D26.8Very low27Very low143 Ų143128.6 Ų128.677%0.76579%0.785SS**  81.1131.885.1-83.8-18.9000113.4
251N27.2Very low26.4Very low150 Ų150127.7 Ų127.780%0.80278%0.784SS**  trans88.4120.7165.1-49.5-37.3000114.7
252V28.3Very low26.2Very low128 Ų128130.3 Ų130.378%0.77679%0.786SS**  cis-152.8109.826.5175.60000109.1
253F25.9Very low25.9Very low214 Ų214130.2 Ų130.294%0.93978%0.784SS**  trans-88.599.1150.6-95.1-86.8000106.5
254G26.1Very low25.8Very low66 Ų66130.8 Ų130.868%0.6878%0.782SS**  trans-92.293169.800000108.9D256G254-D256 PolarHBondContact O-N 3.49Å
255C25.2Very low25.6Very low115 Ų115136.2 Ų136.278%0.77779%0.791SS**  trans-75.1111.8157.8-68.20000107
256D26.3Very low25.4Very low161 Ų161138.8 Ų138.886%0.86179%0.792SS**  trans-151.5134.9152.6-109.3-21.3000110.4G254G254-D256 PolarHBondContact O-N 3.49Å
257D24.1Very low25.3Very low169 Ų169137.2 Ų137.290%0.90479%0.793SS**  trans-61.3135.4-169.2-74.2-48.8000113.9
258G23.4Very low24.7Very low67 Ų67138.3 Ų138.369%0.69178%0.784SS**  trans-179.860178.300000114.9V260G258-V260 PolarHBondContact O-N 2.7Å
259S22.9Very low24.5Very low120 Ų120136.5 Ų136.584%0.83977%0.774SS**  trans10.1103.1149.959.70000118.4
260V22.5Very low24Very low125 Ų125141.2 Ų141.276%0.75878%0.776SS**  trans-150.9110133.4-1740000107.7G258 V262G258-V260 PolarHBondContact O-N 2.7Å; V260-V262 PolarHBondContact O-N 2.53Å
261A22.1Very low23.9Very low99 Ų99142.3 Ų142.382%0.81878%0.781SS**  trans-64.3101166.500000108.6M263A261-M263 VanDerWaalsContact C-N 3.33Å; A261-M263 PolarHBondContact O-N 3.04Å
262V23.8Very low23.7Very low126 Ų126143.2 Ų143.276%0.76479%0.785SS**  trans-77.293.9167.6-178.70000106.6V260 E264V260-V262 PolarHBondContact O-N 2.53Å; V262-E264 PolarHBondContact O-N 3.41Å
263M22.7Very low23.3Very low152 Ų152142.7 Ų142.775%0.74979%0.787SS**  trans-66.1100.6172.9-160.117474.600107.9A261 R265A261-M263 VanDerWaalsContact C-N 3.33Å; A261-M263 PolarHBondContact O-N 3.04Å; M263-R265 PolarHBondContact O-N 3.43Å
264E24.2Very low23.3Very low145 Ų145140.5 Ų140.568%0.67878%0.78SS**  trans-55.6105.1170.9-78.5-175.7153.200108.9V262 F266V262-E264 PolarHBondContact O-N 3.41Å; E264-F266 HydrophobicContact CB-CD2 4.49Å; E264-F266 HydrophobicContact CB-CE2 3.95Å; E264-F266 HydrophobicContact CB-CZ 4.3Å; E264-F266 WeakPolarHBondContact O-CD2 3.29Å; E264-F266 PolarHBondContact O-N 3.08Å; E264-F266 VanDerWaalsContact O-N 3.13Å; E264-F266 WeakPolarHBondContact OE2-CZ 3.46Å
265R22.7Very low23.2Very low218 Ų218145.6 Ų145.682%0.82379%0.791SS**  trans-76.395.1171.5-70.5-171.1-172.3178.71.8108.5M263 S267M263-R265 PolarHBondContact O-N 3.43Å; R265-S267 PolarHBondContact O-N 3.45Å
266F22.9Very low23.2Very low172 Ų172144.4 Ų144.475%0.75479%0.785SS**  trans-65.3121.4165.4-66.2-82.8000109.5E264 E268E264-F266 HydrophobicContact CB-CD2 4.49Å; E264-F266 HydrophobicContact CB-CE2 3.95Å; E264-F266 HydrophobicContact CB-CZ 4.3Å; E264-F266 WeakPolarHBondContact O-CD2 3.29Å; E264-F266 PolarHBondContact O-N 3.08Å; E264-F266 VanDerWaalsContact O-N 3.13Å; E264-F266 WeakPolarHBondContact OE2-CZ 3.46Å; F266-E268 PolarHBondContact O-N 3.28Å
