A0A077ZKX8_TRITR Loading...

Protein Y45F10D.14

AlphaFold DB , UniProt , Accession A0A077ZKX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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
1M37.9Very low52.6Low246 Ų246126.2 Ų126.2100%1.21269%0.691SS**  099.20-84164.5171.200107.5
2G36.6Very low53.9Low78 Ų78124.7 Ų124.780%0.80468%0.68SS**  trans-82.1115.9178.200000109.2I4G2-I4 PolarHBondContact O-N 3.42Å
3K48.3Very low55.3Low194 Ų194128.4 Ų128.484%0.84370%0.699SS**  trans-75.2120.3169.7-71.1-176177-176.20107.5C5K3-C5 PolarHBondContact O-N 3.32Å
4I38.5Very low56.8Low151 Ų151124.2 Ų124.277%0.77470%0.701SS**  trans-78.1103.7169.1-61.4164.9000105.3G2G2-I4 PolarHBondContact O-N 3.42Å
5C48.5Very low57.8Low104 Ų104126.8 Ų126.870%0.70370%0.701SS**  trans-88.4102.8171.8-59.80000107.5K3 E7K3-C5 PolarHBondContact O-N 3.32Å; C5-E7 VanDerWaalsContact C-N 3.3Å; C5-E7 PolarHBondContact O-N 3.27Å
6N51.6Low58.6Low149 Ų149130.8 Ų130.880%0.79770%0.702SS**  trans-81.683.3165.5-74.2-19000107.3A8N6-A8 PolarHBondContact O-N 3.04Å
7E57.6Low59Low111 Ų111126.7 Ų126.752%0.51968%0.68SS.*  trans-67.4111.5168.8-88.1-178.6136.600108.3C5 I9 N18C5-E7 VanDerWaalsContact C-N 3.3Å; C5-E7 PolarHBondContact O-N 3.27Å; E7-I9 PolarHBondContact O-N 3.47Å; E7-N18 PolarHBondContact OE1-ND2 2.98Å; E7-N18 VanDerWaalsContact OE1-ND2 3.09Å
8A62.1Low59.8Low54 Ų54122.3 Ų122.345%0.44666%0.656SS.*  trans-77.1116.9170.500000108.4N6 L19N6-A8 PolarHBondContact O-N 3.04Å; A8-L19 HydrophobicContact CB-CD1 3.73Å; A8-L19 WeakPolarHBondContact O-CB 3.37Å; A8-L19 WeakPolarHBondContact O-CD1 3.3Å; A8-L19 WeakPolarHBondContact O-CG 3.34Å; A8-L19 PolarHBondContact O-N 3.03Å
9I62.5Low60.2Low99 Ų99117.6 Ų117.651%0.50863%0.631SS.*EExtended strand (participates in β ladder)trans-109.5129178.7-58.9172.1000107.8E7 R16E7-I9 PolarHBondContact O-N 3.47Å; I9-R16 HydrophobicContact CG2-CB 4.03Å; I9-R16 HydrophobicContact CG2-CG 4.33Å
10L65.2Low60.7Low83 Ų83116.7 Ų116.744%0.43563%0.625SS.*EExtended strand (participates in β ladder)trans-101.3123174.2-114.9159.6000108.6I17 L19L10-I17 HydrophobicContact CB-CB 4.46Å; L10-I17 PolarHBondContact N-O 2.92Å; L10-I17 PolarHBondContact O-N 2.86Å; L10-L19 HydrophobicContact CB-CD1 4.34Å; L10-L19 HydrophobicContact CB-CD2 4.14Å; L10-L19 HydrophobicContact CB-CG 4.27Å; L10-L19 HydrophobicContact CD1-CD1 3.89Å; L10-L19 HydrophobicContact CD1-CD2 3.51Å; L10-L19 HydrophobicContact CD1-CG 4.18Å; L10-L19 HydrophobicContact CG-CD1 4.26Å; L10-L19 HydrophobicContact CG-CD2 4.33Å
11E69.8Low61.2Low119 Ų119116.7 Ų116.756%0.55662%0.622SS**EExtended strand (participates in β ladder)trans-109.6112.8179-157166.9-139.900109.5K15 R16E11-K15 WeakPolarHBondContact CA-O 3.19Å; E11-R16 HydrophobicContact CG-CG 3.99Å; E11-R16 VanDerWaalsContact OE1-CG 3.31Å; E11-R16 WeakPolarHBondContact OE1-CG 3.36Å; E11-R16 IonicContact OE1-CZ 3.84Å; E11-R16 IonicContact OE1-NE 2.96Å; E11-R16 PolarHBondContact OE1-NE 2.75Å; E11-R16 IonicContact OE1-NH2 3.79Å
12L68.5Low62.7Low108 Ų108110 Ų11057%0.56559%0.586SS**EExtended strand (participates in β ladder)trans-127.3128.9179.5-79.5165.2000108.8G14 K15 I17L12-G14 PolarHBondContact O-N 3.24Å; L12-G14 VanDerWaalsContact O-N 3.12Å; L12-K15 PolarHBondContact N-O 3.34Å; L12-K15 PolarHBondContact O-N 2.8Å; L12-I17 HydrophobicContact CD1-CD1 4.47Å
13D72.3Confident64.2Low173 Ų173111.9 Ų111.993%0.92557%0.572SS**THydrogen-bonded Turntrans48.738-179.7-69.7-24.7000114.8K15D13-K15 PolarHBondContact O-N 3.36Å
14G76.4Confident65.1Low70 Ų70104.6 Ų104.672%0.72255%0.548SS*.THydrogen-bonded Turntrans72.99.9-179.100000114.7L12L12-G14 PolarHBondContact O-N 3.24Å; L12-G14 VanDerWaalsContact O-N 3.12Å
15K71.2Confident66.3Low163 Ų163103 Ų10371%0.70954%0.538SS*.EExtended strand (participates in β ladder)trans-104.1130.7170.3-68.2-179.5-179175.30110E11 L12 D13E11-K15 WeakPolarHBondContact CA-O 3.19Å; L12-K15 PolarHBondContact N-O 3.34Å; L12-K15 PolarHBondContact O-N 2.8Å; D13-K15 PolarHBondContact O-N 3.36Å
16R70.7Confident66.6Low190 Ų190104 Ų10472%0.71753%0.532SS*.EExtended strand (participates in β ladder)trans-89.6122.3174-66.5-180-179.4-179.6-1.4109.4I9 E11I9-R16 HydrophobicContact CG2-CB 4.03Å; I9-R16 HydrophobicContact CG2-CG 4.33Å; E11-R16 HydrophobicContact CG-CG 3.99Å; E11-R16 VanDerWaalsContact OE1-CG 3.31Å; E11-R16 WeakPolarHBondContact OE1-CG 3.36Å; E11-R16 IonicContact OE1-CZ 3.84Å; E11-R16 IonicContact OE1-NE 2.96Å; E11-R16 PolarHBondContact OE1-NE 2.75Å; E11-R16 IonicContact OE1-NH2 3.79Å
17I65.9Low66.8Low62 Ų62104.1 Ų104.132%0.31853%0.527SS..EExtended strand (participates in β ladder)trans-108119.4177.1-56.2174.3000107L10 L12 L19 F22L10-I17 HydrophobicContact CB-CB 4.46Å; L10-I17 PolarHBondContact N-O 2.92Å; L10-I17 PolarHBondContact O-N 2.86Å; L12-I17 HydrophobicContact CD1-CD1 4.47Å; I17-L19 PolarHBondContact O-N 3.25Å; I17-F22 HydrophobicContact CG2-CB 4.38Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å
18N73.9Confident66.8Low47 Ų47106.5 Ų106.525%0.25154%0.536SS..EExtended strand (participates in β ladder)trans-80.2115.3171.7-170.9-29.3000108E7 D20 Q21 F22E7-N18 PolarHBondContact OE1-ND2 2.98Å; E7-N18 VanDerWaalsContact OE1-ND2 3.09Å; N18-D20 VanDerWaalsContact C-N 3.31Å; N18-D20 PolarHBondContact O-N 2.96Å; N18-D20 PolarHBondContact OD1-N 2.94Å; N18-D20 VanDerWaalsContact OD1-N 3.11Å; N18-Q21 HydrophobicContact CB-CB 4.17Å; N18-Q21 PolarHBondContact O-N 2.96Å; N18-F22 PolarHBondContact O-N 3.46Å
19L67.4Low66.2Low34 Ų34112 Ų11218%0.17855%0.552CS.*Hα-helixtrans-68.3-32.5-174.6-68.4167.1000112.2A8 L10 I17 Q21 F22 F23A8-L19 HydrophobicContact CB-CD1 3.73Å; A8-L19 WeakPolarHBondContact O-CB 3.37Å; A8-L19 WeakPolarHBondContact O-CD1 3.3Å; A8-L19 WeakPolarHBondContact O-CG 3.34Å; A8-L19 PolarHBondContact O-N 3.03Å; L10-L19 HydrophobicContact CB-CD1 4.34Å; L10-L19 HydrophobicContact CB-CD2 4.14Å; L10-L19 HydrophobicContact CB-CG 4.27Å; L10-L19 HydrophobicContact CD1-CD1 3.89Å; L10-L19 HydrophobicContact CD1-CD2 3.51Å; L10-L19 HydrophobicContact CD1-CG 4.18Å; L10-L19 HydrophobicContact CG-CD1 4.26Å; L10-L19 HydrophobicContact CG-CD2 4.33Å; I17-L19 PolarHBondContact O-N 3.25Å; L19-Q21 PolarHBondContact O-N 2.7Å; L19-F22 PolarHBondContact O-N 3.27Å; L19-F23 HydrophobicContact CB-CD2 4.32Å; L19-F23 HydrophobicContact CB-CE2 4.07Å; L19-F23 HydrophobicContact CD2-CE2 4.46Å; L19-F23 WeakPolarHBondContact O-CD2 3.38Å; L19-F23 PolarHBondContact O-N 3.06Å
20D70.1Confident65.4Low98 Ų98111.9 Ų111.952%0.52456%0.557SS.*Hα-helixtrans-65.3-33.5177.4-67-20.3000111.3N18 A24N18-D20 VanDerWaalsContact C-N 3.31Å; N18-D20 PolarHBondContact O-N 2.96Å; N18-D20 PolarHBondContact OD1-N 2.94Å; N18-D20 VanDerWaalsContact OD1-N 3.11Å; D20-A24 VanDerWaalsContact O-CB 3.28Å; D20-A24 WeakPolarHBondContact O-CB 3.48Å; D20-A24 PolarHBondContact O-N 3.42Å
21Q70Confident64.6Low117 Ų117114.9 Ų114.955%0.54757%0.573SS.*Hα-helixtrans-76.2-36.2175.2-167.1170.7-6.600111.9N18 L19 A24 E25N18-Q21 HydrophobicContact CB-CB 4.17Å; N18-Q21 PolarHBondContact O-N 2.96Å; L19-Q21 PolarHBondContact O-N 2.7Å; Q21-A24 PolarHBondContact O-N 3.2Å; Q21-E25 PolarHBondContact O-N 3.5Å; Q21-E25 VanDerWaalsContact O-N 3.07Å
22F69.1Low63.4Low107 Ų107118.5 Ų118.547%0.46959%0.587SS.*Hα-helixtrans-64.6-47.8177.8-173.9-94.2000112.2I17 N18 L19 A24 E25 E26I17-F22 HydrophobicContact CG2-CB 4.38Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å; N18-F22 PolarHBondContact O-N 3.46Å; L19-F22 PolarHBondContact O-N 3.27Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.49Å; F22-E25 PolarHBondContact O-N 3.14Å; F22-E26 PolarHBondContact O-N 3.18Å; F22-E26 VanDerWaalsContact O-N 3.1Å
23F68.1Low61.9Low117 Ų117117 Ų11751%0.51360%0.598SS.*Hα-helixtrans-66.6-34.4177-68.8-62.7000112.3L19 E25 E26 E27L19-F23 HydrophobicContact CB-CD2 4.32Å; L19-F23 HydrophobicContact CB-CE2 4.07Å; L19-F23 HydrophobicContact CD2-CE2 4.46Å; L19-F23 WeakPolarHBondContact O-CD2 3.38Å; L19-F23 PolarHBondContact O-N 3.06Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.07Å; F23-E26 PolarHBondContact O-N 2.97Å; F23-E27 PolarHBondContact O-N 3.17Å; F23-E27 VanDerWaalsContact O-N 3.07Å
24A68.5Low60.5Low40 Ų40112 Ų11233%0.33158%0.58SS.*Hα-helixtrans-71.1-21.8175.800000113.9D20 Q21 F22 K28D20-A24 VanDerWaalsContact O-CB 3.28Å; D20-A24 WeakPolarHBondContact O-CB 3.48Å; D20-A24 PolarHBondContact O-N 3.42Å; Q21-A24 PolarHBondContact O-N 3.2Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.49Å; A24-K28 WeakPolarHBondContact O-CG 3.46Å
25E62.2Low58.7Low119 Ų119115.8 Ų115.856%0.55658%0.584SS**Hα-helixtrans-82.1-36.2171.7-99.2156.6-178.100111.9Q21 F22 F23 K28 E29Q21-E25 PolarHBondContact O-N 3.5Å; Q21-E25 VanDerWaalsContact O-N 3.07Å; F22-E25 PolarHBondContact O-N 3.14Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.07Å; E25-K28 PolarHBondContact O-N 3.47Å; E25-E29 PolarHBondContact O-N 2.83Å
26E56.6Low57.5Low124 Ų124113.6 Ų113.658%0.57958%0.584SS**Hα-helixtrans-64.2-38.7171.1-105.2-152.2157.400113.1F22 F23 K28 T30F22-E26 PolarHBondContact O-N 3.18Å; F22-E26 VanDerWaalsContact O-N 3.1Å; F23-E26 PolarHBondContact O-N 2.97Å; E26-K28 PolarHBondContact O-N 3.35Å; E26-T30 PolarHBondContact O-OG1 3.5Å
27E55.5Low56Low151 Ų151110.9 Ų110.971%0.70658%0.579SS**Hα-helixtrans-68.6-17175.7-77.8-171.8165.100113.4F23 T30F23-E27 PolarHBondContact O-N 3.17Å; F23-E27 VanDerWaalsContact O-N 3.07Å; E27-T30 PolarHBondContact O-OG1 2.93Å
28K56.6Low54.8Low162 Ų162116.3 Ų116.370%0.70460%0.603SS**Hα-helixtrans-98.5-18.6179.6-76.8177.8-176.5167.90114.2A24 E25 E26A24-K28 WeakPolarHBondContact O-CG 3.46Å; E25-K28 PolarHBondContact O-N 3.47Å; E26-K28 PolarHBondContact O-N 3.35Å
29E49.6Very low53.2Low168 Ų168121.3 Ų121.379%0.78563%0.625SS**Hα-helixtrans-86.5-13.6172.5-73.9-155.5153.400113.6E25 D31E25-E29 PolarHBondContact O-N 2.83Å; E29-D31 VanDerWaalsContact C-N 3.29Å; E29-D31 PolarHBondContact O-N 3.27Å
30T45.9Very low52Low98 Ų98123.6 Ų123.660%0.60164%0.644SS**THydrogen-bonded Turntrans-76.1-10.8176.737.60000114.5E26 E27E26-T30 PolarHBondContact O-OG1 3.5Å; E27-T30 PolarHBondContact O-OG1 2.93Å
31D47.7Very low50.9Low146 Ų146127.4 Ų127.478%0.78166%0.662SS**THydrogen-bonded Turntrans-95.45-177.4-107.5-13.9000114.6E29E29-D31 VanDerWaalsContact C-N 3.29Å; E29-D31 PolarHBondContact O-N 3.27Å
32K45.7Very low49.8Very low195 Ų195127.2 Ų127.285%0.84867%0.669SS**SBendtrans-139.670.1178.6-66.7-172.3-177.8175.20112.9
33G36.9Very low48.8Very low77 Ų77130.9 Ų130.979%0.79469%0.688SS**  trans119.318.215400000117.9D35G33-D35 PolarHBondContact O-N 3.3Å
