A0A093H9U9_STRCA Loading...

Transmembrane protein 230

Involved in trafficking and recycling of synaptic vesicles.

AlphaFold DB , UniProt , Accession A0A093H9U9, Species STRCA (Struthio camelus australis), Gene n/a, Length 120 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
1M43.5Very low47.6Very low251 Ų251147.8 Ų147.8100%1.23686%0.862SS**  0117.30-82.5157.215200107.8
2M38.9Very low48.8Very low185 Ų185148.3 Ų148.391%0.91186%0.856SS**  trans-119138.9-177.5-126.2170.6120.500107.8
3P46.9Very low49.1Very low118 Ų118146.3 Ų146.377%0.76685%0.851SS**  trans-81.5131.6-178.731.3-29.2000110.6
4S44.4Very low50Low119 Ų119143.8 Ų143.883%0.83285%0.845SS**  trans-61.5130.8174.6-62.30000111.4
5R49.7Very low51Low237 Ų237140.2 Ų140.289%0.89483%0.831SS**  trans-85.5111.8168.6-68.4-158.1169.2-162.4-3.1109.6N7R5-N7 PolarHBondContact O-N 3.36Å
6T48.8Very low51.9Low127 Ų127144.1 Ų144.178%0.77983%0.834SS**  trans-71.4110168.534.70000110L8T6-L8 PolarHBondContact O-N 3.38Å
7N51Low53Low159 Ų159140.2 Ų140.285%0.8581%0.813SS**  trans-78.9104.3166.4-76.5-50.7000109R5 A9R5-N7 PolarHBondContact O-N 3.36Å; N7-A9 PolarHBondContact O-N 3.31Å
8L47.8Very low54Low165 Ų165143.4 Ų143.486%0.86482%0.816SS**  trans-83.790.1164.8-81.2153.3000107.8T6 A10T6-L8 PolarHBondContact O-N 3.38Å; L8-A10 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact O-N 3.1Å
9A48.8Very low54.9Low97 Ų97146.1 Ų146.180%0.80281%0.813SS**  trans-68.3103.5164.500000107.5N7 G11N7-A9 PolarHBondContact O-N 3.31Å; A9-G11 PolarHBondContact O-N 3.06Å
10A52.8Low56Low93 Ų93144.2 Ų144.277%0.76981%0.81SS**  trans-55.3112.9170.200000108.4L8 I12L8-A10 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact O-N 3.1Å; A10-I12 PolarHBondContact O-N 3.11Å; A10-I12 VanDerWaalsContact O-N 3.11Å
11G51Low56.8Low75 Ų75146.4 Ų146.477%0.77381%0.811SS**  trans-58.8114.5179.700000110.2A9A9-G11 PolarHBondContact O-N 3.06Å
12I61.4Low58Low154 Ų154142 Ų14279%0.7979%0.792SS**  trans-59.1123.7167.3-64162.6000106.6A10 S14A10-I12 PolarHBondContact O-N 3.11Å; A10-I12 VanDerWaalsContact O-N 3.11Å; I12-S14 PolarHBondContact O-N 2.88Å
13P53.7Low59.4Low122 Ų122137.3 Ų137.379%0.79278%0.777SS**  trans-65.4102.9177.525.7-31.2000108.5S15P13-S15 PolarHBondContact O-N 2.95Å
14S61.2Low60.3Low111 Ų111137.1 Ų137.178%0.77678%0.778SS**  trans-68.293.8173.8176.40000108.4I12 K16I12-S14 PolarHBondContact O-N 2.88Å; S14-K16 PolarHBondContact O-N 2.82Å
15S65Low61.4Low90 Ų90136.3 Ų136.363%0.62977%0.768SS**  trans-51.6116.4169550000108.7P13 V17P13-S15 PolarHBondContact O-N 2.95Å; S15-V17 PolarHBondContact O-N 3.05Å
16K65.6Low62.1Low202 Ų202131.8 Ų131.888%0.87876%0.762SS**  trans-76.445-174.5-151.3-167.9-161-177.90111.9S14 K18S14-K16 PolarHBondContact O-N 2.82Å; K16-K18 PolarHBondContact O-N 3.25Å
17V71.1Confident63Low79 Ų79131 Ų13148%0.47975%0.753SS.*  trans-77.4107.8173.1-174.20000106.4S15 Y19S15-V17 PolarHBondContact O-N 3.05Å; V17-Y19 VanDerWaalsContact C-N 3.35Å; V17-Y19 HydrophobicContact CB-CD2 4.18Å; V17-Y19 HydrophobicContact CB-CE1 4.45Å; V17-Y19 HydrophobicContact CB-CE2 3.53Å; V17-Y19 HydrophobicContact CG1-CD1 4.14Å; V17-Y19 HydrophobicContact CG1-CD2 4.12Å; V17-Y19 HydrophobicContact CG1-CE1 3.61Å; V17-Y19 HydrophobicContact CG1-CE2 3.6Å; V17-Y19 HydrophobicContact CG1-CG 4.37Å; V17-Y19 WeakPolarHBondContact O-CD2 3.22Å; V17-Y19 PolarHBondContact O-N 3.48Å
18K71.1Confident64Low198 Ų198126.1 Ų126.186%0.86174%0.74SS**  trans-68.494.9173-82.7-175174.7-1760108.1K16 S20K16-K18 PolarHBondContact O-N 3.25Å; K18-S20 PolarHBondContact O-N 2.97Å
19Y70.9Confident64.9Low193 Ų193125 Ų12576%0.75773%0.725SS**  trans-81.5112.2166-60.7-76.8000108.2V17V17-Y19 VanDerWaalsContact C-N 3.35Å; V17-Y19 HydrophobicContact CB-CD2 4.18Å; V17-Y19 HydrophobicContact CB-CE1 4.45Å; V17-Y19 HydrophobicContact CB-CE2 3.53Å; V17-Y19 HydrophobicContact CG1-CD1 4.14Å; V17-Y19 HydrophobicContact CG1-CD2 4.12Å; V17-Y19 HydrophobicContact CG1-CE1 3.61Å; V17-Y19 HydrophobicContact CG1-CE2 3.6Å; V17-Y19 HydrophobicContact CG1-CG 4.37Å; V17-Y19 WeakPolarHBondContact O-CD2 3.22Å; V17-Y19 PolarHBondContact O-N 3.48Å
20S76.1Confident66.1Low109 Ų109125.6 Ų125.676%0.76271%0.714SS**PPolyproline II helixtrans-77.5125.5165.249.50000108.3K18 L22K18-S20 PolarHBondContact O-N 2.97Å; S20-L22 PolarHBondContact O-N 3.48Å
21K72.1Confident67Low190 Ų190127.8 Ų127.883%0.82671%0.713SS**PPolyproline II helixtrans-60.8123.9172.2-164.6-177.2-178.8-177.50107.9S23K21-S23 PolarHBondContact O-N 3.26Å
22L69.3Low67.8Low160 Ų160129.9 Ų129.984%0.83871%0.706SS**PPolyproline II helixtrans-54.5138.2172.4-74.7161.6000108.5S20 S24S20-L22 PolarHBondContact O-N 3.48Å; L22-S24 PolarHBondContact O-N 3.29Å
23S68.3Low68.2Low86 Ų86127 Ų12760%0.60169%0.689SS**PPolyproline II helixtrans-56.1127.9178.746.60000109.3K21 T25K21-S23 PolarHBondContact O-N 3.26Å; S23-T25 PolarHBondContact O-N 3.04Å
24S65.4Low69.1Low113 Ų113128.4 Ų128.479%0.7968%0.683SS**  trans-71.47.5177.6-25.30000113.6L22 D26L22-S24 PolarHBondContact O-N 3.29Å; S24-D26 PolarHBondContact O-N 2.84Å
25T67.3Low69.5Low102 Ų102130.6 Ų130.663%0.62668%0.678SS**SBendtrans-77.1120.8179.3-54.60000107.1S23 D27S23-T25 PolarHBondContact O-N 3.04Å; T25-D27 PolarHBondContact O-N 3.48Å
26D65.9Low69.5Low142 Ų142134.5 Ų134.576%0.75968%0.684SS**  trans-48.3102.1169.1-17840.8000108.4S24 G28S24-D26 PolarHBondContact O-N 2.84Å; D26-G28 PolarHBondContact O-N 3.2Å
27D67.8Low69.4Low111 Ų111129.6 Ų129.659%0.59468%0.675SS**  trans-74.612.4-169.326.1-50.6000111.7T25 Y29T25-D27 PolarHBondContact O-N 3.48Å; D27-Y29 HydrophobicContact CB-CD2 3.69Å; D27-Y29 HydrophobicContact CB-CE2 4.12Å; D27-Y29 WeakPolarHBondContact O-CD2 3.12Å; D27-Y29 PolarHBondContact O-N 2.94Å
28G70.6Confident69.1Low56 Ų56131.4 Ų131.458%0.57769%0.689SS**SBendtrans70.16.3179.700000112.7D26 I30D26-G28 PolarHBondContact O-N 3.2Å; G28-I30 PolarHBondContact O-N 3.18Å
29Y67.6Low68.9Low141 Ų141125.9 Ų125.955%0.55367%0.673SS**  trans-76.9106.4-179.5-78.4-97.1000109.5D27 Q33 F34D27-Y29 HydrophobicContact CB-CD2 3.69Å; D27-Y29 HydrophobicContact CB-CE2 4.12Å; D27-Y29 WeakPolarHBondContact O-CD2 3.12Å; D27-Y29 PolarHBondContact O-N 2.94Å; Y29-Q33 VanDerWaalsContact C-NE2 3.27Å; Y29-F34 HydrophobicContact CD1-CZ 4.17Å
30I73.9Confident69Low110 Ų110122.5 Ų122.556%0.56466%0.662SS**  trans-84.4138.1170.458.1176.8000110.5G28 L32 Q33G28-I30 PolarHBondContact O-N 3.18Å; I30-L32 HydrophobicContact CD1-CB 3.95Å; I30-L32 HydrophobicContact CG1-CB 4.14Å; I30-L32 PolarHBondContact O-N 3.29Å; I30-Q33 HydrophobicContact CG1-CB 4.46Å; I30-Q33 VanDerWaalsContact O-CG 3.22Å; I30-Q33 WeakPolarHBondContact O-CG 3.22Å; I30-Q33 PolarHBondContact O-N 3.35Å; I30-Q33 PolarHBondContact O-NE2 3.26Å