267S22.9Very low23.2Very low113 Ų113144.8 Ų144.879%0.7979%0.786SS**  trans-87.691.7167.6-59.20000108.1R265 I269R265-S267 PolarHBondContact O-N 3.45Å; S267-I269 PolarHBondContact O-N 2.68Å
268E20Very low23.3Very low144 Ų144144.8 Ų144.867%0.67379%0.785SS**  trans-70.2111.1174.5-166.1-171.2158.800109F266 R270F266-E268 PolarHBondContact O-N 3.28Å; E268-R270 IonicContact OE1-CZ 3.5Å; E268-R270 IonicContact OE1-NE 2.95Å; E268-R270 PolarHBondContact OE1-NE 3.01Å; E268-R270 IonicContact OE1-NH2 3.12Å; E268-R270 PolarHBondContact OE1-NH2 3.13Å; E268-R270 VanDerWaalsContact OE1-NH2 3.12Å
269I23.1Very low23.5Very low137 Ų137149.4 Ų149.470%0.70379%0.794SS**  trans-106.9108.7171.6-59.6177.4000108.1S267 L271S267-I269 PolarHBondContact O-N 2.68Å; I269-L271 HydrophobicContact CG2-CD1 4.37Å; I269-L271 HydrophobicContact CG2-CG 4.14Å
270R19.9Very low23.6Very low202 Ų202149.3 Ų149.376%0.76279%0.793SS**  trans-83.2118.3171.6-64.6178.5179.1179.41.2109E268E268-R270 IonicContact OE1-CZ 3.5Å; E268-R270 IonicContact OE1-NE 2.95Å; E268-R270 PolarHBondContact OE1-NE 3.01Å; E268-R270 IonicContact OE1-NH2 3.12Å; E268-R270 PolarHBondContact OE1-NH2 3.13Å; E268-R270 VanDerWaalsContact OE1-NH2 3.12Å
271L24.6Very low23.8Very low165 Ų165152.4 Ų152.486%0.86480%0.799SS**  trans-115.4122.5171.4-79.9168.5000111.6I269I269-L271 HydrophobicContact CG2-CD1 4.37Å; I269-L271 HydrophobicContact CG2-CG 4.14Å
272L23.2Very low23.9Very low170 Ų170152.9 Ų152.989%0.8980%0.797SS**  trans-66.7141.4-177.5-70.3145.4000111.6
273S21.1Very low24Very low116 Ų116154.5 Ų154.581%0.81180%0.8SS**  trans-83.5118.4175.965.60000110.8
274E25.8Very low24Very low169 Ų169156.3 Ų156.379%0.7980%0.804SS**  trans-137.4110.5167.7-75.1-167.7158.100112.5S276E274-S276 PolarHBondContact O-N 2.8Å; E274-S276 VanDerWaalsContact O-N 3.12Å
275N23.3Very low24.2Very low172 Ų172155.2 Ų155.292%0.9281%0.807SS**  trans-42.7106147.3-70.1-37.4000110.2
276S25Very low24.4Very low91 Ų91151.7 Ų151.764%0.63681%0.805SS**  trans175.5153.7148.147.10000110.8E274E274-S276 PolarHBondContact O-N 2.8Å; E274-S276 VanDerWaalsContact O-N 3.12Å
277L27.7Very low24.6Very low169 Ų169146.7 Ų146.789%0.88580%0.801SS**  trans96.375170.2-47.9177.3000116.3
278N25.2Very low24.7Very low168 Ų168149.3 Ų149.390%0.89881%0.806SS**  trans-72.3122.1157.3-81.1-40.8000110.5
279L28.6Very low24.8Very low165 Ų165149.9 Ų149.986%0.86481%0.809SS**  trans-147.7112.2158.7-125.1124.3000110.6
280S24.3Very low24.8Very low118 Ų118149.3 Ų149.383%0.82582%0.816SS**  trans-85125-175.349.10000112.2
281Q26.4Very low24.9Very low189 Ų189148 Ų14888%0.88382%0.818SS**  trans-115.9120.5164.1-73.5-175.4-100109.5
282S24.7Very low24.9Very low110 Ų110147.5 Ų147.577%0.76982%0.816SS**PPolyproline II helixtrans-86.7121.9176.972.60000111
283L24.7Very low24.9Very low159 Ų159146.3 Ų146.383%0.83281%0.81SS**PPolyproline II helixtrans-80.2118.8164.2-91.9136000109.2
