A0A5K4F7K1_SCHMA Loading...

TAP-C domain-containing protein

Involved in the export of mRNA from the nucleus to the cytoplasm.

AlphaFold DB , UniProt , Accession A0A5K4F7K1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 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
1M41.5Very low38.1Very low239 Ų239199.5 Ų199.5100%1.17790%0.9SS**  0106.70-71.8165.310100108
2K36.2Very low37.6Very low204 Ų204198.7 Ų198.789%0.88789%0.894SS**  44.3113.8103.9-80.7-175-179.2175.50111.6
3K37.3Very low37.2Very low202 Ų202192.6 Ų192.688%0.87888%0.882SS**  -165.313766.9-104.9166177.6172.90112.6
4R33.4Very low37.2Very low244 Ų244189.1 Ų189.192%0.92187%0.874SS**  trans-75.2149.6160.6-72174.2165.2177.9-4.9111
5R47.1Very low36.8Very low249 Ų249188.4 Ų188.494%0.9487%0.871SS**  trans-141.8127.2147.1-70.6-176176.8179.7-0.7104.7
6G35.3Very low36.7Very low73 Ų73185.4 Ų185.475%0.75386%0.862SS**  cis10977.220.300000109.3
7F39.7Very low36.7Very low217 Ų217185.2 Ų185.295%0.95286%0.858SS**  trans-118.5120.1168.6-110.4-87.6000110
8K42.7Very low36.5Very low207 Ų207179.7 Ų179.790%0.985%0.851SS**PPolyproline II helixtrans-79.3144180-82.6177.3170-179.30110.8
9K32.5Very low36.5Very low188 Ų188180.1 Ų180.182%0.81785%0.852SS**PPolyproline II helixtrans-84.2135.5173.8-159.2-180-176.1-168.60108.9
10K39.6Very low36.4Very low207 Ų207179 Ų17990%0.985%0.852SS**PPolyproline II helixtrans-95.4122.3167.6-113.5-179.3175.2-176.40107.9
11E34Very low36.3Very low165 Ų165179.6 Ų179.677%0.77185%0.854SS**PPolyproline II helixtrans-90142.3167.4-76.8173.8158.600108.7
12F32.5Very low36Very low189 Ų189172 Ų17283%0.82984%0.836SS**  trans-127.3116.9166.1-130.6-89.6000105.8
13T31.6Very low35.9Very low120 Ų120170.6 Ų170.674%0.73683%0.833SS**  trans-109.1128.1171.940.30000106.5
14D37.3Very low35.6Very low144 Ų144167.5 Ų167.577%0.7784%0.835SS**  trans-128.8112.4157.5-84.3-34.9000107.8
15E32Very low35.5Very low178 Ų178161.6 Ų161.683%0.83282%0.822SS**  trans-66.6145.8158-65.8170.1154.100108.2
16L34.9Very low34.8Very low140 Ų140156.9 Ų156.973%0.73381%0.814SS**  trans-174123.3147.1-99.6152.4000110.5
17F36.9Very low34.8Very low182 Ų182159 Ų15980%0.79881%0.813SS**  trans92.292163-52-68.2000120.2
18A32.1Very low34.4Very low87 Ų87155.9 Ų155.972%0.71981%0.806SS**  trans-58.1160.4137.700000109.7
19E36.1Very low33.7Very low186 Ų186149.8 Ų149.887%0.86979%0.794SS**  cis-152.3157.745.1-74163.8168.300106.2
20D36.3Very low33.6Very low159 Ų159145.7 Ų145.785%0.8579%0.789SS**  -173.9144.179.4-158.20.9000109.9
21E33.3Very low33.2Very low192 Ų192143.2 Ų143.290%0.89778%0.784SS**  trans-86.2141.4-176.7-65.7-162.1152.500111.5
22G36.1Very low33.1Very low78 Ų78142.5 Ų142.580%0.80479%0.785SS**  trans-152.4101.6173.800000110.6
23E33.1Very low33.3Very low175 Ų175144.9 Ų144.982%0.81879%0.788SS**  trans-52.5140.6-177.6-66.6177.3125.800114.1
24C31.1Very low33.6Very low137 Ų137145.7 Ų145.793%0.92679%0.792SS**  trans-144.6104.4150-132.30000109.5
25N30.9Very low33.9Very low120 Ų120146.6 Ų146.664%0.64279%0.792SS**  trans-81150.8-176.4-96-46000112.9
26L32.2Very low34.4Very low150 Ų150147.4 Ų147.479%0.78580%0.795SS**  trans69.7129.4151.7-65.4153.6000115.4
27V35.5Very low35.5Very low118 Ų118143.6 Ų143.672%0.71578%0.778SS**  -170.7132.964.31650000109.3
28N31.4Very low36.8Very low151 Ų151137.8 Ų137.881%0.80776%0.76SS**  trans43.9145.6148.6-65.6-24.6000120.6
29A28.5Very low38.2Very low79 Ų79138.3 Ų138.365%0.65376%0.758SS**  cis-170.3153.113.600000107.8
30S29.5Very low39.9Very low102 Ų102137.7 Ų137.771%0.71375%0.753SS**  trans10.8122.6154.652.90000118.4
31I32Very low41.6Very low155 Ų155133.1 Ų133.180%0.79573%0.731SS**  trans174.6107.1135-88149.2000108.1
32L32.8Very low43.2Very low150 Ų150130.6 Ų130.679%0.78572%0.717SS**  trans148.591.3136-76.1165.4000113.1V34L32-V34 PolarHBondContact O-N 3.25Å
33R35.4Very low44.9Very low240 Ų240136.6 Ų136.691%0.90672%0.715SS**  trans-56.7115.4151.5-74.4178.6176.8179.2-0.8108.2E35R33-E35 PolarHBondContact O-N 2.91Å; R33-E35 VanDerWaalsContact O-N 3.17Å
34V38.8Very low46.9Very low136 Ų136137.8 Ų137.882%0.82471%0.712SS**  trans-8391.2173.8179.10000108.2L32L32-V34 PolarHBondContact O-N 3.25Å
35E43.8Very low49Very low164 Ų164135.2 Ų135.277%0.76669%0.689SS**  trans-63.1132.4166.4-74.6-174.1165.500110.1R33 V37R33-E35 PolarHBondContact O-N 2.91Å; R33-E35 VanDerWaalsContact O-N 3.17Å; E35-V37 VanDerWaalsContact C-N 3.31Å; E35-V37 PolarHBondContact O-N 3.07Å
36H42.3Very low50.6Low194 Ų194138.6 Ų138.690%0.89869%0.693SS**  trans-75.179.4-174.1-147.7-79.3000110.7S38H36-S38 PolarHBondContact O-N 3.43Å
37V58Low52.6Low61 Ų61139.2 Ų139.237%0.3769%0.689SS.*  trans-68.2118.8178.9-179.30000110.4E35 T41 K42E35-V37 VanDerWaalsContact C-N 3.31Å; E35-V37 PolarHBondContact O-N 3.07Å; V37-T41 HydrophobicContact CG1-CG2 3.72Å; V37-K42 HydrophobicContact CB-CG 4.42Å; V37-K42 HydrophobicContact CG1-CG 4Å
38S63.2Low54.6Low59 Ų59140.4 Ų140.441%0.41369%0.685SS.*  trans-53.4147.4178.689.60000112.4H36 K40 T41 K42H36-S38 PolarHBondContact O-N 3.43Å; S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.14Å; S38-T41 WeakPolarHBondContact O-CB 3.35Å; S38-T41 PolarHBondContact O-N 3.44Å; S38-T41 PolarHBondContact OG-N 3.23Å; S38-T41 PolarHBondContact OG-OG1 3.19Å; S38-K42 PolarHBondContact O-N 2.79Å
39S61.6Low56.2Low98 Ų98136.9 Ų136.969%0.68567%0.669SS**Hα-helixtrans-56.6-31.1179.862.90000113.1R43S39-R43 WeakPolarHBondContact O-CB 3.25Å; S39-R43 PolarHBondContact O-N 2.82Å
40K72.6Confident57.7Low174 Ų174137.9 Ų137.976%0.75766%0.663SS**Hα-helixtrans-66.2-41.7174.5-73.9-176.1178.91760111.8S38 R43 R44S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.14Å; K40-R43 PolarHBondContact O-N 3.11Å; K40-R44 PolarHBondContact O-N 2.99Å
41T72.4Confident59.6Low63 Ų63140.5 Ų140.539%0.38766%0.661SS.*Hα-helixtrans-69-41.5178-44.90000111.1V37 S38 R43 R44 N45V37-T41 HydrophobicContact CG1-CG2 3.72Å; S38-T41 WeakPolarHBondContact O-CB 3.35Å; S38-T41 PolarHBondContact O-N 3.44Å; S38-T41 PolarHBondContact OG-N 3.23Å; S38-T41 PolarHBondContact OG-OG1 3.19Å; T41-R43 VanDerWaalsContact C-N 3.31Å; T41-R43 PolarHBondContact O-N 3.17Å; T41-R44 PolarHBondContact O-N 3.25Å; T41-N45 WeakPolarHBondContact O-CB 3.46Å; T41-N45 PolarHBondContact O-N 3.07Å
42K66.7Low61.1Low139 Ų139141 Ų14160%0.60466%0.658SS**Hα-helixtrans-58-42.1172-72.2-173.5-179.4178.90111.9V37 S38 N45 R46V37-K42 HydrophobicContact CB-CG 4.42Å; V37-K42 HydrophobicContact CG1-CG 4Å; S38-K42 PolarHBondContact O-N 2.79Å; K42-N45 PolarHBondContact O-N 3.49Å; K42-R46 WeakPolarHBondContact O-CB 3.14Å; K42-R46 PolarHBondContact O-N 3.03Å
43R70.6Confident62Low204 Ų204138.2 Ų138.277%0.7764%0.643SS**Hα-helixtrans-68.9-39.5179-161.2175.5-177.4-177.9-0112.8S39 K40 T41 R46 K47S39-R43 WeakPolarHBondContact O-CB 3.25Å; S39-R43 PolarHBondContact O-N 2.82Å; K40-R43 PolarHBondContact O-N 3.11Å; T41-R43 VanDerWaalsContact C-N 3.31Å; T41-R43 PolarHBondContact O-N 3.17Å; R43-R46 PolarHBondContact O-N 3.05Å; R43-K47 PolarHBondContact O-N 3.12Å; R43-K47 VanDerWaalsContact O-N 3.1Å
44R76.6Confident63Low199 Ų199134.1 Ų134.175%0.75163%0.634SS**Hα-helixtrans-64.4-45173.3-91.5-175.7170.6177.1-2.5111.8K40 T41 R46 K47 K48K40-R44 PolarHBondContact O-N 2.99Å; T41-R44 PolarHBondContact O-N 3.25Å; R44-R46 PolarHBondContact O-N 3.32Å; R44-K47 PolarHBondContact O-N 2.86Å; R44-K48 PolarHBondContact O-N 2.77Å
45N73.7Confident63.9Low84 Ų84134.5 Ų134.545%0.44963%0.632SS.*Hα-helixtrans-61.4-44.8176.3-75.2-7.1000110.8T41 K42 K47 K48 T49T41-N45 WeakPolarHBondContact O-CB 3.46Å; T41-N45 PolarHBondContact O-N 3.07Å; K42-N45 PolarHBondContact O-N 3.49Å; N45-K47 VanDerWaalsContact C-N 3.33Å; N45-K47 PolarHBondContact O-N 2.9Å; N45-K48 PolarHBondContact O-N 3.38Å; N45-K48 VanDerWaalsContact O-N 3.07Å; N45-T49 PolarHBondContact O-N 3.3Å; N45-T49 PolarHBondContact O-OG1 2.96Å
46R64.7Low64.2Low190 Ų190130.8 Ų130.872%0.71762%0.616SS**Hα-helixtrans-59.9-39.2177.4-153.1175.5-176.7-177.20.3113.1K42 R43 R44 T49 L50K42-R46 WeakPolarHBondContact O-CB 3.14Å; K42-R46 PolarHBondContact O-N 3.03Å; R43-R46 PolarHBondContact O-N 3.05Å; R44-R46 PolarHBondContact O-N 3.32Å; R46-T49 PolarHBondContact O-N 3.36Å; R46-L50 HydrophobicContact CG-CD1 4.5Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.4Å
47K73.9Confident64.7Low163 Ų163128 Ų12871%0.70960%0.604SS**Hα-helixtrans-66.4-39173.7-109.1-173175.8-1730112.6R43 R44 N45 K51R43-K47 PolarHBondContact O-N 3.12Å; R43-K47 VanDerWaalsContact O-N 3.1Å; R44-K47 PolarHBondContact O-N 2.86Å; N45-K47 VanDerWaalsContact C-N 3.33Å; N45-K47 PolarHBondContact O-N 2.9Å; K47-K51 PolarHBondContact O-N 3.28Å; K47-K51 VanDerWaalsContact O-N 3.12Å
48K77.4Confident64Low143 Ų143132.6 Ų132.662%0.62262%0.619SS**Hα-helixtrans-66.8-40.1174.7-71.7-175.4177.9-175.10111.6R44 N45 K52R44-K48 PolarHBondContact O-N 2.77Å; N45-K48 PolarHBondContact O-N 3.38Å; N45-K48 VanDerWaalsContact O-N 3.07Å; K48-K52 PolarHBondContact O-N 3Å; K48-K52 VanDerWaalsContact O-N 3.12Å
49T65.3Low63.3Low77 Ų77136 Ų13647%0.47263%0.632SS.*Hα-helixtrans-67-43176.3-42.40000111.3N45 R46 K51 K52 L53N45-T49 PolarHBondContact O-N 3.3Å; N45-T49 PolarHBondContact O-OG1 2.96Å; R46-T49 PolarHBondContact O-N 3.36Å; T49-K51 PolarHBondContact O-N 2.91Å; T49-K52 WeakPolarHBondContact O-CB 3.46Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-K52 VanDerWaalsContact O-N 3.1Å; T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 HydrophobicContact CG2-CG 4.46Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.44Å; T49-L53 PolarHBondContact O-N 2.65Å
50L59.5Low63.1Low101 Ų101135.4 Ų135.453%0.52962%0.621SS.*Hα-helixtrans-60.6-42.8175.9-83.8159000112.6R46 K52 L53 E54R46-L50 HydrophobicContact CG-CD1 4.5Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.4Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.04Å; L50-L53 PolarHBondContact O-N 2.87Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L50-E54 PolarHBondContact O-N 3.34Å
51K70.9Confident62.2Low156 Ų156130.9 Ų130.968%0.67861%0.608SS**Hα-helixtrans-63.7-30.8173-79.6-168.7170.7-163.80113.7K47 T49K47-K51 PolarHBondContact O-N 3.28Å; K47-K51 VanDerWaalsContact O-N 3.12Å; T49-K51 PolarHBondContact O-N 2.91Å
52K63.7Low60.6Low166 Ų166130 Ų13072%0.72260%0.603SS**Hα-helixtrans-74-30.2172.6-76.5-173.5175.4-169.30112.3K48 T49 L50K48-K52 PolarHBondContact O-N 3Å; K48-K52 VanDerWaalsContact O-N 3.12Å; T49-K52 WeakPolarHBondContact O-CB 3.46Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-K52 VanDerWaalsContact O-N 3.1Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.04Å
53L51.9Low60.2Low92 Ų92127.8 Ų127.848%0.48260%0.598SS.*Hα-helixtrans-80.2-23.2178.7-68.3169.6000112.9T49 L50 N55 I56T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 HydrophobicContact CG2-CG 4.46Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.44Å; T49-L53 PolarHBondContact O-N 2.65Å; L50-L53 PolarHBondContact O-N 2.87Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L53-N55 PolarHBondContact O-N 3.33Å; L53-I56 HydrophobicContact CD2-CD1 3.56Å; L53-I56 PolarHBondContact O-N 2.65Å; L53-I56 VanDerWaalsContact O-N 3.09Å
54E55.6Low59.6Low153 Ų153125.8 Ų125.872%0.71560%0.595SS**THydrogen-bonded Turntrans-60.9-24172.7-82.6172.4166.800113L50L50-E54 PolarHBondContact O-N 3.34Å
55N58.1Low58.3Low145 Ų145123.3 Ų123.378%0.77559%0.587SS**THydrogen-bonded Turntrans-90.41.4176.5-74.5-10.5000113.9L53L53-N55 PolarHBondContact O-N 3.33Å
56I49Very low57.2Low85 Ų85125 Ų12544%0.43660%0.595SS.*SBendtrans-90.3110.4175.2-58.2-173.8000107.5L53 F58 V61L53-I56 HydrophobicContact CD2-CD1 3.56Å; L53-I56 PolarHBondContact O-N 2.65Å; L53-I56 VanDerWaalsContact O-N 3.09Å; I56-F58 VanDerWaalsContact C-N 3.26Å; I56-F58 PolarHBondContact O-N 3.35Å; I56-V61 HydrophobicContact CG2-CG2 3.46Å; I56-V61 VanDerWaalsContact CG2-CG2 3.46Å
57Q53Low56.9Low137 Ų137120.1 Ų120.164%0.6460%0.595SS**  trans-62.592.1169.5-73.3-171.6-13.200108.7L59 N60 V61Q57-L59 PolarHBondContact O-N 2.86Å; Q57-L59 VanDerWaalsContact O-N 3.1Å; Q57-N60 HydrophobicContact CB-CB 4.48Å; Q57-N60 PolarHBondContact O-N 2.89Å; Q57-N60 PolarHBondContact OE1-ND2 3.39Å; Q57-V61 PolarHBondContact O-N 2.96Å
58F43.6Very low55.6Low157 Ų157116.5 Ų116.569%0.68959%0.591SS**Hα-helixtrans-50.2-35.7-175.6-177.6-102.3000112.3I56 N60 V61 C62I56-F58 VanDerWaalsContact C-N 3.26Å; I56-F58 PolarHBondContact O-N 3.35Å; F58-N60 PolarHBondContact O-N 2.95Å; F58-V61 PolarHBondContact O-N 3.42Å; F58-C62 VanDerWaalsContact CE1-SG 3.56Å; F58-C62 PolarHBondContact O-N 2.91Å; F58-C62 PolarHBondContact O-SG 3.5Å; F58-C62 VanDerWaalsContact O-SG 3.35Å
59L49.4Very low53.8Low129 Ų129116.1 Ų116.168%0.67559%0.589SS**Hα-helixtrans-56.6-47.6173.9-83.4150.1000112.9Q57 V61 C62 D63Q57-L59 PolarHBondContact O-N 2.86Å; Q57-L59 VanDerWaalsContact O-N 3.1Å; L59-V61 VanDerWaalsContact C-N 3.27Å; L59-V61 PolarHBondContact O-N 3.4Å; L59-C62 WeakPolarHBondContact O-CB 3.46Å; L59-C62 PolarHBondContact O-N 3.09Å; L59-D63 PolarHBondContact O-N 3.31Å
60N56.6Low52.6Low87 Ų87117.1 Ų117.147%0.46560%0.6SS.*Hα-helixtrans-68.6-26.5-180-67.7-13.6000113Q57 F58 K64Q57-N60 HydrophobicContact CB-CB 4.48Å; Q57-N60 PolarHBondContact O-N 2.89Å; Q57-N60 PolarHBondContact OE1-ND2 3.39Å; F58-N60 PolarHBondContact O-N 2.95Å; N60-K64 WeakPolarHBondContact O-CB 3.25Å; N60-K64 WeakPolarHBondContact O-CG 3.34Å; N60-K64 PolarHBondContact O-N 3.43Å
61V53Low51.7Low78 Ų78123.6 Ų123.647%0.47362%0.617SS.*Hα-helixtrans-77.6-37.8175.1179.40000110.5I56 Q57 F58 L59 Y65I56-V61 HydrophobicContact CG2-CG2 3.46Å; I56-V61 VanDerWaalsContact CG2-CG2 3.46Å; Q57-V61 PolarHBondContact O-N 2.96Å; F58-V61 PolarHBondContact O-N 3.42Å; L59-V61 VanDerWaalsContact C-N 3.27Å; L59-V61 PolarHBondContact O-N 3.4Å; V61-Y65 VanDerWaalsContact O-CB 3.3Å; V61-Y65 WeakPolarHBondContact O-CB 3.48Å; V61-Y65 PolarHBondContact O-N 3.45Å
62C40.4Very low50.2Low44 Ų44121.6 Ų121.630%0.29762%0.617SS.*Hα-helixtrans-63.8-44.5172.3-720000111.7F58 L59 Y65 L66F58-C62 VanDerWaalsContact CE1-SG 3.56Å; F58-C62 PolarHBondContact O-N 2.91Å; F58-C62 PolarHBondContact O-SG 3.5Å; F58-C62 VanDerWaalsContact O-SG 3.35Å; L59-C62 WeakPolarHBondContact O-CB 3.46Å; L59-C62 PolarHBondContact O-N 3.09Å; C62-Y65 PolarHBondContact O-N 3.42Å; C62-Y65 VanDerWaalsContact O-N 3.15Å; C62-L66 WeakPolarHBondContact O-CB 3.17Å; C62-L66 VanDerWaalsContact O-CG 3.3Å; C62-L66 WeakPolarHBondContact O-CG 3.39Å; C62-L66 PolarHBondContact O-N 2.99Å
63D56.4Low48.9Very low93 Ų93120.3 Ų120.350%0.49762%0.618SS.*Hα-helixtrans-65.9-40.7179.3-69.9-20.4000112L59 Y65 L66 A67L59-D63 PolarHBondContact O-N 3.31Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-Y65 PolarHBondContact O-N 2.7Å; D63-L66 PolarHBondContact O-N 3.19Å; D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.02Å
64K59.1Low48Very low163 Ų163121 Ų12171%0.70963%0.628SS**Hα-helixtrans-65.1-34.3171.8-79.1-176.3177.4-177.50112.9N60 S68N60-K64 WeakPolarHBondContact O-CB 3.25Å; N60-K64 WeakPolarHBondContact O-CG 3.34Å; N60-K64 PolarHBondContact O-N 3.43Å; K64-S68 WeakPolarHBondContact O-CB 3.39Å; K64-S68 PolarHBondContact O-N 2.94Å; K64-S68 PolarHBondContact O-OG 3.46Å
65Y48.5Very low46.9Very low146 Ų146122.8 Ų122.857%0.57363%0.633SS**Hα-helixtrans-73.1-37.9177.2-173.3-96.7000112.3V61 C62 D63 S68 K69V61-Y65 VanDerWaalsContact O-CB 3.3Å; V61-Y65 WeakPolarHBondContact O-CB 3.48Å; V61-Y65 PolarHBondContact O-N 3.45Å; C62-Y65 PolarHBondContact O-N 3.42Å; C62-Y65 VanDerWaalsContact O-N 3.15Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-Y65 PolarHBondContact O-N 2.7Å; Y65-S68 WeakPolarHBondContact CA-OG 3.45Å; Y65-S68 PolarHBondContact O-OG 2.85Å; Y65-K69 PolarHBondContact O-N 2.72Å
66L51.3Low45.4Very low120 Ų120121.2 Ų121.263%0.62863%0.628SS**Hα-helixtrans-71.7-37.1175.4-69.6171.1000111.7C62 D63C62-L66 WeakPolarHBondContact O-CB 3.17Å; C62-L66 VanDerWaalsContact O-CG 3.3Å; C62-L66 WeakPolarHBondContact O-CG 3.39Å; C62-L66 PolarHBondContact O-N 2.99Å; D63-L66 PolarHBondContact O-N 3.19Å
67A59.1Low44.6Very low87 Ų87124.2 Ų124.272%0.71965%0.645SS**Hα-helixtrans-74.2-26.7175.600000113.8D63D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.02Å
68S46.5Very low43.5Very low88 Ų88122.9 Ų122.962%0.61565%0.648SS**Hα-helixtrans-89.1-11178.157.60000114.2K64 Y65 S70K64-S68 WeakPolarHBondContact O-CB 3.39Å; K64-S68 PolarHBondContact O-N 2.94Å; K64-S68 PolarHBondContact O-OG 3.46Å; Y65-S68 WeakPolarHBondContact CA-OG 3.45Å; Y65-S68 PolarHBondContact O-OG 2.85Å; S68-S70 PolarHBondContact O-N 3.19Å
69K39.3Very low43Very low135 Ų135123.1 Ų123.159%0.58765%0.651SS**SBendtrans-71.788.5161.1-95.4-169.1173.5-176.30108.5Y65 R71Y65-K69 PolarHBondContact O-N 2.72Å; K69-R71 PolarHBondContact O-N 3.38Å
70S40.2Very low42.4Very low98 Ų98123.4 Ų123.469%0.68565%0.652SS**  trans-34.3127.5152.3173.10000108.1S68 V72S68-S70 PolarHBondContact O-N 3.19Å; S70-V72 PolarHBondContact O-N 3.03Å
71R40.4Very low41.5Very low236 Ų236126 Ų12689%0.89167%0.665SS**  trans-48.394.3173.4-80.7177.4170.1179.4-3.6107.2K69 L73K69-R71 PolarHBondContact O-N 3.38Å; R71-L73 PolarHBondContact O-N 3.34Å
72V39.3Very low41Very low114 Ų114125.4 Ų125.469%0.69166%0.663SS**  trans-63.6102.8163.4178.70000101.6S70S70-V72 PolarHBondContact O-N 3.03Å
73L35.8Very low41.3Very low139 Ų139129.3 Ų129.373%0.72868%0.676SS**  trans-37.8136.7165.4-91.6110.3000106.4R71 K75R71-L73 PolarHBondContact O-N 3.34Å; L73-K75 PolarHBondContact O-N 3.37Å
74P32.9Very low41.1Very low107 Ų107132.9 Ų132.970%0.69569%0.688SS**  trans-45.9119.6173.523.1-31.9000105.1V76P74-V76 PolarHBondContact O-N 3.07Å
75K32.4Very low41.2Very low191 Ų191126 Ų12683%0.8366%0.661SS**  trans-55.4101.1173-98.3-176.6173.4-176.50102.8L73 L77L73-K75 PolarHBondContact O-N 3.37Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 3.3Å
76V28.3Very low42Very low111 Ų111124.6 Ų124.667%0.67367%0.672SS**  trans-52.1111173.3178.30000101.2P74P74-V76 PolarHBondContact O-N 3.07Å
77L31.8Very low43.5Very low149 Ų149121.7 Ų121.778%0.7866%0.657SS**  trans-43.5135.3161.4-81.4160000104.6K75 E79K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 3.3Å; L77-E79 PolarHBondContact O-N 3.05Å
78P29.7Very low44.8Very low109 Ų109121.4 Ų121.471%0.70865%0.648SS**  trans-44.1122.5177.7-16.424.7000105.9I80P78-I80 PolarHBondContact O-N 2.92Å
79E33.6Very low46.8Very low162 Ų162124.3 Ų124.376%0.75765%0.652SS**  trans-43.9120.6165.8-104175.9169.800103.5L77 L81L77-E79 PolarHBondContact O-N 3.05Å; E79-L81 PolarHBondContact O-N 3.49Å
80I34.9Very low49.1Very low134 Ų134118.9 Ų118.969%0.68763%0.629SS**  trans-60.890.4178.7-61.7165.7000102.6P78 P82P78-I80 PolarHBondContact O-N 2.92Å; I80-P82 WeakPolarHBondContact O-CD 3.11Å
81L37.9Very low51.4Low143 Ų143116.9 Ų116.975%0.74961%0.61SS**  trans-61.7114.6176-83.4165000102E79 Q83E79-L81 PolarHBondContact O-N 3.49Å; L81-Q83 PolarHBondContact O-N 3.05Å
82P43.3Very low53.8Low64 Ų64111.1 Ų111.142%0.41660%0.597SS.*  trans-54.1122.9160.4-6.521.2000102.9I80 F84I80-P82 WeakPolarHBondContact O-CD 3.11Å; P82-F84 HydrophobicContact CB-CD2 4.45Å; P82-F84 PolarHBondContact O-N 2.74Å
83Q45.7Very low56.3Low126 Ų126109 Ų10959%0.58958%0.579SS**  trans-59.696.8158.8-93.5165.6-50.400104.1L81 C85 V271 I272L81-Q83 PolarHBondContact O-N 3.05Å; Q83-C85 VanDerWaalsContact C-N 3.34Å; Q83-C85 PolarHBondContact O-N 3.11Å; Q83-V271 VanDerWaalsContact CB-O 3.23Å; Q83-V271 WeakPolarHBondContact CB-O 3.21Å; Q83-I272 VanDerWaalsContact CD-O 3.23Å; Q83-I272 PolarHBondContact NE2-O 2.95Å; Q83-I272 PolarHBondContact OE1-O 3.48Å
84F52.5Low59Low168 Ų168102.4 Ų102.474%0.73754%0.544SS*.  trans-67.6103.4-176.3-138.5-88.4000103.9P82 S86P82-F84 HydrophobicContact CB-CD2 4.45Å; P82-F84 PolarHBondContact O-N 2.74Å; F84-S86 VanDerWaalsContact C-N 3.35Å; F84-S86 PolarHBondContact O-N 3.36Å
85C61.9Low61.8Low20 Ų2099.9 Ų99.914%0.13553%0.529CS..  trans-64.1106.8168.7-175.10000105.8Q83 N87 L91 V271Q83-C85 VanDerWaalsContact C-N 3.34Å; Q83-C85 PolarHBondContact O-N 3.11Å; C85-N87 PolarHBondContact O-N 3.43Å; C85-N87 VanDerWaalsContact O-N 3.12Å; C85-L91 HydrophobicContact CB-CD2 4.02Å; C85-L91 HydrophobicContact CB-CG 4.21Å; C85-L91 WeakPolarHBondContact O-CD1 3.36Å; C85-V271 HydrophobicContact CB-CB 3.73Å; C85-V271 HydrophobicContact CB-CG1 4Å; C85-V271 HydrophobicContact CB-CG2 3.76Å
86S66.3Low64.7Low115 Ų11593.1 Ų93.180%0.80451%0.509SS*.  trans-68.3-7.3179.5-34.60000112.4F84 P88F84-S86 VanDerWaalsContact C-N 3.35Å; F84-S86 PolarHBondContact O-N 3.36Å; S86-P88 VanDerWaalsContact O-CD 3.24Å; S86-P88 WeakPolarHBondContact O-CD 3.31Å