31D70.9Confident69Low139 Ų139119.9 Ų119.974%0.74364%0.639SS**G310 helixtrans-56.1-23.1176-71.7-18.9000112.9Q33 F34D31-Q33 PolarHBondContact O-N 3.31Å; D31-F34 PolarHBondContact O-N 2.99Å
32L68.1Low69.5Low120 Ų120111.1 Ų111.163%0.62860%0.602SS**G310 helixtrans-61.1-27.6175.5-10275.4000113.5I30 F34 K35I30-L32 HydrophobicContact CD1-CB 3.95Å; I30-L32 HydrophobicContact CG1-CB 4.14Å; I30-L32 PolarHBondContact O-N 3.29Å; L32-F34 PolarHBondContact O-N 3Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.21Å
33Q70Confident70.1Confident92 Ų92111.5 Ų111.543%0.4359%0.593SS.*G310 helixtrans-71.1-21.9-179.581.2-164.5-71.900112.9Y29 I30 D31Y29-Q33 VanDerWaalsContact C-NE2 3.27Å; I30-Q33 HydrophobicContact CG1-CB 4.46Å; I30-Q33 VanDerWaalsContact O-CG 3.22Å; I30-Q33 WeakPolarHBondContact O-CG 3.22Å; I30-Q33 PolarHBondContact O-N 3.35Å; I30-Q33 PolarHBondContact O-NE2 3.26Å; D31-Q33 PolarHBondContact O-N 3.31Å
34F73.9Confident70.9Confident152 Ų152113.1 Ų113.167%0.66759%0.589SS**G310 helixtrans-90.7-7176.7-58.4-69.8000112Y29 D31 L32 K36Y29-F34 HydrophobicContact CD1-CZ 4.17Å; D31-F34 PolarHBondContact O-N 2.99Å; L32-F34 PolarHBondContact O-N 3Å; F34-K36 PolarHBondContact O-N 2.89Å
35K68.9Low72Confident157 Ų157107.9 Ų107.968%0.68355%0.553SS**SBendtrans-76.3111.4170.3-79.4-175.6162.4179.40108.8L32 S37L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.21Å; K35-S37 PolarHBondContact O-N 2.92Å
36K64.6Low72.9Confident172 Ų172104.6 Ų104.675%0.74853%0.531SS*.PPolyproline II helixtrans-50.9130.9163.2-101.4-169.2170.9-164.90108.6F34 D113F34-K36 PolarHBondContact O-N 2.89Å; K36-D113 IonicContact NZ-OD2 2.92Å; K36-D113 PolarHBondContact NZ-OD2 3.3Å
37S63.1Low74.1Confident100 Ų100100.3 Ų100.370%0.69952%0.515SS*.PPolyproline II helixtrans-50.2147.5167.8-60.60000110.1K35K35-S37 PolarHBondContact O-N 2.92Å
38P65.4Low75.2Confident117 Ų11799 Ų9976%0.7651%0.508SS*.PPolyproline II helixtrans-53.6129.7177.421-31.4000109.3K40P38-K40 PolarHBondContact O-N 3.25Å; P38-K40 VanDerWaalsContact O-N 3.13Å
39P66.9Low76.2Confident81 Ų8196.5 Ų96.553%0.52648%0.482SS..PPolyproline II helixtrans-61.2120.6-175.523-31.5000109.2I41P39-I41 PolarHBondContact O-N 3.45Å
40K72.8Confident77.5Confident122 Ų12293.4 Ų93.453%0.5347%0.474SS..PPolyproline II helixtrans-70.8123.7173.3-177.8-174.7168.6-149.90107.3P38 P42 D117 D119P38-K40 PolarHBondContact O-N 3.25Å; P38-K40 VanDerWaalsContact O-N 3.13Å; K40-P42 VanDerWaalsContact O-CD 3.3Å; K40-P42 WeakPolarHBondContact O-CD 3.47Å; K40-D117 IonicContact NZ-OD2 2.67Å; K40-D117 PolarHBondContact NZ-OD2 2.92Å; K40-D117 VanDerWaalsContact NZ-OD2 3.08Å; K40-D119 VanDerWaalsContact CE-OD2 3.31Å; K40-D119 WeakPolarHBondContact CE-OD2 3.49Å; K40-D119 IonicContact NZ-OD2 3.08Å; K40-D119 PolarHBondContact NZ-OD2 3.28Å
41I75.7Confident78.5Confident55 Ų5591.9 Ų91.928%0.28247%0.47SS..PPolyproline II helixtrans-77.2118.9177.6-59.1166.9000107.6P39 Y43 I46 Y112P39-I41 PolarHBondContact O-N 3.45Å; I41-Y43 VanDerWaalsContact C-N 3.27Å; I41-Y43 HydrophobicContact CB-CD2 4.23Å; I41-Y43 HydrophobicContact CB-CE1 4.46Å; I41-Y43 HydrophobicContact CB-CE2 3.76Å; I41-Y43 HydrophobicContact CG2-CD1 4.17Å; I41-Y43 HydrophobicContact CG2-CD2 4.29Å; I41-Y43 HydrophobicContact CG2-CE1 3.92Å; I41-Y43 HydrophobicContact CG2-CE2 4.05Å; I41-Y43 HydrophobicContact CG2-CG 4.35Å; I41-Y43 WeakPolarHBondContact O-CD2 3.12Å; I41-Y43 PolarHBondContact O-N 3.03Å; I41-I46 HydrophobicContact CG2-CD1 3.85Å; I41-Y112 HydrophobicContact CG1-CD2 4.16Å; I41-Y112 HydrophobicContact CG1-CE2 4.05Å; I41-Y112 HydrophobicContact CG2-CD1 4.24Å; I41-Y112 HydrophobicContact CG2-CE1 4.02Å
42P83.8Confident79.6Confident6 Ų687.7 Ų87.74%0.03945%0.447CS..  trans-79.475.7-177.332.2-34.9000110.3K40 K44 A45 I46 I115K40-P42 VanDerWaalsContact O-CD 3.3Å; K40-P42 WeakPolarHBondContact O-CD 3.47Å; P42-K44 VanDerWaalsContact C-N 3.3Å; P42-K44 PolarHBondContact O-N 3.47Å; P42-A45 HydrophobicContact CB-CB 4.06Å; P42-A45 PolarHBondContact O-N 3.11Å; P42-I46 WeakPolarHBondContact O-CG1 3.21Å; P42-I46 PolarHBondContact O-N 2.93Å; P42-I46 VanDerWaalsContact O-N 3.11Å; P42-I115 HydrophobicContact CG-CB 3.89Å; P42-I115 HydrophobicContact CG-CD1 4.27Å; P42-I115 HydrophobicContact CG-CG2 3.93Å
43Y81.6Confident80.9Confident167 Ų16784.4 Ų84.466%0.65543%0.428SS*.Hα-helixtrans-58.1-38.2-175.4-70.6-77.5000113.3I41 I46 A47I41-Y43 VanDerWaalsContact C-N 3.27Å; I41-Y43 HydrophobicContact CB-CD2 4.23Å; I41-Y43 HydrophobicContact CB-CE1 4.46Å; I41-Y43 HydrophobicContact CB-CE2 3.76Å; I41-Y43 HydrophobicContact CG2-CD1 4.17Å; I41-Y43 HydrophobicContact CG2-CD2 4.29Å; I41-Y43 HydrophobicContact CG2-CE1 3.92Å; I41-Y43 HydrophobicContact CG2-CE2 4.05Å; I41-Y43 HydrophobicContact CG2-CG 4.35Å; I41-Y43 WeakPolarHBondContact O-CD2 3.12Å; I41-Y43 PolarHBondContact O-N 3.03Å; Y43-I46 PolarHBondContact O-N 2.79Å; Y43-A47 WeakPolarHBondContact O-CB 3.17Å; Y43-A47 PolarHBondContact O-N 3.05Å
44K85.6Confident82.2Confident121 Ų12185.8 Ų85.853%0.52644%0.436SS..Hα-helixtrans-63.4-43.2178.6-63.1-166.1-166.9151.90111.9P42 A47 L48 D119P42-K44 VanDerWaalsContact C-N 3.3Å; P42-K44 PolarHBondContact O-N 3.47Å; K44-A47 PolarHBondContact O-N 3.3Å; K44-L48 WeakPolarHBondContact O-CB 3.34Å; K44-L48 PolarHBondContact O-N 3.22Å; K44-D119 WeakPolarHBondContact CD-OD1 3.3Å; K44-D119 WeakPolarHBondContact CE-OD1 3.41Å; K44-D119 IonicContact NZ-OD1 2.64Å; K44-D119 PolarHBondContact NZ-OD1 3.42Å
45A87.2Confident83.3Confident3 Ų382.5 Ų82.53%0.02542%0.424CS..Hα-helixtrans-65.5-41178.300000112.1P42 L48 A49 I115 P116 F118P42-A45 HydrophobicContact CB-CB 4.06Å; P42-A45 PolarHBondContact O-N 3.11Å; A45-L48 PolarHBondContact O-N 3.33Å; A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 2.85Å; A45-I115 HydrophobicContact CB-CG2 3.41Å; A45-I115 VanDerWaalsContact CB-CG2 3.41Å; A45-P116 WeakPolarHBondContact CB-O 3.38Å; A45-F118 HydrophobicContact CB-CD2 3.68Å; A45-F118 HydrophobicContact CB-CE2 3.91Å
46I87.6Confident84.6Confident32 Ų3275 Ų7516%0.16439%0.392CS..Hα-helixtrans-64.2-44.2175.6-63.3167.8000110.3I41 P42 Y43 L48 A49 I50 A100 Y112 I115I41-I46 HydrophobicContact CG2-CD1 3.85Å; P42-I46 WeakPolarHBondContact O-CG1 3.21Å; P42-I46 PolarHBondContact O-N 2.93Å; P42-I46 VanDerWaalsContact O-N 3.11Å; Y43-I46 PolarHBondContact O-N 2.79Å; I46-L48 VanDerWaalsContact C-N 3.34Å; I46-L48 PolarHBondContact O-N 3Å; I46-A49 PolarHBondContact O-N 3.13Å; I46-I50 HydrophobicContact CG2-CD1 3.97Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.3Å; I46-I50 PolarHBondContact O-N 3.48Å; I46-A100 HydrophobicContact CD1-CB 4.29Å; I46-A100 HydrophobicContact CG1-CB 3.99Å; I46-Y112 HydrophobicContact CD1-CD1 4.32Å; I46-Y112 HydrophobicContact CD1-CE1 3.95Å; I46-I115 HydrophobicContact CG1-CD1 4.28Å