34A42.3Very low47.8Very low66 Ų66133.2 Ų133.255%0.54571%0.706SS.*  trans-79.8104161.900000108.4V36A34-V36 HydrophobicContact CB-CG2 3.89Å; A34-V36 PolarHBondContact O-N 2.86Å
35D39Very low46.9Very low151 Ų151139.7 Ų139.781%0.80773%0.729SS**  trans-60.179.8155.8-166.124.5000106.7G33 H37G33-D35 PolarHBondContact O-N 3.3Å; D35-H37 PolarHBondContact O-N 3.12Å
36V46Very low46.9Very low116 Ų116139.2 Ų139.270%0.70374%0.739SS**  trans-72.489.8170.6-179.20000104.2A34 E38A34-V36 HydrophobicContact CB-CG2 3.89Å; A34-V36 PolarHBondContact O-N 2.86Å; V36-E38 PolarHBondContact O-N 3.08Å
37H39.7Very low47.3Very low133 Ų133137.8 Ų137.862%0.61674%0.739SS**  trans-57.998.9165.9-145.3-42.8000105.9D35 E39D35-H37 PolarHBondContact O-N 3.12Å; H37-E39 HydrophobicContact CB-CG 4.41Å; H37-E39 PolarHBondContact O-N 3.08Å
38E39.2Very low48Very low177 Ų177136.4 Ų136.483%0.82774%0.736SS**  trans-58.282.2151.5-84.5-176.5147.100105.5V36 S40V36-E38 PolarHBondContact O-N 3.08Å; E38-S40 PolarHBondContact O-N 3.35Å
39E40.6Very low48.8Very low151 Ų151133.3 Ų133.371%0.70672%0.722SS**  trans-69.686.7158.2-78.3-173.8172.700105.7H37 I41H37-E39 HydrophobicContact CB-CG 4.41Å; H37-E39 PolarHBondContact O-N 3.08Å; E39-I41 PolarHBondContact O-N 3.18Å; E39-I41 VanDerWaalsContact O-N 3.15Å
40S43.1Very low49.8Very low83 Ų83133.7 Ų133.758%0.5872%0.717SS**  trans-36.2121.715052.10000107.8E38 T42E38-S40 PolarHBondContact O-N 3.35Å; S40-T42 PolarHBondContact O-N 2.79Å; S40-T42 PolarHBondContact O-OG1 2.95Å
41I47.4Very low51.3Low178 Ų178131.9 Ų131.991%0.91371%0.711SS**  trans-50.493.5171.7-58.5165.7000106.3E39E39-I41 PolarHBondContact O-N 3.18Å; E39-I41 VanDerWaalsContact O-N 3.15Å
42T46.2Very low52.5Low112 Ų112129 Ų12969%0.68770%0.695SS**  trans-87.7129.717923.20000105.4S40S40-T42 PolarHBondContact O-N 2.79Å; S40-T42 PolarHBondContact O-OG1 2.95Å
43E48.3Very low53.8Low184 Ų184120.2 Ų120.286%0.8666%0.658SS**  trans-27.1129.1-179.9-63.1170.6160.500113.6E45E43-E45 PolarHBondContact O-N 3.44Å
44N47.2Very low55.6Low166 Ų166122.1 Ų122.189%0.88865%0.65SS**  trans-29.896.9172.6-70.2-57.7000112.4S46N44-S46 PolarHBondContact O-N 2.8Å; N44-S46 VanDerWaalsContact O-N 3.16Å
45E49.9Very low57.2Low177 Ų177124.8 Ų124.883%0.82765%0.651SS**  trans-57124.5156.8-82-169.6155.800105.7E43 V47E43-E45 PolarHBondContact O-N 3.44Å; E45-V47 WeakPolarHBondContact O-CG2 3.32Å; E45-V47 PolarHBondContact O-N 2.96Å
46S61.7Low59Low109 Ų109120.6 Ų120.676%0.76263%0.628SS**  trans-64.185.1179.458.30000108.5N44 D48N44-S46 PolarHBondContact O-N 2.8Å; N44-S46 VanDerWaalsContact O-N 3.16Å; S46-D48 PolarHBondContact O-N 3.03Å; S46-D48 VanDerWaalsContact O-N 3.09Å
47V64.1Low60.2Low94 Ų94115.6 Ų115.657%0.5760%0.6SS**  trans-66.4111.9172.6-175.40000106E45 K49 L52E45-V47 WeakPolarHBondContact O-CG2 3.32Å; E45-V47 PolarHBondContact O-N 2.96Å; V47-K49 VanDerWaalsContact C-N 3.25Å; V47-K49 PolarHBondContact O-N 3.36Å; V47-L52 HydrophobicContact CG1-CD1 3.58Å; V47-L52 HydrophobicContact CG1-CG 4.16Å
48D70.7Confident61.9Low122 Ų122111.5 Ų111.565%0.65259%0.594SS**  trans-63.690.9173-88.2-34.6000108.3S46 R50 A51S46-D48 PolarHBondContact O-N 3.03Å; S46-D48 VanDerWaalsContact O-N 3.09Å; D48-R50 PolarHBondContact O-N 3.17Å; D48-A51 HydrophobicContact CB-CB 4.2Å; D48-A51 WeakPolarHBondContact O-CB 3.26Å; D48-A51 PolarHBondContact O-N 3.05Å
49K72.6Confident63.7Low96 Ų96108 Ų10842%0.41758%0.58SS.*Hα-helixtrans-51.6-27.8-179.7-62-179.2178.7177.80112V47 L52 I53 A80V47-K49 VanDerWaalsContact C-N 3.25Å; V47-K49 PolarHBondContact O-N 3.36Å; K49-L52 PolarHBondContact O-N 3.31Å; K49-I53 VanDerWaalsContact O-CG1 3.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.48Å; K49-I53 PolarHBondContact O-N 3.02Å; K49-I53 VanDerWaalsContact O-N 3.13Å; K49-A80 HydrophobicContact CB-CB 4.1Å; K49-A80 HydrophobicContact CD-CB 4.01Å; K49-A80 VanDerWaalsContact CD-O 3.28Å; K49-A80 WeakPolarHBondContact CD-O 3.45Å; K49-A80 PolarHBondContact NZ-O 2.92Å
50R72.6Confident65.4Low177 Ų177102.6 Ų102.667%0.66856%0.555SS**Hα-helixtrans-63.6-41.2173.6-70.2-174.1171.7-167.6-2.7113.4D48 L52 I53 D54 Y81D48-R50 PolarHBondContact O-N 3.17Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.49Å; R50-I53 PolarHBondContact O-N 3.25Å; R50-D54 PolarHBondContact O-N 2.94Å; R50-Y81 PolarHBondContact NE-OH 3.04Å; R50-Y81 VanDerWaalsContact NE-OH 3.15Å
51A75.4Confident66.7Low59 Ų59105.9 Ų105.949%0.48856%0.559SS.*Hα-helixtrans-64.9-39.3178.300000111.4D48 D54 E55D48-A51 HydrophobicContact CB-CB 4.2Å; D48-A51 WeakPolarHBondContact O-CB 3.26Å; D48-A51 PolarHBondContact O-N 3.05Å; A51-D54 PolarHBondContact O-N 3.39Å; A51-E55 WeakPolarHBondContact O-CB 3.47Å; A51-E55 PolarHBondContact O-N 3.39Å
52L74.4Confident68Low85 Ų85104.8 Ų104.845%0.44556%0.555SS.*Hα-helixtrans-65.6-40.5175.4-69.7177.5000112.4V47 K49 R50 D54 E55 I56V47-L52 HydrophobicContact CG1-CD1 3.58Å; V47-L52 HydrophobicContact CG1-CG 4.16Å; K49-L52 PolarHBondContact O-N 3.31Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.49Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-E55 PolarHBondContact O-N 3.18Å; L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.04Å
53I73.3Confident69.2Low12 Ų12107.7 Ų107.76%0.06256%0.558CS.*Hα-helixtrans-62.3-44.3176-68.7164.8000110.2K49 R50 E55 I56 G57 M73 A76 E77 A80K49-I53 VanDerWaalsContact O-CG1 3.31Å; K49-I53 WeakPolarHBondContact O-CG1 3.48Å; K49-I53 PolarHBondContact O-N 3.02Å; K49-I53 VanDerWaalsContact O-N 3.13Å; R50-I53 PolarHBondContact O-N 3.25Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.39Å; I53-I56 WeakPolarHBondContact O-CB 3.49Å; I53-I56 PolarHBondContact O-N 3.03Å; I53-G57 PolarHBondContact O-N 3.31Å; I53-M73 HydrophobicContact CG2-CE 3.41Å; I53-M73 VanDerWaalsContact CG2-CE 3.41Å; I53-M73 HydrophobicContact CG2-SD 3.95Å; I53-M73 VanDerWaalsContact O-CE 3.3Å; I53-M73 WeakPolarHBondContact O-CE 3.3Å; I53-A76 HydrophobicContact CG1-CB 4.09Å; I53-E77 HydrophobicContact CD1-CG 4.09Å; I53-E77 HydrophobicContact CG2-CG 4.46Å; I53-A80 HydrophobicContact CD1-CB 3.88Å
54D74.4Confident70.5Confident117 Ų117101 Ų10163%0.62653%0.53SS*.Hα-helixtrans-64.4-38.1177.5-74.8-19.1000112.5R50 A51 L52 G57 G58R50-D54 PolarHBondContact O-N 2.94Å; A51-D54 PolarHBondContact O-N 3.39Å; L52-D54 VanDerWaalsContact C-N 3.34Å; D54-G57 PolarHBondContact O-N 3.03Å; D54-G58 PolarHBondContact O-N 3.42Å
55E76.3Confident72Confident121 Ų12199.1 Ų99.157%0.56552%0.52SS*.Hα-helixtrans-64.3-42.8175.2-171.2176.1-170.500111.7A51 L52 I53 G57 G58 I59A51-E55 WeakPolarHBondContact O-CB 3.47Å; A51-E55 PolarHBondContact O-N 3.39Å; L52-E55 PolarHBondContact O-N 3.18Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.39Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 2.97Å; E55-G58 PolarHBondContact O-N 3.09Å; E55-I59 HydrophobicContact CG-CD1 4.07Å; E55-I59 VanDerWaalsContact O-CG1 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.49Å; E55-I59 PolarHBondContact O-N 3.5Å
56I76.5Confident73.2Confident64 Ų6496.8 Ų96.833%0.32851%0.513SS..Hα-helixtrans-58.1-45.9173.2-68.3164.2000110.3L52 I53 G58 I59 L60 V72 A76L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.04Å; I53-I56 WeakPolarHBondContact O-CB 3.49Å; I53-I56 PolarHBondContact O-N 3.03Å; I56-G58 VanDerWaalsContact C-N 3.34Å; I56-G58 PolarHBondContact O-N 3.01Å; I56-I59 PolarHBondContact O-N 2.72Å; I56-L60 HydrophobicContact CG2-CD1 3.79Å; I56-L60 VanDerWaalsContact O-CG 3.27Å; I56-L60 WeakPolarHBondContact O-CG 3.45Å; I56-L60 PolarHBondContact O-N 2.95Å; I56-V72 HydrophobicContact CG2-CG1 3.71Å; I56-A76 HydrophobicContact CD1-CB 4.27Å
57G70Confident73.9Confident11 Ų1199.2 Ų99.211%0.11351%0.512CS..Hα-helixtrans-60.5-42176.300000112.8I53 D54 E55 L60 K61 M73I53-G57 PolarHBondContact O-N 3.31Å; D54-G57 PolarHBondContact O-N 3.03Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 2.97Å; G57-L60 PolarHBondContact O-N 3.12Å; G57-K61 PolarHBondContact O-N 2.9Å; G57-M73 VanDerWaalsContact CA-SD 3.53Å
58G76.8Confident74.6Confident47 Ų4798.8 Ų98.849%0.48551%0.506SS..Hα-helixtrans-63.5-42.2177.400000113.4D54 E55 I56 L60D54-G58 PolarHBondContact O-N 3.42Å; E55-G58 PolarHBondContact O-N 3.09Å; I56-G58 VanDerWaalsContact C-N 3.34Å; I56-G58 PolarHBondContact O-N 3.01Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.99Å
59I76.8Confident74.8Confident104 Ų10494 Ų9453%0.53348%0.48SS..Hα-helixtrans-65.9-33.8179.1-67.6165.1000111.6E55 I56E55-I59 HydrophobicContact CG-CD1 4.07Å; E55-I59 VanDerWaalsContact O-CG1 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.49Å; E55-I59 PolarHBondContact O-N 3.5Å; I56-I59 PolarHBondContact O-N 2.72Å
60L75.5Confident75Confident37 Ų3798.7 Ų98.719%0.19450%0.495CS..Hα-helixtrans-86.4-21.1-174.6-63.4169.4000113.9I56 G57 G58 D62 K63 V64 I69 V72I56-L60 HydrophobicContact CG2-CD1 3.79Å; I56-L60 VanDerWaalsContact O-CG 3.27Å; I56-L60 WeakPolarHBondContact O-CG 3.45Å; I56-L60 PolarHBondContact O-N 2.95Å; G57-L60 PolarHBondContact O-N 3.12Å; G58-L60 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.99Å; L60-D62 PolarHBondContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 3.46Å; L60-V64 HydrophobicContact CB-CG2 4.32Å; L60-V64 HydrophobicContact CD2-CG2 3.76Å; L60-V64 PolarHBondContact O-N 2.87Å; L60-V64 VanDerWaalsContact O-N 3.16Å; L60-I69 HydrophobicContact CB-CD1 4.37Å; L60-I69 HydrophobicContact CB-CG1 3.9Å; L60-V72 HydrophobicContact CD1-CB 3.8Å; L60-V72 HydrophobicContact CD1-CG1 3.57Å; L60-V72 HydrophobicContact CD1-CG2 4.08Å
61K70.1Confident75.4Confident151 Ų15193.4 Ų93.466%0.65748%0.482SS*.THydrogen-bonded Turntrans-55.8-27.6-172.8-158.3171.9-178.8178.20115.6G57G57-K61 PolarHBondContact O-N 2.9Å
62D74.4Confident75.5Confident155 Ų15592.9 Ų92.983%0.82947%0.473SS*.THydrogen-bonded Turntrans-105.3-2.7-179.2-65.7-28000113.9L60L60-D62 PolarHBondContact O-N 3.07Å
63K73.3Confident75.5Confident174 Ų17490.6 Ų90.676%0.75746%0.461SS*.THydrogen-bonded Turntrans-117.9-19.3-171.6-67.8-168.9178.8-171.70114.3L60L60-K63 PolarHBondContact O-N 3.46Å
64V73.7Confident75.8Confident44 Ų4494.5 Ų94.527%0.26748%0.478SS..SBendtrans-140.6145.6-167.8-153.60000110L60 I68 I69L60-V64 HydrophobicContact CB-CG2 4.32Å; L60-V64 HydrophobicContact CD2-CG2 3.76Å; L60-V64 PolarHBondContact O-N 2.87Å; L60-V64 VanDerWaalsContact O-N 3.16Å; V64-I68 HydrophobicContact CG1-CB 3.41Å; V64-I68 VanDerWaalsContact CG1-CB 3.41Å; V64-I68 HydrophobicContact CG1-CD1 3.53Å; V64-I68 HydrophobicContact CG1-CG1 4.01Å; V64-I68 HydrophobicContact CG1-CG2 3.47Å; V64-I68 VanDerWaalsContact CG1-CG2 3.47Å; V64-I69 HydrophobicContact CB-CG1 4.25Å; V64-I69 WeakPolarHBondContact O-CD1 3.42Å