87N82.6Confident67.9Low59 Ų5988.7 Ų88.732%0.31648%0.48SS..  trans-90.9106-177.7-171.7-24.2000110.5C85 E89 I90 L91C85-N87 PolarHBondContact O-N 3.43Å; C85-N87 VanDerWaalsContact O-N 3.12Å; N87-E89 VanDerWaalsContact C-N 3.27Å; N87-E89 PolarHBondContact O-N 3.13Å; N87-E89 WeakPolarHBondContact OD1-CB 3.46Å; N87-E89 PolarHBondContact OD1-N 2.92Å; N87-I90 HydrophobicContact CB-CB 4.27Å; N87-I90 HydrophobicContact CB-CD1 3.94Å; N87-I90 HydrophobicContact CB-CG1 4.09Å; N87-I90 PolarHBondContact O-N 2.82Å; N87-I90 PolarHBondContact OD1-N 3.37Å; N87-L91 PolarHBondContact O-N 3.47Å
88P86Confident70.9Confident81 Ų8182 Ų8253%0.52645%0.445SS..Hα-helixtrans-66.6-27.2-179.228.9-35.7000112.9S86 L91 N92S86-P88 VanDerWaalsContact O-CD 3.24Å; S86-P88 WeakPolarHBondContact O-CD 3.31Å; P88-L91 PolarHBondContact O-N 3.25Å; P88-N92 WeakPolarHBondContact O-CB 3.48Å; P88-N92 PolarHBondContact O-N 3.03Å; P88-N92 PolarHBondContact O-ND2 3.47Å
89E88.2Confident73.9Confident150 Ų15079.4 Ų79.470%0.70143%0.426SS*.Hα-helixtrans-66.6-43.5178.8-59.5-179.6171.700110.8N87 N92 F93N87-E89 VanDerWaalsContact C-N 3.27Å; N87-E89 PolarHBondContact O-N 3.13Å; N87-E89 WeakPolarHBondContact OD1-CB 3.46Å; N87-E89 PolarHBondContact OD1-N 2.92Å; E89-N92 PolarHBondContact O-N 3Å; E89-F93 WeakPolarHBondContact O-CB 3.34Å; E89-F93 PolarHBondContact O-N 3.48Å
90I88Confident76.9Confident20 Ų2076 Ų7610%0.10341%0.413CS..Hα-helixtrans-63.3-47175.9-64.5178000109.6N87 N92 F93 L94 S274 V279N87-I90 HydrophobicContact CB-CB 4.27Å; N87-I90 HydrophobicContact CB-CD1 3.94Å; N87-I90 HydrophobicContact CB-CG1 4.09Å; N87-I90 PolarHBondContact O-N 2.82Å; N87-I90 PolarHBondContact OD1-N 3.37Å; I90-N92 VanDerWaalsContact C-N 3.35Å; I90-N92 PolarHBondContact O-N 3.2Å; I90-F93 PolarHBondContact O-N 3.26Å; I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.09Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 VanDerWaalsContact O-CG 3.23Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 2.81Å; I90-S274 WeakPolarHBondContact CD1-OG 3.25Å; I90-V279 HydrophobicContact CG2-CG1 4.41Å
91L87.4Confident79.8Confident57 Ų5769.9 Ų69.930%0.29838%0.381SS..Hα-helixtrans-60.5-42.9178.9-70.2177.2000112.5C85 N87 P88 L94 S95 L269 V271C85-L91 HydrophobicContact CB-CD2 4.02Å; C85-L91 HydrophobicContact CB-CG 4.21Å; C85-L91 WeakPolarHBondContact O-CD1 3.36Å; N87-L91 PolarHBondContact O-N 3.47Å; P88-L91 PolarHBondContact O-N 3.25Å; L91-L94 PolarHBondContact O-N 2.74Å; L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.3Å; L91-L269 HydrophobicContact CD2-CD2 4.45Å; L91-V271 HydrophobicContact CD2-CG2 3.96Å
92N90.3Very high82.5Confident114 Ų11463.1 Ų63.161%0.6135%0.346SS*.Hα-helixtrans-63.6-45.1176.4-74-23.1000111.8P88 E89 I90 S95 A96P88-N92 WeakPolarHBondContact O-CB 3.48Å; P88-N92 PolarHBondContact O-N 3.03Å; P88-N92 PolarHBondContact O-ND2 3.47Å; E89-N92 PolarHBondContact O-N 3Å; I90-N92 VanDerWaalsContact C-N 3.35Å; I90-N92 PolarHBondContact O-N 3.2Å; N92-S95 PolarHBondContact O-N 2.93Å; N92-A96 WeakPolarHBondContact O-CB 3.41Å; N92-A96 PolarHBondContact O-N 3.42Å
93F92Very high84.9Confident71 Ų7163.3 Ų63.331%0.31134%0.343SS..Hα-helixtrans-58.5-49.9175.3164.9-104.3000111.7E89 I90 A96 F97 Q329E89-F93 WeakPolarHBondContact O-CB 3.34Å; E89-F93 PolarHBondContact O-N 3.48Å; I90-F93 PolarHBondContact O-N 3.26Å; F93-A96 PolarHBondContact O-N 3.42Å; F93-F97 VanDerWaalsContact O-CB 3.26Å; F93-F97 WeakPolarHBondContact O-CB 3.45Å; F93-F97 PolarHBondContact O-N 3.48Å; F93-Q329 WeakPolarHBondContact CZ-O 3.16Å
94L93Very high87.3Confident0 Ų058.3 Ų58.30%032%0.321CS..Hα-helixtrans-66.9-39.7-178.8-64.4178.3000112I90 L91 F97 V98 L269 V271 V279 M281 L327I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.09Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 VanDerWaalsContact O-CG 3.23Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 2.81Å; L91-L94 PolarHBondContact O-N 2.74Å; L94-F97 WeakPolarHBondContact O-CB 3.48Å; L94-F97 PolarHBondContact O-N 2.88Å; L94-V98 WeakPolarHBondContact O-CB 3.2Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.16Å; L94-L269 HydrophobicContact CB-CD1 4Å; L94-L269 HydrophobicContact CB-CD2 4.17Å; L94-L269 HydrophobicContact CD1-CD2 4.11Å; L94-V271 HydrophobicContact CD1-CG2 3.5Å; L94-V271 VanDerWaalsContact CD1-CG2 3.5Å; L94-V279 HydrophobicContact CD1-CG1 3.93Å; L94-V279 HydrophobicContact CD2-CG1 4.2Å; L94-M281 HydrophobicContact CB-SD 4.1Å; L94-M281 HydrophobicContact CD1-CB 4.33Å; L94-M281 HydrophobicContact CD1-SD 4.12Å; L94-M281 HydrophobicContact CD2-SD 3.74Å; L94-M281 HydrophobicContact CG-SD 4.19Å; L94-L327 HydrophobicContact CD2-CD1 4.37Å
95S91.9Very high89.3Confident53 Ų5350.3 Ų50.337%0.37129%0.286SS..Hα-helixtrans-62.1-46.8175.7-179.10000111.4L91 N92 F97 V98 N99L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.3Å; N92-S95 PolarHBondContact O-N 2.93Å; S95-F97 VanDerWaalsContact C-N 3.35Å; S95-F97 PolarHBondContact O-N 2.89Å; S95-V98 PolarHBondContact O-N 3.48Å; S95-N99 WeakPolarHBondContact O-CB 3.21Å; S95-N99 PolarHBondContact O-N 3.48Å; S95-N99 PolarHBondContact O-ND2 2.94Å
96A93.2Very high90.8Very high50 Ų5049.5 Ų49.541%0.41328%0.281SS..Hα-helixtrans-62.2-43.2175.400000111.7N92 F93 N100N92-A96 WeakPolarHBondContact O-CB 3.41Å; N92-A96 PolarHBondContact O-N 3.42Å; F93-A96 PolarHBondContact O-N 3.42Å; A96-N100 WeakPolarHBondContact O-CB 3.45Å; A96-N100 VanDerWaalsContact O-CG 3.26Å; A96-N100 PolarHBondContact O-N 3.38Å; A96-N100 PolarHBondContact O-ND2 3.02Å
97F95.3Very high92.1Very high17 Ų1745.9 Ų45.98%0.07525%0.253CS..Hα-helixtrans-58.1-53.2176.4173.5-87.5000111.8F93 L94 S95 N99 N100 Y101 F117 M281 L325 L327 G331 I333F93-F97 VanDerWaalsContact O-CB 3.26Å; F93-F97 WeakPolarHBondContact O-CB 3.45Å; F93-F97 PolarHBondContact O-N 3.48Å; L94-F97 WeakPolarHBondContact O-CB 3.48Å; L94-F97 PolarHBondContact O-N 2.88Å; S95-F97 VanDerWaalsContact C-N 3.35Å; S95-F97 PolarHBondContact O-N 2.89Å; F97-N99 PolarHBondContact O-N 3.48Å; F97-N100 PolarHBondContact O-N 3.34Å; F97-Y101 WeakPolarHBondContact O-CB 3.44Å; F97-Y101 PolarHBondContact O-N 3.27Å; F97-F117 HydrophobicContact CD2-CD1 4.29Å; F97-F117 AromaticContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CE1 4.35Å; F97-F117 AromaticContact CZ-CD1 3.92Å; F97-F117 HydrophobicContact CZ-CD1 3.92Å; F97-M281 HydrophobicContact CD1-CE 3.96Å; F97-M281 HydrophobicContact CE1-CE 4.07Å; F97-L325 HydrophobicContact CE1-CD2 4.31Å; F97-L327 HydrophobicContact CD1-CD2 4.03Å; F97-L327 HydrophobicContact CD2-CD2 4.32Å; F97-L327 HydrophobicContact CE1-CD2 3.41Å; F97-L327 VanDerWaalsContact CE1-CD2 3.41Å; F97-L327 HydrophobicContact CE2-CD2 3.71Å; F97-L327 HydrophobicContact CG-CD2 4.46Å; F97-L327 HydrophobicContact CZ-CD2 3.24Å; F97-G331 WeakPolarHBondContact CE2-O 3.48Å; F97-I333 HydrophobicContact CE1-CD1 4.49Å; F97-I333 HydrophobicContact CE1-CG1 4.46Å; F97-I333 HydrophobicContact CZ-CD1 3.85Å; F97-I333 HydrophobicContact CZ-CG1 3.72Å
98V94.5Very high92.3Very high8 Ų848.3 Ų48.35%0.04826%0.261CS..Hα-helixtrans-61.2-46-178.4169.10000110.6L94 S95 N100 Y101 I102 L269 M281 Y283L94-V98 WeakPolarHBondContact O-CB 3.2Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.16Å; S95-V98 PolarHBondContact O-N 3.48Å; V98-N100 VanDerWaalsContact C-N 3.34Å; V98-N100 PolarHBondContact O-N 3.43Å; V98-Y101 PolarHBondContact O-N 3.19Å; V98-I102 HydrophobicContact CG1-CG1 4.1Å; V98-I102 WeakPolarHBondContact O-CB 3.35Å; V98-I102 VanDerWaalsContact O-CG1 3.26Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.33Å; V98-L269 HydrophobicContact CB-CD1 4.4Å; V98-L269 HydrophobicContact CG2-CD1 3.84Å; V98-M281 HydrophobicContact CG2-CE 3.28Å; V98-M281 HydrophobicContact CG2-SD 4.1Å; V98-Y283 HydrophobicContact CG1-CD1 4.05Å; V98-Y283 HydrophobicContact CG1-CD2 3.67Å; V98-Y283 HydrophobicContact CG1-CE1 4Å; V98-Y283 HydrophobicContact CG1-CE2 3.65Å; V98-Y283 HydrophobicContact CG1-CG 3.87Å
99N93.6Very high92.4Very high56 Ų5649.4 Ų49.430%0.29926%0.259SS..Hα-helixtrans-60.7-43.7179.1-77.6-49.9000111.9S95 F97 N103S95-N99 WeakPolarHBondContact O-CB 3.21Å; S95-N99 PolarHBondContact O-N 3.48Å; S95-N99 PolarHBondContact O-ND2 2.94Å; F97-N99 PolarHBondContact O-N 3.48Å; N99-N103 VanDerWaalsContact O-CB 3.29Å; N99-N103 WeakPolarHBondContact O-CB 3.18Å; N99-N103 PolarHBondContact O-N 2.89Å; N99-N103 PolarHBondContact O-ND2 2.89Å; N99-N103 VanDerWaalsContact O-ND2 3.07Å
100N95.2Very high92.6Very high91 Ų9145.2 Ų45.249%0.48724%0.242SC..Hα-helixtrans-65-43.8176.3-73-18.4000112.2A96 F97 V98 N103 V104 F117A96-N100 WeakPolarHBondContact O-CB 3.45Å; A96-N100 VanDerWaalsContact O-CG 3.26Å; A96-N100 PolarHBondContact O-N 3.38Å; A96-N100 PolarHBondContact O-ND2 3.02Å; F97-N100 PolarHBondContact O-N 3.34Å; V98-N100 VanDerWaalsContact C-N 3.34Å; V98-N100 PolarHBondContact O-N 3.43Å; N100-N103 WeakPolarHBondContact O-CB 3.38Å; N100-N103 PolarHBondContact O-N 2.88Å; N100-V104 WeakPolarHBondContact O-CG2 3.29Å; N100-V104 PolarHBondContact O-N 3.49Å; N100-V104 VanDerWaalsContact O-N 3.15Å; N100-F117 HydrophobicContact CB-CE1 4.24Å; N100-F117 HydrophobicContact CB-CZ 4.28Å
101Y96.3Very high92.8Very high4 Ų444.3 Ų44.32%0.01624%0.237CC..Hα-helixtrans-60.6-48177.5177.8-89.8000111.5F97 V98 V104 F105 L114 F117 Y118 R323 I333F97-Y101 WeakPolarHBondContact O-CB 3.44Å; F97-Y101 PolarHBondContact O-N 3.27Å; V98-Y101 PolarHBondContact O-N 3.19Å; Y101-V104 PolarHBondContact O-N 2.84Å; Y101-F105 WeakPolarHBondContact O-CB 3.36Å; Y101-F105 PolarHBondContact O-N 3.42Å; Y101-L114 HydrophobicContact CD2-CD2 3.96Å; Y101-L114 HydrophobicContact CE2-CD2 3.71Å; Y101-F117 HydrophobicContact CD2-CB 4.01Å; Y101-F117 AromaticContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD2 4.37Å; Y101-F117 HydrophobicContact CD2-CE1 4.39Å; Y101-F117 AromaticContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CE2-CB 4.4Å; Y101-F117 HydrophobicContact CG-CD1 4.43Å; Y101-Y118 HydrophobicContact CE2-CE2 4.05Å; Y101-Y118 PolarHBondContact OH-OH 3.16Å; Y101-R323 PolarHBondContact OH-NH1 2.77Å; Y101-I333 HydrophobicContact CD2-CD1 4.19Å; Y101-I333 HydrophobicContact CE2-CD1 3.93Å
102I95.4Very high92.9Very high1 Ų148.1 Ų48.11%0.00525%0.247CC..Hα-helixtrans-67.4-38.5179.4-65.5-60.2000111.7V98 V104 F105 D106 H260 Y283V98-I102 HydrophobicContact CG1-CG1 4.1Å; V98-I102 WeakPolarHBondContact O-CB 3.35Å; V98-I102 VanDerWaalsContact O-CG1 3.26Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.33Å; I102-V104 VanDerWaalsContact C-N 3.27Å; I102-V104 PolarHBondContact O-N 2.99Å; I102-F105 PolarHBondContact O-N 3.24Å; I102-F105 VanDerWaalsContact O-N 3.14Å; I102-D106 WeakPolarHBondContact CG2-OD2 3.36Å; I102-D106 WeakPolarHBondContact O-CB 3.35Å; I102-D106 VanDerWaalsContact O-CG 3.25Å; I102-D106 PolarHBondContact O-N 3.5Å; I102-H260 HydrophobicContact CG2-CB 3.58Å; I102-Y283 HydrophobicContact CD1-CE1 3.92Å; I102-Y283 HydrophobicContact CG1-CE1 4Å
103N93.6Very high93Very high68 Ų6847.7 Ų47.736%0.36424%0.24SC..Hα-helixtrans-54.2-43.8172-82.3-32.9000112.4N99 N100 R262N99-N103 VanDerWaalsContact O-CB 3.29Å; N99-N103 WeakPolarHBondContact O-CB 3.18Å; N99-N103 PolarHBondContact O-N 2.89Å; N99-N103 PolarHBondContact O-ND2 2.89Å; N99-N103 VanDerWaalsContact O-ND2 3.07Å; N100-N103 WeakPolarHBondContact O-CB 3.38Å; N100-N103 PolarHBondContact O-N 2.88Å; N103-R262 PolarHBondContact OD1-NH1 3.34Å; N103-R262 PolarHBondContact OD1-NH2 2.56Å
104V95.1Very high93.1Very high21 Ų2144.3 Ų44.313%0.12723%0.225CC..Hα-helixtrans-72.9-37.4178176.60000111.1N100 Y101 I102 L110 K113 L114 F117N100-V104 WeakPolarHBondContact O-CG2 3.29Å; N100-V104 PolarHBondContact O-N 3.49Å; N100-V104 VanDerWaalsContact O-N 3.15Å; Y101-V104 PolarHBondContact O-N 2.84Å; I102-V104 VanDerWaalsContact C-N 3.27Å; I102-V104 PolarHBondContact O-N 2.99Å; V104-L110 HydrophobicContact CG1-CB 4.12Å; V104-L110 WeakPolarHBondContact CG1-O 3.41Å; V104-K113 HydrophobicContact CG1-CB 3.95Å; V104-L114 HydrophobicContact CB-CD2 4.02Å; V104-L114 HydrophobicContact CG1-CD2 3.66Å; V104-L114 HydrophobicContact CG1-CG 3.83Å; V104-F117 HydrophobicContact CB-CE2 4.39Å; V104-F117 HydrophobicContact CG2-CE2 4.07Å; V104-F117 HydrophobicContact CG2-CZ 4.21Å
105F95.3Very high93Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-68.4-44.9-178.3-173.2-84000113.2Y101 I102 V107 R111 L114 L252 L258 H260 W338Y101-F105 WeakPolarHBondContact O-CB 3.36Å; Y101-F105 PolarHBondContact O-N 3.42Å; I102-F105 PolarHBondContact O-N 3.24Å; I102-F105 VanDerWaalsContact O-N 3.14Å; F105-V107 PolarHBondContact O-N 3.47Å; F105-R111 PolarHBondContact O-NE 3.23Å; F105-L114 HydrophobicContact CB-CD2 4.38Å; F105-L114 HydrophobicContact CD2-CD1 3.78Å; F105-L114 HydrophobicContact CE2-CD1 4.45Å; F105-L252 HydrophobicContact CE2-CB 4.34Å; F105-L252 HydrophobicContact CE2-CD2 4.11Å; F105-L258 HydrophobicContact CE1-CB 4.24Å; F105-L258 HydrophobicContact CE1-CD1 4.24Å; F105-H260 AromaticContact CD1-CE1 3.55Å; F105-H260 AromaticContact CE1-CE1 3.87Å; F105-W338 HydrophobicContact CE1-CH2 4.08Å; F105-W338 AromaticContact CE2-CH2 3.71Å; F105-W338 HydrophobicContact CE2-CH2 3.71Å; F105-W338 AromaticContact CE2-CZ3 3.78Å; F105-W338 HydrophobicContact CE2-CZ3 3.78Å; F105-W338 AromaticContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CZ2 4.32Å; F105-W338 AromaticContact CZ-CZ3 3.91Å; F105-W338 HydrophobicContact CZ-CZ3 3.91Å
106D94.4Very high93.1Very high4 Ų449.7 Ų49.72%0.02125%0.249CC..Hα-helixtrans-64.6-28.8-175.6-69.3-9.5000111.8I102 H260 R262 F362I102-D106 WeakPolarHBondContact CG2-OD2 3.36Å; I102-D106 WeakPolarHBondContact O-CB 3.35Å; I102-D106 VanDerWaalsContact O-CG 3.25Å; I102-D106 PolarHBondContact O-N 3.5Å; D106-H260 IonicContact OD1-CE1 3Å; D106-H260 PolarHBondContact OD1-CE1 3.21Å; D106-H260 IonicContact OD1-CG 3.09Å; D106-H260 IonicContact OD1-ND1 3.15Å; D106-H260 PolarHBondContact OD1-ND1 3.09Å; D106-H260 PolarHBondContact OD2-N 3.13Å; D106-R262 IonicContact OD2-NH2 3.48Å; D106-R262 PolarHBondContact OD2-NH2 2.86Å; D106-F362 HydrophobicContact CB-CD2 4.47Å; D106-F362 HydrophobicContact CB-CE2 3.76Å; D106-F362 HydrophobicContact CB-CZ 4.43Å; D106-F362 VanDerWaalsContact O-CZ 3.31Å; D106-F362 WeakPolarHBondContact O-CZ 3.24Å
107V91.8Very high93.3Very high38 Ų3848.6 Ų48.623%0.2324%0.235CC..SBendtrans-95.2101.1177.6-1740000109.8F105 Q109 L110 R111 F362F105-V107 PolarHBondContact O-N 3.47Å; V107-Q109 PolarHBondContact O-N 3.25Å; V107-Q109 VanDerWaalsContact O-N 3.07Å; V107-L110 HydrophobicContact CB-CB 4.14Å; V107-L110 HydrophobicContact CB-CD1 3.9Å; V107-L110 HydrophobicContact CB-CG 3.95Å; V107-L110 HydrophobicContact CG1-CB 4.32Å; V107-L110 HydrophobicContact CG1-CD1 4.03Å; V107-L110 HydrophobicContact CG1-CG 3.77Å; V107-L110 HydrophobicContact CG2-CD1 4.3Å; V107-L110 WeakPolarHBondContact O-CA 3.44Å; V107-L110 WeakPolarHBondContact O-CB 3.27Å; V107-L110 PolarHBondContact O-N 3.3Å; V107-R111 PolarHBondContact O-N 2.82Å; V107-F362 HydrophobicContact CG2-CE2 4.25Å
108K88Confident93.3Very high111 Ų11148 Ų4848%0.48323%0.232SC..G310 helixtrans-46.6-43-176.8-167.9178.3-162.6158.10114.1L110 R111 D257K108-L110 VanDerWaalsContact C-N 3.27Å; K108-L110 PolarHBondContact O-N 3.36Å; K108-R111 WeakPolarHBondContact O-CB 3.34Å; K108-R111 PolarHBondContact O-N 2.92Å; K108-D257 WeakPolarHBondContact CD-OD1 3.29Å; K108-D257 WeakPolarHBondContact CD-OD2 3.25Å; K108-D257 IonicContact NZ-OD2 3.07Å; K108-D257 PolarHBondContact NZ-OD2 3.27Å
109Q87.5Confident93.4Very high104 Ų10449.7 Ų49.749%0.48624%0.241SC..G310 helixtrans-63.8-31.5179.3-60.687.6-17.400112.5V107 D416V107-Q109 PolarHBondContact O-N 3.25Å; V107-Q109 VanDerWaalsContact O-N 3.07Å; Q109-D416 PolarHBondContact NE2-OD1 3.22Å
110L92.4Very high93.4Very high62 Ų6251.8 Ų51.833%0.32526%0.258SS..G310 helixtrans-83.6-13.9-179.8-62-175.7000113.2V104 V107 K108 R112 K113V104-L110 HydrophobicContact CG1-CB 4.12Å; V104-L110 WeakPolarHBondContact CG1-O 3.41Å; V107-L110 HydrophobicContact CB-CB 4.14Å; V107-L110 HydrophobicContact CB-CD1 3.9Å; V107-L110 HydrophobicContact CB-CG 3.95Å; V107-L110 HydrophobicContact CG1-CB 4.32Å; V107-L110 HydrophobicContact CG1-CD1 4.03Å; V107-L110 HydrophobicContact CG1-CG 3.77Å; V107-L110 HydrophobicContact CG2-CD1 4.3Å; V107-L110 WeakPolarHBondContact O-CA 3.44Å; V107-L110 WeakPolarHBondContact O-CB 3.27Å; V107-L110 PolarHBondContact O-N 3.3Å; K108-L110 VanDerWaalsContact C-N 3.27Å; K108-L110 PolarHBondContact O-N 3.36Å; L110-R112 PolarHBondContact O-N 3.06Å; L110-K113 HydrophobicContact CD2-CD 4.39Å; L110-K113 VanDerWaalsContact O-CB 3.32Å; L110-K113 WeakPolarHBondContact O-CB 3.28Å; L110-K113 PolarHBondContact O-N 2.96Å
111R92Very high93.3Very high0 Ų051.6 Ų51.60%026%0.264CS..G310 helixtrans-54.6-25.4-177.2-70.2-178178.4-179.8-1.9114.2F105 V107 K108 K113 L114 L249 L252 L255 P256 D257F105-R111 PolarHBondContact O-NE 3.23Å; V107-R111 PolarHBondContact O-N 2.82Å; K108-R111 WeakPolarHBondContact O-CB 3.34Å; K108-R111 PolarHBondContact O-N 2.92Å; R111-K113 PolarHBondContact O-N 3.37Å; R111-L114 HydrophobicContact CB-CD1 3.97Å; R111-L114 HydrophobicContact CG-CD1 4.08Å; R111-L114 WeakPolarHBondContact O-CB 3.42Å; R111-L114 VanDerWaalsContact O-CG 3.24Å; R111-L114 WeakPolarHBondContact O-CG 3.38Å; R111-L114 PolarHBondContact O-N 2.62Å; R111-L249 WeakPolarHBondContact O-CD1 3.47Å; R111-L252 PolarHBondContact NH1-O 2.81Å; R111-L255 PolarHBondContact NH1-O 2.69Å; R111-P256 PolarHBondContact NH2-O 3.21Å; R111-D257 IonicContact CZ-OD1 2.67Å; R111-D257 IonicContact NH1-OD1 3.6Å; R111-D257 IonicContact NH2-OD1 3.75Å; R111-D257 PolarHBondContact NH2-OD1 2.97Å
112R89.5Confident93.2Very high137 Ų13751.4 Ų51.452%0.51726%0.263SS..G310 helixtrans-57.1-30.3172.3-66.1-175-179.6176.60.6113L110 L114 S115 I232L110-R112 PolarHBondContact O-N 3.06Å; R112-L114 PolarHBondContact O-N 3.29Å; R112-S115 PolarHBondContact O-OG 2.85Å; R112-I232 HydrophobicContact CG-CD1 4.35Å
113K93.2Very high93Very high105 Ų10554 Ų5446%0.45727%0.273SS..G310 helixtrans-75.7-9176.7-58.4-175.3178.4-177.60113.1V104 L110 R111 S115 E116V104-K113 HydrophobicContact CG1-CB 3.95Å; L110-K113 HydrophobicContact CD2-CD 4.39Å; L110-K113 VanDerWaalsContact O-CB 3.32Å; L110-K113 WeakPolarHBondContact O-CB 3.28Å; L110-K113 PolarHBondContact O-N 2.96Å; R111-K113 PolarHBondContact O-N 3.37Å; K113-S115 PolarHBondContact O-N 3.26Å; K113-S115 VanDerWaalsContact O-N 3.17Å; K113-E116 VanDerWaalsContact O-CB 3.3Å; K113-E116 WeakPolarHBondContact O-CB 3.28Å; K113-E116 WeakPolarHBondContact O-CG 3.25Å; K113-E116 PolarHBondContact O-N 3.39Å
114L94Very high93Very high0 Ų050.8 Ų50.80%026%0.256CS..G310 helixtrans-60.8-25.9176.7-67.7169.9000112Y101 V104 F105 R111 R112 E116 F117 Y118 L249 L252Y101-L114 HydrophobicContact CD2-CD2 3.96Å; Y101-L114 HydrophobicContact CE2-CD2 3.71Å; V104-L114 HydrophobicContact CB-CD2 4.02Å; V104-L114 HydrophobicContact CG1-CD2 3.66Å; V104-L114 HydrophobicContact CG1-CG 3.83Å; F105-L114 HydrophobicContact CB-CD2 4.38Å; F105-L114 HydrophobicContact CD2-CD1 3.78Å; F105-L114 HydrophobicContact CE2-CD1 4.45Å; R111-L114 HydrophobicContact CB-CD1 3.97Å; R111-L114 HydrophobicContact CG-CD1 4.08Å; R111-L114 WeakPolarHBondContact O-CB 3.42Å; R111-L114 VanDerWaalsContact O-CG 3.24Å; R111-L114 WeakPolarHBondContact O-CG 3.38Å; R111-L114 PolarHBondContact O-N 2.62Å; R112-L114 PolarHBondContact O-N 3.29Å; L114-E116 PolarHBondContact O-N 3.19Å; L114-E116 VanDerWaalsContact O-N 3.1Å; L114-F117 HydrophobicContact CD2-CD2 4.47Å; L114-F117 WeakPolarHBondContact O-CB 3.34Å; L114-F117 PolarHBondContact O-N 3.07Å; L114-Y118 HydrophobicContact CB-CE2 4.45Å; L114-Y118 WeakPolarHBondContact O-CD2 3.36Å; L114-L249 HydrophobicContact CB-CD1 3.94Å; L114-L252 HydrophobicContact CB-CD1 4.24Å; L114-L252 HydrophobicContact CD1-CB 3.9Å; L114-L252 HydrophobicContact CD1-CD1 3.87Å; L114-L252 HydrophobicContact CD1-CG 4.47Å
115S91.2Very high92.7Very high43 Ų4350.1 Ų50.130%0.30125%0.252SS..G310 helixtrans-56.4-25.8173.954.80000113.3R112 K113 F117 Y118R112-S115 PolarHBondContact O-OG 2.85Å; K113-S115 PolarHBondContact O-N 3.26Å; K113-S115 VanDerWaalsContact O-N 3.17Å; S115-F117 PolarHBondContact O-N 2.85Å; S115-Y118 PolarHBondContact O-N 3.48Å