47A90.1Very high86.1Confident52 Ų5268.7 Ų68.743%0.4337%0.368SS..Hα-helixtrans-59.7-45176.300000111.5Y43 K44 I50 V51Y43-A47 WeakPolarHBondContact O-CB 3.17Å; Y43-A47 PolarHBondContact O-N 3.05Å; K44-A47 PolarHBondContact O-N 3.3Å; A47-I50 PolarHBondContact O-N 2.91Å; A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3.48Å
48L91.3Very high87.7Confident84 Ų8470.1 Ų70.144%0.4436%0.361SS..Hα-helixtrans-60.5-46.2175.7-176.8130.3000111.8K44 A45 I46 I50 V51 L52 F118K44-L48 WeakPolarHBondContact O-CB 3.34Å; K44-L48 PolarHBondContact O-N 3.22Å; A45-L48 PolarHBondContact O-N 3.33Å; I46-L48 VanDerWaalsContact C-N 3.34Å; I46-L48 PolarHBondContact O-N 3Å; L48-I50 VanDerWaalsContact C-N 3.32Å; L48-I50 PolarHBondContact O-N 3.23Å; L48-V51 PolarHBondContact O-N 3.36Å; L48-V51 VanDerWaalsContact O-N 3.16Å; L48-L52 HydrophobicContact CD2-CD1 3.99Å; L48-L52 HydrophobicContact CG-CD1 3.89Å; L48-L52 VanDerWaalsContact O-CD1 3.25Å; L48-L52 WeakPolarHBondContact O-CD1 3.21Å; L48-L52 PolarHBondContact O-N 3.22Å; L48-F118 HydrophobicContact CD2-CE2 4.42Å
49A92.2Very high89.1Confident3 Ų366.6 Ų66.63%0.02534%0.336CS..Hα-helixtrans-59.9-40.5177.300000112.5A45 I46 F53 H96A45-A49 WeakPolarHBondContact O-CB 3.4Å; A45-A49 PolarHBondContact O-N 2.85Å; I46-A49 PolarHBondContact O-N 3.13Å; A49-F53 VanDerWaalsContact O-CB 3.24Å; A49-F53 WeakPolarHBondContact O-CB 3.42Å; A49-F53 PolarHBondContact O-N 3.4Å; A49-H96 HydrophobicContact CB-CB 3.8Å
50I93.5Very high90.5Very high76 Ų7664.9 Ų64.939%0.3932%0.322SS..Hα-helixtrans-62.6-45.1174.9-67.4165.2000110.5I46 A47 L48 F53 M54 L97I46-I50 HydrophobicContact CG2-CD1 3.97Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.3Å; I46-I50 PolarHBondContact O-N 3.48Å; A47-I50 PolarHBondContact O-N 2.91Å; L48-I50 VanDerWaalsContact C-N 3.32Å; L48-I50 PolarHBondContact O-N 3.23Å; I50-F53 PolarHBondContact O-N 2.95Å; I50-M54 HydrophobicContact CG2-CG 4.28Å; I50-M54 WeakPolarHBondContact O-CB 3.3Å; I50-M54 VanDerWaalsContact O-CG 3.25Å; I50-M54 WeakPolarHBondContact O-CG 3.28Å; I50-M54 PolarHBondContact O-N 3.4Å; I50-L97 HydrophobicContact CD1-CD1 4.45Å; I50-L97 HydrophobicContact CG1-CD1 3.69Å
51V95.1Very high91.5Very high78 Ų7863.3 Ų63.347%0.47332%0.318SS..Hα-helixtrans-61.6-48.7178.8170.90000111A47 L48 F53 M54 I55A47-V51 WeakPolarHBondContact O-CG2 3.16Å; A47-V51 PolarHBondContact O-N 3.48Å; L48-V51 PolarHBondContact O-N 3.36Å; L48-V51 VanDerWaalsContact O-N 3.16Å; V51-F53 VanDerWaalsContact C-N 3.32Å; V51-F53 PolarHBondContact O-N 2.8Å; V51-M54 PolarHBondContact O-N 3.47Å; V51-I55 HydrophobicContact CG1-CD1 3.62Å; V51-I55 HydrophobicContact CG1-CG1 4.41Å; V51-I55 WeakPolarHBondContact O-CB 3.46Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.3Å; V51-I55 PolarHBondContact O-N 3.15Å
52L94.2Very high92.3Very high51 Ų5163.2 Ų63.227%0.26732%0.318SS..Hα-helixtrans-59.8-43.2176.5-91.270.6000111.5L48 G56 V89 P92L48-L52 HydrophobicContact CD2-CD1 3.99Å; L48-L52 HydrophobicContact CG-CD1 3.89Å; L48-L52 VanDerWaalsContact O-CD1 3.25Å; L48-L52 WeakPolarHBondContact O-CD1 3.21Å; L48-L52 PolarHBondContact O-N 3.22Å; L52-G56 PolarHBondContact O-N 3.2Å; L52-V89 HydrophobicContact CB-CG1 4.46Å; L52-V89 HydrophobicContact CG-CG1 4.37Å; L52-P92 HydrophobicContact CD2-CG 4.22Å
53F95.2Very high92.6Very high52 Ų5263 Ų6323%0.22832%0.316CS..Hα-helixtrans-61.7-45.1177.6176.8-99.3000112.1A49 I50 V51 T57 F90 F94 L97A49-F53 VanDerWaalsContact O-CB 3.24Å; A49-F53 WeakPolarHBondContact O-CB 3.42Å; A49-F53 PolarHBondContact O-N 3.4Å; I50-F53 PolarHBondContact O-N 2.95Å; V51-F53 VanDerWaalsContact C-N 3.32Å; V51-F53 PolarHBondContact O-N 2.8Å; F53-T57 VanDerWaalsContact O-CB 3.27Å; F53-T57 WeakPolarHBondContact O-CB 3.16Å; F53-T57 PolarHBondContact O-N 3.19Å; F53-T57 PolarHBondContact O-OG1 3.33Å; F53-F90 AromaticContact CD2-CD2 3.91Å; F53-F90 HydrophobicContact CD2-CD2 3.91Å; F53-F90 AromaticContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CE2 3.5Å; F53-F90 VanDerWaalsContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CZ 4.11Å; F53-F90 HydrophobicContact CE2-CD2 4.02Å; F53-F90 AromaticContact CE2-CE2 3.14Å; F53-F90 HydrophobicContact CE2-CE2 3.14Å; F53-F90 AromaticContact CE2-CZ 3.57Å; F53-F90 HydrophobicContact CE2-CZ 3.57Å; F53-F90 AromaticContact CZ-CE2 4Å; F53-F90 HydrophobicContact CZ-CE2 4Å; F53-F94 HydrophobicContact CD2-CB 3.99Å; F53-F94 HydrophobicContact CD2-CD2 4.18Å; F53-F94 HydrophobicContact CE2-CB 4.28Å; F53-F94 AromaticContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CG 4.45Å; F53-L97 HydrophobicContact CB-CD2 4.22Å; F53-L97 HydrophobicContact CD1-CD2 3.94Å; F53-L97 HydrophobicContact CD2-CD2 4.33Å; F53-L97 HydrophobicContact CE1-CD2 4.41Å; F53-L97 HydrophobicContact CG-CD2 3.9Å
54M97.3Very high93.1Very high120 Ų12057.1 Ų57.159%0.59130%0.303SS*.Hα-helixtrans-64.7-47.5179-72-61.4-66.300111.7I50 V51 T57 F58I50-M54 HydrophobicContact CG2-CG 4.28Å; I50-M54 WeakPolarHBondContact O-CB 3.3Å; I50-M54 VanDerWaalsContact O-CG 3.25Å; I50-M54 WeakPolarHBondContact O-CG 3.28Å; I50-M54 PolarHBondContact O-N 3.4Å; V51-M54 PolarHBondContact O-N 3.47Å; M54-T57 PolarHBondContact O-N 3.43Å; M54-F58 WeakPolarHBondContact O-CB 3.45Å; M54-F58 PolarHBondContact O-N 3.22Å
55I96.8Very high93.4Very high83 Ų8354.7 Ų54.743%0.42630%0.295SS..Hα-helixtrans-62.9-49.4178.3-67.3170.6000110.2V51 T57 F58 L59 V89V51-I55 HydrophobicContact CG1-CD1 3.62Å; V51-I55 HydrophobicContact CG1-CG1 4.41Å; V51-I55 WeakPolarHBondContact O-CB 3.46Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.3Å; V51-I55 PolarHBondContact O-N 3.15Å; I55-T57 PolarHBondContact O-N 2.95Å; I55-F58 PolarHBondContact O-N 3.35Å; I55-L59 HydrophobicContact CG2-CD1 3.75Å; I55-L59 WeakPolarHBondContact O-CD1 3.11Å; I55-L59 PolarHBondContact O-N 3.01Å; I55-V89 HydrophobicContact CG2-CG1 4.4Å
56G96Very high93.5Very high0 Ų056.3 Ų56.30%030%0.303CS..Hα-helixtrans-58.9-44.8178.900000112.4L52 F58 L59 I60L52-G56 PolarHBondContact O-N 3.2Å; G56-F58 PolarHBondContact O-N 3.29Å; G56-L59 PolarHBondContact O-N 3.42Å; G56-I60 VanDerWaalsContact O-CG1 3.25Å; G56-I60 WeakPolarHBondContact O-CG1 3.31Å; G56-I60 PolarHBondContact O-N 2.91Å