65D78.9Confident76Confident126 Ų12695.8 Ų95.867%0.67448%0.479SS*.  trans-57.4143.9174.7-65.7-44.9000111.4E67 I68 I69D65-E67 PolarHBondContact O-N 3.17Å; D65-I68 PolarHBondContact O-N 2.69Å; D65-I69 PolarHBondContact O-N 3.2Å; D65-I69 VanDerWaalsContact O-N 3.12Å
66D75.7Confident75.9Confident127 Ų12790.9 Ų90.968%0.67946%0.458SS*.Hα-helixtrans-50.2-31.5-177.7-75.8-27.5000113.5I69 R70D66-I69 PolarHBondContact O-N 2.87Å; D66-R70 WeakPolarHBondContact O-CB 3.37Å; D66-R70 PolarHBondContact O-N 2.88Å
67E76.7Confident75.7Confident160 Ų16092.8 Ų92.875%0.74847%0.466SS*.Hα-helixtrans-69.2-39.3178.2-170.9169.6-159.200112.8D65 R70 T71D65-E67 PolarHBondContact O-N 3.17Å; E67-R70 PolarHBondContact O-N 2.78Å; E67-T71 PolarHBondContact O-N 3.4Å; E67-T71 VanDerWaalsContact O-N 3.07Å; E67-T71 PolarHBondContact O-OG1 3.19Å
68I78.3Confident76Confident86 Ų8697.6 Ų97.644%0.44148%0.484SS..Hα-helixtrans-72.9-39176.1-58.7170.1000109.4V64 D65 R70 T71 V72V64-I68 HydrophobicContact CG1-CB 3.41Å; V64-I68 VanDerWaalsContact CG1-CB 3.41Å; V64-I68 HydrophobicContact CG1-CD1 3.53Å; V64-I68 HydrophobicContact CG1-CG1 4.01Å; V64-I68 HydrophobicContact CG1-CG2 3.47Å; V64-I68 VanDerWaalsContact CG1-CG2 3.47Å; D65-I68 PolarHBondContact O-N 2.69Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-R70 PolarHBondContact O-N 3.42Å; I68-T71 WeakPolarHBondContact O-CB 3.41Å; I68-T71 PolarHBondContact O-N 2.91Å; I68-T71 VanDerWaalsContact O-N 3.11Å; I68-V72 HydrophobicContact CG2-CG2 4.29Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.92Å
69I76Confident75.8Confident20 Ų20102.5 Ų102.510%0.10350%0.498CS..Hα-helixtrans-55.5-49.3173.3-60176.7000109.5L60 V64 D65 D66 T71 V72 M73L60-I69 HydrophobicContact CB-CD1 4.37Å; L60-I69 HydrophobicContact CB-CG1 3.9Å; V64-I69 HydrophobicContact CB-CG1 4.25Å; V64-I69 WeakPolarHBondContact O-CD1 3.42Å; D65-I69 PolarHBondContact O-N 3.2Å; D65-I69 VanDerWaalsContact O-N 3.12Å; D66-I69 PolarHBondContact O-N 2.87Å; I69-T71 VanDerWaalsContact C-N 3.27Å; I69-T71 PolarHBondContact O-N 3.45Å; I69-V72 PolarHBondContact O-N 3.16Å; I69-V72 VanDerWaalsContact O-N 3.12Å; I69-M73 HydrophobicContact CG2-CG 4.12Å; I69-M73 VanDerWaalsContact O-CG 3.23Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 2.87Å
70R76.5Confident75.3Confident196 Ų19698.1 Ų98.174%0.7448%0.478SS*.Hα-helixtrans-57.8-41.1177.8-167.2177-173.9-177.11.4112.2D66 E67 I68 M73 E74D66-R70 WeakPolarHBondContact O-CB 3.37Å; D66-R70 PolarHBondContact O-N 2.88Å; E67-R70 PolarHBondContact O-N 2.78Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-R70 PolarHBondContact O-N 3.42Å; R70-M73 PolarHBondContact O-N 3.31Å; R70-E74 WeakPolarHBondContact O-CB 3.34Å; R70-E74 PolarHBondContact O-N 2.82Å
71T80.2Confident74.8Confident65 Ų65102.7 Ų102.740%0.39949%0.493SS..Hα-helixtrans-66-40.1177.5-53.30000112E67 I68 I69 K75E67-T71 PolarHBondContact O-N 3.4Å; E67-T71 VanDerWaalsContact O-N 3.07Å; E67-T71 PolarHBondContact O-OG1 3.19Å; I68-T71 WeakPolarHBondContact O-CB 3.41Å; I68-T71 PolarHBondContact O-N 2.91Å; I68-T71 VanDerWaalsContact O-N 3.11Å; I69-T71 VanDerWaalsContact C-N 3.27Å; I69-T71 PolarHBondContact O-N 3.45Å; T71-K75 WeakPolarHBondContact O-CB 3.34Å; T71-K75 WeakPolarHBondContact O-CG 3.26Å; T71-K75 PolarHBondContact O-N 3.31Å
72V78.3Confident74.2Confident48 Ų48100.5 Ų100.529%0.29149%0.489SS..Hα-helixtrans-68.5-43.3177176.70000110.5I56 L60 I68 I69 K75 A76I56-V72 HydrophobicContact CG2-CG1 3.71Å; L60-V72 HydrophobicContact CD1-CB 3.8Å; L60-V72 HydrophobicContact CD1-CG1 3.57Å; L60-V72 HydrophobicContact CD1-CG2 4.08Å; I68-V72 HydrophobicContact CG2-CG2 4.29Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.92Å; I69-V72 PolarHBondContact O-N 3.16Å; I69-V72 VanDerWaalsContact O-N 3.12Å; V72-K75 PolarHBondContact O-N 2.92Å; V72-A76 WeakPolarHBondContact O-CB 3.37Å; V72-A76 PolarHBondContact O-N 3.1Å
73M74.3Confident73.2Confident38 Ų3898.8 Ų98.819%0.18748%0.48CS..Hα-helixtrans-62.4-44.3177-64.9-63.9-82.400111.4I53 G57 I69 R70 K75 A76 E77I53-M73 HydrophobicContact CG2-CE 3.41Å; I53-M73 VanDerWaalsContact CG2-CE 3.41Å; I53-M73 HydrophobicContact CG2-SD 3.95Å; I53-M73 VanDerWaalsContact O-CE 3.3Å; I53-M73 WeakPolarHBondContact O-CE 3.3Å; G57-M73 VanDerWaalsContact CA-SD 3.53Å; I69-M73 HydrophobicContact CG2-CG 4.12Å; I69-M73 VanDerWaalsContact O-CG 3.23Å; I69-M73 WeakPolarHBondContact O-CG 3.43Å; I69-M73 PolarHBondContact O-N 2.87Å; R70-M73 PolarHBondContact O-N 3.31Å; M73-K75 VanDerWaalsContact C-N 3.33Å; M73-K75 PolarHBondContact O-N 3.38Å; M73-A76 PolarHBondContact O-N 3.18Å; M73-E77 WeakPolarHBondContact O-CB 3.47Å; M73-E77 WeakPolarHBondContact O-CG 3.35Å; M73-E77 PolarHBondContact O-N 3.06Å
74E79.1Confident72Confident93 Ų9396.3 Ų96.344%0.43548%0.484SS..Hα-helixtrans-63-38.5176.3-167.3-170.5153.100112R70 K78R70-E74 WeakPolarHBondContact O-CB 3.34Å; R70-E74 PolarHBondContact O-N 2.82Å; E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 3.26Å; E74-K78 IonicContact OE1-NZ 2.69Å; E74-K78 PolarHBondContact OE1-NZ 3.16Å
75K79.4Confident70.7Confident145 Ų145102.7 Ų102.763%0.6351%0.511SS*.Hα-helixtrans-68.8-38.8173.9-76.4-176.8177.8-175.10112.1T71 V72 M73 K78 L79T71-K75 WeakPolarHBondContact O-CB 3.34Å; T71-K75 WeakPolarHBondContact O-CG 3.26Å; T71-K75 PolarHBondContact O-N 3.31Å; V72-K75 PolarHBondContact O-N 2.92Å; M73-K75 VanDerWaalsContact C-N 3.33Å; M73-K75 PolarHBondContact O-N 3.38Å; K75-K78 PolarHBondContact O-N 3.38Å; K75-L79 VanDerWaalsContact O-CB 3.29Å; K75-L79 WeakPolarHBondContact O-CB 3.06Å; K75-L79 PolarHBondContact O-N 3.39Å
76A74.2Confident69Low17 Ų17102 Ų10214%0.1451%0.512CS..Hα-helixtrans-66.5-42.4177.400000111.2I53 I56 V72 M73 L79 A80I53-A76 HydrophobicContact CG1-CB 4.09Å; I56-A76 HydrophobicContact CD1-CB 4.27Å; V72-A76 WeakPolarHBondContact O-CB 3.37Å; V72-A76 PolarHBondContact O-N 3.1Å; M73-A76 PolarHBondContact O-N 3.18Å; A76-L79 PolarHBondContact O-N 2.81Å; A76-A80 VanDerWaalsContact O-CB 3.24Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 2.86Å
77E71.5Confident67.2Low104 Ų104101.9 Ų101.949%0.48652%0.521SS..Hα-helixtrans-60-47.6171.5-76.5-178.9175.600111.5I53 M73 L79 A80 Y81I53-E77 HydrophobicContact CD1-CG 4.09Å; I53-E77 HydrophobicContact CG2-CG 4.46Å; M73-E77 WeakPolarHBondContact O-CB 3.47Å; M73-E77 WeakPolarHBondContact O-CG 3.35Å; M73-E77 PolarHBondContact O-N 3.06Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.17Å; E77-A80 PolarHBondContact O-N 2.88Å; E77-Y81 WeakPolarHBondContact O-CB 3.38Å; E77-Y81 WeakPolarHBondContact O-CD2 3.37Å; E77-Y81 PolarHBondContact O-N 3.29Å
78K76.3Confident65.6Low112 Ų11297.8 Ų97.849%0.48752%0.515SS..Hα-helixtrans-61.3-35.9176.7-80.8171.2174.2163.30112.8E74 K75 N82E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 3.26Å; E74-K78 IonicContact OE1-NZ 2.69Å; E74-K78 PolarHBondContact OE1-NZ 3.16Å; K75-K78 PolarHBondContact O-N 3.38Å; K78-N82 WeakPolarHBondContact O-CB 3.31Å; K78-N82 PolarHBondContact O-N 3.3Å; K78-N82 PolarHBondContact O-ND2 2.99Å
79L72.4Confident63.9Low150 Ų150100.7 Ų100.779%0.78553%0.531SS*.Hα-helixtrans-79.5-29.2-179.5-156.7138.9000111.9K75 A76 E77K75-L79 VanDerWaalsContact O-CB 3.29Å; K75-L79 WeakPolarHBondContact O-CB 3.06Å; K75-L79 PolarHBondContact O-N 3.39Å; A76-L79 PolarHBondContact O-N 2.81Å; E77-L79 VanDerWaalsContact C-N 3.29Å; E77-L79 PolarHBondContact O-N 3.17Å
80A65.7Low62.3Low13 Ų13107.8 Ų107.811%0.10757%0.569CS.*Hα-helixtrans-76.6-37.1176.300000113.3K49 I53 A76 E77K49-A80 HydrophobicContact CB-CB 4.1Å; K49-A80 HydrophobicContact CD-CB 4.01Å; K49-A80 VanDerWaalsContact CD-O 3.28Å; K49-A80 WeakPolarHBondContact CD-O 3.45Å; K49-A80 PolarHBondContact NZ-O 2.92Å; I53-A80 HydrophobicContact CD1-CB 3.88Å; A76-A80 VanDerWaalsContact O-CB 3.24Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 2.86Å; E77-A80 PolarHBondContact O-N 2.88Å
81Y65.6Low60.6Low132 Ų132107.7 Ų107.752%0.51857%0.574SS.*Hα-helixtrans-107-13.7-172.2-73.3-72.6000115.3R50 E77 D83R50-Y81 PolarHBondContact NE-OH 3.04Å; R50-Y81 VanDerWaalsContact NE-OH 3.15Å; E77-Y81 WeakPolarHBondContact O-CB 3.38Å; E77-Y81 WeakPolarHBondContact O-CD2 3.37Å; E77-Y81 PolarHBondContact O-N 3.29Å; Y81-D83 PolarHBondContact O-N 3.32Å
82N58.5Low58.9Low105 Ų105110.1 Ų110.156%0.56159%0.592SS**SBendtrans-85.499.6162.1-66.2-51.3000107.7K78 S84K78-N82 WeakPolarHBondContact O-CB 3.31Å; K78-N82 PolarHBondContact O-N 3.3Å; K78-N82 PolarHBondContact O-ND2 2.99Å; N82-S84 PolarHBondContact O-N 3.44Å
83D52.7Low57.1Low119 Ų119116.7 Ų116.764%0.63662%0.622SS**  trans-53.9130.3159.1-72.6-30.4000107.1Y81 E85Y81-D83 PolarHBondContact O-N 3.32Å; D83-E85 PolarHBondContact O-N 3.01Å
84S47.6Very low55.5Low123 Ų123122.5 Ų122.586%0.8665%0.654SS**THydrogen-bonded Turntrans-71.864.8-179.870.40000110.3N82N82-S84 PolarHBondContact O-N 3.44Å
85E46.8Very low53.7Low177 Ų177126.1 Ų126.183%0.82767%0.671SS**THydrogen-bonded Turntrans-116.30.8171.1-72.6-161.1155.400112.4D83D83-E85 PolarHBondContact O-N 3.01Å
86T43.8Very low52.1Low111 Ų111126.7 Ų126.768%0.68168%0.676SS**  trans-101.991.1163.461.30000109.8A88T86-A88 PolarHBondContact O-N 3.16Å
87S37Very low50.5Low126 Ų126133.2 Ų133.288%0.88170%0.701SS**  trans-60.360.6144.138.40000109.5
88A43.4Very low49.1Very low74 Ų74135.7 Ų135.761%0.61271%0.712SS**  trans-87.8110.6169.700000106.4T86 N90T86-A88 PolarHBondContact O-N 3.16Å; A88-N90 PolarHBondContact O-N 2.91Å
89D41.8Very low47.4Very low146 Ų146138.1 Ų138.178%0.78173%0.726SS**  trans-28.2127.9167.7-69.9-54.5000112K91D89-K91 PolarHBondContact O-N 3.03Å
90N44.2Very low45.8Very low169 Ų169137.1 Ų137.190%0.90472%0.721SS**  trans-6280155-92.7-18.1000107A88 C92A88-N90 PolarHBondContact O-N 2.91Å; N90-C92 PolarHBondContact O-N 3.45Å
91K40.4Very low44.7Very low195 Ų195145 Ų14585%0.84876%0.756SS**  trans-70.674.3165.3-146.4177.5-166.9-178.90105.6D89 M93D89-K91 PolarHBondContact O-N 3.03Å; K91-M93 PolarHBondContact O-N 2.85Å
92C43.1Very low43.3Very low115 Ų115146.8 Ų146.878%0.77777%0.774SS**  trans-55119.1160.4-168.90000105.5N90 N94N90-C92 PolarHBondContact O-N 3.45Å; C92-N94 PolarHBondContact O-N 3.12Å
93M40.7Very low42.2Very low187 Ų187145.4 Ų145.492%0.92179%0.785SS**  trans-50.8110.4178.8-69-149.4151.800109.7K91K91-M93 PolarHBondContact O-N 2.85Å
94N41.3Very low41.6Very low159 Ų159148.3 Ų148.385%0.8580%0.795SS**  trans-132.8113.3156-155.334000106.3C92C92-N94 PolarHBondContact O-N 3.12Å
95E41.2Very low41.1Very low170 Ų170148.5 Ų148.579%0.79479%0.786SS**  trans-59.4157.8171.1-66.5168.5149.600109.9