284K24.5Very low25Very low191 Ų191146.4 Ų146.483%0.8381%0.809SS**PPolyproline II helixtrans-91.3125.3165.9-82.6-177175.8178.50109.1
285T27.2Very low24.8Very low121 Ų121141.7 Ų141.774%0.74280%0.799SS**PPolyproline II helixtrans-89.2120.417247.90000110
286N26.2Very low24.8Very low145 Ų145139.2 Ų139.278%0.77579%0.791SS**  trans-124.699.7169.2-92.8-4.6000108.5
287G27.3Very low24.9Very low66 Ų66143.2 Ų143.268%0.6880%0.803SS**THydrogen-bonded Turntrans62.9179.6174.900000114.8H289G287-H289 PolarHBondContact O-N 3Å
288D25.4Very low24.7Very low168 Ų168141.3 Ų141.390%0.89879%0.793SS**THydrogen-bonded Turntrans-64.819.5-170.5-65-37.7000115.8
289H22.8Very low24.8Very low157 Ų157139.2 Ų139.273%0.72779%0.788SS**  trans-132.1104.8180-62-36.3000110.6G287 Q291G287-H289 PolarHBondContact O-N 3Å; H289-Q291 PolarHBondContact O-N 3.15Å; H289-Q291 VanDerWaalsContact O-N 3.16Å
290C23.4Very low24.6Very low125 Ų125139.7 Ų139.785%0.84579%0.786SS**  trans-78.292.2167.3-69.90000109.6
291Q21.7Very low24.5Very low174 Ų174137.1 Ų137.181%0.81378%0.778SS**  trans-86.6115.8165.2-91.1-176.5-1.800110.3H289 N293H289-Q291 PolarHBondContact O-N 3.15Å; H289-Q291 VanDerWaalsContact O-N 3.16Å; Q291-N293 PolarHBondContact O-N 3.23Å; Q291-N293 VanDerWaalsContact O-N 3.16Å
292L23.5Very low24.5Very low155 Ų155139.2 Ų139.281%0.81278%0.78SS**  trans-68.3103.4162.9-102.1150.9000108.3C294L292-C294 VanDerWaalsContact C-N 3.31Å; L292-C294 PolarHBondContact O-N 3.31Å
293N23.7Very low24.5Very low145 Ų145139.6 Ų139.678%0.77578%0.782SS**  trans-74.686174.2-127.96.5000108.8Q291 A295Q291-N293 PolarHBondContact O-N 3.23Å; Q291-N293 VanDerWaalsContact O-N 3.16Å; N293-A295 PolarHBondContact O-N 3.22Å
294C23Very low24.6Very low118 Ų118135.9 Ų135.980%0.79777%0.774SS**  trans-76.771.4169.1-71.80000109.4L292L292-C294 VanDerWaalsContact C-N 3.31Å; L292-C294 PolarHBondContact O-N 3.31Å
295A22.5Very low24.6Very low69 Ų69137.6 Ų137.657%0.5778%0.776SS**  trans-104.1109.8171.700000109.8N293N293-A295 PolarHBondContact O-N 3.22Å
296T23.8Very low24.6Very low121 Ų121138.1 Ų138.174%0.74277%0.773SS**  trans58.986.4153.134.70000117.7
297I26.4Very low24.6Very low174 Ų174136.2 Ų136.289%0.89277%0.768SS**  trans-90.898.7148.7-60.6176.2000106.1
298L24.3Very low24.7Very low129 Ų129139 Ų13968%0.67577%0.768SS**  trans-60.3142.6168.8-89128.4000109.8E300L298-E300 VanDerWaalsContact C-N 3.27Å; L298-E300 PolarHBondContact O-N 3.07Å
299P26.3Very low24.9Very low124 Ų124136 Ų13681%0.80575%0.751SS**SBendtrans-83.668.2-174.136.3-34000110
300E23.9Very low25.2Very low176 Ų176135.7 Ų135.782%0.82276%0.755SS**  trans-137.8113.6175.3-74.6-171.6164.100111.1L298L298-E300 VanDerWaalsContact C-N 3.27Å; L298-E300 PolarHBondContact O-N 3.07Å
301G23.9Very low25.6Very low63 Ų63138 Ų13865%0.64975%0.751SS**  trans92.896.9164.900000113.9
302Y25.5Very low26.1Very low234 Ų234136.1 Ų136.192%0.91875%0.745SS**  -172.678.7126.6-90.7-67.8000107.2A304Y302-A304 VanDerWaalsContact C-N 3.28Å; Y302-A304 PolarHBondContact O-N 3.1Å