116E94.2Very high92.5Very high123 Ų12350.2 Ų50.258%0.57525%0.252SS*.G310 helixtrans-68.7-20.1176.8-61.2172.4-165.100112.6K113 L114 K332K113-E116 VanDerWaalsContact O-CB 3.3Å; K113-E116 WeakPolarHBondContact O-CB 3.28Å; K113-E116 WeakPolarHBondContact O-CG 3.25Å; K113-E116 PolarHBondContact O-N 3.39Å; L114-E116 PolarHBondContact O-N 3.19Å; L114-E116 VanDerWaalsContact O-N 3.1Å; E116-K332 PolarHBondContact O-NZ 2.89Å
117F96.5Very high92.2Very high28 Ų2851.8 Ų51.812%0.12326%0.259CS..G310 helixtrans-90.9-17.7-179.8-65.4-100.6000113.1F97 N100 Y101 V104 L114 S115 K332 I333F97-F117 HydrophobicContact CD2-CD1 4.29Å; F97-F117 AromaticContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CE1 4.35Å; F97-F117 AromaticContact CZ-CD1 3.92Å; F97-F117 HydrophobicContact CZ-CD1 3.92Å; N100-F117 HydrophobicContact CB-CE1 4.24Å; N100-F117 HydrophobicContact CB-CZ 4.28Å; Y101-F117 HydrophobicContact CD2-CB 4.01Å; Y101-F117 AromaticContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD2 4.37Å; Y101-F117 HydrophobicContact CD2-CE1 4.39Å; Y101-F117 AromaticContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CE2-CB 4.4Å; Y101-F117 HydrophobicContact CG-CD1 4.43Å; V104-F117 HydrophobicContact CB-CE2 4.39Å; V104-F117 HydrophobicContact CG2-CE2 4.07Å; V104-F117 HydrophobicContact CG2-CZ 4.21Å; L114-F117 HydrophobicContact CD2-CD2 4.47Å; L114-F117 WeakPolarHBondContact O-CB 3.34Å; L114-F117 PolarHBondContact O-N 3.07Å; S115-F117 PolarHBondContact O-N 2.85Å; F117-K332 CarbonylContact O-C 3.49Å; F117-K332 WeakPolarHBondContact O-CA 3.37Å; F117-I333 HydrophobicContact CB-CD1 4.21Å; F117-I333 PolarHBondContact O-N 3.4Å
118Y96.4Very high92.1Very high4 Ų450 Ų502%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-99.6147.1-176.5-68.5-85.1000112.1Y101 L114 S115 A122 V248 L252 I333 E336Y101-Y118 HydrophobicContact CE2-CE2 4.05Å; Y101-Y118 PolarHBondContact OH-OH 3.16Å; L114-Y118 HydrophobicContact CB-CE2 4.45Å; L114-Y118 WeakPolarHBondContact O-CD2 3.36Å; S115-Y118 PolarHBondContact O-N 3.48Å; Y118-A122 HydrophobicContact CD1-CB 3.77Å; Y118-A122 HydrophobicContact CG-CB 4.24Å; Y118-V248 HydrophobicContact CD1-CG1 3.76Å; Y118-V248 HydrophobicContact CD2-CG1 3.82Å; Y118-V248 HydrophobicContact CE1-CG1 3.55Å; Y118-V248 HydrophobicContact CE2-CG1 3.65Å; Y118-V248 HydrophobicContact CG-CG1 3.89Å; Y118-V248 VanDerWaalsContact CZ-CG1 3.5Å; Y118-L252 HydrophobicContact CE2-CD1 3.51Å; Y118-L252 VanDerWaalsContact OH-CD1 3.26Å; Y118-L252 WeakPolarHBondContact OH-CD1 3.49Å; Y118-I333 HydrophobicContact CD1-CB 3.61Å; Y118-I333 HydrophobicContact CD1-CD1 4.03Å; Y118-I333 HydrophobicContact CD1-CG1 4.41Å; Y118-I333 HydrophobicContact CD1-CG2 3.79Å; Y118-I333 HydrophobicContact CE1-CB 3.84Å; Y118-I333 HydrophobicContact CE1-CD1 3.59Å; Y118-I333 HydrophobicContact CE1-CG1 4.33Å; Y118-I333 HydrophobicContact CE1-CG2 3.68Å; Y118-I333 HydrophobicContact CE2-CD1 4.21Å; Y118-I333 HydrophobicContact CG-CB 4.38Å; Y118-E336 PolarHBondContact OH-OE2 3.5Å
119D95.9Very high92Very high43 Ų4345.2 Ų45.223%0.2323%0.229CC..EExtended strand (participates in β ladder)trans-67.7147.7163.8-170.9-90.8000110.4S121 A122 K332 I333 L334D119-S121 PolarHBondContact O-N 2.95Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 WeakPolarHBondContact OD1-CA 3.46Å; D119-S121 WeakPolarHBondContact OD1-CB 3.48Å; D119-S121 PolarHBondContact OD1-N 2.97Å; D119-S121 PolarHBondContact OD1-OG 3.23Å; D119-A122 HydrophobicContact CB-CB 4.39Å; D119-A122 WeakPolarHBondContact O-CB 3.19Å; D119-A122 PolarHBondContact O-N 3.42Å; D119-K332 HydrophobicContact CB-CB 4.45Å; D119-I333 WeakPolarHBondContact CB-O 3.45Å; D119-I333 PolarHBondContact N-O 3.17Å; D119-L334 HydrophobicContact CB-CD2 3.7Å
120P93.3Very high91.9Very high100 Ų10040.3 Ų40.365%0.64921%0.207SC*.EExtended strand (participates in β ladder)trans-55.7-26.8175-27.536.5000114.1G244 S245P120-G244 WeakPolarHBondContact O-CA 3.41Å; P120-S245 PolarHBondContact O-N 3.1Å
121S92.7Very high91.3Very high88 Ų8837.9 Ų37.962%0.61519%0.193SC*.EExtended strand (participates in β ladder)trans-958.8176.671.10000114.1D119D119-S121 PolarHBondContact O-N 2.95Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 WeakPolarHBondContact OD1-CA 3.46Å; D119-S121 WeakPolarHBondContact OD1-CB 3.48Å; D119-S121 PolarHBondContact OD1-N 2.97Å; D119-S121 PolarHBondContact OD1-OG 3.23Å
122A94.3Very high90.7Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-57151.7-172.700000113.8Y118 D119 G244 I333 L334Y118-A122 HydrophobicContact CD1-CB 3.77Å; Y118-A122 HydrophobicContact CG-CB 4.24Å; D119-A122 HydrophobicContact CB-CB 4.39Å; D119-A122 WeakPolarHBondContact O-CB 3.19Å; D119-A122 PolarHBondContact O-N 3.42Å; A122-G244 WeakPolarHBondContact O-CA 3.43Å; A122-G244 PolarHBondContact O-N 3.07Å; A122-I333 WeakPolarHBondContact CB-O 3.22Å; A122-L334 CarbonylContact C-O 3.57Å; A122-L334 VanDerWaalsContact CA-O 3.29Å; A122-L334 WeakPolarHBondContact CA-O 3.29Å
123Y91.6Very high90Very high55 Ų5536.2 Ų36.222%0.21620%0.2CC..EExtended strand (participates in β ladder)trans-125.3133.4-176.4178.9-96.3000110.6T125 E241 C242 R243 L334 Q335 E336Y123-T125 HydrophobicContact CD1-CG2 4.44Å; Y123-T125 HydrophobicContact CE1-CG2 3.41Å; Y123-T125 VanDerWaalsContact CE1-CG2 3.41Å; Y123-T125 WeakPolarHBondContact OH-CG2 3.12Å; Y123-E241 HydrophobicContact CD2-CB 4.48Å; Y123-E241 HydrophobicContact CE2-CB 3.48Å; Y123-E241 VanDerWaalsContact CE2-CB 3.48Å; Y123-E241 HydrophobicContact CE2-CG 3.73Å; Y123-E241 WeakPolarHBondContact OH-CB 3.38Å; Y123-E241 VanDerWaalsContact OH-CD 3.3Å; Y123-E241 PolarHBondContact OH-OE2 2.69Å; Y123-C242 WeakPolarHBondContact CA-O 3.42Å; Y123-R243 HydrophobicContact CD2-CG 3.99Å; Y123-R243 HydrophobicContact CE2-CG 4.33Å; Y123-L334 PolarHBondContact N-O 3.27Å; Y123-Q335 HydrophobicContact CD1-CG 4.03Å; Y123-Q335 CarbonylContact O-C 3.51Å; Y123-Q335 VanDerWaalsContact O-CA 3.29Å; Y123-Q335 WeakPolarHBondContact O-CA 3.45Å; Y123-E336 PolarHBondContact O-N 3.12Å
124L92.9Very high89Confident1 Ų133 Ų331%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-135128.9177.9-173162.5000112.5F126 C242 V248 L251 L252 E336L124-F126 HydrophobicContact CD2-CB 4.14Å; L124-C242 HydrophobicContact CB-CB 4.29Å; L124-C242 PolarHBondContact N-O 2.87Å; L124-C242 PolarHBondContact O-N 2.91Å; L124-V248 HydrophobicContact CB-CG1 4.37Å; L124-V248 HydrophobicContact CB-CG2 3.84Å; L124-V248 HydrophobicContact CD1-CG1 3.84Å; L124-L251 HydrophobicContact CD2-CD2 3.28Å; L124-L252 HydrophobicContact CD1-CD2 3.87Å; L124-L252 HydrophobicContact CD1-CG 4.33Å; L124-E336 VanDerWaalsContact CA-O 3.25Å; L124-E336 WeakPolarHBondContact CA-O 3.38Å; L124-E336 HydrophobicContact CD1-CB 4.4Å; L124-E336 WeakPolarHBondContact CD1-OE2 3.38Å; L124-E336 HydrophobicContact CG-CB 4.22Å
125T89.9Confident87.4Confident6 Ų638.6 Ų38.64%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-110.9137.1164.378.30000111.5Y123 E241 E336 D337 W338Y123-T125 HydrophobicContact CD1-CG2 4.44Å; Y123-T125 HydrophobicContact CE1-CG2 3.41Å; Y123-T125 VanDerWaalsContact CE1-CG2 3.41Å; Y123-T125 WeakPolarHBondContact OH-CG2 3.12Å; T125-E241 HydrophobicContact CG2-CB 4.41Å; T125-E336 PolarHBondContact N-O 3.33Å; T125-D337 PolarHBondContact OG1-OD1 3.47Å; T125-W338 PolarHBondContact O-N 3.37Å
126F90.2Very high85.9Confident2 Ų237 Ų371%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-117.9125.7-179.8-179.9-105.5000109L124 I128 Y156 F159 A160 V161 L251 L255 W338 V340L124-F126 HydrophobicContact CD2-CB 4.14Å; F126-I128 HydrophobicContact CE1-CG2 3.76Å; F126-I128 HydrophobicContact CZ-CG2 3.9Å; F126-Y156 AromaticContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CG 4.34Å; F126-Y156 HydrophobicContact CE2-CD1 4.48Å; F126-Y156 AromaticContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CE1 4.01Å; F126-Y156 HydrophobicContact CZ-CG 4.23Å; F126-F159 HydrophobicContact CD1-CB 4.2Å; F126-A160 HydrophobicContact CD1-CB 4.21Å; F126-A160 HydrophobicContact CE1-CB 4.38Å; F126-A160 CarbonylContact O-C 3.48Å; F126-A160 WeakPolarHBondContact O-CA 3.24Å; F126-V161 PolarHBondContact O-N 3.31Å; F126-L251 HydrophobicContact CB-CD2 4.01Å; F126-L255 HydrophobicContact CD1-CD2 4.15Å; F126-L255 HydrophobicContact CD2-CD1 4.13Å; F126-L255 HydrophobicContact CD2-CD2 4.46Å; F126-L255 HydrophobicContact CE1-CD2 3.81Å; F126-L255 HydrophobicContact CE2-CD1 4.16Å; F126-L255 HydrophobicContact CE2-CD2 4.13Å; F126-L255 HydrophobicContact CG-CD2 4.5Å; F126-L255 HydrophobicContact CZ-CD2 3.83Å; F126-W338 CarbonylContact C-O 3.59Å; F126-W338 WeakPolarHBondContact CA-O 3.2Å; F126-W338 HydrophobicContact CD2-CB 4.17Å; F126-W338 AromaticContact CD2-CD2 3.75Å; F126-W338 HydrophobicContact CD2-CD2 3.75Å; F126-W338 AromaticContact CD2-CE3 3.91Å; F126-W338 HydrophobicContact CD2-CE3 3.91Å; F126-W338 AromaticContact CD2-CG 3.91Å; F126-W338 HydrophobicContact CD2-CG 3.91Å; F126-W338 AromaticContact CE2-CD2 3.78Å; F126-W338 HydrophobicContact CE2-CD2 3.78Å; F126-W338 AromaticContact CE2-CE2 3.85Å; F126-W338 HydrophobicContact CE2-CE3 4.16Å; F126-W338 HydrophobicContact CE2-CG 4.11Å; F126-W338 HydrophobicContact CE2-CZ2 4.22Å; F126-V340 HydrophobicContact CE2-CG2 3.71Å; F126-V340 HydrophobicContact CZ-CB 4.41Å; F126-V340 HydrophobicContact CZ-CG2 3.9Å
127Q89.2Confident84.4Confident37 Ų3733.3 Ų33.317%0.17320%0.198CC..EExtended strand (participates in β ladder)trans-127.5150.5-171.9-52.7-173.913.800110.1V161 N162 W338 C339 V340Q127-V161 WeakPolarHBondContact CG-O 3.37Å; Q127-N162 WeakPolarHBondContact CA-OD1 3.05Å; Q127-W338 PolarHBondContact N-O 3.18Å; Q127-C339 HydrophobicContact CB-CB 4.26Å; Q127-C339 WeakPolarHBondContact O-CA 3.42Å; Q127-V340 PolarHBondContact O-N 3.22Å
128I89Confident82.6Confident2 Ų238.7 Ų38.71%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-132.5145.9172.861.8178.2000112.2F126 W153 Y156 E157 A160 N162 L214 V340F126-I128 HydrophobicContact CE1-CG2 3.76Å; F126-I128 HydrophobicContact CZ-CG2 3.9Å; I128-W153 HydrophobicContact CB-CE3 4.18Å; I128-W153 HydrophobicContact CB-CZ3 4.07Å; I128-W153 HydrophobicContact CD1-CE3 4.37Å; I128-W153 HydrophobicContact CG2-CE3 4.14Å; I128-W153 HydrophobicContact CG2-CZ3 4Å; I128-Y156 HydrophobicContact CG2-CG 4.27Å; I128-E157 HydrophobicContact CD1-CG 3.81Å; I128-A160 HydrophobicContact CB-CB 4.45Å; I128-A160 HydrophobicContact CD1-CB 3.87Å; I128-A160 HydrophobicContact CG1-CB 3.68Å; I128-A160 HydrophobicContact CG2-CB 4.2Å; I128-N162 PolarHBondContact N-OD1 2.97Å; I128-N162 PolarHBondContact O-ND2 3.15Å; I128-N162 PolarHBondContact O-OD1 3.19Å; I128-L214 HydrophobicContact CD1-CD2 4.31Å; I128-V340 WeakPolarHBondContact CA-O 3.25Å; I128-V340 HydrophobicContact CG2-CB 4.46Å
129A86.4Confident81Confident9 Ų944 Ų447%0.07425%0.253CS..  trans-128.466.8171.500000111Y131 V132 G166 V340 T341 P342A129-Y131 PolarHBondContact O-N 3.1Å; A129-V132 HydrophobicContact CB-CB 4.03Å; A129-V132 WeakPolarHBondContact O-CG1 3.44Å; A129-V132 PolarHBondContact O-N 3.07Å; A129-V132 VanDerWaalsContact O-N 3.15Å; A129-G166 VanDerWaalsContact CB-O 3.25Å; A129-G166 WeakPolarHBondContact CB-O 3.35Å; A129-V340 PolarHBondContact N-O 3.01Å; A129-V340 VanDerWaalsContact N-O 3.1Å; A129-T341 HydrophobicContact CB-CG2 3.8Å; A129-P342 WeakPolarHBondContact O-CD 3.46Å
130P84.6Confident79.5Confident2 Ų242 Ų421%0.01324%0.242CC..THydrogen-bonded Turntrans-60.6-24.7-172.525.5-35.6000113.3Q150 W153P130-Q150 PolarHBondContact O-OE1 3.15Å; P130-W153 HydrophobicContact CB-CB 4.48Å; P130-W153 HydrophobicContact CB-CD2 3.62Å; P130-W153 HydrophobicContact CB-CE3 4.16Å; P130-W153 HydrophobicContact CB-CG 3.76Å; P130-W153 HydrophobicContact CB-CZ2 4.21Å
131Y80.8Confident77.9Confident11 Ų1140.1 Ų40.14%0.04323%0.231CC..THydrogen-bonded Turntrans-99.83-175.5-47.7-54.6000113.7A129 C133 Q134 P147 K148 G167 F168 P169 H210A129-Y131 PolarHBondContact O-N 3.1Å; Y131-C133 PolarHBondContact O-N 3.02Å; Y131-Q134 WeakPolarHBondContact O-CB 3.5Å; Y131-Q134 PolarHBondContact O-N 2.8Å; Y131-P147 HydrophobicContact CD1-CB 4.27Å; Y131-P147 HydrophobicContact CD2-CB 4.39Å; Y131-P147 HydrophobicContact CE1-CB 4.11Å; Y131-P147 HydrophobicContact CE2-CB 4.26Å; Y131-P147 HydrophobicContact CG-CB 4.4Å; Y131-K148 WeakPolarHBondContact CE1-O 3.48Å; Y131-G167 WeakPolarHBondContact CB-O 3.45Å; Y131-G167 WeakPolarHBondContact CD2-O 3.32Å; Y131-G167 PolarHBondContact N-O 3.24Å; Y131-F168 AromaticContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CG-CD2 4.06Å; Y131-F168 HydrophobicContact CG-CE2 4.42Å; Y131-P169 VanDerWaalsContact O-CD 3.24Å; Y131-P169 WeakPolarHBondContact O-CD 3.45Å; Y131-H210 AromaticContact CE2-ND1 3.69Å
132V78.8Confident76.7Confident61 Ų6139.8 Ų39.837%0.3722%0.223SC..THydrogen-bonded Turntrans-60.5-32.1-171.377.60000113.2A129 P169 T341 P342A129-V132 HydrophobicContact CB-CB 4.03Å; A129-V132 WeakPolarHBondContact O-CG1 3.44Å; A129-V132 PolarHBondContact O-N 3.07Å; A129-V132 VanDerWaalsContact O-N 3.15Å; V132-P169 HydrophobicContact CG2-CB 4.4Å; V132-T341 HydrophobicContact CG1-CG2 4.47Å; V132-P342 HydrophobicContact CG1-CG 3.91Å
133C75.8Confident75.4Confident41 Ų4148 Ų4828%0.27726%0.259SS..THydrogen-bonded Turntrans-90.60.9178.8-63.10000113.9Y131 S135 P342Y131-C133 PolarHBondContact O-N 3.02Å; C133-S135 PolarHBondContact O-N 2.82Å; C133-P342 HydrophobicContact CB-CG 4.04Å
134Q71.3Confident74.3Confident38 Ų3849.5 Ų49.518%0.17828%0.277CS..  trans-68.8120.5179.3-70-172.1-14.200110.3Y131 S136 Y145Y131-Q134 WeakPolarHBondContact O-CB 3.5Å; Y131-Q134 PolarHBondContact O-N 2.8Å; Q134-S136 PolarHBondContact O-N 3.3Å; Q134-S136 VanDerWaalsContact O-N 3.09Å; Q134-Y145 PolarHBondContact OE1-OH 2.62Å
135S60.6Low73.2Confident116 Ų11651.2 Ų51.281%0.81128%0.283SS*.G310 helixtrans-65.4-7.8177.422.60000113.7C133 L137C133-S135 PolarHBondContact O-N 2.82Å; S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 3.2Å
136S60.2Low72.2Confident10 Ų1060.8 Ų60.87%0.0732%0.319CS..G310 helixtrans-77.610.4-172.461.90000115.7Q134 N138 E139 C140 Y145Q134-S136 PolarHBondContact O-N 3.3Å; Q134-S136 VanDerWaalsContact O-N 3.09Å; S136-N138 PolarHBondContact O-N 3.38Å; S136-E139 WeakPolarHBondContact O-CA 3.3Å; S136-E139 WeakPolarHBondContact O-CB 3.32Å; S136-E139 PolarHBondContact O-N 2.74Å; S136-C140 PolarHBondContact O-N 3.03Å; S136-C140 VanDerWaalsContact O-N 3.07Å; S136-C140 PolarHBondContact O-SG 3.12Å; S136-Y145 VanDerWaalsContact CB-OH 3.28Å; S136-Y145 WeakPolarHBondContact CB-OH 3.38Å; S136-Y145 VanDerWaalsContact OG-CZ 3.31Å; S136-Y145 PolarHBondContact OG-OH 3.03Å
137L61.4Low71.3Confident46 Ų4662 Ų6224%0.24133%0.327CS..G310 helixtrans-53.2-31.4174.6-102.1154.9000112.4S135 C140 P169 P171 L203S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 3.2Å; L137-C140 WeakPolarHBondContact O-CB 3.22Å; L137-P169 HydrophobicContact CD1-CB 3.93Å; L137-P169 HydrophobicContact CD1-CG 3.77Å; L137-P169 HydrophobicContact CG-CG 4.13Å; L137-P171 HydrophobicContact CD2-CG 4.39Å; L137-L203 HydrophobicContact CD2-CD2 3.9Å
138N58.3Low70.5Confident141 Ų14168.3 Ų68.375%0.75435%0.354SS*.G310 helixtrans-71.7-33.4174.4-65.9-26.3000112.8S136 C140 S141S136-N138 PolarHBondContact O-N 3.38Å; N138-C140 VanDerWaalsContact C-N 3.32Å; N138-S141 PolarHBondContact O-OG 3.02Å
139E64.4Low69.7Low116 Ų11672.6 Ų72.654%0.54237%0.371SS..G310 helixtrans-76.5-19178.1-58.3-179170.900112.5S136 S141 D142 Y145S136-E139 WeakPolarHBondContact O-CA 3.3Å; S136-E139 WeakPolarHBondContact O-CB 3.32Å; S136-E139 PolarHBondContact O-N 2.74Å; E139-S141 PolarHBondContact O-N 2.9Å; E139-D142 WeakPolarHBondContact O-CB 3.31Å; E139-D142 PolarHBondContact O-N 3.25Å; E139-Y145 HydrophobicContact CB-CD2 3.91Å; E139-Y145 HydrophobicContact CB-CE2 4.27Å; E139-Y145 HydrophobicContact CB-CG 4.38Å; E139-Y145 WeakPolarHBondContact OE2-CE2 3.22Å
140C63.3Low69.3Low0 Ų072.6 Ų72.60%037%0.369CS..G310 helixtrans-61-13.1176.8-69.30000114.2S136 L137 N138 D142 F168 L199 S202 L203 Y206S136-C140 PolarHBondContact O-N 3.03Å; S136-C140 VanDerWaalsContact O-N 3.07Å; S136-C140 PolarHBondContact O-SG 3.12Å; L137-C140 WeakPolarHBondContact O-CB 3.22Å; N138-C140 VanDerWaalsContact C-N 3.32Å; C140-D142 VanDerWaalsContact C-N 3.28Å; C140-F168 WeakPolarHBondContact SG-CE1 3.46Å; C140-F168 WeakPolarHBondContact SG-CZ 3.45Å; C140-L199 HydrophobicContact CB-CD1 3.87Å; C140-S202 VanDerWaalsContact O-CB 3.23Å; C140-S202 WeakPolarHBondContact O-CB 3.16Å; C140-S202 PolarHBondContact O-OG 3.32Å; C140-L203 HydrophobicContact CB-CD2 4.31Å; C140-Y206 HydrophobicContact CB-CE2 3.93Å
141S60.7Low69.1Low60 Ų6074.3 Ų74.342%0.4238%0.38SS..G310 helixtrans-74.2-19.4173.269.40000113.4N138 E139 K198N138-S141 PolarHBondContact O-OG 3.02Å; E139-S141 PolarHBondContact O-N 2.9Å; S141-K198 PolarHBondContact O-NZ 3.17Å; S141-K198 VanDerWaalsContact O-NZ 3.11Å
142D67.3Low69.3Low82 Ų8274.5 Ų74.544%0.43938%0.382SS..SBendtrans-80.7134.7170.4-169.1-2.8000110.4E139 C140 S144 Y206E139-D142 WeakPolarHBondContact O-CB 3.31Å; E139-D142 PolarHBondContact O-N 3.25Å; C140-D142 VanDerWaalsContact C-N 3.28Å; D142-S144 PolarHBondContact OD1-N 2.91Å; D142-S144 PolarHBondContact OD1-OG 2.84Å; D142-S144 PolarHBondContact OD2-OG 2.65Å; D142-Y206 PolarHBondContact O-OH 2.91Å
143K66.8Low69.8Low173 Ų17371.7 Ų71.775%0.75237%0.365SS*.SBendtrans-74.3-18.2176.1-65.7-178.1179.2178.40112.5
144S68.4Low70.1Confident85 Ų8570.9 Ų70.959%0.59436%0.361SS*.SBendtrans-78.7-24.9178.783.50000112.3D142 R146D142-S144 PolarHBondContact OD1-N 2.91Å; D142-S144 PolarHBondContact OD1-OG 2.84Å; D142-S144 PolarHBondContact OD2-OG 2.65Å; S144-R146 PolarHBondContact O-N 3.12Å
145Y69.7Low70.7Confident37 Ų3771.8 Ų71.815%0.14537%0.369CS..  trans-60.8132.1-178.4-175.6-98.5000110.4Q134 S136 E139 P147 F168 Y206Q134-Y145 PolarHBondContact OE1-OH 2.62Å; S136-Y145 VanDerWaalsContact CB-OH 3.28Å; S136-Y145 WeakPolarHBondContact CB-OH 3.38Å; S136-Y145 VanDerWaalsContact OG-CZ 3.31Å; S136-Y145 PolarHBondContact OG-OH 3.03Å; E139-Y145 HydrophobicContact CB-CD2 3.91Å; E139-Y145 HydrophobicContact CB-CE2 4.27Å; E139-Y145 HydrophobicContact CB-CG 4.38Å; E139-Y145 WeakPolarHBondContact OE2-CE2 3.22Å; Y145-P147 HydrophobicContact CE1-CG 4Å; Y145-F168 HydrophobicContact CE1-CE2 4.41Å; Y145-F168 HydrophobicContact CE1-CZ 4.18Å; Y145-Y206 HydrophobicContact CD1-CE1 4.34Å; Y145-Y206 HydrophobicContact CD1-CE2 4.17Å; Y145-Y206 AromaticContact CD1-CZ 3.81Å; Y145-Y206 WeakPolarHBondContact O-CE1 3.22Å; Y145-Y206 PolarHBondContact O-OH 2.75Å
146R69.5Low72.1Confident208 Ų20866.2 Ų66.279%0.78533%0.33SS*.  trans-136.1127168.1-66.6-165.2-178.1-152.63.5107.3S144 K148S144-R146 PolarHBondContact O-N 3.12Å; R146-K148 PolarHBondContact O-N 3.34Å; R146-K148 VanDerWaalsContact O-N 3.12Å
147P70.3Confident73.3Confident28 Ų2865.8 Ų65.818%0.18233%0.327CS..PPolyproline II helixtrans-53.4123.2172.4-23.332.2000108.8Y131 Y145 Y149 F168 Y206Y131-P147 HydrophobicContact CD1-CB 4.27Å; Y131-P147 HydrophobicContact CD2-CB 4.39Å; Y131-P147 HydrophobicContact CE1-CB 4.11Å; Y131-P147 HydrophobicContact CE2-CB 4.26Å; Y131-P147 HydrophobicContact CG-CB 4.4Å; Y145-P147 HydrophobicContact CE1-CG 4Å; P147-Y149 PolarHBondContact O-N 3.37Å; P147-F168 HydrophobicContact CB-CD2 4.43Å; P147-F168 HydrophobicContact CB-CE2 4.08Å; P147-F168 HydrophobicContact CG-CD2 3.82Å; P147-F168 HydrophobicContact CG-CE2 3.5Å; P147-F168 VanDerWaalsContact CG-CE2 3.5Å; P147-F168 HydrophobicContact CG-CZ 4.43Å; P147-Y206 HydrophobicContact CG-CD1 4.04Å; P147-Y206 HydrophobicContact CG-CG 4.33Å
148K72Confident74.2Confident169 Ų16967.8 Ų67.874%0.73533%0.332SS*.PPolyproline II helixtrans-65.6134.1177.1-71.6-175.4179-179.60108.4Y131 R146Y131-K148 WeakPolarHBondContact CE1-O 3.48Å; R146-K148 PolarHBondContact O-N 3.34Å; R146-K148 VanDerWaalsContact O-N 3.12Å
149Y72.3Confident75.4Confident92 Ų9262.9 Ų62.936%0.36130%0.303SS..PPolyproline II helixtrans-59.7138.4169.7173.2-125.4000109.5P147 P151 A154 E157 R213P147-Y149 PolarHBondContact O-N 3.37Å; Y149-P151 HydrophobicContact CD1-CG 4.11Å; Y149-P151 HydrophobicContact CE1-CB 4.17Å; Y149-P151 HydrophobicContact CE1-CG 4.01Å; Y149-A154 WeakPolarHBondContact OH-CB 3.33Å; Y149-E157 VanDerWaalsContact CE2-OE2 3.3Å; Y149-E157 WeakPolarHBondContact CE2-OE2 3.33Å; Y149-R213 VanDerWaalsContact CE2-CZ 3.45Å; Y149-R213 VanDerWaalsContact CG-NH2 3.34Å
150Q78.8Confident76.4Confident8 Ų857.4 Ų57.44%0.03728%0.278CS..  trans-113.2101.8177.8-68.4-179.8-1300108P130 L152 W153 I303P130-Q150 PolarHBondContact O-OE1 3.15Å; Q150-L152 PolarHBondContact O-N 3.29Å; Q150-L152 VanDerWaalsContact O-N 3.15Å; Q150-W153 HydrophobicContact CB-CG 4.49Å; Q150-W153 PolarHBondContact O-N 3.2Å; Q150-I303 HydrophobicContact CB-CG2 4.18Å; Q150-I303 VanDerWaalsContact CD-CG2 3.47Å; Q150-I303 HydrophobicContact CG-CG2 3.85Å