96E45.5Very low41.1Very low156 Ų156148.3 Ų148.373%0.72978%0.782SS**  trans106.6113.1165.4-56.4-167.5-169.900118.7
97K42Very low40.8Very low154 Ų154152.4 Ų152.467%0.6779%0.79SS**  trans84.8106143.8-68.6167.8-177.3133.40117.8
98E41.8Very low41Very low156 Ų156154.1 Ų154.173%0.72979%0.79SS**  92.211095.5-81.7176.3-163.500109.4
99E39.7Very low40.8Very low164 Ų164160 Ų16077%0.76680%0.804SS**  65.4115.5111.1-69.3-177.5-17600110.4
100D39.3Very low41Very low129 Ų129161.2 Ų161.269%0.6981%0.806SS**  cis-177.2160.249.5-96.8-35.1000111.3
101E41.5Very low41.1Very low179 Ų179159.3 Ų159.384%0.83679%0.791SS**  trans67.4101.7142.8-68.4-179169.900122.9
102D36.6Very low41Very low169 Ų169156.5 Ų156.590%0.90479%0.79SS**  8.7132.4126.8-146.18.9000119.7
103G36.7Very low41.3Very low76 Ų76158.2 Ų158.278%0.78479%0.785SS**  trans-172.285.6-178.300000112.3
104E40.2Very low41.8Very low180 Ų180153 Ų15384%0.84177%0.766SS**  trans-52.2147.3178.9-139.2176.1-160.600115
105D36.9Very low42.4Very low126 Ų126150 Ų15067%0.67475%0.75SS**  trans106.2138.8130.4-14315.3000120.4
106K46.3Very low43Very low174 Ų174145.8 Ų145.876%0.75775%0.745SS**  trans95.297.9157.7-55.7-174.1-176.6166.30120.3
107K37.2Very low43.6Very low196 Ų196146.6 Ų146.685%0.85275%0.746SS**  2126.5128.4-69.7177.1176.1-179.50114.9
108D40.6Very low44.4Very low163 Ų163142.2 Ų142.287%0.87273%0.734SS**  -153.5127.7124.6-90.5-32.1000110.1E110D108-E110 PolarHBondContact O-N 2.86Å
109E39.8Very low45.2Very low196 Ų196141.5 Ų141.592%0.91673%0.733SS**  trans-70.6105.8167-67.5170.816700107.4
110E46.9Very low46.9Very low172 Ų172138.6 Ų138.680%0.80472%0.723SS**  trans-145.8107.9166.1-135.9174.4-154.900112.1D108D108-E110 PolarHBondContact O-N 2.86Å
111E44.8Very low48.8Very low130 Ų130134.8 Ų134.861%0.60771%0.709SS**  trans53.7109.7141.7-66.1-165.8158.100119.7K113E111-K113 VanDerWaalsContact C-N 3.25Å; E111-K113 PolarHBondContact O-N 3.11Å; E111-K113 IonicContact OE2-NZ 2.7Å; E111-K113 PolarHBondContact OE2-NZ 3.3Å
112V39.8Very low50.7Low135 Ų135132 Ų13282%0.81870%0.697SS**SBendtrans-33.978.5147.2-172.30000112.8
113K48.1Very low52.9Low152 Ų152126.7 Ų126.766%0.66168%0.677SS**  trans-146.513.1168.3-69.9-172.6-175.8131.80112.9E111E111-K113 VanDerWaalsContact C-N 3.25Å; E111-K113 PolarHBondContact O-N 3.11Å; E111-K113 IonicContact OE2-NZ 2.7Å; E111-K113 PolarHBondContact OE2-NZ 3.3Å
114S51.3Low55.1Low77 Ų77126.5 Ų126.554%0.53866%0.66SS.*  trans-86.9-19.2-175.751.60000115A116 K117 S118S114-A116 PolarHBondContact O-N 3.4Å; S114-K117 PolarHBondContact O-N 3.06Å; S114-S118 PolarHBondContact O-N 2.99Å
115D54.9Low57.3Low96 Ų96124.9 Ų124.951%0.51365%0.65SS.*Hα-helixtrans-70.5-34.8-170.9-64.3-42.9000113.8K117 S118 M119D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.27Å; D115-S118 WeakPolarHBondContact CA-OG 3.43Å; D115-S118 PolarHBondContact O-N 3.33Å; D115-S118 PolarHBondContact O-OG 2.68Å; D115-M119 WeakPolarHBondContact O-CB 3.36Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.35Å
116A52.6Low59.8Low82 Ų82122 Ų12268%0.67864%0.638SS**Hα-helixtrans-68.3-33.2176.700000112.5S114 N120S114-A116 PolarHBondContact O-N 3.4Å; A116-N120 WeakPolarHBondContact O-CB 3.35Å; A116-N120 PolarHBondContact O-N 3.15Å
117K57.8Low61.7Low173 Ų173115.7 Ų115.775%0.75262%0.618SS**Hα-helixtrans-75.8-35.6174.7-73.8-178.7-178.1173.40111.5S114 D115 A121S114-K117 PolarHBondContact O-N 3.06Å; D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.27Å; K117-A121 WeakPolarHBondContact O-CB 3.32Å; K117-A121 PolarHBondContact O-N 3.46Å
118S58.7Low64.1Low61 Ų61110.7 Ų110.743%0.42760%0.6SS.*Hα-helixtrans-71.7-39.6178.376.70000112.1S114 D115 A121 M122S114-S118 PolarHBondContact O-N 2.99Å; D115-S118 WeakPolarHBondContact CA-OG 3.43Å; D115-S118 PolarHBondContact O-N 3.33Å; D115-S118 PolarHBondContact O-OG 2.68Å; S118-A121 WeakPolarHBondContact O-CB 3.4Å; S118-A121 PolarHBondContact O-N 3.14Å; S118-M122 PolarHBondContact O-N 3.27Å
119M60.5Low66.4Low141 Ų141105.6 Ų105.670%0.69558%0.581SS**Hα-helixtrans-64.2-40.7174-72.8-171.6178.300112D115 A121 M122 A123D115-M119 WeakPolarHBondContact O-CB 3.36Å; D115-M119 WeakPolarHBondContact O-CG 3.46Å; D115-M119 PolarHBondContact O-N 3.35Å; M119-A121 VanDerWaalsContact C-N 3.35Å; M119-M122 PolarHBondContact O-N 3.13Å; M119-A123 WeakPolarHBondContact O-CB 3.29Å; M119-A123 PolarHBondContact O-N 2.94Å
120N75.3Confident68.8Low104 Ų104100.2 Ų100.256%0.55656%0.557SS**Hα-helixtrans-64-40.8174-166.6-2.9000111.3A116 M122 A123 V124A116-N120 WeakPolarHBondContact O-CB 3.35Å; A116-N120 PolarHBondContact O-N 3.15Å; N120-M122 VanDerWaalsContact C-N 3.35Å; N120-M122 PolarHBondContact O-N 3.36Å; N120-A123 PolarHBondContact O-N 3.39Å; N120-V124 VanDerWaalsContact O-CG2 3.29Å; N120-V124 WeakPolarHBondContact O-CG2 3.34Å; N120-V124 PolarHBondContact O-N 3.01Å
121A78.2Confident70.8Confident48 Ų4898.7 Ų98.740%0.39755%0.548SS..Hα-helixtrans-62.5-39.6174.700000112.6K117 S118 M119 V124 K125K117-A121 WeakPolarHBondContact O-CB 3.32Å; K117-A121 PolarHBondContact O-N 3.46Å; S118-A121 WeakPolarHBondContact O-CB 3.4Å; S118-A121 PolarHBondContact O-N 3.14Å; M119-A121 VanDerWaalsContact C-N 3.35Å; A121-V124 PolarHBondContact O-N 3.22Å; A121-K125 WeakPolarHBondContact O-CG 3.45Å; A121-K125 PolarHBondContact O-N 2.93Å
122M81.3Confident72.9Confident121 Ų12194.9 Ų94.960%0.59654%0.539SS*.Hα-helixtrans-66.3-45.1175-166.568.8-177.300111.4S118 M119 N120 V124 K125 V126S118-M122 PolarHBondContact O-N 3.27Å; M119-M122 PolarHBondContact O-N 3.13Å; N120-M122 VanDerWaalsContact C-N 3.35Å; N120-M122 PolarHBondContact O-N 3.36Å; M122-V124 VanDerWaalsContact C-N 3.31Å; M122-V124 PolarHBondContact O-N 3.18Å; M122-K125 WeakPolarHBondContact O-CB 3.34Å; M122-K125 PolarHBondContact O-N 3.19Å; M122-K125 VanDerWaalsContact O-N 3.14Å; M122-V126 HydrophobicContact CE-CG2 4.43Å; M122-V126 WeakPolarHBondContact O-CG2 3.4Å; M122-V126 PolarHBondContact O-N 3.43Å
123A82.7Confident75.2Confident58 Ų5894.3 Ų94.348%0.47953%0.527SS..Hα-helixtrans-58.9-41.717600000112M119 N120 V126 A127M119-A123 WeakPolarHBondContact O-CB 3.29Å; M119-A123 PolarHBondContact O-N 2.94Å; N120-A123 PolarHBondContact O-N 3.39Å; A123-V126 PolarHBondContact O-N 3.5Å; A123-A127 VanDerWaalsContact O-CB 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.27Å; A123-A127 PolarHBondContact O-N 3.47Å
124V83.3Confident77Confident71 Ų7190.8 Ų90.843%0.4352%0.516SS..Hα-helixtrans-64.3-42.9174.5171.70000111.5N120 A121 M122 A127 N128N120-V124 VanDerWaalsContact O-CG2 3.29Å; N120-V124 WeakPolarHBondContact O-CG2 3.34Å; N120-V124 PolarHBondContact O-N 3.01Å; A121-V124 PolarHBondContact O-N 3.22Å; M122-V124 VanDerWaalsContact C-N 3.31Å; M122-V124 PolarHBondContact O-N 3.18Å; V124-A127 PolarHBondContact O-N 2.85Å; V124-N128 WeakPolarHBondContact O-CB 3.36Å; V124-N128 PolarHBondContact O-N 2.91Å; V124-N128 PolarHBondContact O-ND2 3.42Å
125K87.4Confident78.7Confident146 Ų14689 Ų8964%0.63551%0.505SS*.Hα-helixtrans-61.8-45.9175.7-75.9177.1-178.9-179.50111.7A121 M122 N128 A129A121-K125 WeakPolarHBondContact O-CG 3.45Å; A121-K125 PolarHBondContact O-N 2.93Å; M122-K125 WeakPolarHBondContact O-CB 3.34Å; M122-K125 PolarHBondContact O-N 3.19Å; M122-K125 VanDerWaalsContact O-N 3.14Å; K125-N128 PolarHBondContact O-N 3.43Å; K125-A129 WeakPolarHBondContact O-CB 3.32Å; K125-A129 PolarHBondContact O-N 3.07Å
126V89.5Confident80.3Confident67 Ų6791 Ų9141%0.40651%0.509SS..Hα-helixtrans-62.8-46.5176.9172.20000110.6M122 A123 N128 A129 I130M122-V126 HydrophobicContact CE-CG2 4.43Å; M122-V126 WeakPolarHBondContact O-CG2 3.4Å; M122-V126 PolarHBondContact O-N 3.43Å; A123-V126 PolarHBondContact O-N 3.5Å; V126-N128 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.49Å; V126-A129 PolarHBondContact O-N 3.29Å; V126-A129 VanDerWaalsContact O-N 3.16Å; V126-I130 HydrophobicContact CG1-CD1 3.71Å; V126-I130 HydrophobicContact CG1-CG1 4.34Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.47Å; V126-I130 PolarHBondContact O-N 3.29Å
127A85.3Confident82Confident41 Ų4189.5 Ų89.534%0.33949%0.492SS..Hα-helixtrans-61-40.5176.900000112.2A123 V124 K131A123-A127 VanDerWaalsContact O-CB 3.26Å; A123-A127 WeakPolarHBondContact O-CB 3.27Å; A123-A127 PolarHBondContact O-N 3.47Å; V124-A127 PolarHBondContact O-N 2.85Å; A127-K131 WeakPolarHBondContact O-CB 3.49Å; A127-K131 VanDerWaalsContact O-CG 3.23Å; A127-K131 WeakPolarHBondContact O-CG 3.38Å; A127-K131 PolarHBondContact O-N 3.2Å
128N87.6Confident83.4Confident90 Ų9087.1 Ų87.148%0.48148%0.484SS..Hα-helixtrans-67.4-38.6175.3-72.4-20.2000111.9V124 K125 V126 K131 A132V124-N128 WeakPolarHBondContact O-CB 3.36Å; V124-N128 PolarHBondContact O-N 2.91Å; V124-N128 PolarHBondContact O-ND2 3.42Å; K125-N128 PolarHBondContact O-N 3.43Å; V126-N128 VanDerWaalsContact C-N 3.32Å; V126-N128 PolarHBondContact O-N 3.49Å; N128-K131 PolarHBondContact O-N 3.39Å; N128-A132 VanDerWaalsContact O-CB 3.31Å; N128-A132 WeakPolarHBondContact O-CB 3.21Å; N128-A132 PolarHBondContact O-N 3.21Å
129A88.7Confident84.8Confident57 Ų5791 Ų9147%0.47149%0.493SS..Hα-helixtrans-64.3-47.2175.500000111.6K125 V126 K131 A132 E133K125-A129 WeakPolarHBondContact O-CB 3.32Å; K125-A129 PolarHBondContact O-N 3.07Å; V126-A129 PolarHBondContact O-N 3.29Å; V126-A129 VanDerWaalsContact O-N 3.16Å; A129-K131 PolarHBondContact O-N 3Å; A129-A132 PolarHBondContact O-N 3.46Å; A129-A132 VanDerWaalsContact O-N 3.17Å; A129-E133 WeakPolarHBondContact O-CB 3.44Å; A129-E133 PolarHBondContact O-N 3.38Å
130I89.8Confident86.2Confident82 Ų8289 Ų8942%0.42148%0.482SS..Hα-helixtrans-60.6-45.2175.7-67.3167.3000110.4V126 A132 E133 N134V126-I130 HydrophobicContact CG1-CD1 3.71Å; V126-I130 HydrophobicContact CG1-CG1 4.34Å; V126-I130 VanDerWaalsContact O-CG1 3.31Å; V126-I130 WeakPolarHBondContact O-CG1 3.47Å; V126-I130 PolarHBondContact O-N 3.29Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.18Å; I130-E133 PolarHBondContact O-N 2.83Å; I130-N134 VanDerWaalsContact O-CB 3.29Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 3.41Å; I130-N134 PolarHBondContact O-ND2 3.43Å
131K89.3Confident86.9Confident140 Ų14088.6 Ų88.661%0.60948%0.475SS*.Hα-helixtrans-60.4-41.4175.3-77174.5-178.4178.40112A127 N128 A129 A135A127-K131 WeakPolarHBondContact O-CB 3.49Å; A127-K131 VanDerWaalsContact O-CG 3.23Å; A127-K131 WeakPolarHBondContact O-CG 3.38Å; A127-K131 PolarHBondContact O-N 3.2Å; N128-K131 PolarHBondContact O-N 3.39Å; A129-K131 PolarHBondContact O-N 3Å; K131-A135 VanDerWaalsContact O-CB 3.27Å; K131-A135 WeakPolarHBondContact O-CB 3.47Å; K131-A135 PolarHBondContact O-N 3.04Å