57T97.1Very high93.4Very high40 Ų4059 Ų5925%0.24532%0.317CS..Hα-helixtrans-61-44.6176.4-57.60000111.3F53 M54 I55 I60 I61 F90F53-T57 VanDerWaalsContact O-CB 3.27Å; F53-T57 WeakPolarHBondContact O-CB 3.16Å; F53-T57 PolarHBondContact O-N 3.19Å; F53-T57 PolarHBondContact O-OG1 3.33Å; M54-T57 PolarHBondContact O-N 3.43Å; I55-T57 PolarHBondContact O-N 2.95Å; T57-I60 PolarHBondContact O-N 3.42Å; T57-I61 HydrophobicContact CG2-CD1 3.85Å; T57-I61 HydrophobicContact CG2-CG1 4.47Å; T57-I61 VanDerWaalsContact O-CG1 3.27Å; T57-I61 WeakPolarHBondContact O-CG1 3.17Å; T57-I61 PolarHBondContact O-N 3.5Å; T57-F90 WeakPolarHBondContact OG1-CD2 3.46Å; T57-F90 WeakPolarHBondContact OG1-CE2 3.3Å
58F96.4Very high93.3Very high130 Ų13059.6 Ų59.657%0.5732%0.322SS*.Hα-helixtrans-62.3-44.3178.2-172.7-111.2000112M54 I55 G56 I60 I61 I62M54-F58 WeakPolarHBondContact O-CB 3.45Å; M54-F58 PolarHBondContact O-N 3.22Å; I55-F58 PolarHBondContact O-N 3.35Å; G56-F58 PolarHBondContact O-N 3.29Å; F58-I60 PolarHBondContact O-N 2.97Å; F58-I61 PolarHBondContact O-N 3.16Å; F58-I62 HydrophobicContact CD1-CD1 3.59Å; F58-I62 HydrophobicContact CD2-CD1 4.47Å; F58-I62 HydrophobicContact CE1-CD1 3.19Å; F58-I62 HydrophobicContact CE1-CG1 4.37Å; F58-I62 HydrophobicContact CE2-CD1 4.13Å; F58-I62 HydrophobicContact CG-CD1 4.23Å; F58-I62 HydrophobicContact CZ-CD1 3.5Å; F58-I62 HydrophobicContact CZ-CG1 4.38Å; F58-I62 WeakPolarHBondContact O-CG1 3.4Å; F58-I62 PolarHBondContact O-N 3.2Å
59L94.9Very high92.9Very high43 Ų4357.6 Ų57.623%0.22532%0.322CS..Hα-helixtrans-63.4-40.3175.8-9173.6000112.1I55 G56 I62 G63 I85I55-L59 HydrophobicContact CG2-CD1 3.75Å; I55-L59 WeakPolarHBondContact O-CD1 3.11Å; I55-L59 PolarHBondContact O-N 3.01Å; G56-L59 PolarHBondContact O-N 3.42Å; L59-I62 PolarHBondContact O-N 3.25Å; L59-G63 PolarHBondContact O-N 2.88Å; L59-I85 HydrophobicContact CD2-CB 4.43Å; L59-I85 HydrophobicContact CD2-CG2 3.77Å
60I95.8Very high92.5Very high44 Ų4466.6 Ų66.623%0.22636%0.357CS..Hα-helixtrans-63.5-44.6176.1-69.2167.4000110.5G56 T57 F58 G63 A64 I87 F90G56-I60 VanDerWaalsContact O-CG1 3.25Å; G56-I60 WeakPolarHBondContact O-CG1 3.31Å; G56-I60 PolarHBondContact O-N 2.91Å; T57-I60 PolarHBondContact O-N 3.42Å; F58-I60 PolarHBondContact O-N 2.97Å; I60-G63 PolarHBondContact O-N 3.48Å; I60-A64 VanDerWaalsContact O-CB 3.26Å; I60-A64 WeakPolarHBondContact O-CB 3.29Å; I60-A64 PolarHBondContact O-N 3.08Å; I60-I87 HydrophobicContact CD1-CG1 4.12Å; I60-I87 HydrophobicContact CG1-CG1 4.17Å; I60-F90 HydrophobicContact CD1-CB 3.7Å; I60-F90 HydrophobicContact CD1-CD1 4.38Å; I60-F90 HydrophobicContact CD1-CD2 4.1Å; I60-F90 HydrophobicContact CD1-CG 3.82Å
61I94.9Very high91.6Very high90 Ų9068 Ų6846%0.46236%0.364SS..Hα-helixtrans-61.2-47.5177.7-68.9164.9000110.3T57 F58 A64 L65T57-I61 HydrophobicContact CG2-CD1 3.85Å; T57-I61 HydrophobicContact CG2-CG1 4.47Å; T57-I61 VanDerWaalsContact O-CG1 3.27Å; T57-I61 WeakPolarHBondContact O-CG1 3.17Å; T57-I61 PolarHBondContact O-N 3.5Å; F58-I61 PolarHBondContact O-N 3.16Å; I61-A64 PolarHBondContact O-N 3.07Å; I61-L65 HydrophobicContact CG2-CD1 3.96Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 WeakPolarHBondContact O-CB 3.15Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.02Å; I61-L65 PolarHBondContact O-N 3.39Å
62I92.3Very high90.1Very high53 Ų5366.5 Ų66.527%0.27236%0.357SS..Hα-helixtrans-62.4-46.8177.2-69.8171000110.9F58 L59 A64 L65 L66 V82F58-I62 HydrophobicContact CD1-CD1 3.59Å; F58-I62 HydrophobicContact CD2-CD1 4.47Å; F58-I62 HydrophobicContact CE1-CD1 3.19Å; F58-I62 HydrophobicContact CE1-CG1 4.37Å; F58-I62 HydrophobicContact CE2-CD1 4.13Å; F58-I62 HydrophobicContact CG-CD1 4.23Å; F58-I62 HydrophobicContact CZ-CD1 3.5Å; F58-I62 HydrophobicContact CZ-CG1 4.38Å; F58-I62 WeakPolarHBondContact O-CG1 3.4Å; F58-I62 PolarHBondContact O-N 3.2Å; L59-I62 PolarHBondContact O-N 3.25Å; I62-A64 VanDerWaalsContact C-N 3.3Å; I62-A64 PolarHBondContact O-N 3.44Å; I62-L65 PolarHBondContact O-N 3.11Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.27Å; I62-L66 WeakPolarHBondContact O-CB 3.12Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 3.21Å; I62-V82 HydrophobicContact CG2-CG1 4.48Å
63G91.1Very high88.6Confident0 Ų074.9 Ų74.90%039%0.391CS..Hα-helixtrans-58.7-41.6177.200000112.2L59 I60 L66 L67L59-G63 PolarHBondContact O-N 2.88Å; I60-G63 PolarHBondContact O-N 3.48Å; G63-L66 PolarHBondContact O-N 3.29Å; G63-L67 WeakPolarHBondContact O-CB 3.46Å; G63-L67 PolarHBondContact O-N 2.67Å
64A91.6Very high86.9Confident45 Ų4574.6 Ų74.637%0.37240%0.403SS..Hα-helixtrans-67.1-42.5176.300000112.2I60 I61 I62 L67 A68 L83I60-A64 VanDerWaalsContact O-CB 3.26Å; I60-A64 WeakPolarHBondContact O-CB 3.29Å; I60-A64 PolarHBondContact O-N 3.08Å; I61-A64 PolarHBondContact O-N 3.07Å; I62-A64 VanDerWaalsContact C-N 3.3Å; I62-A64 PolarHBondContact O-N 3.44Å; A64-L67 PolarHBondContact O-N 3.05Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.35Å; A64-A68 PolarHBondContact O-N 2.93Å; A64-L83 HydrophobicContact CB-CD1 4.46Å
65L90.9Very high85.2Confident69 Ų6970.1 Ų70.136%0.36139%0.388SS..Hα-helixtrans-66.3-36.6176.1-71.4173.8000112.5I61 I62 G69 Y70 I71I61-L65 HydrophobicContact CG2-CD1 3.96Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 WeakPolarHBondContact O-CB 3.15Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.02Å; I61-L65 PolarHBondContact O-N 3.39Å; I62-L65 PolarHBondContact O-N 3.11Å; L65-G69 PolarHBondContact O-N 3.34Å; L65-Y70 HydrophobicContact CD2-CD2 4.26Å; L65-Y70 PolarHBondContact O-N 2.89Å; L65-I71 HydrophobicContact CB-CD1 3.68Å; L65-I71 HydrophobicContact CB-CG1 4.4Å; L65-I71 HydrophobicContact CD1-CD1 4.17Å
66L89.1Confident84Confident37 Ų3769.7 Ų69.719%0.19439%0.389CS..Hα-helixtrans-65.1-43.7172.2-74.8171.3000111.1I62 G63 G69 I71 A79I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.27Å; I62-L66 WeakPolarHBondContact O-CB 3.12Å; I62-L66 VanDerWaalsContact O-CG 3.3Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 3.21Å; G63-L66 PolarHBondContact O-N 3.29Å; L66-G69 PolarHBondContact O-N 3Å; L66-I71 HydrophobicContact CD2-CB 3.97Å; L66-I71 HydrophobicContact CD2-CG2 3.81Å; L66-A79 HydrophobicContact CB-CB 3.69Å
67L87Confident83.3Confident89 Ų8976.1 Ų76.147%0.46642%0.423SS..Hα-helixtrans-65.9-38.5178.4-17463.6000112.1G63 A64 G69 T76 A79G63-L67 WeakPolarHBondContact O-CB 3.46Å; G63-L67 PolarHBondContact O-N 2.67Å; A64-L67 PolarHBondContact O-N 3.05Å; L67-G69 PolarHBondContact O-N 3.19Å; L67-T76 HydrophobicContact CD1-CG2 3.93Å; L67-A79 HydrophobicContact CB-CB 3.9Å; L67-A79 HydrophobicContact CD1-CB 4.32Å