151P80.7Confident77.2Confident38 Ų3858.1 Ų58.125%0.24728%0.282CS..G310 helixtrans-56.6-31.1-173.3-27.935.8000114.6Y149 W153 A154 D299Y149-P151 HydrophobicContact CD1-CG 4.11Å; Y149-P151 HydrophobicContact CE1-CB 4.17Å; Y149-P151 HydrophobicContact CE1-CG 4.01Å; P151-W153 PolarHBondContact O-N 2.86Å; P151-W153 VanDerWaalsContact O-N 3.14Å; P151-A154 WeakPolarHBondContact O-CB 3.47Å; P151-A154 PolarHBondContact O-N 3.3Å; P151-D299 HydrophobicContact CB-CB 3.91Å; P151-D299 HydrophobicContact CG-CB 3.86Å
152L85.7Confident77.9Confident16 Ų1655.6 Ų55.68%0.08426%0.264CS..G310 helixtrans-64.1-16.7176.1-81.2168.2000114.3Q150 A154 V291 T295 L300 I303Q150-L152 PolarHBondContact O-N 3.29Å; Q150-L152 VanDerWaalsContact O-N 3.15Å; L152-A154 VanDerWaalsContact C-N 3.35Å; L152-V291 HydrophobicContact CD1-CG2 4.46Å; L152-V291 HydrophobicContact CD2-CG1 4.25Å; L152-T295 HydrophobicContact CD2-CG2 4.42Å; L152-L300 HydrophobicContact CD1-CD2 3.39Å; L152-L300 HydrophobicContact CG-CD2 4.25Å; L152-I303 HydrophobicContact CB-CD1 4.39Å; L152-I303 HydrophobicContact CD1-CD1 3.1Å; L152-I303 HydrophobicContact CD1-CG1 3.92Å; L152-I303 HydrophobicContact CG-CD1 4.34Å
153W87.6Confident77.5Confident1 Ų155.6 Ų55.60%0.00427%0.271CS..G310 helixtrans-87.2-5.6172.6-67.688.5000113.4I128 P130 Q150 P151 T155 Y156 E157 R319 V340 P342I128-W153 HydrophobicContact CB-CE3 4.18Å; I128-W153 HydrophobicContact CB-CZ3 4.07Å; I128-W153 HydrophobicContact CD1-CE3 4.37Å; I128-W153 HydrophobicContact CG2-CE3 4.14Å; I128-W153 HydrophobicContact CG2-CZ3 4Å; P130-W153 HydrophobicContact CB-CB 4.48Å; P130-W153 HydrophobicContact CB-CD2 3.62Å; P130-W153 HydrophobicContact CB-CE3 4.16Å; P130-W153 HydrophobicContact CB-CG 3.76Å; P130-W153 HydrophobicContact CB-CZ2 4.21Å; Q150-W153 HydrophobicContact CB-CG 4.49Å; Q150-W153 PolarHBondContact O-N 3.2Å; P151-W153 PolarHBondContact O-N 2.86Å; P151-W153 VanDerWaalsContact O-N 3.14Å; W153-T155 PolarHBondContact O-N 3.29Å; W153-Y156 HydrophobicContact CD2-CD2 4.37Å; W153-Y156 AromaticContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CE2 4.28Å; W153-Y156 HydrophobicContact CE3-CG 4.25Å; W153-Y156 HydrophobicContact CZ3-CD2 4.16Å; W153-Y156 HydrophobicContact CZ3-CE2 4.48Å; W153-Y156 PolarHBondContact O-N 3.19Å; W153-E157 WeakPolarHBondContact O-CG 3.36Å; W153-E157 PolarHBondContact O-N 2.85Å; W153-R319 VanDerWaalsContact CE2-NH1 3.25Å; W153-V340 HydrophobicContact CH2-CG1 4Å; W153-V340 HydrophobicContact CZ3-CB 4.32Å; W153-V340 HydrophobicContact CZ3-CG1 3.88Å; W153-P342 HydrophobicContact CZ2-CB 4.22Å; W153-P342 HydrophobicContact CZ2-CG 4.35Å
154A83.8Confident77.1Confident24 Ų2452 Ų5220%0.19826%0.259CS..Hα-helixtrans-53-42.7-176.300000112.6Y149 P151 L152 Y156 E157 R158Y149-A154 WeakPolarHBondContact OH-CB 3.33Å; P151-A154 WeakPolarHBondContact O-CB 3.47Å; P151-A154 PolarHBondContact O-N 3.3Å; L152-A154 VanDerWaalsContact C-N 3.35Å; A154-Y156 VanDerWaalsContact C-N 3.35Å; A154-Y156 PolarHBondContact O-N 2.73Å; A154-E157 PolarHBondContact O-N 3Å; A154-R158 WeakPolarHBondContact O-CG 3.39Å; A154-R158 PolarHBondContact O-N 3.2Å
155T83.2Confident76.4Confident57 Ų5749.7 Ų49.735%0.3524%0.242SC..Hα-helixtrans-63.8-42-179.2-51.50000111.2W153 F159 P256W153-T155 PolarHBondContact O-N 3.29Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; T155-F159 WeakPolarHBondContact O-CE2 3.38Å; T155-P256 HydrophobicContact CG2-CG 3.84Å
156Y88.7Confident75.6Confident0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-70-40.2175.3-60.7-70.2000112.7F126 I128 W153 A154 R158 F159 A160 L255 P256 E289 V340F126-Y156 AromaticContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CG 4.34Å; F126-Y156 HydrophobicContact CE2-CD1 4.48Å; F126-Y156 AromaticContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CE1 4.01Å; F126-Y156 HydrophobicContact CZ-CG 4.23Å; I128-Y156 HydrophobicContact CG2-CG 4.27Å; W153-Y156 HydrophobicContact CD2-CD2 4.37Å; W153-Y156 AromaticContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CE2 4.28Å; W153-Y156 HydrophobicContact CE3-CG 4.25Å; W153-Y156 HydrophobicContact CZ3-CD2 4.16Å; W153-Y156 HydrophobicContact CZ3-CE2 4.48Å; W153-Y156 PolarHBondContact O-N 3.19Å; A154-Y156 VanDerWaalsContact C-N 3.35Å; A154-Y156 PolarHBondContact O-N 2.73Å; Y156-R158 PolarHBondContact O-N 2.86Å; Y156-R158 VanDerWaalsContact O-N 3.13Å; Y156-F159 PolarHBondContact O-N 3.25Å; Y156-A160 WeakPolarHBondContact O-CB 3.39Å; Y156-A160 PolarHBondContact O-N 2.98Å; Y156-L255 HydrophobicContact CD1-CD2 4.08Å; Y156-P256 HydrophobicContact CD1-CG 4.18Å; Y156-P256 HydrophobicContact CD2-CG 4.49Å; Y156-P256 HydrophobicContact CE1-CB 4.4Å; Y156-P256 VanDerWaalsContact CE1-CD 3.46Å; Y156-P256 HydrophobicContact CE1-CG 3.67Å; Y156-P256 HydrophobicContact CE2-CG 3.96Å; Y156-E289 VanDerWaalsContact CE2-OE2 3.22Å; Y156-E289 WeakPolarHBondContact CE2-OE2 3.33Å; Y156-E289 VanDerWaalsContact OH-CD 3.23Å; Y156-E289 PolarHBondContact OH-OE2 3.45Å; Y156-V340 HydrophobicContact CE1-CG2 4.49Å
157E85.8Confident75.3Confident1 Ų139.2 Ų39.21%0.00521%0.211CC..Hα-helixtrans-56.5-29.7179.1-74.9-171.8165.600112.4I128 Y149 W153 A154 F159 R213 L214 V217I128-E157 HydrophobicContact CD1-CG 3.81Å; Y149-E157 VanDerWaalsContact CE2-OE2 3.3Å; Y149-E157 WeakPolarHBondContact CE2-OE2 3.33Å; W153-E157 WeakPolarHBondContact O-CG 3.36Å; W153-E157 PolarHBondContact O-N 2.85Å; A154-E157 PolarHBondContact O-N 3Å; E157-F159 PolarHBondContact O-N 3.13Å; E157-R213 IonicContact OE1-NE 2.59Å; E157-R213 PolarHBondContact OE1-NE 3Å; E157-R213 VanDerWaalsContact OE1-NE 3.15Å; E157-R213 IonicContact OE2-CZ 2.64Å; E157-R213 IonicContact OE2-NE 2.68Å; E157-R213 PolarHBondContact OE2-NE 3.28Å; E157-R213 IonicContact OE2-NH2 3.58Å; E157-L214 HydrophobicContact CB-CD2 3.81Å; E157-L214 HydrophobicContact CG-CD2 3.79Å; E157-V217 HydrophobicContact CB-CG1 4.04Å
158R80.7Confident75.3Confident88 Ų8838 Ų3833%0.33220%0.203SC..THydrogen-bonded Turntrans-62-31.4176.8-66.3179-176.9-171.72.3113A154 Y156 V217 T218 A221 D226A154-R158 WeakPolarHBondContact O-CG 3.39Å; A154-R158 PolarHBondContact O-N 3.2Å; Y156-R158 PolarHBondContact O-N 2.86Å; Y156-R158 VanDerWaalsContact O-N 3.13Å; R158-V217 HydrophobicContact CG-CG1 3.98Å; R158-T218 PolarHBondContact O-OG1 3.15Å; R158-A221 HydrophobicContact CB-CB 4.02Å; R158-A221 HydrophobicContact CG-CB 3.84Å; R158-D226 IonicContact NH1-OD2 3.62Å; R158-D226 PolarHBondContact NH1-OD2 3.17Å; R158-D226 VanDerWaalsContact NH1-OD2 3.07Å
159F83.4Confident75Confident37 Ų3730.8 Ų30.816%0.16217%0.173CC..THydrogen-bonded Turntrans-113.3-15.5-172.2-54.7-65.5000113.9F126 T155 Y156 E157 L251 R254 L255F126-F159 HydrophobicContact CD1-CB 4.2Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; T155-F159 WeakPolarHBondContact O-CE2 3.38Å; Y156-F159 PolarHBondContact O-N 3.25Å; E157-F159 PolarHBondContact O-N 3.13Å; F159-L251 HydrophobicContact CB-CD1 3.4Å; F159-L251 HydrophobicContact CD1-CD1 3.68Å; F159-L251 HydrophobicContact CD2-CD1 4.21Å; F159-L251 HydrophobicContact CG-CD1 3.49Å; F159-L251 VanDerWaalsContact CG-CD1 3.49Å; F159-R254 HydrophobicContact CE1-CB 4.15Å; F159-R254 HydrophobicContact CE2-CB 4Å; F159-R254 HydrophobicContact CZ-CB 3.54Å; F159-R254 HydrophobicContact CZ-CG 4.33Å; F159-L255 HydrophobicContact CD2-CD2 3.98Å
160A86.3Confident75.1Confident2 Ų227.3 Ų27.32%0.01716%0.16CC..  trans-69.9139.2-173.400000113.1F126 I128 Y156 L214F126-A160 HydrophobicContact CD1-CB 4.21Å; F126-A160 HydrophobicContact CE1-CB 4.38Å; F126-A160 CarbonylContact O-C 3.48Å; F126-A160 WeakPolarHBondContact O-CA 3.24Å; I128-A160 HydrophobicContact CB-CB 4.45Å; I128-A160 HydrophobicContact CD1-CB 3.87Å; I128-A160 HydrophobicContact CG1-CB 3.68Å; I128-A160 HydrophobicContact CG2-CB 4.2Å; Y156-A160 WeakPolarHBondContact O-CB 3.39Å; Y156-A160 PolarHBondContact O-N 2.98Å; A160-L214 HydrophobicContact CB-CD1 4.36Å; A160-L214 HydrophobicContact CB-CD2 4.22Å
161V79.4Confident74.8Confident14 Ų1428.5 Ų28.59%0.08517%0.169CC..  trans-126.682.2-179.7-1740000107.6F126 Q127 S163 M240F126-V161 PolarHBondContact O-N 3.31Å; Q127-V161 WeakPolarHBondContact CG-O 3.37Å; V161-S163 PolarHBondContact O-N 3.31Å; V161-M240 HydrophobicContact CB-CE 4.47Å; V161-M240 VanDerWaalsContact CB-O 3.24Å; V161-M240 WeakPolarHBondContact CB-O 3.26Å; V161-M240 HydrophobicContact CG1-CB 3.42Å; V161-M240 VanDerWaalsContact CG1-CB 3.42Å; V161-M240 HydrophobicContact CG1-CE 3.51Å; V161-M240 HydrophobicContact CG1-CG 4.06Å; V161-M240 WeakPolarHBondContact CG1-O 3.5Å; V161-M240 HydrophobicContact CG1-SD 3.88Å; V161-M240 HydrophobicContact CG2-CB 4.41Å; V161-M240 WeakPolarHBondContact CG2-O 3.34Å
162N75.3Confident74.5Confident7 Ų731.5 Ų31.54%0.03719%0.19CC..  trans-79.379.1174.2-68.47.1000109.2Q127 I128 L164 H210 L214Q127-N162 WeakPolarHBondContact CA-OD1 3.05Å; I128-N162 PolarHBondContact N-OD1 2.97Å; I128-N162 PolarHBondContact O-ND2 3.15Å; I128-N162 PolarHBondContact O-OD1 3.19Å; N162-L164 PolarHBondContact O-N 2.9Å; N162-H210 PolarHBondContact ND2-NE2 3.36Å; N162-L214 HydrophobicContact CB-CD1 3.82Å
163S59.8Low74.3Confident82 Ų8234.6 Ų34.657%0.57320%0.201SC*.  trans-64.6-31173.757.50000111.5V161V161-S163 PolarHBondContact O-N 3.31Å
164L57Low74Confident98 Ų9834.5 Ų34.551%0.51320%0.201SC..SBendtrans-96.9142.3172.1-65.9173.7000110.6N162 G166 W175N162-L164 PolarHBondContact O-N 2.9Å; L164-G166 PolarHBondContact O-N 3.24Å; L164-W175 HydrophobicContact CB-CH2 4.33Å
165P54.8Low73.8Confident36 Ų3638.2 Ų38.223%0.23421%0.21CC..SBendtrans-66.885172.626.3-31.2000109.7L170 W175 Q207P165-L170 HydrophobicContact CB-CD1 4.09Å; P165-L170 HydrophobicContact CG-CD1 4.19Å; P165-L170 WeakPolarHBondContact O-CD1 3.07Å; P165-W175 HydrophobicContact CG-CH2 3.63Å; P165-W175 HydrophobicContact CG-CZ3 3.71Å; P165-W175 VanDerWaalsContact O-CH2 3.27Å; P165-W175 WeakPolarHBondContact O-CH2 3.21Å; P165-W175 WeakPolarHBondContact O-CZ2 3.49Å; P165-Q207 VanDerWaalsContact C-CD 3.47Å; P165-Q207 HydrophobicContact CB-CB 4.18Å; P165-Q207 HydrophobicContact CB-CG 3.92Å; P165-Q207 PolarHBondContact O-NE2 2.91Å
166G52.1Low73.7Confident26 Ų2641.1 Ų41.127%0.26822%0.218SC..  trans-136-3.6-173.200000114.5A129 L164 F168A129-G166 VanDerWaalsContact CB-O 3.25Å; A129-G166 WeakPolarHBondContact CB-O 3.35Å; L164-G166 PolarHBondContact O-N 3.24Å; G166-F168 PolarHBondContact O-N 2.74Å
167G63.2Low73.5Confident0 Ų041.4 Ų41.40%022%0.22CC..SBendtrans-62-34.2176.600000112.1Y131Y131-G167 WeakPolarHBondContact CB-O 3.45Å; Y131-G167 WeakPolarHBondContact CD2-O 3.32Å; Y131-G167 PolarHBondContact N-O 3.24Å
168F69.7Low73.3Confident3 Ų343.4 Ų43.41%0.01323%0.232CC..SBendtrans-106.3144.9170.3-151.8-97.5000110.5Y131 C140 Y145 P147 G166 L170 L203 Q207Y131-F168 AromaticContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CG-CD2 4.06Å; Y131-F168 HydrophobicContact CG-CE2 4.42Å; C140-F168 WeakPolarHBondContact SG-CE1 3.46Å; C140-F168 WeakPolarHBondContact SG-CZ 3.45Å; Y145-F168 HydrophobicContact CE1-CE2 4.41Å; Y145-F168 HydrophobicContact CE1-CZ 4.18Å; P147-F168 HydrophobicContact CB-CD2 4.43Å; P147-F168 HydrophobicContact CB-CE2 4.08Å; P147-F168 HydrophobicContact CG-CD2 3.82Å; P147-F168 HydrophobicContact CG-CE2 3.5Å; P147-F168 VanDerWaalsContact CG-CE2 3.5Å; P147-F168 HydrophobicContact CG-CZ 4.43Å; G166-F168 PolarHBondContact O-N 2.74Å; F168-L170 PolarHBondContact O-N 3.44Å; F168-L203 HydrophobicContact CD1-CD2 3.73Å; F168-L203 HydrophobicContact CE1-CD2 3.75Å; F168-Q207 PolarHBondContact O-NE2 2.5Å
169P67.1Low73.3Confident17 Ų1745.7 Ų45.711%0.1125%0.245CC..PPolyproline II helixtrans-65.7122.1177.225.4-33.3000109.8Y131 V132 L137Y131-P169 VanDerWaalsContact O-CD 3.24Å; Y131-P169 WeakPolarHBondContact O-CD 3.45Å; V132-P169 HydrophobicContact CG2-CB 4.4Å; L137-P169 HydrophobicContact CD1-CB 3.93Å; L137-P169 HydrophobicContact CD1-CG 3.77Å; L137-P169 HydrophobicContact CG-CG 4.13Å
170L73.6Confident73.4Confident19 Ų1945.1 Ų45.110%0.09924%0.242CC..PPolyproline II helixtrans-98.5118.8166.7-67.9-178.8000108P165 F168 A174 W175 L203 Q207P165-L170 HydrophobicContact CB-CD1 4.09Å; P165-L170 HydrophobicContact CG-CD1 4.19Å; P165-L170 WeakPolarHBondContact O-CD1 3.07Å; F168-L170 PolarHBondContact O-N 3.44Å; L170-A174 HydrophobicContact CB-CB 4.39Å; L170-A174 HydrophobicContact CD2-CB 4.4Å; L170-W175 HydrophobicContact CB-CD2 4.27Å; L170-W175 HydrophobicContact CB-CG 4.09Å; L170-W175 HydrophobicContact CD1-CD2 4.08Å; L170-W175 HydrophobicContact CD1-CE3 4.36Å; L170-W175 HydrophobicContact CD1-CH2 4.43Å; L170-W175 HydrophobicContact CD1-CZ2 4.15Å; L170-W175 PolarHBondContact O-NE1 2.93Å; L170-L203 HydrophobicContact CD2-CB 3.77Å; L170-L203 HydrophobicContact CD2-CD1 4.21Å; L170-L203 HydrophobicContact CD2-CG 4.42Å; L170-Q207 HydrophobicContact CD1-CG 4.5Å; L170-Q207 HydrophobicContact CD2-CG 4.21Å; L170-Q207 HydrophobicContact CG-CG 4.47Å
171P72.8Confident73.1Confident33 Ų3349.9 Ų49.921%0.21426%0.264CS..PPolyproline II helixtrans-61.6154.3171.527-34000109.8L137 W173 A174 W175 L203L137-P171 HydrophobicContact CD2-CG 4.39Å; P171-W173 HydrophobicContact CG-CD2 4.32Å; P171-W173 VanDerWaalsContact CG-CE2 3.49Å; P171-W173 HydrophobicContact CG-CG 4.46Å; P171-W173 HydrophobicContact CG-CZ2 3.79Å; P171-W173 PolarHBondContact O-N 2.98Å; P171-W173 VanDerWaalsContact O-N 3.13Å; P171-A174 HydrophobicContact CG-CB 3.83Å; P171-A174 WeakPolarHBondContact O-CA 3.21Å; P171-A174 VanDerWaalsContact O-CB 3.32Å; P171-A174 WeakPolarHBondContact O-CB 3.26Å; P171-A174 PolarHBondContact O-N 3.4Å; P171-W175 PolarHBondContact O-N 3.34Å; P171-L203 HydrophobicContact CG-CD1 4.36Å
172S74.8Confident73.1Confident100 Ų10054.1 Ų54.170%0.69929%0.294SS*.Hα-helixtrans-52.5-39-174.855.60000113.9A174 W175 F176S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 2.83Å; S172-W175 WeakPolarHBondContact O-CB 3.38Å; S172-W175 PolarHBondContact O-N 2.89Å; S172-F176 WeakPolarHBondContact O-CB 3.45Å; S172-F176 PolarHBondContact O-N 3.44Å
173W81.9Confident73.5Confident81 Ų8156.4 Ų56.431%0.30731%0.306SS..Hα-helixtrans-64.3-33.6175.670-99.4000112.5P171 A177 L192 D196 L199 L200 L203P171-W173 HydrophobicContact CG-CD2 4.32Å; P171-W173 VanDerWaalsContact CG-CE2 3.49Å; P171-W173 HydrophobicContact CG-CG 4.46Å; P171-W173 HydrophobicContact CG-CZ2 3.79Å; P171-W173 PolarHBondContact O-N 2.98Å; P171-W173 VanDerWaalsContact O-N 3.13Å; W173-A177 WeakPolarHBondContact O-CB 3.45Å; W173-A177 PolarHBondContact O-N 2.79Å; W173-L192 HydrophobicContact CE3-CD1 4.43Å; W173-L192 HydrophobicContact CE3-CD2 4.31Å; W173-L192 HydrophobicContact CZ3-CD1 4.11Å; W173-D196 HydrophobicContact CH2-CB 4.39Å; W173-D196 HydrophobicContact CZ3-CB 4.11Å; W173-L199 HydrophobicContact CH2-CB 4.27Å; W173-L199 HydrophobicContact CH2-CD2 4.1Å; W173-L199 HydrophobicContact CH2-CG 4.11Å; W173-L199 HydrophobicContact CZ2-CD2 3.67Å; W173-L199 HydrophobicContact CZ2-CG 4.11Å; W173-L200 HydrophobicContact CH2-CB 4.26Å; W173-L200 HydrophobicContact CZ3-CB 4.07Å; W173-L200 HydrophobicContact CZ3-CD1 4.46Å; W173-L203 HydrophobicContact CH2-CD1 4.43Å; W173-L203 HydrophobicContact CZ2-CD1 4.38Å
174A81.1Confident74.6Confident0 Ų056.6 Ų56.60%031%0.305CS..Hα-helixtrans-72.7-44.6177.900000109.7L170 P171 S172 F176 A177 V178 L200 L203L170-A174 HydrophobicContact CB-CB 4.39Å; L170-A174 HydrophobicContact CD2-CB 4.4Å; P171-A174 HydrophobicContact CG-CB 3.83Å; P171-A174 WeakPolarHBondContact O-CA 3.21Å; P171-A174 VanDerWaalsContact O-CB 3.32Å; P171-A174 WeakPolarHBondContact O-CB 3.26Å; P171-A174 PolarHBondContact O-N 3.4Å; S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 2.83Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 3.1Å; A174-A177 PolarHBondContact O-N 2.91Å; A174-V178 VanDerWaalsContact O-CG2 3.28Å; A174-V178 WeakPolarHBondContact O-CG2 3.46Å; A174-V178 PolarHBondContact O-N 2.89Å; A174-L200 HydrophobicContact CB-CD1 3.87Å; A174-L203 HydrophobicContact CB-CD1 4.14Å
175W78.7Confident75.8Confident101 Ų10162.3 Ų62.338%0.38332%0.319SS..Hα-helixtrans-53.2-50.3170.8-88116.7000112L164 P165 L170 P171 S172 A177 V178 K179L164-W175 HydrophobicContact CB-CH2 4.33Å; P165-W175 HydrophobicContact CG-CH2 3.63Å; P165-W175 HydrophobicContact CG-CZ3 3.71Å; P165-W175 VanDerWaalsContact O-CH2 3.27Å; P165-W175 WeakPolarHBondContact O-CH2 3.21Å; P165-W175 WeakPolarHBondContact O-CZ2 3.49Å; L170-W175 HydrophobicContact CB-CD2 4.27Å; L170-W175 HydrophobicContact CB-CG 4.09Å; L170-W175 HydrophobicContact CD1-CD2 4.08Å; L170-W175 HydrophobicContact CD1-CE3 4.36Å; L170-W175 HydrophobicContact CD1-CH2 4.43Å; L170-W175 HydrophobicContact CD1-CZ2 4.15Å; L170-W175 PolarHBondContact O-NE1 2.93Å; P171-W175 PolarHBondContact O-N 3.34Å; S172-W175 WeakPolarHBondContact O-CB 3.38Å; S172-W175 PolarHBondContact O-N 2.89Å; W175-A177 VanDerWaalsContact C-N 3.34Å; W175-A177 PolarHBondContact O-N 2.97Å; W175-V178 PolarHBondContact O-N 2.67Å; W175-K179 PolarHBondContact O-N 2.93Å
176F81.4Confident77Confident119 Ų11972.3 Ų72.352%0.52235%0.353SS..Hα-helixtrans-58.1-47.3177.2-176.8-100.2000111.2S172 A174 V178 K179 E180S172-F176 WeakPolarHBondContact O-CB 3.45Å; S172-F176 PolarHBondContact O-N 3.44Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 3.1Å; F176-V178 PolarHBondContact O-N 3.34Å; F176-K179 CarbonylContact O-C 3.59Å; F176-K179 WeakPolarHBondContact O-CB 3.08Å; F176-K179 PolarHBondContact O-N 3.14Å; F176-K179 VanDerWaalsContact O-N 3.15Å; F176-E180 HydrophobicContact CD1-CG 4.02Å; F176-E180 HydrophobicContact CE1-CG 3.62Å; F176-E180 WeakPolarHBondContact CE1-OE1 3.48Å; F176-E180 WeakPolarHBondContact CE1-OE2 3.31Å; F176-E180 HydrophobicContact CE2-CG 4.4Å; F176-E180 HydrophobicContact CZ-CG 3.82Å; F176-E180 WeakPolarHBondContact CZ-OE1 3.29Å; F176-E180 WeakPolarHBondContact O-CG 3.35Å; F176-E180 PolarHBondContact O-N 2.91Å
177A84.7Confident78.3Confident6 Ų676.9 Ų76.95%0.0537%0.37CS..Hα-helixtrans-64.4-36.4178.100000113.6W173 A174 W175 K179 E180 E181 L192 L200W173-A177 WeakPolarHBondContact O-CB 3.45Å; W173-A177 PolarHBondContact O-N 2.79Å; A174-A177 PolarHBondContact O-N 2.91Å; W175-A177 VanDerWaalsContact C-N 3.34Å; W175-A177 PolarHBondContact O-N 2.97Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-E180 PolarHBondContact O-N 3.33Å; A177-E181 WeakPolarHBondContact O-CG 3.32Å; A177-E181 PolarHBondContact O-N 2.9Å; A177-E181 VanDerWaalsContact O-N 3.15Å; A177-L192 HydrophobicContact CB-CD1 3.72Å; A177-L192 HydrophobicContact CB-CG 4.43Å; A177-L200 HydrophobicContact CB-CD2 3.71Å
178V81.6Confident79.2Confident42 Ų4281.9 Ų81.926%0.25539%0.389SS..Hα-helixtrans-62.4-44.5172.3176.80000110.3A174 W175 F176 E181 L200 K204A174-V178 VanDerWaalsContact O-CG2 3.28Å; A174-V178 WeakPolarHBondContact O-CG2 3.46Å; A174-V178 PolarHBondContact O-N 2.89Å; W175-V178 PolarHBondContact O-N 2.67Å; F176-V178 PolarHBondContact O-N 3.34Å; V178-E181 PolarHBondContact O-N 3.26Å; V178-L200 HydrophobicContact CG2-CD1 4.06Å; V178-K204 VanDerWaalsContact CG2-CE 3.46Å
179K81.4Confident79.6Confident137 Ų13783.2 Ų83.260%0.59640%0.404SS*.Hα-helixtrans-66.3-39.8178-166.6-177.5178.41770112.2W175 F176 A177 E181 S182 M183W175-K179 PolarHBondContact O-N 2.93Å; F176-K179 CarbonylContact O-C 3.59Å; F176-K179 WeakPolarHBondContact O-CB 3.08Å; F176-K179 PolarHBondContact O-N 3.14Å; F176-K179 VanDerWaalsContact O-N 3.15Å; A177-K179 VanDerWaalsContact C-N 3.35Å; K179-E181 VanDerWaalsContact C-N 3.27Å; K179-E181 PolarHBondContact O-N 3.44Å; K179-S182 PolarHBondContact O-N 2.64Å; K179-S182 PolarHBondContact O-OG 2.87Å; K179-M183 HydrophobicContact CD-CE 4.29Å; K179-M183 HydrophobicContact CG-CE 4.07Å
180E84.3Confident80.2Confident25 Ų2588.5 Ų88.512%0.11744%0.438CS..Hα-helixtrans-64.7-30.4176-77.2-165.3130.900112.8F176 A177 S182 M183 R188 G189F176-E180 HydrophobicContact CD1-CG 4.02Å; F176-E180 HydrophobicContact CE1-CG 3.62Å; F176-E180 WeakPolarHBondContact CE1-OE1 3.48Å; F176-E180 WeakPolarHBondContact CE1-OE2 3.31Å; F176-E180 HydrophobicContact CE2-CG 4.4Å; F176-E180 HydrophobicContact CZ-CG 3.82Å; F176-E180 WeakPolarHBondContact CZ-OE1 3.29Å; F176-E180 WeakPolarHBondContact O-CG 3.35Å; F176-E180 PolarHBondContact O-N 2.91Å; A177-E180 PolarHBondContact O-N 3.33Å; E180-S182 PolarHBondContact O-N 2.77Å; E180-M183 HydrophobicContact CG-SD 4.49Å; E180-M183 WeakPolarHBondContact O-CB 3.27Å; E180-M183 PolarHBondContact O-N 3.27Å; E180-R188 WeakPolarHBondContact O-CG 3.4Å; E180-R188 PolarHBondContact O-NE 2.86Å; E180-G189 VanDerWaalsContact OE1-CA 3.31Å; E180-G189 WeakPolarHBondContact OE1-CA 3.4Å; E180-G189 PolarHBondContact OE1-N 3.4Å