132A89.4Confident87.5Confident51 Ų5190.4 Ų90.442%0.42148%0.481SS..Hα-helixtrans-67.8-39.6178.300000112.1N128 A129 I130 K136N128-A132 VanDerWaalsContact O-CB 3.31Å; N128-A132 WeakPolarHBondContact O-CB 3.21Å; N128-A132 PolarHBondContact O-N 3.21Å; A129-A132 PolarHBondContact O-N 3.46Å; A129-A132 VanDerWaalsContact O-N 3.17Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.18Å; A132-K136 WeakPolarHBondContact O-CG 3.49Å; A132-K136 PolarHBondContact O-N 2.88Å
133E87.1Confident87.9Confident122 Ų12291.3 Ų91.357%0.5748%0.482SS*.Hα-helixtrans-66.4-47.2174.8-167.9-172.5173.600111.4A129 I130 A135 K136 T137A129-E133 WeakPolarHBondContact O-CB 3.44Å; A129-E133 PolarHBondContact O-N 3.38Å; I130-E133 PolarHBondContact O-N 2.83Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 2.9Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 2.97Å; E133-T137 WeakPolarHBondContact O-CG2 3.48Å; E133-T137 PolarHBondContact O-N 3.3Å; E133-T137 PolarHBondContact O-OG1 3.19Å
134N86.3Confident88.3Confident79 Ų7988.5 Ų88.542%0.42246%0.459SS..Hα-helixtrans-57.9-44174.8-71.5-13.4000111.3I130 K136 T137 E138I130-N134 VanDerWaalsContact O-CB 3.29Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 3.41Å; I130-N134 PolarHBondContact O-ND2 3.43Å; N134-K136 VanDerWaalsContact C-N 3.3Å; N134-K136 PolarHBondContact O-N 3.3Å; N134-T137 WeakPolarHBondContact CA-OG1 3.3Å; N134-T137 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-OG1 2.8Å; N134-E138 WeakPolarHBondContact O-CB 3.23Å; N134-E138 VanDerWaalsContact O-CG 3.32Å; N134-E138 WeakPolarHBondContact O-CG 3.27Å; N134-E138 PolarHBondContact O-N 3.27Å
135A88.1Confident88.7Confident38 Ų3888 Ų8831%0.31445%0.449SS..Hα-helixtrans-64.3-32.5176.300000113.1K131 E133 K139K131-A135 VanDerWaalsContact O-CB 3.27Å; K131-A135 WeakPolarHBondContact O-CB 3.47Å; K131-A135 PolarHBondContact O-N 3.04Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 2.9Å; A135-K139 WeakPolarHBondContact O-CB 3.38Å; A135-K139 WeakPolarHBondContact O-CD 3.49Å; A135-K139 WeakPolarHBondContact O-CG 3.44Å; A135-K139 PolarHBondContact O-N 2.81Å
136K88.5Confident88.9Confident138 Ų13885.8 Ų85.860%0.645%0.445SS*.Hα-helixtrans-70.1-48.6174.2-74.5173.7-177.5-179.10111A132 E133 N134 E138 K139 E140A132-K136 WeakPolarHBondContact O-CG 3.49Å; A132-K136 PolarHBondContact O-N 2.88Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 2.97Å; N134-K136 VanDerWaalsContact C-N 3.3Å; N134-K136 PolarHBondContact O-N 3.3Å; K136-E138 VanDerWaalsContact C-N 3.33Å; K136-E138 PolarHBondContact O-N 3.37Å; K136-K139 PolarHBondContact O-N 2.67Å; K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 3Å
137T87.2Confident88.9Confident51 Ų5184.4 Ų84.431%0.31344%0.44SS..Hα-helixtrans-64.4-37.1-179.959.70000112E133 N134 E140 K141E133-T137 WeakPolarHBondContact O-CG2 3.48Å; E133-T137 PolarHBondContact O-N 3.3Å; E133-T137 PolarHBondContact O-OG1 3.19Å; N134-T137 WeakPolarHBondContact CA-OG1 3.3Å; N134-T137 PolarHBondContact O-N 2.9Å; N134-T137 PolarHBondContact O-OG1 2.8Å; T137-E140 PolarHBondContact O-N 3.27Å; T137-K141 WeakPolarHBondContact O-CG 3.32Å; T137-K141 PolarHBondContact O-N 2.85Å
138E86.9Confident89.2Confident123 Ų12382.5 Ų82.558%0.57542%0.424SS*.Hα-helixtrans-63.4-46.7172.3-77178.517900112.1N134 K136 E140 K141 V142N134-E138 WeakPolarHBondContact O-CB 3.23Å; N134-E138 VanDerWaalsContact O-CG 3.32Å; N134-E138 WeakPolarHBondContact O-CG 3.27Å; N134-E138 PolarHBondContact O-N 3.27Å; K136-E138 VanDerWaalsContact C-N 3.33Å; K136-E138 PolarHBondContact O-N 3.37Å; E138-E140 VanDerWaalsContact C-N 3.27Å; E138-E140 PolarHBondContact O-N 3.3Å; E138-K141 WeakPolarHBondContact O-CB 3.18Å; E138-K141 PolarHBondContact O-N 3.39Å; E138-V142 WeakPolarHBondContact O-CG2 3.29Å; E138-V142 PolarHBondContact O-N 2.88Å
139K89.6Confident89.2Confident142 Ų14279.3 Ų79.362%0.61741%0.409SS*.Hα-helixtrans-59.9-39175.8-76.9172.9-176.7178.60111.9A135 K136 K143A135-K139 WeakPolarHBondContact O-CB 3.38Å; A135-K139 WeakPolarHBondContact O-CD 3.49Å; A135-K139 WeakPolarHBondContact O-CG 3.44Å; A135-K139 PolarHBondContact O-N 2.81Å; K136-K139 PolarHBondContact O-N 2.67Å; K139-K143 WeakPolarHBondContact O-CB 3.38Å; K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.44Å; K139-K143 PolarHBondContact O-N 2.93Å
140E89Confident89.2Confident101 Ų10180 Ų8047%0.47242%0.422SS..Hα-helixtrans-66.2-43.3175.4-74.2174.5-175.300112K136 T137 E138 V142 K143 A144 A162K136-E140 WeakPolarHBondContact O-CG 3.31Å; K136-E140 PolarHBondContact O-N 3Å; T137-E140 PolarHBondContact O-N 3.27Å; E138-E140 VanDerWaalsContact C-N 3.27Å; E138-E140 PolarHBondContact O-N 3.3Å; E140-V142 PolarHBondContact O-N 3.07Å; E140-K143 PolarHBondContact O-N 3.17Å; E140-A144 WeakPolarHBondContact O-CB 3.32Å; E140-A144 PolarHBondContact O-N 3.47Å; E140-A162 HydrophobicContact CB-CB 4.44Å
141K89.7Confident89.1Confident95 Ų9577.7 Ų77.741%0.41341%0.411SS..Hα-helixtrans-58.6-46.2174.1-76.2174.4-179.1178.20111.8T137 E138 K143 A144 Y145 M165T137-K141 WeakPolarHBondContact O-CG 3.32Å; T137-K141 PolarHBondContact O-N 2.85Å; E138-K141 WeakPolarHBondContact O-CB 3.18Å; E138-K141 PolarHBondContact O-N 3.39Å; K141-K143 PolarHBondContact O-N 3.42Å; K141-A144 PolarHBondContact O-N 3.33Å; K141-Y145 WeakPolarHBondContact O-CB 3.32Å; K141-Y145 PolarHBondContact O-N 3.32Å; K141-M165 HydrophobicContact CB-CE 3.82Å; K141-M165 HydrophobicContact CG-CE 3.98Å; K141-M165 VanDerWaalsContact O-CE 3.29Å; K141-M165 WeakPolarHBondContact O-CE 3.39Å
142V90.4Very high89Confident85 Ų8573.1 Ų73.152%0.51539%0.393SS..Hα-helixtrans-63-43.1177.8173.80000111.3E138 E140 Y145 N146E138-V142 WeakPolarHBondContact O-CG2 3.29Å; E138-V142 PolarHBondContact O-N 2.88Å; E140-V142 PolarHBondContact O-N 3.07Å; V142-Y145 PolarHBondContact O-N 2.9Å; V142-N146 VanDerWaalsContact O-CG 3.29Å; V142-N146 PolarHBondContact O-N 3.37Å; V142-N146 PolarHBondContact O-ND2 2.88Å
143K90.3Very high88.9Confident140 Ų14072.2 Ų72.261%0.60939%0.388SS*.Hα-helixtrans-62.1-43.4175.6-75.7174.1-179.1-179.30112.1K139 E140 K141 A147K139-K143 WeakPolarHBondContact O-CB 3.38Å; K139-K143 VanDerWaalsContact O-CG 3.27Å; K139-K143 WeakPolarHBondContact O-CG 3.44Å; K139-K143 PolarHBondContact O-N 2.93Å; E140-K143 PolarHBondContact O-N 3.17Å; K141-K143 PolarHBondContact O-N 3.42Å; K143-A147 WeakPolarHBondContact O-CB 3.47Å; K143-A147 PolarHBondContact O-N 2.89Å
144A91.7Very high89Confident0 Ų073.5 Ų73.50%040%0.399CS..Hα-helixtrans-65.7-42.5178.400000111.6E140 K141 A147 A148 A162 M165 Y166E140-A144 WeakPolarHBondContact O-CB 3.32Å; E140-A144 PolarHBondContact O-N 3.47Å; K141-A144 PolarHBondContact O-N 3.33Å; A144-A147 PolarHBondContact O-N 2.94Å; A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.5Å; A144-A148 PolarHBondContact O-N 2.98Å; A144-A162 HydrophobicContact CB-CB 3.9Å; A144-M165 HydrophobicContact CB-CB 4.14Å; A144-M165 HydrophobicContact CB-CE 4.06Å; A144-Y166 WeakPolarHBondContact CA-OH 3.23Å; A144-Y166 HydrophobicContact CB-CD2 4.13Å; A144-Y166 HydrophobicContact CB-CE1 4.03Å; A144-Y166 HydrophobicContact CB-CE2 3.57Å
145Y91.7Very high89.2Confident59 Ų5970.9 Ų70.923%0.23138%0.384CS..Hα-helixtrans-57.8-54.1174.3-178.1-102000111.5K141 V142 A147 A148 C149 F155 P157 M165K141-Y145 WeakPolarHBondContact O-CB 3.32Å; K141-Y145 PolarHBondContact O-N 3.32Å; V142-Y145 PolarHBondContact O-N 2.9Å; Y145-A147 VanDerWaalsContact C-N 3.29Å; Y145-A147 PolarHBondContact O-N 2.82Å; Y145-A148 PolarHBondContact O-N 3.46Å; Y145-C149 WeakPolarHBondContact CE1-SG 3.3Å; Y145-C149 VanDerWaalsContact CE2-SG 3.51Å; Y145-C149 WeakPolarHBondContact O-CB 3.24Å; Y145-C149 PolarHBondContact O-N 3.35Å; Y145-C149 PolarHBondContact O-SG 3.05Å; Y145-C149 VanDerWaalsContact O-SG 3.39Å; Y145-F155 HydrophobicContact CD2-CD1 4.41Å; Y145-F155 AromaticContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE2 4.1Å; Y145-F155 AromaticContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CE2-CD1 4.06Å; Y145-F155 AromaticContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE2 4.33Å; Y145-F155 HydrophobicContact CE2-CG 4.41Å; Y145-F155 AromaticContact CE2-CZ 3.98Å; Y145-F155 HydrophobicContact CE2-CZ 3.98Å; Y145-F155 VanDerWaalsContact CE2-O 3.32Å; Y145-F155 WeakPolarHBondContact CE2-O 3.27Å; Y145-F155 PolarHBondContact OH-O 2.95Å; Y145-P157 HydrophobicContact CD2-CB 3.81Å; Y145-P157 HydrophobicContact CD2-CG 3.85Å; Y145-P157 HydrophobicContact CE2-CB 4.22Å; Y145-P157 HydrophobicContact CE2-CG 3.9Å; Y145-M165 HydrophobicContact CD2-SD 4.24Å
146N91.1Very high89.3Confident101 Ų10174.6 Ų74.654%0.5440%0.399SS..Hα-helixtrans-60-39-179.6-69.6-16.6000112.3V142 G150V142-N146 VanDerWaalsContact O-CG 3.29Å; V142-N146 PolarHBondContact O-N 3.37Å; V142-N146 PolarHBondContact O-ND2 2.88Å; N146-G150 PolarHBondContact O-N 2.91Å
147A90.1Very high89.3Confident38 Ų3870.4 Ų70.431%0.31439%0.385SS..Hα-helixtrans-68.1-43.217700000112.2K143 A144 Y145 G150 Y166 L190K143-A147 WeakPolarHBondContact O-CB 3.47Å; K143-A147 PolarHBondContact O-N 2.89Å; A144-A147 PolarHBondContact O-N 2.94Å; Y145-A147 VanDerWaalsContact C-N 3.29Å; Y145-A147 PolarHBondContact O-N 2.82Å; A147-G150 PolarHBondContact O-N 3.34Å; A147-Y166 HydrophobicContact CB-CE1 3.94Å; A147-L190 HydrophobicContact CB-CD2 3.96Å
148A90.1Very high89.3Confident0 Ų076.5 Ų76.50%041%0.408CS..Hα-helixtrans-68.3-40.6178.600000112.2A144 Y145 G150 V151 I152 F155 A169A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.5Å; A144-A148 PolarHBondContact O-N 2.98Å; Y145-A148 PolarHBondContact O-N 3.46Å; A148-G150 PolarHBondContact O-N 3.31Å; A148-V151 PolarHBondContact O-N 3.13Å; A148-I152 PolarHBondContact O-N 3.48Å; A148-F155 HydrophobicContact CB-CE1 3.62Å; A148-F155 HydrophobicContact CB-CZ 3.86Å; A148-A169 HydrophobicContact CB-CB 3.82Å
149C88.9Confident89.4Confident23 Ų2374.3 Ų74.316%0.15542%0.418CS..Hα-helixtrans-60-33.2175.3-790000112.7Y145 V151 G153Y145-C149 WeakPolarHBondContact CE1-SG 3.3Å; Y145-C149 VanDerWaalsContact CE2-SG 3.51Å; Y145-C149 WeakPolarHBondContact O-CB 3.24Å; Y145-C149 PolarHBondContact O-N 3.35Å; Y145-C149 PolarHBondContact O-SG 3.05Å; Y145-C149 VanDerWaalsContact O-SG 3.39Å; C149-V151 PolarHBondContact O-N 2.82Å; C149-V151 VanDerWaalsContact O-N 3.09Å; C149-G153 WeakPolarHBondContact CA-O 3.5Å; C149-G153 VanDerWaalsContact O-CA 3.31Å; C149-G153 WeakPolarHBondContact O-CA 3.26Å; C149-G153 PolarHBondContact O-N 3.15Å
150G87.6Confident89.3Confident72 Ų7269.9 Ų69.974%0.74240%0.4SS*.Hα-helixtrans-61.9-14.8174.500000114.3N146 A147 A148N146-G150 PolarHBondContact O-N 2.91Å; A147-G150 PolarHBondContact O-N 3.34Å; A148-G150 PolarHBondContact O-N 3.31Å