303S23.8Very low26.5Very low117 Ų117135.3 Ų135.382%0.81874%0.74SS**  trans-80.681161.9-168.30000107.5
304A27.4Very low26.9Very low81 Ų81136.9 Ų136.967%0.66974%0.742SS**  trans-9487.5164.600000107.2Y302 L306Y302-A304 VanDerWaalsContact C-N 3.28Å; Y302-A304 PolarHBondContact O-N 3.1Å; A304-L306 PolarHBondContact O-N 2.64Å
305R24.7Very low27.4Very low228 Ų228140.4 Ų140.486%0.8675%0.747SS**  trans-53.6110.6164.2-82177.3166.5170-4.5107.5P307R305-P307 WeakPolarHBondContact O-CD 3.28Å
306L27.6Very low27.8Very low131 Ų131143.4 Ų143.469%0.68676%0.759SS**  trans-74.2107.2163.1-76.7164.6000107A304 N308 L309A304-L306 PolarHBondContact O-N 2.64Å; L306-N308 PolarHBondContact O-N 3.46Å; L306-L309 HydrophobicContact CB-CD1 3.95Å; L306-L309 HydrophobicContact CD1-CD1 3.56Å; L306-L309 HydrophobicContact CG-CD1 4.39Å
307P24.9Very low28.1Very low105 Ų105146.4 Ų146.468%0.68276%0.764SS**THydrogen-bonded Turntrans-74.5128.7171.729.7-22.4000107.2R305R305-P307 WeakPolarHBondContact O-CD 3.28Å
308N30.1Very low28.3Very low125 Ų125143.2 Ų143.267%0.66876%0.758SS**THydrogen-bonded Turntrans98.117.3173.9-47-38.5000118.8L306 D310L306-N308 PolarHBondContact O-N 3.46Å; N308-D310 PolarHBondContact O-N 3.41Å
309L28.9Very low28.6Very low105 Ų105146.1 Ų146.155%0.5577%0.768SS.*G310 helixtrans-72.3-16.2164.1-90.5162.7000113.3L306 K311L306-L309 HydrophobicContact CB-CD1 3.95Å; L306-L309 HydrophobicContact CD1-CD1 3.56Å; L306-L309 HydrophobicContact CG-CD1 4.39Å; L309-K311 PolarHBondContact O-N 3.37Å
310D29.5Very low28.8Very low150 Ų150147 Ų14780%0.80277%0.771SS**G310 helixtrans-76.51175.9-63.5-33.3000114N308N308-D310 PolarHBondContact O-N 3.41Å
311K32.5Very low29.2Very low174 Ų174144.5 Ų144.576%0.75776%0.763SS**G310 helixtrans-110.25.6-176.9-130.3-179.2-175.9-171.80115.3L309L309-K311 PolarHBondContact O-N 3.37Å
312I32.1Very low29.5Very low135 Ų135149.4 Ų149.469%0.69277%0.774SS**SBendtrans-110.53.9178.6-58.4176.6000111.4
313I32.2Very low29.9Very low138 Ų138142.1 Ų142.171%0.70876%0.758SS**SBendtrans-101.65-177.5-62.3175.8000112.4
314E32.6Very low30.1Very low177 Ų177147.6 Ų147.683%0.82776%0.761SS**SBendtrans-115.214.9-174-113.4-179.2178.800116.2
315E32.1Very low30.3Very low192 Ų192151.6 Ų151.690%0.89777%0.769SS**SBendtrans-124.324.2178.1-75.1-168.9166.100114.7
316T31.6Very low30.5Very low132 Ų132144.7 Ų144.781%0.8176%0.761SS**SBendtrans-123.315.6173.5-10.90000114.6
317E30.1Very low30.8Very low184 Ų184143.9 Ų143.986%0.8677%0.766SS**SBendtrans-126.255.5-179.5-62.8-166.7166.700112.8
318S30.5Very low31.1Very low108 Ų108150.7 Ų150.776%0.75578%0.78SS**  trans-169.780.2161.558.60000112.4
319E31.5Very low31.1Very low189 Ų189148.1 Ų148.188%0.88378%0.783SS**  trans-163.365.5147.1-116.5176.7-174.700109.7D321E319-D321 PolarHBondContact O-N 2.97Å
320T29.9Very low31.4Very low142 Ų142151.4 Ų151.487%0.87180%0.8SS**  trans-78.295.1144.946.40000107