181E81.3Confident80.5Confident101 Ų10192.1 Ų92.147%0.47247%0.465SS..Hα-helixtrans-64.5-26.3177.8-82-178.8-154.500113.5A177 V178 K179 R188 K204A177-E181 WeakPolarHBondContact O-CG 3.32Å; A177-E181 PolarHBondContact O-N 2.9Å; A177-E181 VanDerWaalsContact O-N 3.15Å; V178-E181 PolarHBondContact O-N 3.26Å; K179-E181 VanDerWaalsContact C-N 3.27Å; K179-E181 PolarHBondContact O-N 3.44Å; E181-R188 PolarHBondContact O-NH2 3.07Å; E181-K204 IonicContact OE1-NZ 3.82Å; E181-K204 PolarHBondContact OE1-NZ 2.94Å; E181-K204 IonicContact OE2-NZ 2.75Å; E181-K204 PolarHBondContact OE2-NZ 2.98Å
182S79.1Confident81Confident103 Ų10392.6 Ų92.672%0.7247%0.466SS*.Hα-helixtrans-84.1-11.6172.161.90000113.4K179 E180K179-S182 PolarHBondContact O-N 2.64Å; K179-S182 PolarHBondContact O-OG 2.87Å; E180-S182 PolarHBondContact O-N 2.77Å
183M82.6Confident81.5Confident56 Ų5690.7 Ų90.728%0.27645%0.452SS..SBendtrans-79152178.7-63.1-176-176.600112.4K179 E180 L187 R188K179-M183 HydrophobicContact CD-CE 4.29Å; K179-M183 HydrophobicContact CG-CE 4.07Å; E180-M183 HydrophobicContact CG-SD 4.49Å; E180-M183 WeakPolarHBondContact O-CB 3.27Å; E180-M183 PolarHBondContact O-N 3.27Å; M183-L187 HydrophobicContact CB-CB 4.47Å; M183-R188 PolarHBondContact O-NE 3.15Å; M183-R188 PolarHBondContact O-NH2 3.42Å
184P83.2Confident81.8Confident85 Ų8595.8 Ų95.855%0.55248%0.476SS*.  trans-50.8140166.9-26.133.7000111.5R186 L187P184-R186 PolarHBondContact O-N 2.76Å; P184-L187 HydrophobicContact CG-CD1 4.34Å; P184-L187 PolarHBondContact O-N 2.9Å
185R81.5Confident81.9Confident218 Ų218103.3 Ų103.382%0.82351%0.511SS*.G310 helixtrans-53.5-28.7-174.9-73-173.9-178.3176.82.7114.4L187 R188R185-L187 VanDerWaalsContact C-N 3.31Å; R185-R188 PolarHBondContact O-N 2.68Å
186R81.5Confident82.2Confident247 Ų247101.2 Ų101.293%0.93251%0.507SS*.G310 helixtrans-70.3-25-179.7-60.2-177.7-175.8176.81.5113.3P184P184-R186 PolarHBondContact O-N 2.76Å
187L79.4Confident82.4Confident121 Ų121101.8 Ų101.863%0.63451%0.506SS*.G310 helixtrans-96.9-3.6-179.2-62.1178000112.9M183 P184 R185M183-L187 HydrophobicContact CB-CB 4.47Å; P184-L187 HydrophobicContact CG-CD1 4.34Å; P184-L187 PolarHBondContact O-N 2.9Å; R185-L187 VanDerWaalsContact C-N 3.31Å
188R82.3Confident82.5Confident105 Ų105106.8 Ų106.840%0.39653%0.527SS..  trans-75.6133.1178.8-61.7-176.6-168.2-161.3-5.1109.5E180 E181 M183 R185E180-R188 WeakPolarHBondContact O-CG 3.4Å; E180-R188 PolarHBondContact O-NE 2.86Å; E181-R188 PolarHBondContact O-NH2 3.07Å; M183-R188 PolarHBondContact O-NE 3.15Å; M183-R188 PolarHBondContact O-NH2 3.42Å; R185-R188 PolarHBondContact O-N 2.68Å
189G77.1Confident82.6Confident32 Ų32106.5 Ų106.533%0.3352%0.523SS..  trans-63.5-179.6170.800000113.2E180 S191E180-G189 VanDerWaalsContact OE1-CA 3.31Å; E180-G189 WeakPolarHBondContact OE1-CA 3.4Å; E180-G189 PolarHBondContact OE1-N 3.4Å; G189-S191 PolarHBondContact O-N 2.96Å
190P79.2Confident82.7Confident128 Ų128100.3 Ų100.383%0.83150%0.497SS*.SBendtrans-55.8136177.423.2-32.4000110.7L192P190-L192 PolarHBondContact O-N 3.48Å
191S80.7Confident82.8Confident94 Ų94107.1 Ų107.166%0.65753%0.526SS*.  trans-59.6131.4-178.467.90000110.8G189 R197G189-S191 PolarHBondContact O-N 2.96Å; S191-R197 PolarHBondContact OG-NH2 3.02Å
192L83.6Confident83Confident44 Ų44103.4 Ų103.423%0.2351%0.511CS..  trans-45.7150.5174.7-72.1179000112.6W173 A177 P190 D196 R197 L200W173-L192 HydrophobicContact CE3-CD1 4.43Å; W173-L192 HydrophobicContact CE3-CD2 4.31Å; W173-L192 HydrophobicContact CZ3-CD1 4.11Å; A177-L192 HydrophobicContact CB-CD1 3.72Å; A177-L192 HydrophobicContact CB-CG 4.43Å; P190-L192 PolarHBondContact O-N 3.48Å; L192-D196 HydrophobicContact CB-CB 4.07Å; L192-D196 HydrophobicContact CD1-CB 4.33Å; L192-D196 HydrophobicContact CD2-CB 4.19Å; L192-D196 HydrophobicContact CG-CB 4.44Å; L192-R197 HydrophobicContact CB-CG 3.72Å; L192-R197 VanDerWaalsContact O-CZ 3.23Å; L192-R197 PolarHBondContact O-NE 3.36Å; L192-R197 PolarHBondContact O-NH2 3.45Å; L192-L200 HydrophobicContact CD1-CD2 3.7Å
193C85.7Confident83.1Confident60 Ų6098.5 Ų98.541%0.40548%0.477SS..  trans-65.4163.7174.386.70000110.7Q195 D196 R197C193-Q195 PolarHBondContact O-N 3.49Å; C193-D196 PolarHBondContact O-N 2.84Å; C193-D196 PolarHBondContact SG-N 3.08Å; C193-D196 VanDerWaalsContact SG-N 3.42Å; C193-D196 PolarHBondContact SG-OD2 3.31Å; C193-R197 WeakPolarHBondContact O-CG 3.39Å; C193-R197 PolarHBondContact O-N 2.9Å
194K86.4Confident83.1Confident187 Ų18798.7 Ų98.781%0.81348%0.476SS*.Hα-helixtrans-59.2-35.6-176.8-174.4-178.8177-174.90112.5K198K194-K198 PolarHBondContact O-N 3.12Å
195Q84.9Confident83.1Confident158 Ų15896.8 Ų96.874%0.73847%0.472SS*.Hα-helixtrans-67.8-50.3178.8-69.5170.6-19.100110.6C193 R197 K198 L199C193-Q195 PolarHBondContact O-N 3.49Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 3.21Å; Q195-K198 WeakPolarHBondContact O-CA 3.38Å; Q195-K198 WeakPolarHBondContact O-CB 2.94Å; Q195-K198 PolarHBondContact O-N 3.2Å; Q195-L199 PolarHBondContact O-N 3.01Å
196D83.8Confident83.1Confident57 Ų5788.1 Ų88.131%0.30544%0.439SS..Hα-helixtrans-61.9-38178-59.3-23.8000112.3W173 L192 C193 K198 L199 L200W173-D196 HydrophobicContact CH2-CB 4.39Å; W173-D196 HydrophobicContact CZ3-CB 4.11Å; L192-D196 HydrophobicContact CB-CB 4.07Å; L192-D196 HydrophobicContact CD1-CB 4.33Å; L192-D196 HydrophobicContact CD2-CB 4.19Å; L192-D196 HydrophobicContact CG-CB 4.44Å; C193-D196 PolarHBondContact O-N 2.84Å; C193-D196 PolarHBondContact SG-N 3.08Å; C193-D196 VanDerWaalsContact SG-N 3.42Å; C193-D196 PolarHBondContact SG-OD2 3.31Å; D196-K198 VanDerWaalsContact C-N 3.31Å; D196-K198 PolarHBondContact O-N 2.8Å; D196-L199 PolarHBondContact O-N 3.46Å; D196-L200 VanDerWaalsContact O-CB 3.24Å; D196-L200 WeakPolarHBondContact O-CB 3.37Å; D196-L200 PolarHBondContact O-N 3.06Å
197R86.2Confident83Confident132 Ų13276.7 Ų76.750%0.49840%0.397SS..Hα-helixtrans-62.1-39.1173.2-70.8-174.7-145.6176.27.5112.3S191 L192 C193 Q195 K201S191-R197 PolarHBondContact OG-NH2 3.02Å; L192-R197 HydrophobicContact CB-CG 3.72Å; L192-R197 VanDerWaalsContact O-CZ 3.23Å; L192-R197 PolarHBondContact O-NE 3.36Å; L192-R197 PolarHBondContact O-NH2 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.39Å; C193-R197 PolarHBondContact O-N 2.9Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 3.21Å; R197-K201 WeakPolarHBondContact O-CB 3.17Å; R197-K201 PolarHBondContact O-N 2.71Å
198K86.3Confident83.1Confident110 Ų11076 Ų7648%0.47839%0.391SS..Hα-helixtrans-66-45.9177.1-173.6-169.6171.9-154.70109.8S141 K194 Q195 D196 K201 S202S141-K198 PolarHBondContact O-NZ 3.17Å; S141-K198 VanDerWaalsContact O-NZ 3.11Å; K194-K198 PolarHBondContact O-N 3.12Å; Q195-K198 WeakPolarHBondContact O-CA 3.38Å; Q195-K198 WeakPolarHBondContact O-CB 2.94Å; Q195-K198 PolarHBondContact O-N 3.2Å; D196-K198 VanDerWaalsContact C-N 3.31Å; D196-K198 PolarHBondContact O-N 2.8Å; K198-K201 WeakPolarHBondContact O-CB 3.44Å; K198-K201 PolarHBondContact O-N 3.36Å; K198-S202 PolarHBondContact O-N 3.01Å; K198-S202 PolarHBondContact O-OG 3.13Å
199L83.6Confident83Confident36 Ų3672.6 Ų72.619%0.18839%0.389CS..Hα-helixtrans-64.1-47.1178.3-178.357000111.9C140 W173 Q195 D196 K201 S202 L203C140-L199 HydrophobicContact CB-CD1 3.87Å; W173-L199 HydrophobicContact CH2-CB 4.27Å; W173-L199 HydrophobicContact CH2-CD2 4.1Å; W173-L199 HydrophobicContact CH2-CG 4.11Å; W173-L199 HydrophobicContact CZ2-CD2 3.67Å; W173-L199 HydrophobicContact CZ2-CG 4.11Å; Q195-L199 PolarHBondContact O-N 3.01Å; D196-L199 PolarHBondContact O-N 3.46Å; L199-K201 VanDerWaalsContact C-N 3.26Å; L199-K201 PolarHBondContact O-N 3.41Å; L199-S202 WeakPolarHBondContact O-CB 3.06Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-L203 HydrophobicContact CD1-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CG 4.26Å; L199-L203 HydrophobicContact CG-CD1 4.13Å; L199-L203 HydrophobicContact CG-CG 4.42Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 3.33Å
200L84.5Confident83.2Confident8 Ų871.6 Ų71.64%0.04238%0.376CS..Hα-helixtrans-56.6-41175-177.362.6000111.5W173 A174 A177 V178 L192 D196 L203 K204W173-L200 HydrophobicContact CH2-CB 4.26Å; W173-L200 HydrophobicContact CZ3-CB 4.07Å; W173-L200 HydrophobicContact CZ3-CD1 4.46Å; A174-L200 HydrophobicContact CB-CD1 3.87Å; A177-L200 HydrophobicContact CB-CD2 3.71Å; V178-L200 HydrophobicContact CG2-CD1 4.06Å; L192-L200 HydrophobicContact CD1-CD2 3.7Å; D196-L200 VanDerWaalsContact O-CB 3.24Å; D196-L200 WeakPolarHBondContact O-CB 3.37Å; D196-L200 PolarHBondContact O-N 3.06Å; L200-L203 PolarHBondContact O-N 3.44Å; L200-K204 HydrophobicContact CG-CD 4.34Å; L200-K204 WeakPolarHBondContact O-CB 3.45Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.19Å; L200-K204 PolarHBondContact O-N 2.82Å
201K86.7Confident83.3Confident167 Ų16767.7 Ų67.773%0.72635%0.348SS*.Hα-helixtrans-63.3-42.6175.4-171.9-179.9-180179.80111.9R197 K198 L199 G205R197-K201 WeakPolarHBondContact O-CB 3.17Å; R197-K201 PolarHBondContact O-N 2.71Å; K198-K201 WeakPolarHBondContact O-CB 3.44Å; K198-K201 PolarHBondContact O-N 3.36Å; L199-K201 VanDerWaalsContact C-N 3.26Å; L199-K201 PolarHBondContact O-N 3.41Å; K201-G205 PolarHBondContact O-N 3.05Å
202S83.8Confident83.3Confident23 Ų2369.2 Ų69.216%0.16134%0.344CS..Hα-helixtrans-62.5-49.5174.6-66.40000111.5C140 K198 L199 K204 G205 Y206C140-S202 VanDerWaalsContact O-CB 3.23Å; C140-S202 WeakPolarHBondContact O-CB 3.16Å; C140-S202 PolarHBondContact O-OG 3.32Å; K198-S202 PolarHBondContact O-N 3.01Å; K198-S202 PolarHBondContact O-OG 3.13Å; L199-S202 WeakPolarHBondContact O-CB 3.06Å; L199-S202 PolarHBondContact O-N 3.32Å; S202-K204 VanDerWaalsContact C-N 3.34Å; S202-K204 PolarHBondContact O-N 3.49Å; S202-G205 CarbonylContact O-C 3.58Å; S202-G205 WeakPolarHBondContact O-CA 3.23Å; S202-G205 PolarHBondContact O-N 3.19Å; S202-Y206 VanDerWaalsContact O-CD2 3.25Å; S202-Y206 WeakPolarHBondContact O-CD2 3.48Å; S202-Y206 PolarHBondContact O-N 2.76Å
203L81.2Confident83.3Confident0 Ų071.2 Ų71.20%035%0.349CS..Hα-helixtrans-57.7-44.9179-69.4173.2000111.9L137 C140 F168 L170 P171 W173 A174 L199 L200 G205 Y206 Q207L137-L203 HydrophobicContact CD2-CD2 3.9Å; C140-L203 HydrophobicContact CB-CD2 4.31Å; F168-L203 HydrophobicContact CD1-CD2 3.73Å; F168-L203 HydrophobicContact CE1-CD2 3.75Å; L170-L203 HydrophobicContact CD2-CB 3.77Å; L170-L203 HydrophobicContact CD2-CD1 4.21Å; L170-L203 HydrophobicContact CD2-CG 4.42Å; P171-L203 HydrophobicContact CG-CD1 4.36Å; W173-L203 HydrophobicContact CH2-CD1 4.43Å; W173-L203 HydrophobicContact CZ2-CD1 4.38Å; A174-L203 HydrophobicContact CB-CD1 4.14Å; L199-L203 HydrophobicContact CD1-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CG 4.26Å; L199-L203 HydrophobicContact CG-CD1 4.13Å; L199-L203 HydrophobicContact CG-CG 4.42Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 3.33Å; L200-L203 PolarHBondContact O-N 3.44Å; L203-G205 VanDerWaalsContact C-N 3.3Å; L203-G205 PolarHBondContact O-N 2.92Å; L203-Y206 PolarHBondContact O-N 2.98Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 2.59Å
204K83Confident83.1Confident61 Ų6168.6 Ų68.627%0.26533%0.331SS..Hα-helixtrans-60.1-39.1172.6-76.3178.8175.5-177.10112.8V178 E181 L200 S202 Q207 M208V178-K204 VanDerWaalsContact CG2-CE 3.46Å; E181-K204 IonicContact OE1-NZ 3.82Å; E181-K204 PolarHBondContact OE1-NZ 2.94Å; E181-K204 IonicContact OE2-NZ 2.75Å; E181-K204 PolarHBondContact OE2-NZ 2.98Å; L200-K204 HydrophobicContact CG-CD 4.34Å; L200-K204 WeakPolarHBondContact O-CB 3.45Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.19Å; L200-K204 PolarHBondContact O-N 2.82Å; S202-K204 VanDerWaalsContact C-N 3.34Å; S202-K204 PolarHBondContact O-N 3.49Å; K204-Q207 PolarHBondContact O-N 3.04Å; K204-M208 WeakPolarHBondContact O-CB 3.35Å; K204-M208 PolarHBondContact O-N 3.14Å
205G83.6Confident82.8Confident44 Ų4461.9 Ų61.945%0.45431%0.305SS..Hα-helixtrans-60.3-46174.300000112.2K201 S202 L203 M208 G209K201-G205 PolarHBondContact O-N 3.05Å; S202-G205 CarbonylContact O-C 3.58Å; S202-G205 WeakPolarHBondContact O-CA 3.23Å; S202-G205 PolarHBondContact O-N 3.19Å; L203-G205 VanDerWaalsContact C-N 3.3Å; L203-G205 PolarHBondContact O-N 2.92Å; G205-M208 PolarHBondContact O-N 3.14Å; G205-G209 PolarHBondContact O-N 3.01Å
206Y81.1Confident82.6Confident36 Ų3657.7 Ų57.714%0.14129%0.294CS..Hα-helixtrans-65.3-43.4176.6-62.2-50.3000112.3C140 D142 Y145 P147 S202 L203 M208 G209 H210C140-Y206 HydrophobicContact CB-CE2 3.93Å; D142-Y206 PolarHBondContact O-OH 2.91Å; Y145-Y206 HydrophobicContact CD1-CE1 4.34Å; Y145-Y206 HydrophobicContact CD1-CE2 4.17Å; Y145-Y206 AromaticContact CD1-CZ 3.81Å; Y145-Y206 WeakPolarHBondContact O-CE1 3.22Å; Y145-Y206 PolarHBondContact O-OH 2.75Å; P147-Y206 HydrophobicContact CG-CD1 4.04Å; P147-Y206 HydrophobicContact CG-CG 4.33Å; S202-Y206 VanDerWaalsContact O-CD2 3.25Å; S202-Y206 WeakPolarHBondContact O-CD2 3.48Å; S202-Y206 PolarHBondContact O-N 2.76Å; L203-Y206 PolarHBondContact O-N 2.98Å; Y206-M208 PolarHBondContact O-N 2.7Å; Y206-G209 PolarHBondContact O-N 2.87Å; Y206-H210 WeakPolarHBondContact O-CB 3.5Å; Y206-H210 PolarHBondContact O-N 2.83Å
207Q80.1Confident82.5Confident8 Ų856.5 Ų56.54%0.03729%0.288CS..Hα-helixtrans-57.7-50.1174.9-70.9-67.8-4.800111.7P165 F168 L170 L203 K204 G209 H210 I211P165-Q207 VanDerWaalsContact C-CD 3.47Å; P165-Q207 HydrophobicContact CB-CB 4.18Å; P165-Q207 HydrophobicContact CB-CG 3.92Å; P165-Q207 PolarHBondContact O-NE2 2.91Å; F168-Q207 PolarHBondContact O-NE2 2.5Å; L170-Q207 HydrophobicContact CD1-CG 4.5Å; L170-Q207 HydrophobicContact CD2-CG 4.21Å; L170-Q207 HydrophobicContact CG-CG 4.47Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 2.59Å; K204-Q207 PolarHBondContact O-N 3.04Å; Q207-G209 VanDerWaalsContact C-N 3.35Å; Q207-G209 PolarHBondContact O-N 2.88Å; Q207-H210 PolarHBondContact O-N 2.85Å; Q207-I211 WeakPolarHBondContact O-CG1 3.38Å; Q207-I211 PolarHBondContact O-N 2.86Å
208M80.9Confident81.9Confident106 Ų10651.2 Ų51.252%0.52227%0.27SS..Hα-helixtrans-63.2-41.9179.4-172.659.160.700111.6K204 G205 Y206 H210 I211 Q212K204-M208 WeakPolarHBondContact O-CB 3.35Å; K204-M208 PolarHBondContact O-N 3.14Å; G205-M208 PolarHBondContact O-N 3.14Å; Y206-M208 PolarHBondContact O-N 2.7Å; M208-H210 VanDerWaalsContact C-N 3.33Å; M208-H210 PolarHBondContact O-N 2.82Å; M208-I211 PolarHBondContact O-N 2.67Å; M208-Q212 WeakPolarHBondContact O-CB 3.29Å; M208-Q212 VanDerWaalsContact O-CG 3.25Å; M208-Q212 WeakPolarHBondContact O-CG 3.46Å; M208-Q212 PolarHBondContact O-N 2.85Å
209G81.7Confident81.3Confident34 Ų3454.5 Ų54.535%0.35128%0.28SS..Hα-helixtrans-62.3-39.5176.200000112.6G205 Y206 Q207 Q212 R213G205-G209 PolarHBondContact O-N 3.01Å; Y206-G209 PolarHBondContact O-N 2.87Å; Q207-G209 VanDerWaalsContact C-N 3.35Å; Q207-G209 PolarHBondContact O-N 2.88Å; G209-Q212 PolarHBondContact O-N 2.85Å; G209-R213 WeakPolarHBondContact O-CB 3.47Å; G209-R213 PolarHBondContact O-N 3.46Å
210H81.1Confident80.8Confident10 Ų1056.4 Ų56.45%0.04630%0.296CS..Hα-helixtrans-68.2-44.2175.7-178.469.2000112.1Y131 N162 Y206 Q207 M208 Q212 R213 L214Y131-H210 AromaticContact CE2-ND1 3.69Å; N162-H210 PolarHBondContact ND2-NE2 3.36Å; Y206-H210 WeakPolarHBondContact O-CB 3.5Å; Y206-H210 PolarHBondContact O-N 2.83Å; Q207-H210 PolarHBondContact O-N 2.85Å; M208-H210 VanDerWaalsContact C-N 3.33Å; M208-H210 PolarHBondContact O-N 2.82Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.36Å; H210-R213 WeakPolarHBondContact O-CA 3.33Å; H210-R213 VanDerWaalsContact O-CB 3.32Å; H210-R213 WeakPolarHBondContact O-CB 3.48Å; H210-R213 PolarHBondContact O-N 2.89Å; H210-R213 VanDerWaalsContact O-N 3.11Å; H210-L214 PolarHBondContact O-N 3.26Å
211I80.1Confident80Confident47 Ų4756.9 Ų56.924%0.24130%0.301CS..Hα-helixtrans-59.4-44.2174.4-67.7166.1000110.7Q207 M208 R213 L214 V215Q207-I211 WeakPolarHBondContact O-CG1 3.38Å; Q207-I211 PolarHBondContact O-N 2.86Å; M208-I211 PolarHBondContact O-N 2.67Å; I211-R213 VanDerWaalsContact C-N 3.29Å; I211-R213 PolarHBondContact O-N 2.84Å; I211-L214 PolarHBondContact O-N 3.46Å; I211-V215 WeakPolarHBondContact O-CG2 3.35Å; I211-V215 PolarHBondContact O-N 3.36Å
212Q81.9Confident78.7Confident126 Ų12650.9 Ų50.959%0.58928%0.28SS*.Hα-helixtrans-61.2-38.5175.5-74.7174.3-300112.2M208 G209 H210 S216M208-Q212 WeakPolarHBondContact O-CB 3.29Å; M208-Q212 VanDerWaalsContact O-CG 3.25Å; M208-Q212 WeakPolarHBondContact O-CG 3.46Å; M208-Q212 PolarHBondContact O-N 2.85Å; G209-Q212 PolarHBondContact O-N 2.85Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.36Å; Q212-S216 WeakPolarHBondContact O-CB 3.41Å; Q212-S216 PolarHBondContact O-N 2.78Å
213R82.8Confident77.3Confident85 Ų8554.6 Ų54.632%0.32131%0.306SS..Hα-helixtrans-61.2-50.4173.7-178-173.5-178.288.521.3110.9Y149 E157 G209 H210 I211 V215 S216 V217Y149-R213 VanDerWaalsContact CE2-CZ 3.45Å; Y149-R213 VanDerWaalsContact CG-NH2 3.34Å; E157-R213 IonicContact OE1-NE 2.59Å; E157-R213 PolarHBondContact OE1-NE 3Å; E157-R213 VanDerWaalsContact OE1-NE 3.15Å; E157-R213 IonicContact OE2-CZ 2.64Å; E157-R213 IonicContact OE2-NE 2.68Å; E157-R213 PolarHBondContact OE2-NE 3.28Å; E157-R213 IonicContact OE2-NH2 3.58Å; G209-R213 WeakPolarHBondContact O-CB 3.47Å; G209-R213 PolarHBondContact O-N 3.46Å; H210-R213 WeakPolarHBondContact O-CA 3.33Å; H210-R213 VanDerWaalsContact O-CB 3.32Å; H210-R213 WeakPolarHBondContact O-CB 3.48Å; H210-R213 PolarHBondContact O-N 2.89Å; H210-R213 VanDerWaalsContact O-N 3.11Å; I211-R213 VanDerWaalsContact C-N 3.29Å; I211-R213 PolarHBondContact O-N 2.84Å; R213-V215 PolarHBondContact O-N 2.92Å; R213-S216 CarbonylContact O-C 3.54Å; R213-S216 WeakPolarHBondContact O-CA 3.23Å; R213-S216 WeakPolarHBondContact O-CB 3.35Å; R213-S216 PolarHBondContact O-N 2.85Å; R213-S216 VanDerWaalsContact O-N 3.07Å; R213-V217 HydrophobicContact CG-CG2 4.13Å; R213-V217 WeakPolarHBondContact O-CG2 3.44Å; R213-V217 PolarHBondContact O-N 3.29Å
214L81.5Confident76.2Confident5 Ų556 Ų563%0.02632%0.318CS..Hα-helixtrans-55.6-51.9177.3-66.8-179.4000110.4I128 E157 A160 N162 H210 I211 S216 V217 T218I128-L214 HydrophobicContact CD1-CD2 4.31Å; E157-L214 HydrophobicContact CB-CD2 3.81Å; E157-L214 HydrophobicContact CG-CD2 3.79Å; A160-L214 HydrophobicContact CB-CD1 4.36Å; A160-L214 HydrophobicContact CB-CD2 4.22Å; N162-L214 HydrophobicContact CB-CD1 3.82Å; H210-L214 PolarHBondContact O-N 3.26Å; I211-L214 PolarHBondContact O-N 3.46Å; L214-S216 PolarHBondContact O-N 3.46Å; L214-S216 VanDerWaalsContact O-N 3.17Å; L214-V217 PolarHBondContact O-N 3.46Å; L214-V217 VanDerWaalsContact O-N 3.09Å; L214-T218 WeakPolarHBondContact O-CB 3.21Å; L214-T218 PolarHBondContact O-N 3.41Å; L214-T218 PolarHBondContact O-OG1 2.85Å
215V79.6Confident74.8Confident47 Ų4757.9 Ų57.929%0.28534%0.339SS..Hα-helixtrans-54.7-40.5176.31730000112I211 R213 R219I211-V215 WeakPolarHBondContact O-CG2 3.35Å; I211-V215 PolarHBondContact O-N 3.36Å; R213-V215 PolarHBondContact O-N 2.92Å; V215-R219 WeakPolarHBondContact O-CB 3.36Å; V215-R219 WeakPolarHBondContact O-CG 3.48Å; V215-R219 PolarHBondContact O-N 3.46Å
216S81.9Confident73.5Confident70 Ų7059.7 Ų59.749%0.4934%0.338SS..Hα-helixtrans-68.5-45.7176.8-170.80000112.8Q212 R213 L214 R219 S220Q212-S216 WeakPolarHBondContact O-CB 3.41Å; Q212-S216 PolarHBondContact O-N 2.78Å; R213-S216 CarbonylContact O-C 3.54Å; R213-S216 WeakPolarHBondContact O-CA 3.23Å; R213-S216 WeakPolarHBondContact O-CB 3.35Å; R213-S216 PolarHBondContact O-N 2.85Å; R213-S216 VanDerWaalsContact O-N 3.07Å; L214-S216 PolarHBondContact O-N 3.46Å; L214-S216 VanDerWaalsContact O-N 3.17Å; S216-R219 PolarHBondContact O-N 2.94Å; S216-S220 PolarHBondContact O-N 3.28Å; S216-S220 PolarHBondContact O-OG 2.88Å; S216-S220 VanDerWaalsContact O-OG 3.12Å
217V80Confident72.2Confident32 Ų3265.1 Ų65.119%0.19436%0.358CS..Hα-helixtrans-65.8-46.7-179172.20000110.1E157 R158 R213 L214 R219 S220 A221E157-V217 HydrophobicContact CB-CG1 4.04Å; R158-V217 HydrophobicContact CG-CG1 3.98Å; R213-V217 HydrophobicContact CG-CG2 4.13Å; R213-V217 WeakPolarHBondContact O-CG2 3.44Å; R213-V217 PolarHBondContact O-N 3.29Å; L214-V217 PolarHBondContact O-N 3.46Å; L214-V217 VanDerWaalsContact O-N 3.09Å; V217-R219 PolarHBondContact O-N 3.43Å; V217-S220 PolarHBondContact O-N 2.97Å; V217-S220 VanDerWaalsContact O-N 3.17Å; V217-A221 WeakPolarHBondContact O-CB 3.41Å; V217-A221 PolarHBondContact O-N 3.26Å