68A87.4Confident82.6Confident64 Ų6482.6 Ų82.653%0.52944%0.443SS..THydrogen-bonded Turntrans-73-4.2176.600000113.5A64 Y70A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.35Å; A64-A68 PolarHBondContact O-N 2.93Å; A68-Y70 VanDerWaalsContact C-N 3.29Å; A68-Y70 HydrophobicContact CB-CD2 3.67Å; A68-Y70 HydrophobicContact CB-CE2 3.98Å; A68-Y70 PolarHBondContact O-N 3.25Å
69G83.3Confident82.3Confident43 Ų4376.4 Ų76.444%0.44342%0.416SS..THydrogen-bonded Turntrans75.511.717500000114.9L65 L66 L67 I71L65-G69 PolarHBondContact O-N 3.34Å; L66-G69 PolarHBondContact O-N 3Å; L67-G69 PolarHBondContact O-N 3.19Å; G69-I71 VanDerWaalsContact C-N 3.35Å
70Y83.1Confident82.1Confident191 Ų19178.3 Ų78.375%0.74943%0.426SS*.SBendtrans-68.9-31.8178.1-80.9-79.7000112.9L65 A68L65-Y70 HydrophobicContact CD2-CD2 4.26Å; L65-Y70 PolarHBondContact O-N 2.89Å; A68-Y70 VanDerWaalsContact C-N 3.29Å; A68-Y70 HydrophobicContact CB-CD2 3.67Å; A68-Y70 HydrophobicContact CB-CE2 3.98Å; A68-Y70 PolarHBondContact O-N 3.25Å
71I74.9Confident81.9Confident106 Ų10679.2 Ų79.254%0.54444%0.435SS..SBendtrans-106.7-27.3-171.9-65.5169.7000112.6L65 L66 G69L65-I71 HydrophobicContact CB-CD1 3.68Å; L65-I71 HydrophobicContact CB-CG1 4.4Å; L65-I71 HydrophobicContact CD1-CD1 4.17Å; L66-I71 HydrophobicContact CD2-CB 3.97Å; L66-I71 HydrophobicContact CD2-CG2 3.81Å; G69-I71 VanDerWaalsContact C-N 3.35Å
72S64Low81.9Confident47 Ų4777 Ų7733%0.32943%0.425SS..  trans-149.2133.6179.9-1660000112G74S72-G74 PolarHBondContact O-N 3.25Å; S72-G74 PolarHBondContact OG-N 2.81Å
73K62.7Low81.9Confident227 Ų22776.8 Ų76.899%0.98742%0.424SS*.SBendtrans-73.5-6.7172.2-100.6179.2172.2174.40113.4
74G58.3Low82.2Confident45 Ų4581 Ų8146%0.46445%0.446SS..SBendtrans-124.657.3-163.800000115.8S72S72-G74 PolarHBondContact O-N 3.25Å; S72-G74 PolarHBondContact OG-N 2.81Å
75G61.5Low82.4Confident27 Ų2783.1 Ų83.128%0.27845%0.45SS..  trans128.8110.714600000115.5D77 R78G75-D77 PolarHBondContact O-N 2.69Å; G75-R78 PolarHBondContact O-N 3.3Å
76T71.1Confident82.6Confident73 Ų7379.9 Ų79.945%0.44843%0.433SS..Hα-helixtrans-34.9-34.9148.5-57.80000112.4L67 R78 A79 I80L67-T76 HydrophobicContact CD1-CG2 3.93Å; T76-R78 PolarHBondContact O-N 2.88Å; T76-R78 VanDerWaalsContact O-N 3.16Å; T76-A79 PolarHBondContact O-N 3.34Å; T76-I80 HydrophobicContact CG2-CD1 3.47Å; T76-I80 VanDerWaalsContact CG2-CD1 3.47Å; T76-I80 HydrophobicContact CG2-CG1 3.82Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 2.92Å
77D81.8Confident83Confident135 Ų13581.5 Ų81.572%0.72244%0.441SS*.Hα-helixtrans-52.6-32.3175.9-48.3-18.6000114.3G75 P81G75-D77 PolarHBondContact O-N 2.69Å; D77-P81 WeakPolarHBondContact O-CD 3.24Å; D77-P81 WeakPolarHBondContact O-CG 3.27Å
78R83.1Confident83.4Confident176 Ų17682.8 Ų82.866%0.66445%0.448SS*.Hα-helixtrans-92.1-30.7177.1-59.1-179.3-172.4-170.21.3112.3G75 T76 V82G75-R78 PolarHBondContact O-N 3.3Å; T76-R78 PolarHBondContact O-N 2.88Å; T76-R78 VanDerWaalsContact O-N 3.16Å; R78-V82 VanDerWaalsContact O-CG2 3.32Å; R78-V82 WeakPolarHBondContact O-CG2 3.25Å
79A89.6Confident83.8Confident1 Ų181.8 Ų81.81%0.00844%0.435CS..Hα-helixtrans-72.8-42.6-177.500000112L66 L67 T76 V82 L83L66-A79 HydrophobicContact CB-CB 3.69Å; L67-A79 HydrophobicContact CB-CB 3.9Å; L67-A79 HydrophobicContact CD1-CB 4.32Å; T76-A79 PolarHBondContact O-N 3.34Å; A79-V82 PolarHBondContact O-N 2.88Å; A79-L83 WeakPolarHBondContact O-CB 3.46Å; A79-L83 PolarHBondContact O-N 3.02Å
80I90.2Very high84.4Confident82 Ų8282.1 Ų82.142%0.42143%0.425SS..Hα-helixtrans-60.3-50.7-176.3-70.3179.8000112T76 V82 L83 I84T76-I80 HydrophobicContact CG2-CD1 3.47Å; T76-I80 VanDerWaalsContact CG2-CD1 3.47Å; T76-I80 HydrophobicContact CG2-CG1 3.82Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 2.92Å; I80-V82 VanDerWaalsContact C-N 3.35Å; I80-V82 PolarHBondContact O-N 3.43Å; I80-L83 PolarHBondContact O-N 3.31Å; I80-I84 HydrophobicContact CG2-CD1 3.62Å; I80-I84 HydrophobicContact CG2-CG1 4.29Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.38Å; I80-I84 PolarHBondContact O-N 2.98Å
81P93.3Very high85Confident64 Ų6478 Ų7842%0.41642%0.415SS..Hα-helixtrans-60.8-42.2179.1-24.234.5000112.9D77 L83 I84 I85D77-P81 WeakPolarHBondContact O-CD 3.24Å; D77-P81 WeakPolarHBondContact O-CG 3.27Å; P81-L83 VanDerWaalsContact C-N 3.32Å; P81-L83 PolarHBondContact O-N 2.9Å; P81-I84 PolarHBondContact O-N 3.28Å; P81-I85 VanDerWaalsContact O-CG1 3.26Å; P81-I85 WeakPolarHBondContact O-CG1 3.44Å; P81-I85 PolarHBondContact O-N 3.46Å
82V93Very high85.8Confident43 Ų4375.3 Ų75.326%0.26140%0.404SS..Hα-helixtrans-62.6-42178175.20000110.8I62 R78 A79 I80 I85 G86I62-V82 HydrophobicContact CG2-CG1 4.48Å; R78-V82 VanDerWaalsContact O-CG2 3.32Å; R78-V82 WeakPolarHBondContact O-CG2 3.25Å; A79-V82 PolarHBondContact O-N 2.88Å; I80-V82 VanDerWaalsContact C-N 3.35Å; I80-V82 PolarHBondContact O-N 3.43Å; V82-I85 PolarHBondContact O-N 3.37Å; V82-G86 PolarHBondContact O-N 3.16Å
83L94.1Very high87.2Confident48 Ų4873.1 Ų73.125%0.25139%0.389SS..Hα-helixtrans-65.1-44.5177.6-164.8106.1000111.6A64 A79 I80 P81 G86 I87A64-L83 HydrophobicContact CB-CD1 4.46Å; A79-L83 WeakPolarHBondContact O-CB 3.46Å; A79-L83 PolarHBondContact O-N 3.02Å; I80-L83 PolarHBondContact O-N 3.31Å; P81-L83 VanDerWaalsContact C-N 3.32Å; P81-L83 PolarHBondContact O-N 2.9Å; L83-G86 PolarHBondContact O-N 3.38Å; L83-I87 HydrophobicContact CD2-CD1 3.9Å; L83-I87 HydrophobicContact CG-CD1 4.19Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 2.85Å; L83-I87 PolarHBondContact O-N 3.31Å
84I95.6Very high88.7Confident89 Ų8967.3 Ų67.346%0.45636%0.364SS..Hα-helixtrans-60-48.7177-69168.5000110.2I80 P81 G86 I87 L88I80-I84 HydrophobicContact CG2-CD1 3.62Å; I80-I84 HydrophobicContact CG2-CG1 4.29Å; I80-I84 VanDerWaalsContact O-CG1 3.3Å; I80-I84 WeakPolarHBondContact O-CG1 3.38Å; I80-I84 PolarHBondContact O-N 2.98Å; P81-I84 PolarHBondContact O-N 3.28Å; I84-G86 VanDerWaalsContact C-N 3.33Å; I84-G86 PolarHBondContact O-N 2.91Å; I84-I87 PolarHBondContact O-N 2.94Å; I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CG 3.25Å; I84-L88 PolarHBondContact O-N 3.4Å
85I95.9Very high90.3Very high90 Ų9071.6 Ų71.646%0.46237%0.367SS..Hα-helixtrans-61.8-43.9178.3-66.1166.1000110.3L59 P81 V82 I87 L88 V89L59-I85 HydrophobicContact CD2-CB 4.43Å; L59-I85 HydrophobicContact CD2-CG2 3.77Å; P81-I85 VanDerWaalsContact O-CG1 3.26Å; P81-I85 WeakPolarHBondContact O-CG1 3.44Å; P81-I85 PolarHBondContact O-N 3.46Å; V82-I85 PolarHBondContact O-N 3.37Å; I85-I87 VanDerWaalsContact C-N 3.34Å; I85-I87 PolarHBondContact O-N 2.64Å; I85-L88 PolarHBondContact O-N 3.23Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CG2 3.29Å; I85-V89 PolarHBondContact O-N 2.93Å