321D31.9Very low31.7Very low125 Ų125152 Ų15267%0.66880%0.797SS**  trans-125.689.2162-148.2-14.2000110.3E319 S323E319-D321 PolarHBondContact O-N 2.97Å; D321-S323 VanDerWaalsContact C-N 3.3Å; D321-S323 PolarHBondContact O-N 2.73Å; D321-S323 VanDerWaalsContact O-N 3.16Å; D321-S323 PolarHBondContact OD1-OG 3.12Å
322N29.5Very low32Very low165 Ų165151 Ų15188%0.88280%0.796SS**  trans-75.381.4163.9-78.8-41000108.3
323S33.7Very low32.3Very low81 Ų81151.5 Ų151.557%0.56680%0.799SS**  trans-170.7137.7154.954.80000113.2D321D321-S323 VanDerWaalsContact C-N 3.3Å; D321-S323 PolarHBondContact O-N 2.73Å; D321-S323 VanDerWaalsContact O-N 3.16Å; D321-S323 PolarHBondContact OD1-OG 3.12Å
324R29.3Very low32.4Very low233 Ų233148.4 Ų148.488%0.87980%0.802SS**  trans45123.6144.2-71.9174.2162.9172.4-4.5116.3
325I31.1Very low32.5Very low164 Ų164145.3 Ų145.384%0.84180%0.8SS**  -161.712581.2-84147.8000108.7
326A29.4Very low32.9Very low84 Ų84144.4 Ų144.469%0.69480%0.797SS**  trans-65.4148.9164.400000111.2
327S33Very low33.2Very low114 Ų114149.3 Ų149.380%0.79780%0.801SS**  trans170.189.4134.7-760000112.5
328Y32.4Very low33.8Very low247 Ų247149.5 Ų149.597%0.96980%0.799SS**  trans-134.8111.5130-81.6-89000102.3
329G29.9Very low34.3Very low72 Ų72152.3 Ų152.374%0.74280%0.8SS**  cis108.644.33400000110.4
330I35.1Very low34.8Very low174 Ų174152.1 Ų152.189%0.89280%0.797SS**  trans-135.6121.7157.1-58.7-177.1000108.1
331E36.6Very low35.3Very low161 Ų161157.1 Ų157.175%0.75280%0.8SS**  trans-67.4136.9-172.6-54.1169.2147.900111.6
332H37.6Very low35.8Very low155 Ų155155.1 Ų155.172%0.71880%0.8SS**  163.3101.8103.2-109.8-77000111.5
333N38.7Very low36.4Very low144 Ų144159.1 Ų159.177%0.7780%0.803SS**  trans27.6104.8139.8-66.7-16.5000119
334G34.2Very low37.1Very low74 Ų74164.6 Ų164.676%0.76384%0.841SS**SBendtrans-69.2144.5137.800000111.1
335S34.9Very low37.5Very low112 Ų112161.2 Ų161.278%0.78384%0.839SS**  trans70.9106166-158.90000117.2
336M40Very low37.9Very low172 Ų172161 Ų16185%0.84784%0.839SS**  172.1125.3116-86-101.5-93.300110.9
337R37.8Very low38.4Very low235 Ų235165.3 Ų165.389%0.88785%0.847SS**  trans-13.9128.6157.5-74.9169.1159.2165.4-6.3116.6
338K43.6Very low38.7Very low188 Ų188168.3 Ų168.382%0.81785%0.85SS**  161104.9124.1-88.4172.1-178-177.70107.3
339E39.6Very low39.1Very low167 Ų167163.4 Ų163.478%0.7884%0.843SS**  69.9128.792.9-154.5-171.6171.900113.5
340K42.9Very low39.7Very low186 Ų186169.5 Ų169.581%0.80985%0.849SS**  trans94.394.2169.4-59.2-175.1177.11750118.1
341R39.4Very low40Very low247 Ų247169.1 Ų169.193%0.93285%0.846SS**  -161.6102120.1-103172.4-175.9-165.11.3106.7
342A42.3Very low40.3Very low82 Ų82169.8 Ų169.868%0.67885%0.853SS**  74.5105.974.800000113.2
343R42.3Very low40.5Very low249 Ų249171 Ų17194%0.9487%0.865SS**  trans6394.4136.1-58.8-179.6176.3-169.9-2.2118
344S50.1Low40.7Very low196 Ų196173.5 Ų173.5100%1.37187%0.873SS**  -176.30100-176.40000109.4

Retrieved 344 of 344 residues in 145.6 ms (Link to these results)