218T74.2Confident70.7Confident20 Ų2068.9 Ų68.912%0.12339%0.385CS..Hα-helixtrans-55.4-49.5174-59.30000110.2R158 L214 S220 A221 S222 I237R158-T218 PolarHBondContact O-OG1 3.15Å; L214-T218 WeakPolarHBondContact O-CB 3.21Å; L214-T218 PolarHBondContact O-N 3.41Å; L214-T218 PolarHBondContact O-OG1 2.85Å; T218-S220 PolarHBondContact O-N 3.45Å; T218-A221 PolarHBondContact O-N 2.94Å; T218-S222 PolarHBondContact O-N 2.76Å; T218-S222 VanDerWaalsContact O-N 3.15Å; T218-I237 HydrophobicContact CG2-CB 4.41Å; T218-I237 HydrophobicContact CG2-CG2 3.34Å; T218-I237 WeakPolarHBondContact CG2-O 3.46Å; T218-I237 WeakPolarHBondContact O-CG2 3.4Å
219R74Confident69.6Low180 Ų18066.7 Ų66.768%0.67938%0.375SS*.Hα-helixtrans-57.5-44.3174.8-76.9174.3-172.2-174.33.5113V215 S216 V217 S222V215-R219 WeakPolarHBondContact O-CB 3.36Å; V215-R219 WeakPolarHBondContact O-CG 3.48Å; V215-R219 PolarHBondContact O-N 3.46Å; S216-R219 PolarHBondContact O-N 2.94Å; V217-R219 PolarHBondContact O-N 3.43Å; R219-S222 WeakPolarHBondContact O-CB 3.26Å; R219-S222 PolarHBondContact O-N 2.86Å; R219-S222 PolarHBondContact O-OG 3.48Å
220S72.8Confident68.3Low76 Ų7670 Ų7053%0.53139%0.389SS..Hα-helixtrans-69.9-32.2178.4-59.70000113.2S216 V217 T218 S222 S223S216-S220 PolarHBondContact O-N 3.28Å; S216-S220 PolarHBondContact O-OG 2.88Å; S216-S220 VanDerWaalsContact O-OG 3.12Å; V217-S220 PolarHBondContact O-N 2.97Å; V217-S220 VanDerWaalsContact O-N 3.17Å; T218-S220 PolarHBondContact O-N 3.45Å; S220-S222 PolarHBondContact O-N 3.41Å; S220-S223 PolarHBondContact O-N 3.34Å; S220-S223 PolarHBondContact O-OG 2.9Å
221A67.8Low67.2Low17 Ų1776.4 Ų76.414%0.1442%0.423CS..Hα-helixtrans-68.3-23.5175.500000111.9R158 V217 T218 S223 A224R158-A221 HydrophobicContact CB-CB 4.02Å; R158-A221 HydrophobicContact CG-CB 3.84Å; V217-A221 WeakPolarHBondContact O-CB 3.41Å; V217-A221 PolarHBondContact O-N 3.26Å; T218-A221 PolarHBondContact O-N 2.94Å; A221-S223 PolarHBondContact O-N 2.98Å; A221-S223 VanDerWaalsContact O-N 3.12Å; A221-A224 WeakPolarHBondContact O-CB 3.39Å; A221-A224 PolarHBondContact O-N 3.04Å
222S59.8Low66.2Low42 Ų4275.1 Ų75.129%0.29442%0.417SS..THydrogen-bonded Turntrans-58.1-25.7175.278.40000113.3T218 R219 S220 R227 I237T218-S222 PolarHBondContact O-N 2.76Å; T218-S222 VanDerWaalsContact O-N 3.15Å; R219-S222 WeakPolarHBondContact O-CB 3.26Å; R219-S222 PolarHBondContact O-N 2.86Å; R219-S222 PolarHBondContact O-OG 3.48Å; S220-S222 PolarHBondContact O-N 3.41Å; S222-R227 PolarHBondContact O-NE 3.45Å; S222-R227 PolarHBondContact O-NH2 2.96Å; S222-I237 VanDerWaalsContact CA-CD1 3.48Å
223S54.9Low65Low100 Ų10072.5 Ų72.570%0.69941%0.41SS*.THydrogen-bonded Turntrans-93.91.317745.10000115.2S220 A221S220-S223 PolarHBondContact O-N 3.34Å; S220-S223 PolarHBondContact O-OG 2.9Å; A221-S223 PolarHBondContact O-N 2.98Å; A221-S223 VanDerWaalsContact O-N 3.12Å
224A56.8Low64Low29 Ų2970.7 Ų70.724%0.2441%0.41CS..SBendtrans-74.7150.7-175.900000113.3A221 D226A221-A224 WeakPolarHBondContact O-CB 3.39Å; A221-A224 PolarHBondContact O-N 3.04Å; A224-D226 PolarHBondContact O-N 2.81Å
225S54.7Low62.8Low101 Ų10171 Ų7171%0.70641%0.412SS*.G310 helixtrans-66.5-16.2-179.248.90000114.5R227 S228S225-R227 PolarHBondContact O-N 3.07Å; S225-S228 PolarHBondContact O-N 2.87Å; S225-S228 PolarHBondContact O-OG 3.33Å
226D56.2Low61.7Low82 Ų8270.9 Ų70.944%0.43941%0.412SS..G310 helixtrans-61.70.8178-64.8-25.2000114.5R158 A224 S228 R254R158-D226 IonicContact NH1-OD2 3.62Å; R158-D226 PolarHBondContact NH1-OD2 3.17Å; R158-D226 VanDerWaalsContact NH1-OD2 3.07Å; A224-D226 PolarHBondContact O-N 2.81Å; D226-S228 PolarHBondContact O-N 2.94Å; D226-R254 PolarHBondContact O-NE 3.09Å; D226-R254 PolarHBondContact O-NH2 2.8Å
227R53.6Low60.5Low151 Ų15169.7 Ų69.757%0.5740%0.4SS*.G310 helixtrans-60.8-19.5167.7-69.2-177.1175.2-153.3-0.2112.3S222 S225 I229 P234S222-R227 PolarHBondContact O-NE 3.45Å; S222-R227 PolarHBondContact O-NH2 2.96Å; S225-R227 PolarHBondContact O-N 3.07Å; R227-I229 PolarHBondContact O-N 2.93Å; R227-P234 HydrophobicContact CG-CG 4.36Å
228S49.2Very low58.9Low87 Ų8773 Ų7361%0.60843%0.431SS*.G310 helixtrans-83.411.9-173.764.30000116.3S225 D226 T230S225-S228 PolarHBondContact O-N 2.87Å; S225-S228 PolarHBondContact O-OG 3.33Å; D226-S228 PolarHBondContact O-N 2.94Å; S228-T230 VanDerWaalsContact O-CA 3.29Å; S228-T230 WeakPolarHBondContact O-CA 3.37Å; S228-T230 VanDerWaalsContact O-CG2 3.28Å; S228-T230 WeakPolarHBondContact O-CG2 3.28Å; S228-T230 PolarHBondContact O-N 3Å
229I56.9Low58Low59 Ų5979.2 Ų79.230%0.30345%0.452SS..SBendtrans-61.1110.3168.2-59-178.7000107.7R227 N231 I232 R254R227-I229 PolarHBondContact O-N 2.93Å; I229-N231 PolarHBondContact O-N 3.15Å; I229-I232 PolarHBondContact O-N 3.24Å; I229-R254 HydrophobicContact CD1-CG 3.51Å
230T54.1Low57.5Low104 Ų10474.6 Ų74.664%0.63844%0.439SS*.THydrogen-bonded Turntrans-66.41.5-138.838.50000118.3S228S228-T230 VanDerWaalsContact O-CA 3.29Å; S228-T230 WeakPolarHBondContact O-CA 3.37Å; S228-T230 VanDerWaalsContact O-CG2 3.28Å; S228-T230 WeakPolarHBondContact O-CG2 3.28Å; S228-T230 PolarHBondContact O-N 3Å
231N59Low57.7Low144 Ų14473.4 Ų73.477%0.7743%0.425SS*.THydrogen-bonded Turntrans-153.18.9177.4-76.6-49.6000114.7I229I229-N231 PolarHBondContact O-N 3.15Å
232I59.3Low58.6Low20 Ų2073 Ų7310%0.10342%0.421CS..SBendtrans-123.1116-173.7-54.3167.8000109.3R112 I229 L249 G250R112-I232 HydrophobicContact CG-CD1 4.35Å; I229-I232 PolarHBondContact O-N 3.24Å; I232-L249 HydrophobicContact CD1-CD2 3.66Å; I232-L249 HydrophobicContact CD1-CG 3.99Å; I232-L249 HydrophobicContact CG1-CD2 4.2Å; I232-L249 HydrophobicContact CG2-CD2 4.38Å; I232-L249 HydrophobicContact CG2-CG 4.44Å; I232-G250 VanDerWaalsContact CG2-CA 3.48Å
233P56.9Low60Low71 Ų7177.8 Ų77.846%0.46143%0.433SS..PPolyproline II helixtrans-57.8136.5-178.923.5-31.7000109.7D246P233-D246 HydrophobicContact CG-CB 4.26Å
234P59.9Low61.5Low48 Ų4873.9 Ų73.931%0.31241%0.409SS..PPolyproline II helixtrans-61.8143.7174.927.5-33.7000108.9R227R227-P234 HydrophobicContact CG-CG 4.36Å
235P58.2Low63Low11 Ų1173.7 Ų73.77%0.07141%0.405CS..PPolyproline II helixtrans-56141.1171.824.9-33000108.7I237 Q247 L251P235-I237 WeakPolarHBondContact O-CG1 3.47Å; P235-I237 PolarHBondContact O-N 2.87Å; P235-Q247 HydrophobicContact CB-CB 4.46Å; P235-L251 HydrophobicContact CG-CB 4.26Å
236P55.2Low64.5Low44 Ų4473.4 Ų73.429%0.28640%0.396SS..  trans-63.7103.6179.224.1-31000108.9A238 R239 Q247P236-A238 PolarHBondContact O-N 2.64Å; P236-R239 HydrophobicContact CB-CG 4.37Å; P236-R239 HydrophobicContact CG-CB 4.22Å; P236-R239 HydrophobicContact CG-CG 4.25Å; P236-R239 PolarHBondContact O-N 2.74Å; P236-Q247 VanDerWaalsContact CD-OE1 3.23Å
237I56.9Low65.9Low45 Ų4571.5 Ų71.523%0.23138%0.384CS..THydrogen-bonded Turntrans-59.9-18.6-176.4-69.8168.6000112.5T218 S222 P235 R239T218-I237 HydrophobicContact CG2-CB 4.41Å; T218-I237 HydrophobicContact CG2-CG2 3.34Å; T218-I237 WeakPolarHBondContact CG2-O 3.46Å; T218-I237 WeakPolarHBondContact O-CG2 3.4Å; S222-I237 VanDerWaalsContact CA-CD1 3.48Å; P235-I237 WeakPolarHBondContact O-CG1 3.47Å; P235-I237 PolarHBondContact O-N 2.87Å; I237-R239 VanDerWaalsContact C-N 3.29Å
238A47.3Very low67.7Low102 Ų10264.3 Ų64.384%0.84336%0.357SS*.THydrogen-bonded Turntrans-74.7-17.7172.700000113.7P236P236-A238 PolarHBondContact O-N 2.64Å
239R54.2Low69.7Low150 Ų15060.8 Ų60.857%0.56633%0.332SS*.SBendtrans-102.8130.8-179.6-63.9-172.8177.7169-0.3108.9P236 I237 E241P236-R239 HydrophobicContact CB-CG 4.37Å; P236-R239 HydrophobicContact CG-CB 4.22Å; P236-R239 HydrophobicContact CG-CG 4.25Å; P236-R239 PolarHBondContact O-N 2.74Å; I237-R239 VanDerWaalsContact C-N 3.29Å; R239-E241 PolarHBondContact O-N 2.84Å
240M62.9Low71.1Confident84 Ų8458 Ų5841%0.41432%0.317SS..SBendtrans-69.920.3178.2-73.5-57.8-91.200112V161V161-M240 HydrophobicContact CB-CE 4.47Å; V161-M240 VanDerWaalsContact CB-O 3.24Å; V161-M240 WeakPolarHBondContact CB-O 3.26Å; V161-M240 HydrophobicContact CG1-CB 3.42Å; V161-M240 VanDerWaalsContact CG1-CB 3.42Å; V161-M240 HydrophobicContact CG1-CE 3.51Å; V161-M240 HydrophobicContact CG1-CG 4.06Å; V161-M240 WeakPolarHBondContact CG1-O 3.5Å; V161-M240 HydrophobicContact CG1-SD 3.88Å; V161-M240 HydrophobicContact CG2-CB 4.41Å; V161-M240 WeakPolarHBondContact CG2-O 3.34Å
241E78.8Confident72.7Confident51 Ų5153.2 Ų53.224%0.23829%0.288CS..SBendtrans-172.1145.1-168.851.9-162.8-136.500109.8Y123 T125 R239 R243Y123-E241 HydrophobicContact CD2-CB 4.48Å; Y123-E241 HydrophobicContact CE2-CB 3.48Å; Y123-E241 VanDerWaalsContact CE2-CB 3.48Å; Y123-E241 HydrophobicContact CE2-CG 3.73Å; Y123-E241 WeakPolarHBondContact OH-CB 3.38Å; Y123-E241 VanDerWaalsContact OH-CD 3.3Å; Y123-E241 PolarHBondContact OH-OE2 2.69Å; T125-E241 HydrophobicContact CG2-CB 4.41Å; R239-E241 PolarHBondContact O-N 2.84Å; E241-R243 IonicContact OE1-CZ 3.4Å; E241-R243 IonicContact OE1-NE 3.67Å; E241-R243 PolarHBondContact OE1-NE 3.15Å; E241-R243 IonicContact OE1-NH2 3.44Å; E241-R243 PolarHBondContact OE1-NH2 3.26Å
242C85.6Confident74.2Confident9 Ų946.4 Ų46.46%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-90.8128.6172.8-65.20000109.2Y123 L124 Q247 V248Y123-C242 WeakPolarHBondContact CA-O 3.42Å; L124-C242 HydrophobicContact CB-CB 4.29Å; L124-C242 PolarHBondContact N-O 2.87Å; L124-C242 PolarHBondContact O-N 2.91Å; C242-Q247 HydrophobicContact CB-CB 4.01Å; C242-V248 HydrophobicContact CB-CG2 4.02Å
243R88.6Confident75.6Confident142 Ų14246.1 Ų46.154%0.53625%0.251SS..EExtended strand (participates in β ladder)trans-121.3125.4177.1-66.2-172.1177.7-140.81.2110.6Y123 E241 Q247Y123-R243 HydrophobicContact CD2-CG 3.99Å; Y123-R243 HydrophobicContact CE2-CG 4.33Å; E241-R243 IonicContact OE1-CZ 3.4Å; E241-R243 IonicContact OE1-NE 3.67Å; E241-R243 PolarHBondContact OE1-NE 3.15Å; E241-R243 IonicContact OE1-NH2 3.44Å; E241-R243 PolarHBondContact OE1-NH2 3.26Å; R243-Q247 WeakPolarHBondContact O-CG 3.18Å; R243-Q247 PolarHBondContact O-NE2 3.29Å; R243-Q247 PolarHBondContact O-OE1 2.96Å
244G87.9Confident77Confident18 Ų1844.1 Ų44.119%0.18623%0.234CC..SBendtrans84.2155.1-176.800000113.5P120 A122 D246 Q247 V248P120-G244 WeakPolarHBondContact O-CA 3.41Å; A122-G244 WeakPolarHBondContact O-CA 3.43Å; A122-G244 PolarHBondContact O-N 3.07Å; G244-D246 PolarHBondContact O-N 3.24Å; G244-D246 VanDerWaalsContact O-N 3.15Å; G244-Q247 PolarHBondContact O-N 2.98Å; G244-V248 WeakPolarHBondContact O-CG2 3.49Å; G244-V248 PolarHBondContact O-N 2.85Å; G244-V248 VanDerWaalsContact O-N 3.13Å
245S87.6Confident78.4Confident25 Ų2542 Ų4218%0.17522%0.22CC..Hα-helixtrans-52.5-38.7-173.854.80000113.6P120 L249P120-S245 PolarHBondContact O-N 3.1Å; S245-L249 VanDerWaalsContact O-CB 3.22Å; S245-L249 WeakPolarHBondContact O-CB 3.3Å; S245-L249 PolarHBondContact O-N 2.85Å
246D85.6Confident79.9Confident94 Ų9442.3 Ų42.350%0.50322%0.223SC..Hα-helixtrans-70.8-39.7-175.7-62.1-14.3000112.6P233 G244 G250P233-D246 HydrophobicContact CG-CB 4.26Å; G244-D246 PolarHBondContact O-N 3.24Å; G244-D246 VanDerWaalsContact O-N 3.15Å; D246-G250 PolarHBondContact O-N 3.02Å
247Q87.3Confident81.7Confident42 Ų4242.9 Ų42.920%0.19622%0.223CC..Hα-helixtrans-70.8-42177.7-65.3-179.119.500110.6P235 P236 C242 R243 G244 G250 L251P235-Q247 HydrophobicContact CB-CB 4.46Å; P236-Q247 VanDerWaalsContact CD-OE1 3.23Å; C242-Q247 HydrophobicContact CB-CB 4.01Å; R243-Q247 WeakPolarHBondContact O-CG 3.18Å; R243-Q247 PolarHBondContact O-NE2 3.29Å; R243-Q247 PolarHBondContact O-OE1 2.96Å; G244-Q247 PolarHBondContact O-N 2.98Å; Q247-G250 PolarHBondContact O-N 2.87Å; Q247-L251 PolarHBondContact O-N 2.74Å
248V90.3Very high83.5Confident0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-56.6-53.1173.9170.80000109.6Y118 L124 C242 G244 G250 L251 L252Y118-V248 HydrophobicContact CD1-CG1 3.76Å; Y118-V248 HydrophobicContact CD2-CG1 3.82Å; Y118-V248 HydrophobicContact CE1-CG1 3.55Å; Y118-V248 HydrophobicContact CE2-CG1 3.65Å; Y118-V248 HydrophobicContact CG-CG1 3.89Å; Y118-V248 VanDerWaalsContact CZ-CG1 3.5Å; L124-V248 HydrophobicContact CB-CG1 4.37Å; L124-V248 HydrophobicContact CB-CG2 3.84Å; L124-V248 HydrophobicContact CD1-CG1 3.84Å; C242-V248 HydrophobicContact CB-CG2 4.02Å; G244-V248 WeakPolarHBondContact O-CG2 3.49Å; G244-V248 PolarHBondContact O-N 2.85Å; G244-V248 VanDerWaalsContact O-N 3.13Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 2.83Å; V248-L251 WeakPolarHBondContact O-CB 3.21Å; V248-L251 PolarHBondContact O-N 3.39Å; V248-L251 VanDerWaalsContact O-N 3.15Å; V248-L252 HydrophobicContact CG1-CD1 3.8Å; V248-L252 HydrophobicContact CG1-CG 4.36Å; V248-L252 VanDerWaalsContact O-CG 3.32Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 2.84Å
249L90.7Very high85.8Confident14 Ų1436.4 Ų36.47%0.07318%0.175CC..Hα-helixtrans-58.7-43.6177.1-172.868.3000112R111 L114 I232 S245 L251 L252 C253R111-L249 WeakPolarHBondContact O-CD1 3.47Å; L114-L249 HydrophobicContact CB-CD1 3.94Å; I232-L249 HydrophobicContact CD1-CD2 3.66Å; I232-L249 HydrophobicContact CD1-CG 3.99Å; I232-L249 HydrophobicContact CG1-CD2 4.2Å; I232-L249 HydrophobicContact CG2-CD2 4.38Å; I232-L249 HydrophobicContact CG2-CG 4.44Å; S245-L249 VanDerWaalsContact O-CB 3.22Å; S245-L249 WeakPolarHBondContact O-CB 3.3Å; S245-L249 PolarHBondContact O-N 2.85Å; L249-L251 PolarHBondContact O-N 2.97Å; L249-L252 PolarHBondContact O-N 2.84Å; L249-C253 WeakPolarHBondContact O-CB 3.35Å; L249-C253 PolarHBondContact O-N 2.86Å; L249-C253 PolarHBondContact O-SG 2.84Å; L249-C253 VanDerWaalsContact O-SG 3.4Å
250G85.9Confident87.8Confident0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-58.9-34.6178.300000113.2I232 D246 Q247 V248 R254I232-G250 VanDerWaalsContact CG2-CA 3.48Å; D246-G250 PolarHBondContact O-N 3.02Å; Q247-G250 PolarHBondContact O-N 2.87Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 2.83Å; G250-R254 WeakPolarHBondContact O-CD 3.06Å; G250-R254 WeakPolarHBondContact O-CG 2.84Å; G250-R254 PolarHBondContact O-NH1 2.88Å
251L88.4Confident89.3Confident4 Ų425.6 Ų25.62%0.02113%0.13CC..Hα-helixtrans-72.7-54.2171.6171.863.8000111.8L124 F126 F159 P235 Q247 V248 L249 C253 R254 L255L124-L251 HydrophobicContact CD2-CD2 3.28Å; F126-L251 HydrophobicContact CB-CD2 4.01Å; F159-L251 HydrophobicContact CB-CD1 3.4Å; F159-L251 HydrophobicContact CD1-CD1 3.68Å; F159-L251 HydrophobicContact CD2-CD1 4.21Å; F159-L251 HydrophobicContact CG-CD1 3.49Å; F159-L251 VanDerWaalsContact CG-CD1 3.49Å; P235-L251 HydrophobicContact CG-CB 4.26Å; Q247-L251 PolarHBondContact O-N 2.74Å; V248-L251 WeakPolarHBondContact O-CB 3.21Å; V248-L251 PolarHBondContact O-N 3.39Å; V248-L251 VanDerWaalsContact O-N 3.15Å; L249-L251 PolarHBondContact O-N 2.97Å; L251-C253 VanDerWaalsContact C-N 3.26Å; L251-C253 PolarHBondContact O-N 3.35Å; L251-R254 PolarHBondContact O-N 2.86Å; L251-L255 HydrophobicContact CD1-CD1 4.22Å; L251-L255 HydrophobicContact CD1-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CG 4.09Å; L251-L255 HydrophobicContact CG-CD1 4.09Å; L251-L255 HydrophobicContact CG-CG 4.4Å; L251-L255 PolarHBondContact O-N 3.22Å
252L91.4Very high89.7Confident0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-58.7-38-174.1-63.4173000112.2F105 R111 L114 Y118 L124 V248 L249 R254 L255 W338F105-L252 HydrophobicContact CE2-CB 4.34Å; F105-L252 HydrophobicContact CE2-CD2 4.11Å; R111-L252 PolarHBondContact NH1-O 2.81Å; L114-L252 HydrophobicContact CB-CD1 4.24Å; L114-L252 HydrophobicContact CD1-CB 3.9Å; L114-L252 HydrophobicContact CD1-CD1 3.87Å; L114-L252 HydrophobicContact CD1-CG 4.47Å; Y118-L252 HydrophobicContact CE2-CD1 3.51Å; Y118-L252 VanDerWaalsContact OH-CD1 3.26Å; Y118-L252 WeakPolarHBondContact OH-CD1 3.49Å; L124-L252 HydrophobicContact CD1-CD2 3.87Å; L124-L252 HydrophobicContact CD1-CG 4.33Å; V248-L252 HydrophobicContact CG1-CD1 3.8Å; V248-L252 HydrophobicContact CG1-CG 4.36Å; V248-L252 VanDerWaalsContact O-CG 3.32Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 2.84Å; L249-L252 PolarHBondContact O-N 2.84Å; L252-R254 PolarHBondContact O-N 2.83Å; L252-L255 HydrophobicContact CD2-CD1 4.41Å; L252-W338 HydrophobicContact CD2-CE3 3.88Å; L252-W338 HydrophobicContact CD2-CZ3 3.53Å
253C88.4Confident89.8Confident15 Ų1529.3 Ų29.310%0.10115%0.145CC..THydrogen-bonded Turntrans-65.8-21.9175.6-74.20000113.9L249 L251L249-C253 WeakPolarHBondContact O-CB 3.35Å; L249-C253 PolarHBondContact O-N 2.86Å; L249-C253 PolarHBondContact O-SG 2.84Å; L249-C253 VanDerWaalsContact O-SG 3.4Å; L251-C253 VanDerWaalsContact C-N 3.26Å; L251-C253 PolarHBondContact O-N 3.35Å
254R85.3Confident89.5Confident28 Ų2829.9 Ų29.911%0.10616%0.158CC..THydrogen-bonded Turntrans-100.1-12.3-176.8-7317817485.4-0.3114.3F159 D226 I229 G250 L251 L252F159-R254 HydrophobicContact CE1-CB 4.15Å; F159-R254 HydrophobicContact CE2-CB 4Å; F159-R254 HydrophobicContact CZ-CB 3.54Å; F159-R254 HydrophobicContact CZ-CG 4.33Å; D226-R254 PolarHBondContact O-NE 3.09Å; D226-R254 PolarHBondContact O-NH2 2.8Å; I229-R254 HydrophobicContact CD1-CG 3.51Å; G250-R254 WeakPolarHBondContact O-CD 3.06Å; G250-R254 WeakPolarHBondContact O-CG 2.84Å; G250-R254 PolarHBondContact O-NH1 2.88Å; L251-R254 PolarHBondContact O-N 2.86Å; L252-R254 PolarHBondContact O-N 2.83Å
255L89.6Confident89.3Confident4 Ų437.9 Ų37.92%0.02118%0.183CC..SBendtrans-69.3155.1175.3-71.1169.4000110.8R111 F126 Y156 F159 L251 L252 W338R111-L255 PolarHBondContact NH1-O 2.69Å; F126-L255 HydrophobicContact CD1-CD2 4.15Å; F126-L255 HydrophobicContact CD2-CD1 4.13Å; F126-L255 HydrophobicContact CD2-CD2 4.46Å; F126-L255 HydrophobicContact CE1-CD2 3.81Å; F126-L255 HydrophobicContact CE2-CD1 4.16Å; F126-L255 HydrophobicContact CE2-CD2 4.13Å; F126-L255 HydrophobicContact CG-CD2 4.5Å; F126-L255 HydrophobicContact CZ-CD2 3.83Å; Y156-L255 HydrophobicContact CD1-CD2 4.08Å; F159-L255 HydrophobicContact CD2-CD2 3.98Å; L251-L255 HydrophobicContact CD1-CD1 4.22Å; L251-L255 HydrophobicContact CD1-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CG 4.09Å; L251-L255 HydrophobicContact CG-CD1 4.09Å; L251-L255 HydrophobicContact CG-CG 4.4Å; L251-L255 PolarHBondContact O-N 3.22Å; L252-L255 HydrophobicContact CD2-CD1 4.41Å; L255-W338 HydrophobicContact CB-CH2 4.38Å; L255-W338 HydrophobicContact CD1-CE3 3.78Å; L255-W338 HydrophobicContact CD1-CH2 3.46Å; L255-W338 VanDerWaalsContact CD1-CH2 3.46Å; L255-W338 HydrophobicContact CD1-CZ2 4.46Å; L255-W338 HydrophobicContact CD1-CZ3 3.08Å; L255-W338 HydrophobicContact CG-CZ3 4.43Å
256P90.4Very high89.3Confident18 Ų1838 Ų3812%0.11718%0.18CC..PPolyproline II helixtrans-53.3156.5177-29.638.6000113.7R111 T155 Y156 E289R111-P256 PolarHBondContact NH2-O 3.21Å; T155-P256 HydrophobicContact CG2-CG 3.84Å; Y156-P256 HydrophobicContact CD1-CG 4.18Å; Y156-P256 HydrophobicContact CD2-CG 4.49Å; Y156-P256 HydrophobicContact CE1-CB 4.4Å; Y156-P256 VanDerWaalsContact CE1-CD 3.46Å; Y156-P256 HydrophobicContact CE1-CG 3.67Å; Y156-P256 HydrophobicContact CE2-CG 3.96Å; P256-E289 HydrophobicContact CB-CG 4.03Å
257D92.1Very high89.5Confident56 Ų5634.5 Ų34.530%0.29916%0.163SC..PPolyproline II helixtrans-73.3128.2172.5-62.6-34.7000109.1K108 R111K108-D257 WeakPolarHBondContact CD-OD1 3.29Å; K108-D257 WeakPolarHBondContact CD-OD2 3.25Å; K108-D257 IonicContact NZ-OD2 3.07Å; K108-D257 PolarHBondContact NZ-OD2 3.27Å; R111-D257 IonicContact CZ-OD1 2.67Å; R111-D257 IonicContact NH1-OD1 3.6Å; R111-D257 IonicContact NH2-OD1 3.75Å; R111-D257 PolarHBondContact NH2-OD1 2.97Å
258L95.3Very high89.7Confident1 Ų137 Ų371%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-126137.2-177.4-66.2177.5000108.6F105 A287 A288 E289 R319 V321 W338F105-L258 HydrophobicContact CE1-CB 4.24Å; F105-L258 HydrophobicContact CE1-CD1 4.24Å; L258-A287 HydrophobicContact CB-CB 4.29Å; L258-A287 HydrophobicContact CD2-CB 4.39Å; L258-A288 WeakPolarHBondContact CA-O 3.24Å; L258-E289 HydrophobicContact CD2-CB 3.74Å; L258-E289 HydrophobicContact CD2-CG 4.19Å; L258-R319 HydrophobicContact CD2-CG 4.47Å; L258-V321 HydrophobicContact CD1-CG2 4.2Å; L258-W338 HydrophobicContact CD1-CH2 4.46Å; L258-W338 HydrophobicContact CD1-CZ2 3.92Å