151V87.2Confident89.4Confident34 Ų3468.3 Ų68.321%0.20640%0.398CS..Hα-helixtrans-115.3-49.5-178.2176.10000112.3A148 C149 L173 L190A148-V151 PolarHBondContact O-N 3.13Å; C149-V151 PolarHBondContact O-N 2.82Å; C149-V151 VanDerWaalsContact O-N 3.09Å; V151-L173 HydrophobicContact CG1-CD1 3.81Å; V151-L173 HydrophobicContact CG1-CD2 3.62Å; V151-L173 HydrophobicContact CG1-CG 3.58Å; V151-L173 HydrophobicContact CG2-CD1 4.42Å; V151-L190 HydrophobicContact CB-CD1 4.49Å; V151-L190 HydrophobicContact CG2-CD1 3.89Å; V151-L190 HydrophobicContact CG2-CG 4.5Å
152I88.1Confident89.4Confident44 Ų4464.4 Ų64.423%0.22638%0.383CS..Hα-helixtrans-88.3-23.5-175-53.4166.8000111.8A148 K168 A169 H172A148-I152 PolarHBondContact O-N 3.48Å; I152-K168 HydrophobicContact CD1-CB 4.26Å; I152-K168 HydrophobicContact CD1-CD 4.38Å; I152-K168 HydrophobicContact CD1-CG 3.95Å; I152-A169 HydrophobicContact CD1-CB 3.8Å; I152-A169 HydrophobicContact CG1-CB 4.2Å; I152-H172 HydrophobicContact CD1-CB 4.46Å; I152-H172 HydrophobicContact CG1-CB 3.86Å
153G86.7Confident89.4Confident31 Ų3163.5 Ų63.532%0.3237%0.373SS..  trans85.2-169.1-161.600000112.3C149 F155C149-G153 WeakPolarHBondContact CA-O 3.5Å; C149-G153 VanDerWaalsContact O-CA 3.31Å; C149-G153 WeakPolarHBondContact O-CA 3.26Å; C149-G153 PolarHBondContact O-N 3.15Å; G153-F155 PolarHBondContact O-N 3.02Å
154D89.2Confident89.5Confident150 Ų15060 Ų6080%0.80236%0.36SS*.SBendtrans-65133-176.8-67.8-27.4000112
155F90.4Very high89.4Confident23 Ų2360 Ų6010%0.10136%0.361CS..  trans-142.6162.8175.669.8-83.6000110.6Y145 A148 G153 P157 M160 M165 K168Y145-F155 HydrophobicContact CD2-CD1 4.41Å; Y145-F155 AromaticContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE1 3.72Å; Y145-F155 HydrophobicContact CD2-CE2 4.1Å; Y145-F155 AromaticContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CD2-CZ 3.56Å; Y145-F155 HydrophobicContact CE2-CD1 4.06Å; Y145-F155 AromaticContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE1 3.82Å; Y145-F155 HydrophobicContact CE2-CE2 4.33Å; Y145-F155 HydrophobicContact CE2-CG 4.41Å; Y145-F155 AromaticContact CE2-CZ 3.98Å; Y145-F155 HydrophobicContact CE2-CZ 3.98Å; Y145-F155 VanDerWaalsContact CE2-O 3.32Å; Y145-F155 WeakPolarHBondContact CE2-O 3.27Å; Y145-F155 PolarHBondContact OH-O 2.95Å; A148-F155 HydrophobicContact CB-CE1 3.62Å; A148-F155 HydrophobicContact CB-CZ 3.86Å; G153-F155 PolarHBondContact O-N 3.02Å; F155-P157 HydrophobicContact CE2-CB 4.17Å; F155-P157 VanDerWaalsContact O-CD 3.24Å; F155-P157 WeakPolarHBondContact O-CD 3.24Å; F155-M160 HydrophobicContact CD2-SD 4.36Å; F155-M160 HydrophobicContact CE2-SD 4.18Å; F155-M165 HydrophobicContact CE2-CG 3.84Å; F155-M165 HydrophobicContact CE2-SD 4.1Å; F155-M165 HydrophobicContact CZ-CB 4.13Å; F155-M165 HydrophobicContact CZ-CG 3.83Å; F155-M165 HydrophobicContact CZ-SD 3.89Å; F155-K168 HydrophobicContact CD2-CD 4.41Å
156N90.3Very high89.5Confident117 Ų11758.3 Ų58.363%0.62635%0.354SS*.  trans-82.7115.7175.1-175.55.2000110.4F158N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 WeakPolarHBondContact OD1-CB 3.31Å; N156-F158 PolarHBondContact OD1-N 2.99Å
157P88.2Confident89.5Confident49 Ų4955.2 Ų55.232%0.31834%0.338SS..  trans-86.50.7177.435.8-35000113.5Y145 F155 G159 M160 M165Y145-P157 HydrophobicContact CD2-CB 3.81Å; Y145-P157 HydrophobicContact CD2-CG 3.85Å; Y145-P157 HydrophobicContact CE2-CB 4.22Å; Y145-P157 HydrophobicContact CE2-CG 3.9Å; F155-P157 HydrophobicContact CE2-CB 4.17Å; F155-P157 VanDerWaalsContact O-CD 3.24Å; F155-P157 WeakPolarHBondContact O-CD 3.24Å; P157-G159 PolarHBondContact O-N 3.3Å; P157-M160 WeakPolarHBondContact O-CB 3.31Å; P157-M160 PolarHBondContact O-N 3.46Å; P157-M165 HydrophobicContact CB-SD 3.78Å
158F88.2Confident89.5Confident180 Ų18057.4 Ų57.479%0.78934%0.341SS*.THydrogen-bonded Turntrans-58.2128.7-177.4-173.1-98.8000111.5N156 M160N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 WeakPolarHBondContact OD1-CB 3.31Å; N156-F158 PolarHBondContact OD1-N 2.99Å; F158-M160 PolarHBondContact O-N 3.36Å
159G88.6Confident89.6Confident76 Ų7657.4 Ų57.478%0.78434%0.341SS*.THydrogen-bonded Turntrans74.3-2.8-176.800000115.4P157P157-G159 PolarHBondContact O-N 3.3Å
160M87.9Confident89.7Confident49 Ų4956.3 Ų56.324%0.24133%0.333CS..  trans-90.8138.2179.4-54.5-165.489.400111.2F155 P157 F158 D164 M165 K168F155-M160 HydrophobicContact CD2-SD 4.36Å; F155-M160 HydrophobicContact CE2-SD 4.18Å; P157-M160 WeakPolarHBondContact O-CB 3.31Å; P157-M160 PolarHBondContact O-N 3.46Å; F158-M160 PolarHBondContact O-N 3.36Å; M160-D164 HydrophobicContact CB-CB 4.2Å; M160-D164 HydrophobicContact CE-CB 3.99Å; M160-M165 HydrophobicContact CB-CG 4.09Å; M160-K168 HydrophobicContact CE-CD 4.07Å; M160-K168 HydrophobicContact SD-CD 4.39Å
161T91.1Very high89.8Confident68 Ų6857.2 Ų57.242%0.41732%0.321SS..  trans-78.8165.5168.669.90000110.7K163 D164 M165T161-K163 PolarHBondContact O-N 2.95Å; T161-D164 WeakPolarHBondContact CB-OD2 3.5Å; T161-D164 PolarHBondContact N-OD2 3.14Å; T161-D164 PolarHBondContact O-N 3.3Å; T161-D164 VanDerWaalsContact O-N 3.15Å; T161-D164 PolarHBondContact OG1-N 2.72Å; T161-D164 PolarHBondContact OG1-OD2 3Å; T161-M165 PolarHBondContact O-N 2.97Å; T161-M165 VanDerWaalsContact O-N 3.13Å
162A89.2Confident89.8Confident14 Ų1461.4 Ų61.412%0.11634%0.338CS..Hα-helixtrans-56.7-36.7173.700000112E140 A144 M165 Y166E140-A162 HydrophobicContact CB-CB 4.44Å; A144-A162 HydrophobicContact CB-CB 3.9Å; A162-M165 PolarHBondContact O-N 3.37Å; A162-Y166 WeakPolarHBondContact O-CD2 3.29Å; A162-Y166 PolarHBondContact O-N 2.86Å
163K91.6Very high89.7Confident66 Ų6662 Ų6229%0.28734%0.341SS..Hα-helixtrans-60.9-49.2175.1-174.9173.1177.9166.90111.3T161 M165 Y166 V167 G179 E181 L186T161-K163 PolarHBondContact O-N 2.95Å; K163-M165 VanDerWaalsContact C-N 3.28Å; K163-M165 PolarHBondContact O-N 3.35Å; K163-Y166 PolarHBondContact O-N 2.81Å; K163-Y166 VanDerWaalsContact O-N 3.14Å; K163-V167 HydrophobicContact CG-CG2 4.28Å; K163-V167 VanDerWaalsContact O-CG2 3.3Å; K163-V167 WeakPolarHBondContact O-CG2 3.36Å; K163-V167 PolarHBondContact O-N 2.89Å; K163-G179 PolarHBondContact NZ-O 3.44Å; K163-E181 WeakPolarHBondContact CE-O 3.26Å; K163-E181 PolarHBondContact NZ-O 3.44Å; K163-E181 VanDerWaalsContact NZ-O 3.17Å; K163-L186 HydrophobicContact CD-CD1 4.46Å; K163-L186 HydrophobicContact CG-CD1 3.64Å
164D90.9Very high89.7Confident65 Ų6563.5 Ų63.535%0.34836%0.358SS..Hα-helixtrans-62.9-36.1-177.9-55-39.5000112.2M160 T161 V167 K168M160-D164 HydrophobicContact CB-CB 4.2Å; M160-D164 HydrophobicContact CE-CB 3.99Å; T161-D164 WeakPolarHBondContact CB-OD2 3.5Å; T161-D164 PolarHBondContact N-OD2 3.14Å; T161-D164 PolarHBondContact O-N 3.3Å; T161-D164 VanDerWaalsContact O-N 3.15Å; T161-D164 PolarHBondContact OG1-N 2.72Å; T161-D164 PolarHBondContact OG1-OD2 3Å; D164-V167 PolarHBondContact O-N 2.86Å; D164-K168 VanDerWaalsContact O-CB 3.32Å; D164-K168 WeakPolarHBondContact O-CB 3.36Å; D164-K168 PolarHBondContact O-N 2.85Å
165M91.2Very high89.6Confident2 Ų258.1 Ų58.11%0.0133%0.33CS..Hα-helixtrans-62.8-43.6175.2-68.7-169.2-91.500111.9K141 A144 Y145 F155 P157 M160 T161 A162 K163 A169K141-M165 HydrophobicContact CB-CE 3.82Å; K141-M165 HydrophobicContact CG-CE 3.98Å; K141-M165 VanDerWaalsContact O-CE 3.29Å; K141-M165 WeakPolarHBondContact O-CE 3.39Å; A144-M165 HydrophobicContact CB-CB 4.14Å; A144-M165 HydrophobicContact CB-CE 4.06Å; Y145-M165 HydrophobicContact CD2-SD 4.24Å; F155-M165 HydrophobicContact CE2-CG 3.84Å; F155-M165 HydrophobicContact CE2-SD 4.1Å; F155-M165 HydrophobicContact CZ-CB 4.13Å; F155-M165 HydrophobicContact CZ-CG 3.83Å; F155-M165 HydrophobicContact CZ-SD 3.89Å; P157-M165 HydrophobicContact CB-SD 3.78Å; M160-M165 HydrophobicContact CB-CG 4.09Å; T161-M165 PolarHBondContact O-N 2.97Å; T161-M165 VanDerWaalsContact O-N 3.13Å; A162-M165 PolarHBondContact O-N 3.37Å; K163-M165 VanDerWaalsContact C-N 3.28Å; K163-M165 PolarHBondContact O-N 3.35Å; M165-A169 PolarHBondContact O-N 3.16Å; M165-A169 VanDerWaalsContact O-N 3.16Å
166Y92.7Very high89.2Confident23 Ų2365.8 Ų65.89%0.0937%0.366CS..Hα-helixtrans-68.2-42.9175.8-67.8-58.4000112.8A144 A147 A162 K163 K168 A169 L170 L186 L190A144-Y166 WeakPolarHBondContact CA-OH 3.23Å; A144-Y166 HydrophobicContact CB-CD2 4.13Å; A144-Y166 HydrophobicContact CB-CE1 4.03Å; A144-Y166 HydrophobicContact CB-CE2 3.57Å; A147-Y166 HydrophobicContact CB-CE1 3.94Å; A162-Y166 WeakPolarHBondContact O-CD2 3.29Å; A162-Y166 PolarHBondContact O-N 2.86Å; K163-Y166 PolarHBondContact O-N 2.81Å; K163-Y166 VanDerWaalsContact O-N 3.14Å; Y166-K168 VanDerWaalsContact C-N 3.3Å; Y166-K168 PolarHBondContact O-N 3.47Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-A169 VanDerWaalsContact O-N 3.16Å; Y166-L170 WeakPolarHBondContact O-CG 3.33Å; Y166-L170 PolarHBondContact O-N 3.34Å; Y166-L186 HydrophobicContact CD2-CB 4.31Å; Y166-L186 HydrophobicContact CG-CB 4.14Å; Y166-L190 HydrophobicContact CD1-CD2 3.79Å; Y166-L190 HydrophobicContact CE1-CD2 4.22Å
167V91.9Very high88.9Confident35 Ų3561.9 Ų61.921%0.21235%0.345CS..Hα-helixtrans-57.4-46.3176.4169.80000110.1K163 D164 A169 L170 N171 L177 L186K163-V167 HydrophobicContact CG-CG2 4.28Å; K163-V167 VanDerWaalsContact O-CG2 3.3Å; K163-V167 WeakPolarHBondContact O-CG2 3.36Å; K163-V167 PolarHBondContact O-N 2.89Å; D164-V167 PolarHBondContact O-N 2.86Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.44Å; V167-L170 PolarHBondContact O-N 3.44Å; V167-N171 WeakPolarHBondContact O-CB 3.38Å; V167-N171 PolarHBondContact O-N 3.47Å; V167-N171 PolarHBondContact O-ND2 2.77Å; V167-L177 HydrophobicContact CB-CD1 4.07Å; V167-L177 HydrophobicContact CG1-CD1 3.99Å; V167-L177 HydrophobicContact CG2-CD1 3.93Å; V167-L186 HydrophobicContact CG2-CD1 3.99Å; V167-L186 HydrophobicContact CG2-CD2 4.44Å
168K89.9Confident88.5Confident84 Ų8466.2 Ų66.237%0.36537%0.365SS..Hα-helixtrans-58.8-43177-165.7-178.9-174.5176.10111.9I152 F155 M160 D164 Y166 H172I152-K168 HydrophobicContact CD1-CB 4.26Å; I152-K168 HydrophobicContact CD1-CD 4.38Å; I152-K168 HydrophobicContact CD1-CG 3.95Å; F155-K168 HydrophobicContact CD2-CD 4.41Å; M160-K168 HydrophobicContact CE-CD 4.07Å; M160-K168 HydrophobicContact SD-CD 4.39Å; D164-K168 VanDerWaalsContact O-CB 3.32Å; D164-K168 WeakPolarHBondContact O-CB 3.36Å; D164-K168 PolarHBondContact O-N 2.85Å; Y166-K168 VanDerWaalsContact C-N 3.3Å; Y166-K168 PolarHBondContact O-N 3.47Å; K168-H172 PolarHBondContact O-N 3.24Å; K168-H172 VanDerWaalsContact O-N 3.1Å