86G96.1Very high91.7Very high0 Ų072.6 Ų72.60%036%0.364CS..Hα-helixtrans-56.6-46.4176.200000112.5V82 L83 I84 V89 F90V82-G86 PolarHBondContact O-N 3.16Å; L83-G86 PolarHBondContact O-N 3.38Å; I84-G86 VanDerWaalsContact C-N 3.33Å; I84-G86 PolarHBondContact O-N 2.91Å; G86-V89 PolarHBondContact O-N 3.34Å; G86-F90 WeakPolarHBondContact O-CB 3.45Å; G86-F90 PolarHBondContact O-N 2.96Å
87I96.4Very high92.6Very high71 Ų7171.3 Ų71.336%0.36436%0.355SS..Hα-helixtrans-62.5-47.8176.4-68.7167.2000110.9I60 L83 I84 I85 V89 F90 L91I60-I87 HydrophobicContact CD1-CG1 4.12Å; I60-I87 HydrophobicContact CG1-CG1 4.17Å; L83-I87 HydrophobicContact CD2-CD1 3.9Å; L83-I87 HydrophobicContact CG-CD1 4.19Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 2.85Å; L83-I87 PolarHBondContact O-N 3.31Å; I84-I87 PolarHBondContact O-N 2.94Å; I85-I87 VanDerWaalsContact C-N 3.34Å; I85-I87 PolarHBondContact O-N 2.64Å; I87-V89 VanDerWaalsContact C-N 3.3Å; I87-V89 PolarHBondContact O-N 2.92Å; I87-F90 PolarHBondContact O-N 2.92Å; I87-L91 HydrophobicContact CG2-CD1 3.6Å; I87-L91 WeakPolarHBondContact O-CD1 3.34Å; I87-L91 PolarHBondContact O-N 3.34Å
88L96.6Very high93.1Very high116 Ų11669.2 Ų69.261%0.60734%0.337SS*.Hα-helixtrans-61-36.7-179.5-72.4174.4000113I84 I85 P92I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CG 3.25Å; I84-L88 PolarHBondContact O-N 3.4Å; I85-L88 PolarHBondContact O-N 3.23Å; L88-P92 WeakPolarHBondContact O-CD 2.99Å
89V95.9Very high93.3Very high44 Ų4461.2 Ų61.227%0.26731%0.307SS..Hα-helixtrans-77.8-35.4176.41760000111.6L52 I55 I85 G86 I87 P92L52-V89 HydrophobicContact CB-CG1 4.46Å; L52-V89 HydrophobicContact CG-CG1 4.37Å; I55-V89 HydrophobicContact CG2-CG1 4.4Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CG2 3.29Å; I85-V89 PolarHBondContact O-N 2.93Å; G86-V89 PolarHBondContact O-N 3.34Å; I87-V89 VanDerWaalsContact C-N 3.3Å; I87-V89 PolarHBondContact O-N 2.92Å; V89-P92 WeakPolarHBondContact O-CD 3.34Å; V89-P92 WeakPolarHBondContact O-CG 3.36Å
90F95.6Very high93.2Very high50 Ų5061.5 Ų61.522%0.21931%0.309CS..Hα-helixtrans-67.5-42.6-179.6177.6-91.5000112.9F53 T57 I60 G86 I87 G93 F94F53-F90 AromaticContact CD2-CD2 3.91Å; F53-F90 HydrophobicContact CD2-CD2 3.91Å; F53-F90 AromaticContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CE2 3.5Å; F53-F90 VanDerWaalsContact CD2-CE2 3.5Å; F53-F90 HydrophobicContact CD2-CZ 4.11Å; F53-F90 HydrophobicContact CE2-CD2 4.02Å; F53-F90 AromaticContact CE2-CE2 3.14Å; F53-F90 HydrophobicContact CE2-CE2 3.14Å; F53-F90 AromaticContact CE2-CZ 3.57Å; F53-F90 HydrophobicContact CE2-CZ 3.57Å; F53-F90 AromaticContact CZ-CE2 4Å; F53-F90 HydrophobicContact CZ-CE2 4Å; T57-F90 WeakPolarHBondContact OG1-CD2 3.46Å; T57-F90 WeakPolarHBondContact OG1-CE2 3.3Å; I60-F90 HydrophobicContact CD1-CB 3.7Å; I60-F90 HydrophobicContact CD1-CD1 4.38Å; I60-F90 HydrophobicContact CD1-CD2 4.1Å; I60-F90 HydrophobicContact CD1-CG 3.82Å; G86-F90 WeakPolarHBondContact O-CB 3.45Å; G86-F90 PolarHBondContact O-N 2.96Å; I87-F90 PolarHBondContact O-N 2.92Å; F90-G93 PolarHBondContact O-N 3.45Å; F90-F94 HydrophobicContact CD1-CB 4.16Å; F90-F94 HydrophobicContact CE1-CB 3.77Å; F90-F94 HydrophobicContact CE1-CD1 4.38Å; F90-F94 AromaticContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CZ-CB 4Å; F90-F94 HydrophobicContact CZ-CD2 4.16Å; F90-F94 HydrophobicContact CZ-CG 4.08Å; F90-F94 WeakPolarHBondContact O-CB 3.41Å; F90-F94 PolarHBondContact O-N 3.48Å
91L95.3Very high93.1Very high103 Ų10363.1 Ų63.154%0.53931%0.311SS..Hα-helixtrans-52.3-56.2-177-101.170.1000113.8I87 G93 Y95I87-L91 HydrophobicContact CG2-CD1 3.6Å; I87-L91 WeakPolarHBondContact O-CD1 3.34Å; I87-L91 PolarHBondContact O-N 3.34Å; L91-G93 PolarHBondContact O-N 3.28Å; L91-Y95 VanDerWaalsContact O-CB 3.28Å; L91-Y95 WeakPolarHBondContact O-CB 3.34Å; L91-Y95 PolarHBondContact O-N 3.29Å
92P92.8Very high92.8Very high51 Ų5163.6 Ų63.633%0.33131%0.305SS..Hα-helixtrans-65.8-38.1179.224.5-32.8000112.1L52 L88 V89 Y95 H96L52-P92 HydrophobicContact CD2-CG 4.22Å; L88-P92 WeakPolarHBondContact O-CD 2.99Å; V89-P92 WeakPolarHBondContact O-CD 3.34Å; V89-P92 WeakPolarHBondContact O-CG 3.36Å; P92-Y95 PolarHBondContact O-N 2.92Å; P92-H96 PolarHBondContact O-CD2 2.97Å; P92-H96 PolarHBondContact O-N 3.45Å
93G92.6Very high92.4Very high0 Ų062.1 Ų62.10%030%0.297CS..Hα-helixtrans-61.6-48.8176.700000112.6F90 L91 L97F90-G93 PolarHBondContact O-N 3.45Å; L91-G93 PolarHBondContact O-N 3.28Å; G93-L97 WeakPolarHBondContact O-CB 3.3Å; G93-L97 PolarHBondContact O-N 2.87Å
94F94.3Very high91.9Very high105 Ų10563.3 Ų63.346%0.46131%0.309SS..Hα-helixtrans-65.2-41.7178.1-179.8-111.2000112.3F53 F90 L97 R98F53-F94 HydrophobicContact CD2-CB 3.99Å; F53-F94 HydrophobicContact CD2-CD2 4.18Å; F53-F94 HydrophobicContact CE2-CB 4.28Å; F53-F94 AromaticContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CD2 3.73Å; F53-F94 HydrophobicContact CE2-CG 4.45Å; F90-F94 HydrophobicContact CD1-CB 4.16Å; F90-F94 HydrophobicContact CE1-CB 3.77Å; F90-F94 HydrophobicContact CE1-CD1 4.38Å; F90-F94 AromaticContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CE1-CG 3.98Å; F90-F94 HydrophobicContact CZ-CB 4Å; F90-F94 HydrophobicContact CZ-CD2 4.16Å; F90-F94 HydrophobicContact CZ-CG 4.08Å; F90-F94 WeakPolarHBondContact O-CB 3.41Å; F90-F94 PolarHBondContact O-N 3.48Å; F94-L97 PolarHBondContact O-N 2.92Å; F94-R98 WeakPolarHBondContact O-CB 3.46Å; F94-R98 PolarHBondContact O-N 2.9Å
95Y91.5Very high91.3Very high135 Ų13564.7 Ų64.753%0.52931%0.312SS..Hα-helixtrans-58.7-52.1-179.7175.9-101.4000112.2L91 P92 R98 I99L91-Y95 VanDerWaalsContact O-CB 3.28Å; L91-Y95 WeakPolarHBondContact O-CB 3.34Å; L91-Y95 PolarHBondContact O-N 3.29Å; P92-Y95 PolarHBondContact O-N 2.92Å; Y95-R98 PolarHBondContact O-N 2.88Å; Y95-I99 HydrophobicContact CD1-CD1 3.99Å; Y95-I99 HydrophobicContact CD2-CD1 4.45Å; Y95-I99 HydrophobicContact CE1-CD1 3.46Å; Y95-I99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-I99 HydrophobicContact CE2-CD1 3.98Å; Y95-I99 HydrophobicContact CG-CD1 4.45Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.45Å; Y95-I99 PolarHBondContact O-N 3.41Å
96H90.8Very high90.4Very high49 Ų4963.3 Ų63.323%0.22732%0.321CS..Hα-helixtrans-70.6-37.2180-69-61.7000112.4A49 P92 R98 I99 A100A49-H96 HydrophobicContact CB-CB 3.8Å; P92-H96 PolarHBondContact O-CD2 2.97Å; P92-H96 PolarHBondContact O-N 3.45Å; H96-R98 VanDerWaalsContact C-N 3.29Å; H96-R98 PolarHBondContact O-N 3.29Å; H96-I99 PolarHBondContact O-N 3.44Å; H96-A100 WeakPolarHBondContact O-CB 3.25Å; H96-A100 PolarHBondContact O-N 2.93Å