259V96.2Very high89.7Confident9 Ų939.3 Ų39.36%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-104.3106.6167.6-177.60000107.4A287 A288 V359 F362V259-A287 CarbonylContact O-C 3.57Å; V259-A287 VanDerWaalsContact O-CA 3.23Å; V259-A287 WeakPolarHBondContact O-CA 3.36Å; V259-A288 HydrophobicContact CB-CB 4.42Å; V259-A288 PolarHBondContact N-O 2.92Å; V259-A288 PolarHBondContact O-N 3.26Å; V259-V359 HydrophobicContact CB-CG2 4.38Å; V259-V359 HydrophobicContact CG1-CG2 4.38Å; V259-F362 HydrophobicContact CG1-CB 3.74Å; V259-F362 HydrophobicContact CG1-CD1 4.46Å; V259-F362 HydrophobicContact CG1-CD2 4.35Å; V259-F362 HydrophobicContact CG1-CG 3.94Å; V259-F362 HydrophobicContact CG2-CB 4.33Å; V259-F362 HydrophobicContact CG2-CD1 3.53Å; V259-F362 HydrophobicContact CG2-CD2 4.42Å; V259-F362 HydrophobicContact CG2-CE1 3.81Å; V259-F362 HydrophobicContact CG2-CG 3.84Å; V259-F362 HydrophobicContact CG2-CZ 4.36Å
260H96.1Very high89.7Confident5 Ų539.9 Ų39.92%0.02319%0.19CC..EExtended strand (participates in β ladder)trans-78.7133.5-178.2-67.367.1000110.6I102 F105 D106 R262 C285I102-H260 HydrophobicContact CG2-CB 3.58Å; F105-H260 AromaticContact CD1-CE1 3.55Å; F105-H260 AromaticContact CE1-CE1 3.87Å; D106-H260 IonicContact OD1-CE1 3Å; D106-H260 PolarHBondContact OD1-CE1 3.21Å; D106-H260 IonicContact OD1-CG 3.09Å; D106-H260 IonicContact OD1-ND1 3.15Å; D106-H260 PolarHBondContact OD1-ND1 3.09Å; D106-H260 PolarHBondContact OD2-N 3.13Å; H260-R262 PolarHBondContact O-N 3.42Å; H260-C285 PolarHBondContact CD2-SG 3.22Å
261V93.9Very high89.9Confident2 Ų240.4 Ų40.41%0.01219%0.192CC..  trans-86109.4-179.1177.40000110.2S263 S267 I286 I354 I355 A358V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 2.8Å; V261-S267 PolarHBondContact O-OG 3.48Å; V261-I286 HydrophobicContact CB-CB 4.38Å; V261-I286 WeakPolarHBondContact CB-O 3.36Å; V261-I286 HydrophobicContact CG2-CB 4.39Å; V261-I286 HydrophobicContact CG2-CG2 4.36Å; V261-I286 PolarHBondContact N-O 3.49Å; V261-I354 HydrophobicContact CG1-CG2 3.46Å; V261-I354 VanDerWaalsContact CG1-CG2 3.46Å; V261-I355 HydrophobicContact CG2-CG1 4.06Å; V261-A358 HydrophobicContact CG2-CB 4.06Å
262R88.2Confident89.9Confident110 Ų11042.8 Ų42.842%0.41521%0.205SC..  trans-92.747.4-174.8-55.1-178.9-163.21672.2113.5N103 D106 H260N103-R262 PolarHBondContact OD1-NH1 3.34Å; N103-R262 PolarHBondContact OD1-NH2 2.56Å; D106-R262 IonicContact OD2-NH2 3.48Å; D106-R262 PolarHBondContact OD2-NH2 2.86Å; H260-R262 PolarHBondContact O-N 3.42Å
263S86.6Confident89.8Confident28 Ų2847.5 Ų47.520%0.19622%0.223CC..  trans-98.2131.2176.2178.10000110.1V261 R265 Y266 S267V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 2.8Å; S263-R265 PolarHBondContact O-N 3.45Å; S263-R265 PolarHBondContact OG-N 3.41Å; S263-Y266 CarbonylContact O-C 3.51Å; S263-Y266 PolarHBondContact O-N 3.28Å; S263-S267 WeakPolarHBondContact O-CB 3.46Å; S263-S267 PolarHBondContact O-N 2.88Å
264D82.8Confident89.7Confident154 Ų15448.7 Ų48.782%0.82423%0.231SC*.THydrogen-bonded Turntrans-54-22.2176.3-61.7-20.7000113.6
265R84Confident89.7Confident187 Ų18753.4 Ų53.471%0.70625%0.254SS*.THydrogen-bonded Turntrans-76.1-28.5176.3-66.3-171.8-178.5-172.71.8113.9S263S263-R265 PolarHBondContact O-N 3.45Å; S263-R265 PolarHBondContact OG-N 3.41Å
266Y86.9Confident89.4Confident28 Ų2858.6 Ų58.611%0.1128%0.282CS..THydrogen-bonded Turntrans-130.44.8-170.4-58.3-64.1000113.5S263 C285 I286 E350 C351 I354S263-Y266 CarbonylContact O-C 3.51Å; S263-Y266 PolarHBondContact O-N 3.28Å; Y266-C285 WeakPolarHBondContact O-CA 3.4Å; Y266-I286 HydrophobicContact CD1-CD1 3.76Å; Y266-I286 HydrophobicContact CG-CD1 3.84Å; Y266-I286 PolarHBondContact O-N 3.41Å; Y266-E350 PolarHBondContact OH-OE1 3.22Å; Y266-C351 WeakPolarHBondContact CE1-SG 3.39Å; Y266-C351 HydrophobicContact CE2-CB 4.45Å; Y266-I354 HydrophobicContact CD2-CD1 4.1Å; Y266-I354 HydrophobicContact CD2-CG2 4.36Å; Y266-I354 HydrophobicContact CE2-CD1 3.57Å
267S89.5Confident89.3Confident20 Ų2060.2 Ų60.214%0.1429%0.292CS..EExtended strand (participates in β ladder)trans-120.8122.3170.1-89.30000107.9V261 S263 Y283 S284 C285V261-S267 PolarHBondContact O-OG 3.48Å; S263-S267 WeakPolarHBondContact O-CB 3.46Å; S263-S267 PolarHBondContact O-N 2.88Å; S267-Y283 PolarHBondContact OG-OH 2.94Å; S267-S284 CarbonylContact C-O 3.53Å; S267-S284 WeakPolarHBondContact CA-O 3.38Å; S267-C285 VanDerWaalsContact OG-CB 3.22Å; S267-C285 WeakPolarHBondContact OG-CB 3.45Å
268H90.8Very high89.3Confident93 Ų9360 Ų6043%0.43129%0.291SS..EExtended strand (participates in β ladder)trans-123.1134-179.4-56.4-63.5000109.9Y283 S284H268-Y283 CarbonylContact O-C 3.49Å; H268-Y283 WeakPolarHBondContact O-CA 3.45Å; H268-Y283 WeakPolarHBondContact O-CD2 3.35Å; H268-S284 PolarHBondContact N-O 2.88Å; H268-S284 PolarHBondContact O-N 2.91Å
269L91.1Very high89.1Confident50 Ų5060.1 Ų60.126%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-119.6108.1172.2-171.2159.1000107.5L91 L94 V98 V271 R282L91-L269 HydrophobicContact CD2-CD2 4.45Å; L94-L269 HydrophobicContact CB-CD1 4Å; L94-L269 HydrophobicContact CB-CD2 4.17Å; L94-L269 HydrophobicContact CD1-CD2 4.11Å; V98-L269 HydrophobicContact CB-CD1 4.4Å; V98-L269 HydrophobicContact CG2-CD1 3.84Å; L269-V271 HydrophobicContact CD2-CG2 4.25Å; L269-R282 WeakPolarHBondContact CA-O 3.28Å
270D90Very high89Confident26 Ų2660.5 Ų60.514%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-108.7126.3178.3-53.8-55.5000109.6M281 R282D270-M281 CarbonylContact O-C 3.54Å; D270-M281 VanDerWaalsContact O-CA 3.25Å; D270-M281 WeakPolarHBondContact O-CA 3.47Å; D270-R282 HydrophobicContact CB-CB 4.31Å; D270-R282 PolarHBondContact N-O 3.26Å; D270-R282 PolarHBondContact O-N 3.45Å; D270-R282 IonicContact OD2-CZ 3.27Å; D270-R282 VanDerWaalsContact OD2-CZ 3.26Å; D270-R282 IonicContact OD2-NE 3.04Å; D270-R282 PolarHBondContact OD2-NE 3.41Å; D270-R282 IonicContact OD2-NH2 2.91Å; D270-R282 PolarHBondContact OD2-NH2 3.11Å
271V90.7Very high88.8Confident10 Ų1060.3 Ų60.36%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-86.4113.6169178.10000107.8Q83 C85 L91 L94 L269 V279Q83-V271 VanDerWaalsContact CB-O 3.23Å; Q83-V271 WeakPolarHBondContact CB-O 3.21Å; C85-V271 HydrophobicContact CB-CB 3.73Å; C85-V271 HydrophobicContact CB-CG1 4Å; C85-V271 HydrophobicContact CB-CG2 3.76Å; L91-V271 HydrophobicContact CD2-CG2 3.96Å; L94-V271 HydrophobicContact CD1-CG2 3.5Å; L94-V271 VanDerWaalsContact CD1-CG2 3.5Å; L269-V271 HydrophobicContact CD2-CG2 4.25Å; V271-V279 HydrophobicContact CG1-CG1 4.28Å
272I89.3Confident88.9Confident54 Ų5463.7 Ų63.728%0.27731%0.306SS..EExtended strand (participates in β ladder)trans-83.9-39.5-179.4-67.5169.7000109.9Q83 C280 R282 M324Q83-I272 VanDerWaalsContact CD-O 3.23Å; Q83-I272 PolarHBondContact NE2-O 2.95Å; Q83-I272 PolarHBondContact OE1-O 3.48Å; I272-C280 PolarHBondContact N-O 3.25Å; I272-R282 HydrophobicContact CD1-CB 3.88Å; I272-M324 HydrophobicContact CD1-CE 3.25Å; I272-M324 HydrophobicContact CD1-SD 3.38Å; I272-M324 WeakPolarHBondContact CD1-SD 3.37Å
273W87.9Confident89.2Confident99 Ų9959 Ų5938%0.37529%0.289SS..EExtended strand (participates in β ladder)trans-158.2146.8-179.1168.383.2000110E275 L278 C280W273-E275 VanDerWaalsContact CE2-CD 3.47Å; W273-E275 HydrophobicContact CH2-CB 4.03Å; W273-E275 HydrophobicContact CZ2-CB 3.39Å; W273-E275 HydrophobicContact CZ2-CG 3.61Å; W273-E275 WeakPolarHBondContact CZ2-OE2 3.33Å; W273-E275 VanDerWaalsContact NE1-CG 3.29Å; W273-E275 PolarHBondContact NE1-OE1 3.42Å; W273-L278 HydrophobicContact CH2-CB 3.91Å; W273-L278 HydrophobicContact CH2-CD1 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.71Å; W273-C280 HydrophobicContact CB-CB 4.19Å; W273-C280 HydrophobicContact CE3-CB 3.9Å; W273-C280 PolarHBondContact N-O 3.37Å; W273-C280 PolarHBondContact O-N 3.43Å
274S86.7Confident89.6Confident41 Ų4158.7 Ų58.729%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-147.8106178.8172.20000108.8I90I90-S274 WeakPolarHBondContact CD1-OG 3.25Å
275E85.3Confident90.2Very high126 Ų12651.4 Ų51.459%0.58925%0.247SC*.EExtended strand (participates in β ladder)trans-127.3107165.3-70.7170.2-156.900107.2W273 L278W273-E275 VanDerWaalsContact CE2-CD 3.47Å; W273-E275 HydrophobicContact CH2-CB 4.03Å; W273-E275 HydrophobicContact CZ2-CB 3.39Å; W273-E275 HydrophobicContact CZ2-CG 3.61Å; W273-E275 WeakPolarHBondContact CZ2-OE2 3.33Å; W273-E275 VanDerWaalsContact NE1-CG 3.29Å; W273-E275 PolarHBondContact NE1-OE1 3.42Å; E275-L278 CarbonylContact C-O 3.59Å; E275-L278 VanDerWaalsContact C-O 3.31Å; E275-L278 PolarHBondContact N-O 2.93Å; E275-L278 CarbonylContact O-C 3.54Å; E275-L278 WeakPolarHBondContact O-CA 3.39Å; E275-L278 PolarHBondContact O-N 2.91Å
276L82.8Confident90.7Very high113 Ų11342.7 Ų42.759%0.59222%0.215SC*.THydrogen-bonded Turntrans-56.7136.1-174.7-65.8178.7000110.7Q329L276-Q329 HydrophobicContact CD2-CB 4.38Å
277P89.2Confident91.2Very high53 Ų5341.4 Ų41.434%0.34421%0.21SC..THydrogen-bonded Turncis-9213.615.438.7-38.5000114.8H328 Q329P277-H328 WeakPolarHBondContact CB-NE2 3.35Å; P277-H328 CarbonylContact O-C 3.59Å; P277-H328 WeakPolarHBondContact O-CA 3.27Å; P277-Q329 HydrophobicContact CB-CG 3.83Å; P277-Q329 PolarHBondContact O-N 3.12Å
278L91.9Very high91.5Very high52 Ų5240.4 Ų40.427%0.27220%0.203SC..EExtended strand (participates in β ladder)trans-107.7142.2-174.3-61.1-179.8000112.8W273 E275 L327 H328 L334W273-L278 HydrophobicContact CH2-CB 3.91Å; W273-L278 HydrophobicContact CH2-CD1 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.71Å; E275-L278 CarbonylContact C-O 3.59Å; E275-L278 VanDerWaalsContact C-O 3.31Å; E275-L278 PolarHBondContact N-O 2.93Å; E275-L278 CarbonylContact O-C 3.54Å; E275-L278 WeakPolarHBondContact O-CA 3.39Å; E275-L278 PolarHBondContact O-N 2.91Å; L278-L327 WeakPolarHBondContact CA-O 3.29Å; L278-H328 HydrophobicContact CD2-CB 4.41Å; L278-L334 HydrophobicContact CD2-CD1 3.49Å; L278-L334 VanDerWaalsContact CD2-CD1 3.49Å
279V91Very high91.7Very high3 Ų336.5 Ų36.52%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-132.8128.6174.8-174.80000109I90 L94 V271 I326 L327I90-V279 HydrophobicContact CG2-CG1 4.41Å; L94-V279 HydrophobicContact CD1-CG1 3.93Å; L94-V279 HydrophobicContact CD2-CG1 4.2Å; V271-V279 HydrophobicContact CG1-CG1 4.28Å; V279-I326 WeakPolarHBondContact O-CA 3.33Å; V279-L327 PolarHBondContact N-O 2.95Å; V279-L327 PolarHBondContact O-N 3.45Å
280C93.8Very high91.8Very high17 Ų1736.9 Ų36.912%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-103.3120170.5-177.70000108.9I272 W273 L325I272-C280 PolarHBondContact N-O 3.25Å; W273-C280 HydrophobicContact CB-CB 4.19Å; W273-C280 HydrophobicContact CE3-CB 3.9Å; W273-C280 PolarHBondContact N-O 3.37Å; W273-C280 PolarHBondContact O-N 3.43Å; C280-L325 CarbonylContact C-O 3.58Å; C280-L325 WeakPolarHBondContact CA-O 3.49Å
281M93.4Very high92Very high1 Ų136.3 Ų36.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-128.7156.5178.874.2175-16600111.8L94 F97 V98 D270 M324 L325 L327L94-M281 HydrophobicContact CB-SD 4.1Å; L94-M281 HydrophobicContact CD1-CB 4.33Å; L94-M281 HydrophobicContact CD1-SD 4.12Å; L94-M281 HydrophobicContact CD2-SD 3.74Å; L94-M281 HydrophobicContact CG-SD 4.19Å; F97-M281 HydrophobicContact CD1-CE 3.96Å; F97-M281 HydrophobicContact CE1-CE 4.07Å; V98-M281 HydrophobicContact CG2-CE 3.28Å; V98-M281 HydrophobicContact CG2-SD 4.1Å; D270-M281 CarbonylContact O-C 3.54Å; D270-M281 VanDerWaalsContact O-CA 3.25Å; D270-M281 WeakPolarHBondContact O-CA 3.47Å; M281-M324 WeakPolarHBondContact O-CA 3.49Å; M281-L325 HydrophobicContact CE-CB 4.22Å; M281-L325 HydrophobicContact CE-CD1 3.64Å; M281-L325 HydrophobicContact CE-CD2 4.02Å; M281-L325 HydrophobicContact CE-CG 4.18Å; M281-L325 HydrophobicContact CG-CB 4.1Å; M281-L325 HydrophobicContact CG-CD1 4.19Å; M281-L325 PolarHBondContact N-O 2.76Å; M281-L325 PolarHBondContact O-N 2.8Å; M281-L327 HydrophobicContact CE-CD1 3.8Å; M281-L327 HydrophobicContact CG-CD1 3.75Å; M281-L327 HydrophobicContact SD-CD1 3.83Å
282R94.3Very high91.8Very high72 Ų7238.9 Ų38.927%0.27221%0.206SC..EExtended strand (participates in β ladder)trans-115.7123.5168.2-175.9175.263.7-171.41.7109.1L269 D270 I272 R323 M324L269-R282 WeakPolarHBondContact CA-O 3.28Å; D270-R282 HydrophobicContact CB-CB 4.31Å; D270-R282 PolarHBondContact N-O 3.26Å; D270-R282 PolarHBondContact O-N 3.45Å; D270-R282 IonicContact OD2-CZ 3.27Å; D270-R282 VanDerWaalsContact OD2-CZ 3.26Å; D270-R282 IonicContact OD2-NE 3.04Å; D270-R282 PolarHBondContact OD2-NE 3.41Å; D270-R282 IonicContact OD2-NH2 2.91Å; D270-R282 PolarHBondContact OD2-NH2 3.11Å; I272-R282 HydrophobicContact CD1-CB 3.88Å; R282-R323 CarbonylContact C-O 3.51Å; R282-R323 WeakPolarHBondContact CA-O 3.32Å; R282-M324 HydrophobicContact CB-SD 3.55Å; R282-M324 VanDerWaalsContact CB-SD 3.55Å; R282-M324 HydrophobicContact CG-SD 3.73Å
283Y94.9Very high91.5Very high13 Ų1346.1 Ų46.15%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-108122.5167.8178.2-115000109.5V98 I102 S267 H268 C285 C322 R323V98-Y283 HydrophobicContact CG1-CD1 4.05Å; V98-Y283 HydrophobicContact CG1-CD2 3.67Å; V98-Y283 HydrophobicContact CG1-CE1 4Å; V98-Y283 HydrophobicContact CG1-CE2 3.65Å; V98-Y283 HydrophobicContact CG1-CG 3.87Å; I102-Y283 HydrophobicContact CD1-CE1 3.92Å; I102-Y283 HydrophobicContact CG1-CE1 4Å; S267-Y283 PolarHBondContact OG-OH 2.94Å; H268-Y283 CarbonylContact O-C 3.49Å; H268-Y283 WeakPolarHBondContact O-CA 3.45Å; H268-Y283 WeakPolarHBondContact O-CD2 3.35Å; Y283-C285 HydrophobicContact CE1-CB 4.15Å; Y283-C285 HydrophobicContact CE2-CB 4.42Å; Y283-C285 WeakPolarHBondContact OH-CB 3.49Å; Y283-C322 CarbonylContact O-C 3.31Å; Y283-C322 WeakPolarHBondContact O-CA 3.48Å; Y283-R323 PolarHBondContact N-O 2.85Å; Y283-R323 PolarHBondContact O-N 2.9Å
284S94.9Very high91.4Very high20 Ų2048 Ų4814%0.1426%0.256CS..EExtended strand (participates in β ladder)trans-125.6132176.6-53.50000109.9S267 H268 V321S267-S284 CarbonylContact C-O 3.53Å; S267-S284 WeakPolarHBondContact CA-O 3.38Å; H268-S284 PolarHBondContact N-O 2.88Å; H268-S284 PolarHBondContact O-N 2.91Å; S284-V321 CarbonylContact C-O 3.46Å; S284-V321 VanDerWaalsContact CA-O 3.25Å; S284-V321 WeakPolarHBondContact CA-O 3.49Å
285C95.4Very high91.4Very high1 Ų147.5 Ų47.51%0.00725%0.251CS..EExtended strand (participates in β ladder)trans-150.5166.9174.678.50000113.2H260 Y266 S267 Y283 V321H260-C285 PolarHBondContact CD2-SG 3.22Å; Y266-C285 WeakPolarHBondContact O-CA 3.4Å; S267-C285 VanDerWaalsContact OG-CB 3.22Å; S267-C285 WeakPolarHBondContact OG-CB 3.45Å; Y283-C285 HydrophobicContact CE1-CB 4.15Å; Y283-C285 HydrophobicContact CE2-CB 4.42Å; Y283-C285 WeakPolarHBondContact OH-CB 3.49Å; C285-V321 PolarHBondContact N-O 3.2Å; C285-V321 PolarHBondContact O-N 2.77Å
286I95.7Very high91.5Very high5 Ų549.2 Ų49.23%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-82145.3165-58.1176.5000109V261 Y266 V318 R319 L343 C351 I355V261-I286 HydrophobicContact CB-CB 4.38Å; V261-I286 WeakPolarHBondContact CB-O 3.36Å; V261-I286 HydrophobicContact CG2-CB 4.39Å; V261-I286 HydrophobicContact CG2-CG2 4.36Å; V261-I286 PolarHBondContact N-O 3.49Å; Y266-I286 HydrophobicContact CD1-CD1 3.76Å; Y266-I286 HydrophobicContact CG-CD1 3.84Å; Y266-I286 PolarHBondContact O-N 3.41Å; I286-V318 HydrophobicContact CG2-CG1 3.42Å; I286-V318 VanDerWaalsContact CG2-CG1 3.42Å; I286-R319 CarbonylContact C-O 3.49Å; I286-R319 WeakPolarHBondContact CA-O 3.41Å; I286-L343 HydrophobicContact CD1-CD1 4.01Å; I286-L343 HydrophobicContact CD1-CD2 4.17Å; I286-L343 HydrophobicContact CG1-CD1 4.2Å; I286-L343 HydrophobicContact CG2-CD2 4.5Å; I286-C351 HydrophobicContact CD1-CB 4.08Å; I286-C351 VanDerWaalsContact CD1-SG 3.53Å; I286-I355 HydrophobicContact CG2-CD1 4.08Å; I286-I355 HydrophobicContact CG2-CG1 4.2Å
287A96.5Very high91.6Very high0 Ų048.8 Ų48.80%026%0.256CS..EExtended strand (participates in β ladder)trans-139.2147.9173.200000111.7L258 V259 R319 V321L258-A287 HydrophobicContact CB-CB 4.29Å; L258-A287 HydrophobicContact CD2-CB 4.39Å; V259-A287 CarbonylContact O-C 3.57Å; V259-A287 VanDerWaalsContact O-CA 3.23Å; V259-A287 WeakPolarHBondContact O-CA 3.36Å; A287-R319 PolarHBondContact N-O 3.03Å; A287-R319 PolarHBondContact O-N 3.42Å; A287-V321 HydrophobicContact CB-CG2 3.85Å
288A96.4Very high91.4Very high0 Ų049.5 Ų49.50%026%0.263CS..EExtended strand (participates in β ladder)trans-100.7124.8174.800000110.4L258 V259 Y316 I355 V359L258-A288 WeakPolarHBondContact CA-O 3.24Å; V259-A288 HydrophobicContact CB-CB 4.42Å; V259-A288 PolarHBondContact N-O 2.92Å; V259-A288 PolarHBondContact O-N 3.26Å; A288-Y316 HydrophobicContact CB-CD1 3.77Å; A288-Y316 HydrophobicContact CB-CG 4.3Å; A288-I355 HydrophobicContact CB-CG2 3.99Å; A288-V359 HydrophobicContact CB-CG2 3.61Å
289E95.5Very high91Very high10 Ų1048.5 Ų48.55%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-103.6124.2174.8-176.8-174.9161.400109.1Y156 P256 L258 V291 Y316 A317 R319Y156-E289 VanDerWaalsContact CE2-OE2 3.22Å; Y156-E289 WeakPolarHBondContact CE2-OE2 3.33Å; Y156-E289 VanDerWaalsContact OH-CD 3.23Å; Y156-E289 PolarHBondContact OH-OE2 3.45Å; P256-E289 HydrophobicContact CB-CG 4.03Å; L258-E289 HydrophobicContact CD2-CB 3.74Å; L258-E289 HydrophobicContact CD2-CG 4.19Å; E289-V291 PolarHBondContact O-N 3.42Å; E289-Y316 CarbonylContact O-C 3.55Å; E289-Y316 WeakPolarHBondContact O-CA 3.25Å; E289-A317 HydrophobicContact CB-CB 4.42Å; E289-A317 WeakPolarHBondContact CB-O 3.38Å; E289-A317 PolarHBondContact N-O 3.43Å; E289-A317 PolarHBondContact O-N 3.19Å; E289-R319 HydrophobicContact CB-CG 4.36Å; E289-R319 IonicContact OE1-NH2 3.26Å; E289-R319 IonicContact OE2-CZ 2.74Å; E289-R319 VanDerWaalsContact OE2-CZ 3.27Å; E289-R319 IonicContact OE2-NE 3.01Å; E289-R319 PolarHBondContact OE2-NE 2.87Å; E289-R319 IonicContact OE2-NH2 3.83Å; E289-R319 PolarHBondContact OE2-NH2 2.99Å
290S93.2Very high90.6Very high59 Ų5949.8 Ų49.841%0.41326%0.264SS..EExtended strand (participates in β ladder)trans-66.7129.7177.1-1750000110.5
291V92.4Very high89.9Confident14 Ų1456 Ų569%0.08529%0.292CS..PPolyproline II helixtrans-84.6122.1173.7178.10000108.7L152 E289 Q293 T295 L300 L307 N315 A317L152-V291 HydrophobicContact CD1-CG2 4.46Å; L152-V291 HydrophobicContact CD2-CG1 4.25Å; E289-V291 PolarHBondContact O-N 3.42Å; V291-Q293 PolarHBondContact O-N 2.75Å; V291-T295 HydrophobicContact CG1-CG2 4.36Å; V291-L300 HydrophobicContact CG1-CD2 3.9Å; V291-L307 HydrophobicContact CG2-CD2 3.8Å; V291-N315 HydrophobicContact CB-CB 4.19Å; V291-N315 WeakPolarHBondContact CB-O 3.48Å; V291-N315 HydrophobicContact CG2-CB 4.35Å; V291-N315 PolarHBondContact N-O 3.27Å; V291-A317 HydrophobicContact CG2-CB 4.2Å
292P88.1Confident88.9Confident64 Ų6458.3 Ų58.342%0.41632%0.316SS..PPolyproline II helixtrans-56.1136.7177.7-25.434.5000112D294 T295P292-D294 WeakPolarHBondContact CB-OD1 3.43Å; P292-D294 PolarHBondContact O-N 3.5Å; P292-T295 VanDerWaalsContact O-CB 3.23Å; P292-T295 WeakPolarHBondContact O-CB 3.22Å; P292-T295 PolarHBondContact O-N 2.6Å; P292-T295 PolarHBondContact O-OG1 2.95Å
293Q83.3Confident88.2Confident206 Ų20655 Ų5596%0.96330%0.303SS*.THydrogen-bonded Turntrans-62.8-24.7-176.4-67.1-177.2-2.600113.3V291 T295V291-Q293 PolarHBondContact O-N 2.75Å; Q293-T295 VanDerWaalsContact C-N 3.27Å
294D85.4Confident87.6Confident139 Ų13958.2 Ų58.274%0.74333%0.327SS*.THydrogen-bonded Turntrans-82.2-0.4176.764.3-40000113.5P292 R296P292-D294 WeakPolarHBondContact CB-OD1 3.43Å; P292-D294 PolarHBondContact O-N 3.5Å; D294-R296 PolarHBondContact O-N 3.43Å
295T85.8Confident87Confident30 Ų3060.7 Ų60.718%0.18434%0.339CS..  trans-64.6123.9176.6-52.60000110.3L152 V291 P292 Q293 D299 L300L152-T295 HydrophobicContact CD2-CG2 4.42Å; V291-T295 HydrophobicContact CG1-CG2 4.36Å; P292-T295 VanDerWaalsContact O-CB 3.23Å; P292-T295 WeakPolarHBondContact O-CB 3.22Å; P292-T295 PolarHBondContact O-N 2.6Å; P292-T295 PolarHBondContact O-OG1 2.95Å; Q293-T295 VanDerWaalsContact C-N 3.27Å; T295-D299 HydrophobicContact CG2-CB 4Å; T295-L300 HydrophobicContact CG2-CD2 3.57Å; T295-L300 HydrophobicContact CG2-CG 4.01Å
296R86.8Confident86.6Confident161 Ų16161.1 Ų61.161%0.60834%0.341SS*.  trans-65.3141.7-179-65.9176.6-73.7-163.9-8.5110.7D294 S298 D299D294-R296 PolarHBondContact O-N 3.43Å; R296-S298 PolarHBondContact O-N 3.09Å; R296-S298 VanDerWaalsContact O-N 3.14Å; R296-D299 HydrophobicContact CB-CB 4.5Å; R296-D299 IonicContact CZ-OD2 3.34Å; R296-D299 IonicContact NE-OD2 2.64Å; R296-D299 PolarHBondContact NE-OD2 2.86Å; R296-D299 IonicContact NH2-OD2 3.5Å; R296-D299 PolarHBondContact NH2-OD2 3.1Å; R296-D299 WeakPolarHBondContact O-CA 3.21Å; R296-D299 WeakPolarHBondContact O-CB 3.34Å; R296-D299 PolarHBondContact O-N 3.35Å