169A90.9Very high88.1Confident0 Ų059.8 Ų59.80%035%0.35CS..Hα-helixtrans-66.9-40.4178.900000113.2A148 I152 M165 Y166 V167 H172 L173 L190A148-A169 HydrophobicContact CB-CB 3.82Å; I152-A169 HydrophobicContact CD1-CB 3.8Å; I152-A169 HydrophobicContact CG1-CB 4.2Å; M165-A169 PolarHBondContact O-N 3.16Å; M165-A169 VanDerWaalsContact O-N 3.16Å; Y166-A169 PolarHBondContact O-N 3.38Å; Y166-A169 VanDerWaalsContact O-N 3.16Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.44Å; A169-H172 WeakPolarHBondContact O-CB 3.17Å; A169-H172 PolarHBondContact O-N 2.94Å; A169-L173 PolarHBondContact O-N 2.92Å; A169-L190 HydrophobicContact CB-CD1 3.58Å; A169-L190 HydrophobicContact CB-CD2 3.87Å; A169-L190 HydrophobicContact CB-CG 4.4Å
170L91Very high87.8Confident0 Ų065.4 Ų65.40%035%0.353CS..Hα-helixtrans-71.1-39.1177.5-75.4167.1000112.4Y166 V167 H172 L173 G174 V175 L177 L186 M189 L190Y166-L170 WeakPolarHBondContact O-CG 3.33Å; Y166-L170 PolarHBondContact O-N 3.34Å; V167-L170 PolarHBondContact O-N 3.44Å; L170-H172 VanDerWaalsContact C-N 3.26Å; L170-H172 PolarHBondContact O-N 3.3Å; L170-L173 CarbonylContact O-C 3.5Å; L170-L173 WeakPolarHBondContact O-CA 3.28Å; L170-L173 WeakPolarHBondContact O-CB 3.34Å; L170-L173 PolarHBondContact O-N 3.38Å; L170-G174 PolarHBondContact O-N 3.09Å; L170-V175 HydrophobicContact CB-CB 4.3Å; L170-V175 HydrophobicContact CD2-CB 4.36Å; L170-V175 HydrophobicContact CD2-CG2 4.26Å; L170-V175 PolarHBondContact O-N 2.9Å; L170-L177 HydrophobicContact CB-CD1 3.81Å; L170-L177 HydrophobicContact CB-CG 4.46Å; L170-L177 HydrophobicContact CD1-CD1 3.95Å; L170-L177 HydrophobicContact CD1-CD2 4.09Å; L170-L186 HydrophobicContact CD1-CB 4.23Å; L170-L186 HydrophobicContact CD1-CD2 3.62Å; L170-M189 HydrophobicContact CD1-CB 4.11Å; L170-M189 HydrophobicContact CD2-CB 4.02Å; L170-L190 HydrophobicContact CD2-CB 4.25Å; L170-L190 HydrophobicContact CD2-CD1 4.26Å; L170-L190 HydrophobicContact CG-CB 4.4Å; L170-L190 HydrophobicContact CG-CD1 4.33Å
171N90.1Very high87.7Confident92 Ų9264.4 Ų64.449%0.49235%0.347SS..Hα-helixtrans-60.6-38172.5-72-14.4000111.4V167 L173 G174V167-N171 WeakPolarHBondContact O-CB 3.38Å; V167-N171 PolarHBondContact O-N 3.47Å; V167-N171 PolarHBondContact O-ND2 2.77Å; N171-L173 PolarHBondContact O-N 3.49Å; N171-G174 PolarHBondContact O-N 2.93Å
172H87.7Confident87.5Confident121 Ų12163.3 Ų63.356%0.5634%0.343SS*.Hα-helixtrans-65.3-28.5174.4-171.2-80.3000112.7I152 K168 A169 L170 G174I152-H172 HydrophobicContact CD1-CB 4.46Å; I152-H172 HydrophobicContact CG1-CB 3.86Å; K168-H172 PolarHBondContact O-N 3.24Å; K168-H172 VanDerWaalsContact O-N 3.1Å; A169-H172 WeakPolarHBondContact O-CB 3.17Å; A169-H172 PolarHBondContact O-N 2.94Å; L170-H172 VanDerWaalsContact C-N 3.26Å; L170-H172 PolarHBondContact O-N 3.3Å; H172-G174 VanDerWaalsContact C-N 3.27Å
173L86.9Confident87.4Confident56 Ų5665.7 Ų65.729%0.29336%0.357SS..THydrogen-bonded Turntrans-82.8-1.3173-67.8170.8000113.3V151 A169 L170 N171 V175 L190 C193V151-L173 HydrophobicContact CG1-CD1 3.81Å; V151-L173 HydrophobicContact CG1-CD2 3.62Å; V151-L173 HydrophobicContact CG1-CG 3.58Å; V151-L173 HydrophobicContact CG2-CD1 4.42Å; A169-L173 PolarHBondContact O-N 2.92Å; L170-L173 CarbonylContact O-C 3.5Å; L170-L173 WeakPolarHBondContact O-CA 3.28Å; L170-L173 WeakPolarHBondContact O-CB 3.34Å; L170-L173 PolarHBondContact O-N 3.38Å; N171-L173 PolarHBondContact O-N 3.49Å; L173-V175 HydrophobicContact CB-CG2 4.36Å; L173-L190 HydrophobicContact CD1-CD1 3.79Å; L173-C193 HydrophobicContact CD1-CB 3.59Å
174G86.4Confident87.2Confident64 Ų6465.8 Ų65.866%0.6637%0.37SS*.THydrogen-bonded Turntrans77.221.2-178.700000114.4L170 N171 H172L170-G174 PolarHBondContact O-N 3.09Å; N171-G174 PolarHBondContact O-N 2.93Å; H172-G174 VanDerWaalsContact C-N 3.27Å
175V86.5Confident87.2Confident36 Ų3667.7 Ų67.722%0.21838%0.377CS..  trans-88.6119.5176.1-177.90000109.4L170 L173 L177 M189L170-V175 HydrophobicContact CB-CB 4.3Å; L170-V175 HydrophobicContact CD2-CB 4.36Å; L170-V175 HydrophobicContact CD2-CG2 4.26Å; L170-V175 PolarHBondContact O-N 2.9Å; L173-V175 HydrophobicContact CB-CG2 4.36Å; V175-L177 HydrophobicContact CG1-CD2 4.29Å; V175-M189 HydrophobicContact CG1-CE 3.86Å
176E83.3Confident87.2Confident185 Ų18567.6 Ų67.686%0.86438%0.376SS*.  trans-74.3129.1174-64.8-178.1173.600110.5
177L83.8Confident87.1Confident35 Ų3567.8 Ų67.818%0.18338%0.381CS..  trans-115.9140.1-178.4-64.4172.4000110.6V167 L170 V175 L186 M189V167-L177 HydrophobicContact CB-CD1 4.07Å; V167-L177 HydrophobicContact CG1-CD1 3.99Å; V167-L177 HydrophobicContact CG2-CD1 3.93Å; L170-L177 HydrophobicContact CB-CD1 3.81Å; L170-L177 HydrophobicContact CB-CG 4.46Å; L170-L177 HydrophobicContact CD1-CD1 3.95Å; L170-L177 HydrophobicContact CD1-CD2 4.09Å; V175-L177 HydrophobicContact CG1-CD2 4.29Å; L177-L186 HydrophobicContact CD1-CD2 3.81Å; L177-L186 HydrophobicContact CD2-CD2 3.77Å; L177-L186 HydrophobicContact CG-CD2 4.42Å; L177-M189 HydrophobicContact CD2-CE 3.84Å; L177-M189 HydrophobicContact CD2-SD 4.36Å
178N78.9Confident87Confident139 Ų13968.8 Ų68.874%0.74339%0.393SS*.  trans-92-1.3-178.2-67.4-52.7000112.9K180 E181N178-K180 PolarHBondContact O-N 2.85Å; N178-E181 PolarHBondContact N-OE1 3.33Å
179G79.2Confident87Confident45 Ų4567.7 Ų67.746%0.46439%0.39SS..SBendtrans77.5-5.1176.800000114.5K163 E181K163-G179 PolarHBondContact NZ-O 3.44Å; G179-E181 WeakPolarHBondContact CA-OE2 3.48Å; G179-E181 PolarHBondContact N-OE2 3.29Å
180K83.7Confident87Confident194 Ų19468 Ų6884%0.84339%0.391SS*.  trans-88-11.4179.3-63.7-176.4-179.2-1780113N178N178-K180 PolarHBondContact O-N 2.85Å
181E84.8Confident86.9Confident28 Ų2874.8 Ų74.813%0.13142%0.421CS..  trans-68.6139.3-175-54.981.7-179.400110.8K163 N178 G179 E185 L186K163-E181 WeakPolarHBondContact CE-O 3.26Å; K163-E181 PolarHBondContact NZ-O 3.44Å; K163-E181 VanDerWaalsContact NZ-O 3.17Å; N178-E181 PolarHBondContact N-OE1 3.33Å; G179-E181 WeakPolarHBondContact CA-OE2 3.48Å; G179-E181 PolarHBondContact N-OE2 3.29Å; E181-E185 WeakPolarHBondContact CA-OE2 3.33Å; E181-E185 HydrophobicContact CB-CB 4.47Å; E181-L186 HydrophobicContact CB-CD1 4.44Å; E181-L186 HydrophobicContact CB-CD2 3.75Å; E181-L186 HydrophobicContact CB-CG 3.8Å; E181-L186 HydrophobicContact CG-CD2 4.26Å
182S87.7Confident86.8Confident45 Ų4572.7 Ų72.732%0.31542%0.417SS..  trans-74.4157173.467.80000111A184 E185 L186S182-A184 PolarHBondContact O-N 3.02Å; S182-E185 PolarHBondContact N-OE2 3.33Å; S182-E185 PolarHBondContact O-N 2.98Å; S182-E185 VanDerWaalsContact OG-CD 3.24Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.49Å; S182-E185 PolarHBondContact OG-N 3.46Å; S182-E185 PolarHBondContact OG-OE2 3.29Å; S182-L186 WeakPolarHBondContact O-CG 3.46Å; S182-L186 PolarHBondContact O-N 3.43Å
183P85.9Confident86.6Confident65 Ų6568.5 Ų68.542%0.42240%0.4SS..Hα-helixtrans-56.9-33.6176.9-24.133.3000113.4S187P183-S187 WeakPolarHBondContact O-CB 3.41Å; P183-S187 PolarHBondContact O-N 2.9Å
184A89.1Confident86.3Confident68 Ų6868 Ų6856%0.56240%0.402SS*.Hα-helixtrans-66.6-46.117800000111.7S182 S187 A188S182-A184 PolarHBondContact O-N 3.02Å; A184-S187 PolarHBondContact O-N 2.7Å; A184-S187 PolarHBondContact O-OG 3.16Å; A184-A188 PolarHBondContact O-N 3.29Å
185E90.4Very high86Confident104 Ų10467.3 Ų67.349%0.48639%0.387SS..Hα-helixtrans-61.7-47.7176.4-72163.6159.600111.2E181 S182 S187 A188 M189E181-E185 WeakPolarHBondContact CA-OE2 3.33Å; E181-E185 HydrophobicContact CB-CB 4.47Å; S182-E185 PolarHBondContact N-OE2 3.33Å; S182-E185 PolarHBondContact O-N 2.98Å; S182-E185 VanDerWaalsContact OG-CD 3.24Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.49Å; S182-E185 PolarHBondContact OG-N 3.46Å; S182-E185 PolarHBondContact OG-OE2 3.29Å; E185-S187 VanDerWaalsContact C-N 3.27Å; E185-S187 PolarHBondContact O-N 2.9Å; E185-A188 WeakPolarHBondContact O-CB 3.29Å; E185-A188 PolarHBondContact O-N 3.04Å; E185-M189 VanDerWaalsContact O-CG 3.3Å; E185-M189 WeakPolarHBondContact O-CG 3.46Å; E185-M189 PolarHBondContact O-N 2.72Å
186L91.6Very high85.1Confident0 Ų070.7 Ų70.70%040%0.403CS..Hα-helixtrans-59.1-40.1177.6-67.2170000111.9K163 Y166 V167 L170 L177 E181 S182 A188 M189 L190K163-L186 HydrophobicContact CD-CD1 4.46Å; K163-L186 HydrophobicContact CG-CD1 3.64Å; Y166-L186 HydrophobicContact CD2-CB 4.31Å; Y166-L186 HydrophobicContact CG-CB 4.14Å; V167-L186 HydrophobicContact CG2-CD1 3.99Å; V167-L186 HydrophobicContact CG2-CD2 4.44Å; L170-L186 HydrophobicContact CD1-CB 4.23Å; L170-L186 HydrophobicContact CD1-CD2 3.62Å; L177-L186 HydrophobicContact CD1-CD2 3.81Å; L177-L186 HydrophobicContact CD2-CD2 3.77Å; L177-L186 HydrophobicContact CG-CD2 4.42Å; E181-L186 HydrophobicContact CB-CD1 4.44Å; E181-L186 HydrophobicContact CB-CD2 3.75Å; E181-L186 HydrophobicContact CB-CG 3.8Å; E181-L186 HydrophobicContact CG-CD2 4.26Å; S182-L186 WeakPolarHBondContact O-CG 3.46Å; S182-L186 PolarHBondContact O-N 3.43Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.36Å; L186-M189 PolarHBondContact O-N 2.96Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 PolarHBondContact O-N 2.83Å
187S89.9Confident83.9Confident27 Ų2765.9 Ų65.919%0.18939%0.389CS..Hα-helixtrans-65.3-37.217683.90000112.7P183 A184 E185 K191P183-S187 WeakPolarHBondContact O-CB 3.41Å; P183-S187 PolarHBondContact O-N 2.9Å; A184-S187 PolarHBondContact O-N 2.7Å; A184-S187 PolarHBondContact O-OG 3.16Å; E185-S187 VanDerWaalsContact C-N 3.27Å; E185-S187 PolarHBondContact O-N 2.9Å; S187-K191 WeakPolarHBondContact O-CG 3.45Å; S187-K191 PolarHBondContact O-N 3.22Å
188A90.5Very high82.7Confident56 Ų5668.8 Ų68.846%0.46341%0.412SS..Hα-helixtrans-71.6-42.6178.100000111A184 E185 L186 L190 K191 A192A184-A188 PolarHBondContact O-N 3.29Å; E185-A188 WeakPolarHBondContact O-CB 3.29Å; E185-A188 PolarHBondContact O-N 3.04Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.36Å; A188-L190 PolarHBondContact O-N 3.12Å; A188-K191 PolarHBondContact O-N 3.05Å; A188-A192 PolarHBondContact O-N 3.3Å
189M89.6Confident81.6Confident62 Ų6270.2 Ų70.231%0.30541%0.412SS..Hα-helixtrans-58.5-47.3173.5-69.5174.874.600111L170 V175 L177 E185 L186 K191 A192 C193L170-M189 HydrophobicContact CD1-CB 4.11Å; L170-M189 HydrophobicContact CD2-CB 4.02Å; V175-M189 HydrophobicContact CG1-CE 3.86Å; L177-M189 HydrophobicContact CD2-CE 3.84Å; L177-M189 HydrophobicContact CD2-SD 4.36Å; E185-M189 VanDerWaalsContact O-CG 3.3Å; E185-M189 WeakPolarHBondContact O-CG 3.46Å; E185-M189 PolarHBondContact O-N 2.72Å; L186-M189 PolarHBondContact O-N 2.96Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 3.15Å; M189-A192 WeakPolarHBondContact O-CB 3.43Å; M189-A192 PolarHBondContact O-N 2.98Å; M189-A192 VanDerWaalsContact O-N 3.12Å; M189-C193 PolarHBondContact O-N 3.2Å; M189-C193 PolarHBondContact O-SG 2.9Å