97L91Very high89.6Confident46 Ų4669.3 Ų69.324%0.24134%0.344CS..Hα-helixtrans-63.1-38175.9-173.759.7000111.8I50 F53 G93 F94 A100 Y101I50-L97 HydrophobicContact CD1-CD1 4.45Å; I50-L97 HydrophobicContact CG1-CD1 3.69Å; F53-L97 HydrophobicContact CB-CD2 4.22Å; F53-L97 HydrophobicContact CD1-CD2 3.94Å; F53-L97 HydrophobicContact CD2-CD2 4.33Å; F53-L97 HydrophobicContact CE1-CD2 4.41Å; F53-L97 HydrophobicContact CG-CD2 3.9Å; G93-L97 WeakPolarHBondContact O-CB 3.3Å; G93-L97 PolarHBondContact O-N 2.87Å; F94-L97 PolarHBondContact O-N 2.92Å; L97-A100 PolarHBondContact O-N 3.36Å; L97-Y101 WeakPolarHBondContact O-CB 3.26Å; L97-Y101 PolarHBondContact O-N 3.25Å
98R90.8Very high88.5Confident91 Ų9177.6 Ų77.634%0.34337%0.371SS..Hα-helixtrans-63.3-48.2176.2-177.3-97-177.4-178.4-12.2111.4F94 Y95 H96 Y101 Y102 Y110F94-R98 WeakPolarHBondContact O-CB 3.46Å; F94-R98 PolarHBondContact O-N 2.9Å; Y95-R98 PolarHBondContact O-N 2.88Å; H96-R98 VanDerWaalsContact C-N 3.29Å; H96-R98 PolarHBondContact O-N 3.29Å; R98-Y101 PolarHBondContact O-N 3.4Å; R98-Y102 HydrophobicContact CG-CD2 3.8Å; R98-Y102 HydrophobicContact CG-CE2 3.6Å; R98-Y102 VanDerWaalsContact NE-CD2 3.32Å; R98-Y102 WeakPolarHBondContact O-CD2 3.39Å; R98-Y102 PolarHBondContact O-N 3.34Å; R98-Y110 PolarHBondContact NH1-OH 2.82Å; R98-Y110 PolarHBondContact NH2-OH 3.06Å
99I88.9Confident87.5Confident8 Ų875.6 Ų75.64%0.04138%0.378CS..Hα-helixtrans-60.5-46.6176.4-67.4163.2000110.5Y95 H96 Y101 Y102 A103 Y110 D114 I115Y95-I99 HydrophobicContact CD1-CD1 3.99Å; Y95-I99 HydrophobicContact CD2-CD1 4.45Å; Y95-I99 HydrophobicContact CE1-CD1 3.46Å; Y95-I99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-I99 HydrophobicContact CE2-CD1 3.98Å; Y95-I99 HydrophobicContact CG-CD1 4.45Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.45Å; Y95-I99 PolarHBondContact O-N 3.41Å; H96-I99 PolarHBondContact O-N 3.44Å; I99-Y101 VanDerWaalsContact C-N 3.29Å; I99-Y101 PolarHBondContact O-N 2.95Å; I99-Y102 PolarHBondContact O-N 3.32Å; I99-A103 VanDerWaalsContact O-CB 3.3Å; I99-A103 WeakPolarHBondContact O-CB 3.27Å; I99-A103 PolarHBondContact O-N 3.32Å; I99-Y110 HydrophobicContact CG1-CD1 4.47Å; I99-Y110 HydrophobicContact CG2-CD1 4.41Å; I99-D114 HydrophobicContact CG2-CB 4.11Å; I99-I115 HydrophobicContact CG2-CD1 4.49Å; I99-I115 HydrophobicContact CG2-CG1 4.06Å
100A87.7Confident86.6Confident7 Ų776.9 Ų76.96%0.05838%0.379CS..Hα-helixtrans-59.4-38.5177.800000112.7I46 H96 L97 S104 I115I46-A100 HydrophobicContact CD1-CB 4.29Å; I46-A100 HydrophobicContact CG1-CB 3.99Å; H96-A100 WeakPolarHBondContact O-CB 3.25Å; H96-A100 PolarHBondContact O-N 2.93Å; L97-A100 PolarHBondContact O-N 3.36Å; A100-S104 WeakPolarHBondContact O-CB 3.31Å; A100-S104 PolarHBondContact O-N 2.94Å; A100-I115 HydrophobicContact CB-CD1 3.72Å
101Y88.2Confident85.7Confident116 Ų11676.3 Ų76.346%0.45538%0.381SS..Hα-helixtrans-68.9-41.8176.8178.8-96000112.8L97 R98 I99 S104 K105L97-Y101 WeakPolarHBondContact O-CB 3.26Å; L97-Y101 PolarHBondContact O-N 3.25Å; R98-Y101 PolarHBondContact O-N 3.4Å; I99-Y101 VanDerWaalsContact C-N 3.29Å; I99-Y101 PolarHBondContact O-N 2.95Å; Y101-S104 PolarHBondContact O-N 3.49Å; Y101-S104 PolarHBondContact O-OG 3.3Å; Y101-K105 HydrophobicContact CE1-CD 3.95Å; Y101-K105 PolarHBondContact O-N 2.92Å; Y101-K105 WeakPolarHBondContact OH-CE 3.28Å; Y101-K105 PolarHBondContact OH-NZ 2.99Å
102Y86.3Confident84.8Confident73 Ų7373.3 Ų73.329%0.28636%0.363SS..Hα-helixtrans-72.4-33.7177.1-76.6-69000112.2R98 I99 K105 G106 Y107 Y110R98-Y102 HydrophobicContact CG-CD2 3.8Å; R98-Y102 HydrophobicContact CG-CE2 3.6Å; R98-Y102 VanDerWaalsContact NE-CD2 3.32Å; R98-Y102 WeakPolarHBondContact O-CD2 3.39Å; R98-Y102 PolarHBondContact O-N 3.34Å; I99-Y102 PolarHBondContact O-N 3.32Å; Y102-K105 PolarHBondContact O-N 2.8Å; Y102-G106 PolarHBondContact O-N 3.42Å; Y102-Y107 AromaticContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CE2 4.08Å; Y102-Y107 AromaticContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CE1-CD2 4.44Å; Y102-Y107 HydrophobicContact CE1-CE2 4.42Å; Y102-Y107 PolarHBondContact O-N 2.84Å; Y102-Y107 VanDerWaalsContact O-N 3.11Å; Y102-Y110 HydrophobicContact CD2-CE1 4.32Å; Y102-Y110 HydrophobicContact CG-CD1 4.43Å; Y102-Y110 HydrophobicContact CG-CD2 4.27Å; Y102-Y110 HydrophobicContact CG-CE1 4.41Å; Y102-Y110 HydrophobicContact CG-CE2 4.25Å; Y102-Y110 HydrophobicContact CG-CG 4.38Å
103A85.3Confident83.9Confident12 Ų1275.3 Ų75.310%0.09937%0.37CS..Hα-helixtrans-64.3-42.8171.800000111.5I99 K105 G106 Y112I99-A103 VanDerWaalsContact O-CB 3.3Å; I99-A103 WeakPolarHBondContact O-CB 3.27Å; I99-A103 PolarHBondContact O-N 3.32Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.2Å; A103-G106 PolarHBondContact O-N 3.47Å; A103-Y112 HydrophobicContact CB-CD1 4.11Å; A103-Y112 HydrophobicContact CB-CD2 4.22Å; A103-Y112 HydrophobicContact CB-CE1 3.96Å; A103-Y112 HydrophobicContact CB-CE2 4.09Å; A103-Y112 HydrophobicContact CB-CG 4.24Å
104S82.1Confident83.1Confident73 Ų7379.6 Ų79.651%0.5139%0.393SS..Hα-helixtrans-65.9-30.9178.973.40000113.4A100 Y101 G106 Y112A100-S104 WeakPolarHBondContact O-CB 3.31Å; A100-S104 PolarHBondContact O-N 2.94Å; Y101-S104 PolarHBondContact O-N 3.49Å; Y101-S104 PolarHBondContact O-OG 3.3Å; S104-G106 VanDerWaalsContact C-N 3.3Å; S104-Y112 WeakPolarHBondContact CA-OH 3.14Å; S104-Y112 WeakPolarHBondContact CB-OH 3.39Å; S104-Y112 PolarHBondContact N-OH 3.45Å
105K83.1Confident82.3Confident118 Ų11875.1 Ų75.151%0.51337%0.374SS..THydrogen-bonded Turntrans-81.8-2.9173.4-79.1-167.3167.4-175.70114.3Y101 Y102 A103 Y107Y101-K105 HydrophobicContact CE1-CD 3.95Å; Y101-K105 PolarHBondContact O-N 2.92Å; Y101-K105 WeakPolarHBondContact OH-CE 3.28Å; Y101-K105 PolarHBondContact OH-NZ 2.99Å; Y102-K105 PolarHBondContact O-N 2.8Å; A103-K105 VanDerWaalsContact C-N 3.3Å; A103-K105 PolarHBondContact O-N 3.2Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 HydrophobicContact CB-CD2 3.62Å; K105-Y107 HydrophobicContact CB-CE2 3.71Å; K105-Y107 HydrophobicContact CD-CE2 3.95Å; K105-Y107 HydrophobicContact CG-CE2 4.49Å; K105-Y107 PolarHBondContact O-N 2.95Å
106G78.3Confident81.5Confident62 Ų6271.3 Ų71.364%0.63937%0.366SS*.THydrogen-bonded Turntrans69.926.7178.400000114.3Y102 A103 S104 R108Y102-G106 PolarHBondContact O-N 3.42Å; A103-G106 PolarHBondContact O-N 3.47Å; S104-G106 VanDerWaalsContact C-N 3.3Å; G106-R108 PolarHBondContact O-N 3.01Å
107Y78.6Confident80.7Confident126 Ų12672.9 Ų72.949%0.49438%0.376SS..  trans-65.3132.9174.6-82.9-94.7000110.5Y102 K105 G109 Y110Y102-Y107 AromaticContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CD2 3.7Å; Y102-Y107 HydrophobicContact CD1-CE2 4.08Å; Y102-Y107 AromaticContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CD1-CG 3.93Å; Y102-Y107 HydrophobicContact CE1-CD2 4.44Å; Y102-Y107 HydrophobicContact CE1-CE2 4.42Å; Y102-Y107 PolarHBondContact O-N 2.84Å; Y102-Y107 VanDerWaalsContact O-N 3.11Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-Y107 HydrophobicContact CB-CD2 3.62Å; K105-Y107 HydrophobicContact CB-CE2 3.71Å; K105-Y107 HydrophobicContact CD-CE2 3.95Å; K105-Y107 HydrophobicContact CG-CE2 4.49Å; K105-Y107 PolarHBondContact O-N 2.95Å; Y107-G109 PolarHBondContact O-N 2.95Å; Y107-Y110 PolarHBondContact O-N 3.16Å
108R73.4Confident79.7Confident245 Ų24575.9 Ų75.993%0.92539%0.387SS*.THydrogen-bonded Turntrans-59.4126.6177.9-64.6176.167.1176.20.8109.6G106G106-R108 PolarHBondContact O-N 3.01Å
109G76.1Confident78.3Confident74 Ų7474.2 Ų74.276%0.76339%0.385SS*.THydrogen-bonded Turntrans96.24.7179.100000115.6Y107Y107-G109 PolarHBondContact O-N 2.95Å
110Y75.8Confident76.9Confident71 Ų7184.9 Ų84.928%0.27844%0.442SS..  trans-116.2119.4170-65.1-85.9000109.2R98 I99 Y102 Y107R98-Y110 PolarHBondContact NH1-OH 2.82Å; R98-Y110 PolarHBondContact NH2-OH 3.06Å; I99-Y110 HydrophobicContact CG1-CD1 4.47Å; I99-Y110 HydrophobicContact CG2-CD1 4.41Å; Y102-Y110 HydrophobicContact CD2-CE1 4.32Å; Y102-Y110 HydrophobicContact CG-CD1 4.43Å; Y102-Y110 HydrophobicContact CG-CD2 4.27Å; Y102-Y110 HydrophobicContact CG-CE1 4.41Å; Y102-Y110 HydrophobicContact CG-CE2 4.25Å; Y102-Y110 HydrophobicContact CG-CG 4.38Å; Y107-Y110 PolarHBondContact O-N 3.16Å
111S76.7Confident76.4Confident37 Ų3788.8 Ų88.826%0.25946%0.462SS..  trans-116.6152.2173.3-167.20000110.3D113 D114S111-D113 PolarHBondContact O-N 3.46Å; S111-D113 WeakPolarHBondContact OG-CB 3.11Å; S111-D113 PolarHBondContact OG-N 3.26Å; S111-D113 PolarHBondContact OG-OD2 3.18Å; S111-D114 PolarHBondContact N-OD2 3.37Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 3.37Å
112Y77.3Confident75.8Confident41 Ų4187.4 Ų87.416%0.16146%0.462CS..G310 helixtrans-64.7-20165.2-71.8-67.8000112I41 I46 A103 S104 D114 I115I41-Y112 HydrophobicContact CG1-CD2 4.16Å; I41-Y112 HydrophobicContact CG1-CE2 4.05Å; I41-Y112 HydrophobicContact CG2-CD1 4.24Å; I41-Y112 HydrophobicContact CG2-CE1 4.02Å; I46-Y112 HydrophobicContact CD1-CD1 4.32Å; I46-Y112 HydrophobicContact CD1-CE1 3.95Å; A103-Y112 HydrophobicContact CB-CD1 4.11Å; A103-Y112 HydrophobicContact CB-CD2 4.22Å; A103-Y112 HydrophobicContact CB-CE1 3.96Å; A103-Y112 HydrophobicContact CB-CE2 4.09Å; A103-Y112 HydrophobicContact CB-CG 4.24Å; S104-Y112 WeakPolarHBondContact CA-OH 3.14Å; S104-Y112 WeakPolarHBondContact CB-OH 3.39Å; S104-Y112 PolarHBondContact N-OH 3.45Å; Y112-D114 PolarHBondContact O-N 3.33Å; Y112-I115 HydrophobicContact CD1-CD1 4Å; Y112-I115 PolarHBondContact O-N 2.91Å; Y112-I115 VanDerWaalsContact O-N 3.15Å
113D74.3Confident75.2Confident92 Ų9288.2 Ų88.249%0.49247%0.472SS..G310 helixtrans-60-21.9173-56.7-27.5000112.7K36 S111 I115K36-D113 IonicContact NZ-OD2 2.92Å; K36-D113 PolarHBondContact NZ-OD2 3.3Å; S111-D113 PolarHBondContact O-N 3.46Å; S111-D113 WeakPolarHBondContact OG-CB 3.11Å; S111-D113 PolarHBondContact OG-N 3.26Å; S111-D113 PolarHBondContact OG-OD2 3.18Å; D113-I115 VanDerWaalsContact C-N 3.26Å; D113-I115 PolarHBondContact O-N 3.46Å
114D75.6Confident74.6Confident90 Ų9092.6 Ų92.648%0.48149%0.494SS..G310 helixtrans-83.2-3.8-179.1-57.5-49000112.8I99 S111 Y112I99-D114 HydrophobicContact CG2-CB 4.11Å; S111-D114 PolarHBondContact N-OD2 3.37Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 3.37Å; Y112-D114 PolarHBondContact O-N 3.33Å
115I76Confident74.1Confident11 Ų1193.9 Ų93.96%0.05649%0.493CS..SBendtrans-100.6128.6178.6-58.5173.2000107.7P42 A45 I46 I99 A100 Y112 D113 D117P42-I115 HydrophobicContact CG-CB 3.89Å; P42-I115 HydrophobicContact CG-CD1 4.27Å; P42-I115 HydrophobicContact CG-CG2 3.93Å; A45-I115 HydrophobicContact CB-CG2 3.41Å; A45-I115 VanDerWaalsContact CB-CG2 3.41Å; I46-I115 HydrophobicContact CG1-CD1 4.28Å; I99-I115 HydrophobicContact CG2-CD1 4.49Å; I99-I115 HydrophobicContact CG2-CG1 4.06Å; A100-I115 HydrophobicContact CB-CD1 3.72Å; Y112-I115 HydrophobicContact CD1-CD1 4Å; Y112-I115 PolarHBondContact O-N 2.91Å; Y112-I115 VanDerWaalsContact O-N 3.15Å; D113-I115 VanDerWaalsContact C-N 3.26Å; D113-I115 PolarHBondContact O-N 3.46Å; I115-D117 PolarHBondContact O-N 2.85Å
116P75.7Confident73.5Confident56 Ų5692.3 Ų92.336%0.36449%0.491SS..PPolyproline II helixtrans-55127.6175.7-23.432.4000111.1A45 F118A45-P116 WeakPolarHBondContact CB-O 3.38Å; P116-F118 HydrophobicContact CB-CE1 4.46Å; P116-F118 HydrophobicContact CB-CE2 3.93Å; P116-F118 HydrophobicContact CB-CZ 3.86Å; P116-F118 HydrophobicContact CG-CZ 4.5Å; P116-F118 WeakPolarHBondContact O-CD2 3.26Å
117D73.3Confident73.2Confident82 Ų8294.4 Ų94.444%0.43948%0.481SS..PPolyproline II helixtrans-78.7133.8168.6-160.2-8.1000108.3K40 I115 D119K40-D117 IonicContact NZ-OD2 2.67Å; K40-D117 PolarHBondContact NZ-OD2 2.92Å; K40-D117 VanDerWaalsContact NZ-OD2 3.08Å; I115-D117 PolarHBondContact O-N 2.85Å; D117-D119 VanDerWaalsContact OD1-CB 3.3Å; D117-D119 WeakPolarHBondContact OD1-CB 3.32Å; D117-D119 VanDerWaalsContact OD1-CG 3.29Å; D117-D119 PolarHBondContact OD1-N 3.21Å
118F69.6Low72.8Confident108 Ų10892 Ų9247%0.47448%0.48SS..  trans-11521.4177.6-62.3-79.4000110.7A45 L48 P116 D120A45-F118 HydrophobicContact CB-CD2 3.68Å; A45-F118 HydrophobicContact CB-CE2 3.91Å; L48-F118 HydrophobicContact CD2-CE2 4.42Å; P116-F118 HydrophobicContact CB-CE1 4.46Å; P116-F118 HydrophobicContact CB-CE2 3.93Å; P116-F118 HydrophobicContact CB-CZ 3.86Å; P116-F118 HydrophobicContact CG-CZ 4.5Å; P116-F118 WeakPolarHBondContact O-CD2 3.26Å; F118-D120 PolarHBondContact O-N 3.36Å
119D62.5Low72.8Confident57 Ų5779.3 Ų79.331%0.30544%0.443SS..  trans-88.667.2173.7-69.6-22.2000111.3K40 K44 D117K40-D119 VanDerWaalsContact CE-OD2 3.31Å; K40-D119 WeakPolarHBondContact CE-OD2 3.49Å; K40-D119 IonicContact NZ-OD2 3.08Å; K40-D119 PolarHBondContact NZ-OD2 3.28Å; K44-D119 WeakPolarHBondContact CD-OD1 3.3Å; K44-D119 WeakPolarHBondContact CE-OD1 3.41Å; K44-D119 IonicContact NZ-OD1 2.64Å; K44-D119 PolarHBondContact NZ-OD1 3.42Å; D117-D119 VanDerWaalsContact OD1-CB 3.3Å; D117-D119 WeakPolarHBondContact OD1-CB 3.32Å; D117-D119 VanDerWaalsContact OD1-CG 3.29Å; D117-D119 PolarHBondContact OD1-N 3.21Å
120D60.3Low72.5Confident232 Ų23279.7 Ų79.7100%1.24141%0.414SS*.  trans-102.20159.3-71.1-34.2000110.5F118F118-D120 PolarHBondContact O-N 3.36Å

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