190L90.1Very high80.4Confident5 Ų572 Ų723%0.02641%0.414CS..Hα-helixtrans-61.3-39.8179.5-175.365.1000112.1A147 V151 Y166 A169 L170 L173 L186 A188 S194A147-L190 HydrophobicContact CB-CD2 3.96Å; V151-L190 HydrophobicContact CB-CD1 4.49Å; V151-L190 HydrophobicContact CG2-CD1 3.89Å; V151-L190 HydrophobicContact CG2-CG 4.5Å; Y166-L190 HydrophobicContact CD1-CD2 3.79Å; Y166-L190 HydrophobicContact CE1-CD2 4.22Å; A169-L190 HydrophobicContact CB-CD1 3.58Å; A169-L190 HydrophobicContact CB-CD2 3.87Å; A169-L190 HydrophobicContact CB-CG 4.4Å; L170-L190 HydrophobicContact CD2-CB 4.25Å; L170-L190 HydrophobicContact CD2-CD1 4.26Å; L170-L190 HydrophobicContact CG-CB 4.4Å; L170-L190 HydrophobicContact CG-CD1 4.33Å; L173-L190 HydrophobicContact CD1-CD1 3.79Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 PolarHBondContact O-N 2.83Å; A188-L190 PolarHBondContact O-N 3.12Å; L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 2.7Å; L190-S194 PolarHBondContact O-OG 2.69Å
191K89Confident78.8Confident144 Ų14469.3 Ų69.363%0.62641%0.409SS*.Hα-helixtrans-64.5-43173.8-74.5173.9-177.3172.90112S187 A188 M189 S194 S195S187-K191 WeakPolarHBondContact O-CG 3.45Å; S187-K191 PolarHBondContact O-N 3.22Å; A188-K191 PolarHBondContact O-N 3.05Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 3.15Å; K191-S194 WeakPolarHBondContact CA-OG 3.31Å; K191-S194 PolarHBondContact O-OG 3.44Å; K191-S194 VanDerWaalsContact O-OG 3.08Å; K191-S195 WeakPolarHBondContact O-CB 3.02Å; K191-S195 PolarHBondContact O-N 3.49Å; K191-S195 VanDerWaalsContact O-N 3.08Å; K191-S195 PolarHBondContact O-OG 2.94Å
192A87.3Confident77.2Confident48 Ų4875 Ų7540%0.39744%0.44SS..Hα-helixtrans-61.8-50.4177.300000110.8A188 M189 S194 S195 I196A188-A192 PolarHBondContact O-N 3.3Å; M189-A192 WeakPolarHBondContact O-CB 3.43Å; M189-A192 PolarHBondContact O-N 2.98Å; M189-A192 VanDerWaalsContact O-N 3.12Å; A192-S194 PolarHBondContact O-N 2.79Å; A192-S195 PolarHBondContact O-N 3.21Å; A192-S195 PolarHBondContact O-OG 2.82Å; A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3.43Å; A192-I196 VanDerWaalsContact O-N 3.14Å
193C84.6Confident75.7Confident32 Ų3275.4 Ų75.422%0.21645%0.451CS..Hα-helixtrans-65.5-40.8-178.6-61.30000112.9L173 M189 S195 I196 S197L173-C193 HydrophobicContact CD1-CB 3.59Å; M189-C193 PolarHBondContact O-N 3.2Å; M189-C193 PolarHBondContact O-SG 2.9Å; C193-S195 VanDerWaalsContact C-N 3.32Å; C193-S195 PolarHBondContact O-N 2.79Å; C193-I196 PolarHBondContact O-N 3.38Å; C193-S197 PolarHBondContact O-N 3.46Å
194S80.6Confident74Confident46 Ų4679.6 Ų79.632%0.32246%0.463SS..Hα-helixtrans-66.1-33.5176.356.50000112.8L190 K191 A192 I196 S198L190-S194 WeakPolarHBondContact O-CB 3.39Å; L190-S194 PolarHBondContact O-N 2.7Å; L190-S194 PolarHBondContact O-OG 2.69Å; K191-S194 WeakPolarHBondContact CA-OG 3.31Å; K191-S194 PolarHBondContact O-OG 3.44Å; K191-S194 VanDerWaalsContact O-OG 3.08Å; A192-S194 PolarHBondContact O-N 2.79Å; S194-I196 VanDerWaalsContact C-N 3.32Å; S194-I196 PolarHBondContact O-N 3.1Å; S194-S198 PolarHBondContact O-N 3.43Å; S194-S198 PolarHBondContact O-OG 3.3Å
195S78.8Confident72.3Confident50 Ų5080.9 Ų80.935%0.3547%0.468SS..Hα-helixtrans-69.5-28.617479.60000113.6K191 A192 C193 S198 K199K191-S195 WeakPolarHBondContact O-CB 3.02Å; K191-S195 PolarHBondContact O-N 3.49Å; K191-S195 VanDerWaalsContact O-N 3.08Å; K191-S195 PolarHBondContact O-OG 2.94Å; A192-S195 PolarHBondContact O-N 3.21Å; A192-S195 PolarHBondContact O-OG 2.82Å; C193-S195 VanDerWaalsContact C-N 3.32Å; C193-S195 PolarHBondContact O-N 2.79Å; S195-S198 PolarHBondContact O-OG 2.97Å; S195-K199 WeakPolarHBondContact O-CG 3.46Å
196I68.9Low70.6Confident107 Ų10785.2 Ų85.255%0.54948%0.481SS..Hα-helixtrans-75.7-46.1177.1-66.7162.7000109.3A192 C193 S194 S198 K199 V200A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3.43Å; A192-I196 VanDerWaalsContact O-N 3.14Å; C193-I196 PolarHBondContact O-N 3.38Å; S194-I196 VanDerWaalsContact C-N 3.32Å; S194-I196 PolarHBondContact O-N 3.1Å; I196-S198 PolarHBondContact O-N 3.07Å; I196-S198 VanDerWaalsContact O-N 3.17Å; I196-K199 PolarHBondContact O-N 3.43Å; I196-K199 VanDerWaalsContact O-N 3.07Å; I196-V200 PolarHBondContact O-N 3.24Å
197S58.7Low68.5Low84 Ų8491.9 Ų91.959%0.58752%0.517SS*.Hα-helixtrans-61.5-26.6-179.2-168.60000113.8C193C193-S197 PolarHBondContact O-N 3.46Å
198S57.2Low66.5Low95 Ų9599.4 Ų99.466%0.66454%0.543SS*.THydrogen-bonded Turntrans-85.8-14.8178.4460000114S194 S195 I196S194-S198 PolarHBondContact O-N 3.43Å; S194-S198 PolarHBondContact O-OG 3.3Å; S195-S198 PolarHBondContact O-OG 2.97Å; I196-S198 PolarHBondContact O-N 3.07Å; I196-S198 VanDerWaalsContact O-N 3.17Å
199K56.9Low64.6Low170 Ų170100.9 Ų100.974%0.73955%0.549SS*.THydrogen-bonded Turntrans-97-11.8179.9-72.7178.4-177.9176.80113.9S195 I196 D201S195-K199 WeakPolarHBondContact O-CG 3.46Å; I196-K199 PolarHBondContact O-N 3.43Å; I196-K199 VanDerWaalsContact O-N 3.07Å; K199-D201 PolarHBondContact O-N 3.19Å
200V52.9Low62.7Low83 Ų83105.9 Ų105.950%0.50357%0.572SS.*  trans-82.976.1172-171.20000107.9I196 N202I196-V200 PolarHBondContact O-N 3.24Å; V200-N202 WeakPolarHBondContact CG1-OD1 3.28Å; V200-N202 PolarHBondContact O-N 3.07Å
201D49.5Very low60.8Low137 Ų137110.9 Ų110.973%0.73360%0.603SS**  trans-68.690.4159.9-168.6-2.3000106.7K199 G203K199-D201 PolarHBondContact O-N 3.19Å; D201-G203 PolarHBondContact O-N 3.36Å; D201-G203 WeakPolarHBondContact OD1-CA 3.44Å; D201-G203 PolarHBondContact OD1-N 3.26Å
202N53.2Low58.9Low146 Ų146112.8 Ų112.878%0.78161%0.611SS**THydrogen-bonded Turntrans-64.912.9169.1-80.8-28.9000112.1V200 F204V200-N202 WeakPolarHBondContact CG1-OD1 3.28Å; V200-N202 PolarHBondContact O-N 3.07Å; N202-F204 PolarHBondContact O-N 3.11Å
203G55.2Low57.3Low54 Ų54118.3 Ų118.356%0.55763%0.629SS**THydrogen-bonded Turntrans-71.213.2165.400000115.5D201 S205D201-G203 PolarHBondContact O-N 3.36Å; D201-G203 WeakPolarHBondContact OD1-CA 3.44Å; D201-G203 PolarHBondContact OD1-N 3.26Å; G203-S205 PolarHBondContact O-N 3.45Å
204F51.2Low55.9Low154 Ų154123.9 Ų123.968%0.67565%0.651SS**  trans-75.678.1159.6-157.4-82.9000109.1N202 Y206N202-F204 PolarHBondContact O-N 3.11Å; F204-Y206 AromaticContact CD1-CD2 3.7Å; F204-Y206 HydrophobicContact CD1-CD2 3.7Å; F204-Y206 AromaticContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CG 4.43Å; F204-Y206 HydrophobicContact CE1-CD1 4.4Å; F204-Y206 AromaticContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CE1 4.3Å; F204-Y206 AromaticContact CE1-CE2 3.27Å; F204-Y206 HydrophobicContact CE1-CE2 3.27Å; F204-Y206 AromaticContact CE1-CG 3.97Å; F204-Y206 HydrophobicContact CE1-CG 3.97Å; F204-Y206 AromaticContact CE1-CZ 3.75Å; F204-Y206 HydrophobicContact CZ-CE2 4.24Å; F204-Y206 PolarHBondContact O-N 3.3Å
205S52.9Low55.1Low94 Ų94129.4 Ų129.466%0.65767%0.67SS**  trans-73116.3164.268.20000108.3G203 D207G203-S205 PolarHBondContact O-N 3.45Å; S205-D207 PolarHBondContact O-N 3.09Å
206Y54.7Low53.9Low196 Ų196133.9 Ų133.977%0.76969%0.69SS**  trans-72.363.3156-98.6-78.2000108.1F204 Y208F204-Y206 AromaticContact CD1-CD2 3.7Å; F204-Y206 HydrophobicContact CD1-CD2 3.7Å; F204-Y206 AromaticContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CE2 3.9Å; F204-Y206 HydrophobicContact CD1-CG 4.43Å; F204-Y206 HydrophobicContact CE1-CD1 4.4Å; F204-Y206 AromaticContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CD2 3.39Å; F204-Y206 HydrophobicContact CE1-CE1 4.3Å; F204-Y206 AromaticContact CE1-CE2 3.27Å; F204-Y206 HydrophobicContact CE1-CE2 3.27Å; F204-Y206 AromaticContact CE1-CG 3.97Å; F204-Y206 HydrophobicContact CE1-CG 3.97Å; F204-Y206 AromaticContact CE1-CZ 3.75Å; F204-Y206 HydrophobicContact CZ-CE2 4.24Å; F204-Y206 PolarHBondContact O-N 3.3Å; Y206-Y208 PolarHBondContact O-N 3.47Å
207D47.6Very low53.5Low140 Ų140137.2 Ų137.275%0.74970%0.7SS**  trans-87.382.6160.6-135.7-3.4000106.3S205 S209S205-D207 PolarHBondContact O-N 3.09Å; D207-S209 PolarHBondContact O-N 3.3Å
208Y47.5Very low53.6Low185 Ų185141.1 Ų141.173%0.72572%0.715SS**  trans-66.379.4170.3-170-94000107.4Y206 E210Y206-Y208 PolarHBondContact O-N 3.47Å; Y208-E210 HydrophobicContact CD1-CG 3.98Å; Y208-E210 HydrophobicContact CE1-CG 3.61Å; Y208-E210 PolarHBondContact O-N 3.21Å
209S50.2Low53.8Low87 Ų87147.9 Ų147.961%0.60874%0.741SS**  trans-73.9111.9164.362.10000107.2D207 T211D207-S209 PolarHBondContact O-N 3.3Å; S209-T211 PolarHBondContact O-N 2.78Å
210E49.4Very low53.6Low167 Ų167146.8 Ų146.878%0.7874%0.741SS**  trans-6379168.1-75-175.915100109.6Y208Y208-E210 HydrophobicContact CD1-CG 3.98Å; Y208-E210 HydrophobicContact CE1-CG 3.61Å; Y208-E210 PolarHBondContact O-N 3.21Å
211T50.6Low53.7Low109 Ų109150.1 Ų150.167%0.66975%0.754SS**  trans-115.191.8160.146.50000106.9S209 E213S209-T211 PolarHBondContact O-N 2.78Å; T211-E213 VanDerWaalsContact C-N 3.27Å; T211-E213 PolarHBondContact O-N 3.2Å
212K48.1Very low53.9Low184 Ų184150.8 Ų150.880%0.876%0.755SS**  trans-59.889.9168.1-74.7-176.5175.8-175.60109E214K212-E214 PolarHBondContact O-N 3.4Å
213E54Low53.9Low165 Ų165151.1 Ų151.177%0.77175%0.753SS**  trans-90.187.5156-73-166.2167.700108T211 K215T211-E213 VanDerWaalsContact C-N 3.27Å; T211-E213 PolarHBondContact O-N 3.2Å; E213-K215 PolarHBondContact O-N 3.2Å
214E55.6Low53.8Low148 Ų148157.2 Ų157.269%0.69277%0.766SS**  trans-63.5102.6167.6-70.6-179.5178.100109K212 N216K212-E214 PolarHBondContact O-N 3.4Å; E214-N216 PolarHBondContact O-N 3.28Å
215K63.4Low54Low163 Ų163157.4 Ų157.471%0.70977%0.772SS**  trans-79.499.4164.8-74.1-178.2-178.8172.90108.6E213 F217E213-K215 PolarHBondContact O-N 3.2Å; K215-F217 HydrophobicContact CB-CE2 4.05Å; K215-F217 PolarHBondContact O-N 3.21Å
216N55Low54.1Low144 Ų144161.9 Ų161.977%0.7778%0.78SS**  trans-64.4118.3166.7-75.3-56.7000109.6E214E214-N216 PolarHBondContact O-N 3.28Å
217F60.6Low54.1Low176 Ų176159.3 Ų159.377%0.77278%0.781SS**  trans-103.2112.9162.2-72.6-84.5000107.8K215 I219K215-F217 HydrophobicContact CB-CE2 4.05Å; K215-F217 PolarHBondContact O-N 3.21Å; F217-I219 PolarHBondContact O-N 3.07Å
218N59.1Low54.6Low167 Ų167160.9 Ų160.989%0.89378%0.783SS**  trans-69.8120.7166.1-85.5-6.5000108.5
219I61.7Low55.2Low236 Ų236158.7 Ų158.7100%1.2179%0.789SS**  trans-93.80157.3-60.6175.6000107.4F217F217-I219 PolarHBondContact O-N 3.07Å

Retrieved 219 of 219 residues in 719.2 ms (Link to these results)