297P85Confident86.4Confident104 Ų10462.4 Ų62.468%0.67535%0.348SS*.Hα-helixtrans-53.5-37.2176.2-2834.9000113.6D299 L300 E301P297-D299 PolarHBondContact O-N 3.36Å; P297-L300 WeakPolarHBondContact O-CB 3.31Å; P297-L300 PolarHBondContact O-N 2.99Å; P297-E301 PolarHBondContact O-N 2.94Å
298S84.9Confident86.3Confident68 Ų6863.6 Ų63.648%0.47635%0.354SS..Hα-helixtrans-60.5-28.5175.958.50000113.6R296 L300R296-S298 PolarHBondContact O-N 3.09Å; R296-S298 VanDerWaalsContact O-N 3.14Å; S298-L300 VanDerWaalsContact C-N 3.27Å
299D83.7Confident86.1Confident32 Ų3269 Ų6917%0.17138%0.383CS..Hα-helixtrans-79.3-16.2179.9-63.3-23.3000111.2P151 T295 R296 P297P151-D299 HydrophobicContact CB-CB 3.91Å; P151-D299 HydrophobicContact CG-CB 3.86Å; T295-D299 HydrophobicContact CG2-CB 4Å; R296-D299 HydrophobicContact CB-CB 4.5Å; R296-D299 IonicContact CZ-OD2 3.34Å; R296-D299 IonicContact NE-OD2 2.64Å; R296-D299 PolarHBondContact NE-OD2 2.86Å; R296-D299 IonicContact NH2-OD2 3.5Å; R296-D299 PolarHBondContact NH2-OD2 3.1Å; R296-D299 WeakPolarHBondContact O-CA 3.21Å; R296-D299 WeakPolarHBondContact O-CB 3.34Å; R296-D299 PolarHBondContact O-N 3.35Å; P297-D299 PolarHBondContact O-N 3.36Å
300L83.9Confident86Confident29 Ų2968.6 Ų68.615%0.15238%0.381CS..Hα-helixtrans-96.6-22.3179.7-56.7-177.3000113.7L152 V291 T295 P297 S298 G302 I303 S304 L307L152-L300 HydrophobicContact CD1-CD2 3.39Å; L152-L300 HydrophobicContact CG-CD2 4.25Å; V291-L300 HydrophobicContact CG1-CD2 3.9Å; T295-L300 HydrophobicContact CG2-CD2 3.57Å; T295-L300 HydrophobicContact CG2-CG 4.01Å; P297-L300 WeakPolarHBondContact O-CB 3.31Å; P297-L300 PolarHBondContact O-N 2.99Å; S298-L300 VanDerWaalsContact C-N 3.27Å; L300-G302 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact O-N 3.1Å; L300-I303 PolarHBondContact O-N 2.93Å; L300-I303 VanDerWaalsContact O-N 3.07Å; L300-S304 PolarHBondContact O-N 2.8Å; L300-L307 HydrophobicContact CB-CD1 4.12Å; L300-L307 HydrophobicContact CD1-CD1 4.38Å; L300-L307 HydrophobicContact CD2-CD1 4.27Å
301E78.2Confident85.8Confident149 Ų14969.5 Ų69.570%0.69639%0.392SS*.G310 helixtrans-52.9-37.1-175.5-74.8178.9-168.300113.5P297 I303P297-E301 PolarHBondContact O-N 2.94Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.81Å
302G72.1Confident85.7Confident49 Ų4974.3 Ų74.351%0.50542%0.424SS..G310 helixtrans-82.1-1-176.100000115.7L300L300-G302 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact O-N 3.1Å
303I79.6Confident85.9Confident2 Ų274.7 Ų74.71%0.0142%0.417CS..G310 helixtrans-139.918-178.468138000112.8Q150 L152 L300 E301 D305 Q306 L307Q150-I303 HydrophobicContact CB-CG2 4.18Å; Q150-I303 VanDerWaalsContact CD-CG2 3.47Å; Q150-I303 HydrophobicContact CG-CG2 3.85Å; L152-I303 HydrophobicContact CB-CD1 4.39Å; L152-I303 HydrophobicContact CD1-CD1 3.1Å; L152-I303 HydrophobicContact CD1-CG1 3.92Å; L152-I303 HydrophobicContact CG-CD1 4.34Å; L300-I303 PolarHBondContact O-N 2.93Å; L300-I303 VanDerWaalsContact O-N 3.07Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.81Å; I303-D305 PolarHBondContact O-N 2.79Å; I303-D305 VanDerWaalsContact O-N 3.09Å; I303-Q306 HydrophobicContact CB-CB 4.44Å; I303-Q306 WeakPolarHBondContact O-CA 3.45Å; I303-Q306 WeakPolarHBondContact O-CB 3.23Å; I303-Q306 PolarHBondContact O-N 3.4Å; I303-L307 HydrophobicContact CD1-CD1 4.49Å; I303-L307 HydrophobicContact CD1-CD2 3.73Å; I303-L307 HydrophobicContact CD1-CG 4.03Å; I303-L307 HydrophobicContact CG1-CG 4.47Å
304S81.7Confident86.3Confident80 Ų8066.2 Ų66.256%0.55939%0.385SS*.G310 helixtrans-57.1-27.6-176.8550000113.1L300 Q306 L307L300-S304 PolarHBondContact O-N 2.8Å; S304-Q306 PolarHBondContact O-N 2.89Å; S304-L307 PolarHBondContact O-N 2.82Å
305D83.4Confident86.7Confident73 Ų7362.9 Ų62.939%0.3937%0.368SS..G310 helixtrans-75.7-3.5175.470.9-34.6000114.4I303 S345 L348I303-D305 PolarHBondContact O-N 2.79Å; I303-D305 VanDerWaalsContact O-N 3.09Å; D305-S345 WeakPolarHBondContact O-CB 3.46Å; D305-L348 WeakPolarHBondContact O-CD2 3.44Å
306Q86.6Confident87.1Confident9 Ų961.7 Ų61.74%0.04236%0.36CS..G310 helixtrans-111.4-2.5175.5-58.9166.941.400112.3I303 S304 V318 P342I303-Q306 HydrophobicContact CB-CB 4.44Å; I303-Q306 WeakPolarHBondContact O-CA 3.45Å; I303-Q306 WeakPolarHBondContact O-CB 3.23Å; I303-Q306 PolarHBondContact O-N 3.4Å; S304-Q306 PolarHBondContact O-N 2.89Å; Q306-V318 PolarHBondContact O-N 3.35Å; Q306-P342 HydrophobicContact CG-CB 4.18Å; Q306-P342 VanDerWaalsContact OE1-CB 3.29Å
307L91.8Very high87.5Confident33 Ų3354 Ų5417%0.17333%0.331CS..EExtended strand (participates in β ladder)trans-94.5137.8-177.3-65.9-179.9000111V291 L300 I303 S304 Y316 A317V291-L307 HydrophobicContact CG2-CD2 3.8Å; L300-L307 HydrophobicContact CB-CD1 4.12Å; L300-L307 HydrophobicContact CD1-CD1 4.38Å; L300-L307 HydrophobicContact CD2-CD1 4.27Å; I303-L307 HydrophobicContact CD1-CD1 4.49Å; I303-L307 HydrophobicContact CD1-CD2 3.73Å; I303-L307 HydrophobicContact CD1-CG 4.03Å; I303-L307 HydrophobicContact CG1-CG 4.47Å; S304-L307 PolarHBondContact O-N 2.82Å; L307-Y316 CarbonylContact C-O 3.54Å; L307-Y316 WeakPolarHBondContact CA-O 3.33Å; L307-A317 HydrophobicContact CD2-CB 4.02Å
308L93.5Very high87.9Confident25 Ų2549.1 Ų49.113%0.13130%0.299CS..EExtended strand (participates in β ladder)trans-122123.2170.1-174.364.9000108.5I310 Y316 V318 L348 I355L308-I310 HydrophobicContact CB-CG1 4.48Å; L308-I310 HydrophobicContact CD2-CD1 4.03Å; L308-I310 HydrophobicContact CD2-CG1 3.96Å; L308-I310 HydrophobicContact CG-CD1 4.41Å; L308-I310 HydrophobicContact CG-CG1 3.88Å; L308-Y316 PolarHBondContact N-O 3.01Å; L308-Y316 PolarHBondContact O-N 3.14Å; L308-V318 HydrophobicContact CB-CG2 4.15Å; L308-L348 HydrophobicContact CB-CD1 4.49Å; L308-I355 HydrophobicContact CD2-CB 3.95Å; L308-I355 HydrophobicContact CD2-CD1 4.43Å; L308-I355 HydrophobicContact CD2-CG2 3.8Å
309N93.4Very high88.4Confident112 Ų11245.9 Ų45.960%0.59928%0.276SS*.EExtended strand (participates in β ladder)trans-84.5117171.3-176.910.1000109G314N309-G314 PolarHBondContact OD1-O 3.39Å
310I93.3Very high88.9Confident2 Ų247.3 Ų47.31%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-114.895.2-178-53.4178.2000107.3L308 Y313 G314 Y316 I355 T356 V359L308-I310 HydrophobicContact CB-CG1 4.48Å; L308-I310 HydrophobicContact CD2-CD1 4.03Å; L308-I310 HydrophobicContact CD2-CG1 3.96Å; L308-I310 HydrophobicContact CG-CD1 4.41Å; L308-I310 HydrophobicContact CG-CG1 3.88Å; I310-Y313 HydrophobicContact CG2-CD2 3.93Å; I310-Y313 CarbonylContact O-C 3.6Å; I310-Y313 WeakPolarHBondContact O-CA 3.47Å; I310-Y313 PolarHBondContact O-N 2.77Å; I310-G314 PolarHBondContact N-O 3.33Å; I310-G314 PolarHBondContact O-N 2.86Å; I310-Y316 HydrophobicContact CB-CD2 4.07Å; I310-Y316 HydrophobicContact CB-CE2 4.33Å; I310-Y316 HydrophobicContact CD1-CD2 3.68Å; I310-Y316 HydrophobicContact CD1-CE2 4.36Å; I310-Y316 HydrophobicContact CD1-CG 3.93Å; I310-Y316 HydrophobicContact CG1-CD2 3.98Å; I310-I355 HydrophobicContact CD1-CG2 4.1Å; I310-T356 HydrophobicContact CG2-CG2 3.95Å; I310-V359 HydrophobicContact CD1-CB 3.92Å; I310-V359 HydrophobicContact CD1-CG1 4.15Å; I310-V359 HydrophobicContact CD1-CG2 3.69Å; I310-V359 HydrophobicContact CG2-CB 4.45Å; I310-V359 HydrophobicContact CG2-CG1 4.25Å
311A88.7Confident89.4Confident79 Ų7946 Ų4665%0.65328%0.277SS*.THydrogen-bonded Turntrans-69.5140.2177.100000111
312P90.5Very high90.2Very high115 Ų11540.6 Ų40.675%0.74726%0.255SS*.THydrogen-bonded Turncis-88.97.5-1.236.9-36.2000114.3
313Y91.5Very high91.3Very high71 Ų7138.3 Ų38.328%0.27823%0.231SC..THydrogen-bonded Turntrans-82.3-10.6-168.5-47.1-61.6000115.4I310 V359 M363I310-Y313 HydrophobicContact CG2-CD2 3.93Å; I310-Y313 CarbonylContact O-C 3.6Å; I310-Y313 WeakPolarHBondContact O-CA 3.47Å; I310-Y313 PolarHBondContact O-N 2.77Å; Y313-V359 HydrophobicContact CD2-CG1 3.96Å; Y313-V359 HydrophobicContact CG-CG1 4.42Å; Y313-M363 HydrophobicContact CD1-CB 3.99Å; Y313-M363 HydrophobicContact CD1-CG 3.67Å; Y313-M363 HydrophobicContact CD1-SD 4.36Å; Y313-M363 HydrophobicContact CD2-CG 4.28Å; Y313-M363 HydrophobicContact CE1-CB 3.43Å; Y313-M363 VanDerWaalsContact CE1-CB 3.43Å; Y313-M363 HydrophobicContact CE1-CG 3.67Å; Y313-M363 HydrophobicContact CE2-CB 4.25Å; Y313-M363 HydrophobicContact CE2-CG 4.28Å; Y313-M363 HydrophobicContact CG-CG 3.98Å
314G92.3Very high92.1Very high28 Ų2840.9 Ų40.929%0.28924%0.244SC..EExtended strand (participates in β ladder)trans95.6-156174.900000114.2N309 I310 Y316N309-G314 PolarHBondContact OD1-O 3.39Å; I310-G314 PolarHBondContact N-O 3.33Å; I310-G314 PolarHBondContact O-N 2.86Å; G314-Y316 WeakPolarHBondContact O-CD2 3.36Å
315N93.5Very high92.8Very high70 Ų7037.2 Ų37.237%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-86.2136.7-175-67.4-47.5000112V291V291-N315 HydrophobicContact CB-CB 4.19Å; V291-N315 WeakPolarHBondContact CB-O 3.48Å; V291-N315 HydrophobicContact CG2-CB 4.35Å; V291-N315 PolarHBondContact N-O 3.27Å
316Y94.9Very high93.3Very high5 Ų536.2 Ų36.22%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-123.5135175.1-73.3-99.4000110.3A288 E289 L307 L308 I310 G314 V359 M363A288-Y316 HydrophobicContact CB-CD1 3.77Å; A288-Y316 HydrophobicContact CB-CG 4.3Å; E289-Y316 CarbonylContact O-C 3.55Å; E289-Y316 WeakPolarHBondContact O-CA 3.25Å; L307-Y316 CarbonylContact C-O 3.54Å; L307-Y316 WeakPolarHBondContact CA-O 3.33Å; L308-Y316 PolarHBondContact N-O 3.01Å; L308-Y316 PolarHBondContact O-N 3.14Å; I310-Y316 HydrophobicContact CB-CD2 4.07Å; I310-Y316 HydrophobicContact CB-CE2 4.33Å; I310-Y316 HydrophobicContact CD1-CD2 3.68Å; I310-Y316 HydrophobicContact CD1-CE2 4.36Å; I310-Y316 HydrophobicContact CD1-CG 3.93Å; I310-Y316 HydrophobicContact CG1-CD2 3.98Å; G314-Y316 WeakPolarHBondContact O-CD2 3.36Å; Y316-V359 HydrophobicContact CD1-CG2 4.37Å; Y316-V359 HydrophobicContact CE1-CG1 4.11Å; Y316-V359 HydrophobicContact CE1-CG2 4.36Å; Y316-V359 HydrophobicContact CE2-CG1 4.05Å; Y316-M363 WeakPolarHBondContact OH-CE 3.38Å
317A94Very high93.7Very high0 Ų035.8 Ų35.80%021%0.21CC..EExtended strand (participates in β ladder)trans-86.7128.316700000109E289 V291 L307E289-A317 HydrophobicContact CB-CB 4.42Å; E289-A317 WeakPolarHBondContact CB-O 3.38Å; E289-A317 PolarHBondContact N-O 3.43Å; E289-A317 PolarHBondContact O-N 3.19Å; V291-A317 HydrophobicContact CG2-CB 4.2Å; L307-A317 HydrophobicContact CD2-CB 4.02Å
318V94.9Very high93.7Very high1 Ų137.1 Ų37.11%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-94.8125.1-176.9-176.10000110.5I286 Q306 L308 L343 L348 I355I286-V318 HydrophobicContact CG2-CG1 3.42Å; I286-V318 VanDerWaalsContact CG2-CG1 3.42Å; Q306-V318 PolarHBondContact O-N 3.35Å; L308-V318 HydrophobicContact CB-CG2 4.15Å; V318-L343 HydrophobicContact CB-CB 4.47Å; V318-L343 HydrophobicContact CG1-CB 3.97Å; V318-L343 HydrophobicContact CG1-CD2 3.61Å; V318-L343 HydrophobicContact CG1-CG 4.42Å; V318-L343 PolarHBondContact O-N 3.11Å; V318-L348 HydrophobicContact CB-CD1 3.69Å; V318-L348 HydrophobicContact CG1-CD1 4.08Å; V318-L348 HydrophobicContact CG2-CD1 3.42Å; V318-L348 VanDerWaalsContact CG2-CD1 3.42Å; V318-I355 HydrophobicContact CG1-CD1 3.76Å; V318-I355 HydrophobicContact CG2-CD1 4.06Å
319R94.4Very high93.3Very high0 Ų040.7 Ų40.70%023%0.231CC..EExtended strand (participates in β ladder)trans-114.2147.9-176-53-55.3-173.4-170.74.7110.6W153 L258 I286 A287 E289 V340 T341W153-R319 VanDerWaalsContact CE2-NH1 3.25Å; L258-R319 HydrophobicContact CD2-CG 4.47Å; I286-R319 CarbonylContact C-O 3.49Å; I286-R319 WeakPolarHBondContact CA-O 3.41Å; A287-R319 PolarHBondContact N-O 3.03Å; A287-R319 PolarHBondContact O-N 3.42Å; E289-R319 HydrophobicContact CB-CG 4.36Å; E289-R319 IonicContact OE1-NH2 3.26Å; E289-R319 IonicContact OE2-CZ 2.74Å; E289-R319 VanDerWaalsContact OE2-CZ 3.27Å; E289-R319 IonicContact OE2-NE 3.01Å; E289-R319 PolarHBondContact OE2-NE 2.87Å; E289-R319 IonicContact OE2-NH2 3.83Å; E289-R319 PolarHBondContact OE2-NH2 2.99Å; R319-V340 HydrophobicContact CB-CG1 3.95Å; R319-V340 HydrophobicContact CG-CG1 4.12Å; R319-T341 WeakPolarHBondContact CA-O 3.37Å
320L94.5Very high93.1Very high62 Ų6239 Ų3933%0.32523%0.228SC..EExtended strand (participates in β ladder)trans-95.7125159.3-176.771.5000107.7V340 T341L320-V340 WeakPolarHBondContact O-CA 3.49Å; L320-T341 PolarHBondContact N-O 3.34Å; L320-T341 PolarHBondContact O-N 2.89Å
321V95.3Very high93Very high0 Ų039.5 Ų39.50%023%0.234CC..EExtended strand (participates in β ladder)trans-108126.8178.4170.70000107.8L258 S284 C285 A287 R323L258-V321 HydrophobicContact CD1-CG2 4.2Å; S284-V321 CarbonylContact C-O 3.46Å; S284-V321 VanDerWaalsContact CA-O 3.25Å; S284-V321 WeakPolarHBondContact CA-O 3.49Å; C285-V321 PolarHBondContact N-O 3.2Å; C285-V321 PolarHBondContact O-N 2.77Å; A287-V321 HydrophobicContact CB-CG2 3.85Å; V321-R323 HydrophobicContact CG1-CG 4.18Å
322C94.6Very high93.3Very high36 Ų3639.2 Ų39.224%0.24322%0.218CC..EExtended strand (participates in β ladder)trans-127.6123.1173-179.50000109Y283 W338 C339Y283-C322 CarbonylContact O-C 3.31Å; Y283-C322 WeakPolarHBondContact O-CA 3.48Å; C322-W338 CarbonylContact O-C 3.59Å; C322-W338 WeakPolarHBondContact O-CA 3.35Å; C322-C339 PolarHBondContact N-O 3.15Å; C322-C339 PolarHBondContact O-N 3.07Å
323R95.3Very high93.7Very high2 Ų233.8 Ų33.81%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-120.7124.9177.3-62.9176.1-175-102.94.5108.6Y101 R282 Y283 V321 L325 E336 D337 W338Y101-R323 PolarHBondContact OH-NH1 2.77Å; R282-R323 CarbonylContact C-O 3.51Å; R282-R323 WeakPolarHBondContact CA-O 3.32Å; Y283-R323 PolarHBondContact N-O 2.85Å; Y283-R323 PolarHBondContact O-N 2.9Å; V321-R323 HydrophobicContact CG1-CG 4.18Å; R323-L325 HydrophobicContact CB-CD1 3.65Å; R323-L325 HydrophobicContact CB-CG 4.48Å; R323-L325 WeakPolarHBondContact O-CD1 3.45Å; R323-E336 VanDerWaalsContact CD-OE1 3.28Å; R323-E336 WeakPolarHBondContact CD-OE1 3.33Å; R323-E336 IonicContact CZ-OE1 3.59Å; R323-E336 IonicContact NE-OE1 2.68Å; R323-E336 IonicContact NH1-OE1 3.44Å; R323-E336 PolarHBondContact NH1-OE1 2.89Å; R323-D337 WeakPolarHBondContact CA-O 3.48Å; R323-W338 HydrophobicContact CG-CB 4.31Å; R323-W338 HydrophobicContact CG-CG 3.98Å; R323-W338 VanDerWaalsContact NH2-CZ2 3.26Å
324M95.3Very high93.9Very high55 Ų5532.8 Ų32.827%0.27118%0.182SC..EExtended strand (participates in β ladder)trans-101.2123.4168.6-76.7-72.2-49.900107.5I272 M281 R282 E336 D337I272-M324 HydrophobicContact CD1-CE 3.25Å; I272-M324 HydrophobicContact CD1-SD 3.38Å; I272-M324 WeakPolarHBondContact CD1-SD 3.37Å; M281-M324 WeakPolarHBondContact O-CA 3.49Å; R282-M324 HydrophobicContact CB-SD 3.55Å; R282-M324 VanDerWaalsContact CB-SD 3.55Å; R282-M324 HydrophobicContact CG-SD 3.73Å; M324-E336 CarbonylContact O-C 3.59Å; M324-E336 VanDerWaalsContact O-CA 3.27Å; M324-E336 WeakPolarHBondContact O-CA 3.42Å; M324-D337 HydrophobicContact CB-CB 4.16Å; M324-D337 PolarHBondContact N-O 3.29Å; M324-D337 PolarHBondContact O-N 2.75Å
325L96.1Very high94Very high4 Ų434.5 Ų34.52%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-125.9132-175-57.493.4000110.3F97 C280 M281 R323 L327 I333 Q335 E336F97-L325 HydrophobicContact CE1-CD2 4.31Å; C280-L325 CarbonylContact C-O 3.58Å; C280-L325 WeakPolarHBondContact CA-O 3.49Å; M281-L325 HydrophobicContact CE-CB 4.22Å; M281-L325 HydrophobicContact CE-CD1 3.64Å; M281-L325 HydrophobicContact CE-CD2 4.02Å; M281-L325 HydrophobicContact CE-CG 4.18Å; M281-L325 HydrophobicContact CG-CB 4.1Å; M281-L325 HydrophobicContact CG-CD1 4.19Å; M281-L325 PolarHBondContact N-O 2.76Å; M281-L325 PolarHBondContact O-N 2.8Å; R323-L325 HydrophobicContact CB-CD1 3.65Å; R323-L325 HydrophobicContact CB-CG 4.48Å; R323-L325 WeakPolarHBondContact O-CD1 3.45Å; L325-L327 HydrophobicContact CB-CD1 3.63Å; L325-L327 HydrophobicContact CB-CG 4.1Å; L325-I333 HydrophobicContact CD2-CD1 3.88Å; L325-I333 HydrophobicContact CD2-CG1 4.09Å; L325-Q335 CarbonylContact C-O 3.58Å; L325-Q335 WeakPolarHBondContact CA-O 3.21Å; L325-E336 HydrophobicContact CG-CG 4.37Å
326I95.5Very high94.1Very high52 Ų5231.2 Ų31.227%0.26717%0.165SC..EExtended strand (participates in β ladder)trans-104116.1163.6-55.6178.6000106.8V279 L334 Q335V279-I326 WeakPolarHBondContact O-CA 3.33Å; I326-L334 PolarHBondContact O-N 3.26Å; I326-Q335 HydrophobicContact CB-CB 4.18Å; I326-Q335 HydrophobicContact CD1-CB 4.21Å; I326-Q335 HydrophobicContact CD1-CG 4.41Å; I326-Q335 HydrophobicContact CG1-CB 4.34Å; I326-Q335 PolarHBondContact N-O 3.49Å; I326-Q335 PolarHBondContact O-N 2.94Å
327L94.2Very high93.9Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-119147.2-175.3-58.9118.8000110.8L94 F97 L278 V279 M281 L325 K332 I333L94-L327 HydrophobicContact CD2-CD1 4.37Å; F97-L327 HydrophobicContact CD1-CD2 4.03Å; F97-L327 HydrophobicContact CD2-CD2 4.32Å; F97-L327 HydrophobicContact CE1-CD2 3.41Å; F97-L327 VanDerWaalsContact CE1-CD2 3.41Å; F97-L327 HydrophobicContact CE2-CD2 3.71Å; F97-L327 HydrophobicContact CG-CD2 4.46Å; F97-L327 HydrophobicContact CZ-CD2 3.24Å; L278-L327 WeakPolarHBondContact CA-O 3.29Å; V279-L327 PolarHBondContact N-O 2.95Å; V279-L327 PolarHBondContact O-N 3.45Å; M281-L327 HydrophobicContact CE-CD1 3.8Å; M281-L327 HydrophobicContact CG-CD1 3.75Å; M281-L327 HydrophobicContact SD-CD1 3.83Å; L325-L327 HydrophobicContact CB-CD1 3.63Å; L325-L327 HydrophobicContact CB-CG 4.1Å; L327-K332 CarbonylContact C-O 3.54Å; L327-K332 WeakPolarHBondContact CA-O 3.48Å; L327-I333 HydrophobicContact CD2-CB 4.46Å; L327-I333 HydrophobicContact CD2-CG1 3.55Å; L327-I333 HydrophobicContact CG-CG1 4.32Å
328H92.2Very high93.9Very high61 Ų6133.2 Ų33.228%0.28218%0.176SC..EExtended strand (participates in β ladder)trans-83.2147160.9-173.1-99.8000109.9P277 L278 S330 G331 K332P277-H328 WeakPolarHBondContact CB-NE2 3.35Å; P277-H328 CarbonylContact O-C 3.59Å; P277-H328 WeakPolarHBondContact O-CA 3.27Å; L278-H328 HydrophobicContact CD2-CB 4.41Å; H328-S330 VanDerWaalsContact ND1-CB 3.35Å; H328-S330 WeakPolarHBondContact ND1-CB 3.37Å; H328-S330 PolarHBondContact ND1-N 3.35Å; H328-S330 PolarHBondContact ND1-OG 2.91Å; H328-S330 PolarHBondContact O-N 3.46Å; H328-G331 PolarHBondContact O-N 3.32Å; H328-K332 PolarHBondContact N-O 3.48Å
329Q85.1Confident93.8Very high100 Ų10034.8 Ų34.847%0.46719%0.186SC..THydrogen-bonded Turntrans-56.4-15.5-18068.3-177.1-1.700114.2F93 L276 P277 G331F93-Q329 WeakPolarHBondContact CZ-O 3.16Å; L276-Q329 HydrophobicContact CD2-CB 4.38Å; P277-Q329 HydrophobicContact CB-CG 3.83Å; P277-Q329 PolarHBondContact O-N 3.12Å; Q329-G331 PolarHBondContact O-N 3.39Å
330S89Confident93.7Very high76 Ų7634.8 Ų34.853%0.53119%0.186SC..THydrogen-bonded Turntrans-75.80.8171.167.10000114.2H328H328-S330 VanDerWaalsContact ND1-CB 3.35Å; H328-S330 WeakPolarHBondContact ND1-CB 3.37Å; H328-S330 PolarHBondContact ND1-N 3.35Å; H328-S330 PolarHBondContact ND1-OG 2.91Å; H328-S330 PolarHBondContact O-N 3.46Å
331G91.1Very high93.5Very high13 Ų1332.9 Ų32.913%0.13418%0.178CC..THydrogen-bonded Turntrans79.626.8-176.200000113.9F97 H328 Q329F97-G331 WeakPolarHBondContact CE2-O 3.48Å; H328-G331 PolarHBondContact O-N 3.32Å; Q329-G331 PolarHBondContact O-N 3.39Å
332K95.9Very high93.3Very high73 Ų7333 Ų3332%0.31718%0.178SC..EExtended strand (participates in β ladder)trans-105.7124.4176.3-64.4-63.8-173.2174.40110.5E116 F117 D119 L327 H328E116-K332 PolarHBondContact O-NZ 2.89Å; F117-K332 CarbonylContact O-C 3.49Å; F117-K332 WeakPolarHBondContact O-CA 3.37Å; D119-K332 HydrophobicContact CB-CB 4.45Å; L327-K332 CarbonylContact C-O 3.54Å; L327-K332 WeakPolarHBondContact CA-O 3.48Å; H328-K332 PolarHBondContact N-O 3.48Å
333I97.2Very high93Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-76.8122.9174.5-58164.3000108.4F97 Y101 F117 Y118 D119 A122 L325 L327 E336F97-I333 HydrophobicContact CE1-CD1 4.49Å; F97-I333 HydrophobicContact CE1-CG1 4.46Å; F97-I333 HydrophobicContact CZ-CD1 3.85Å; F97-I333 HydrophobicContact CZ-CG1 3.72Å; Y101-I333 HydrophobicContact CD2-CD1 4.19Å; Y101-I333 HydrophobicContact CE2-CD1 3.93Å; F117-I333 HydrophobicContact CB-CD1 4.21Å; F117-I333 PolarHBondContact O-N 3.4Å; Y118-I333 HydrophobicContact CD1-CB 3.61Å; Y118-I333 HydrophobicContact CD1-CD1 4.03Å; Y118-I333 HydrophobicContact CD1-CG1 4.41Å; Y118-I333 HydrophobicContact CD1-CG2 3.79Å; Y118-I333 HydrophobicContact CE1-CB 3.84Å; Y118-I333 HydrophobicContact CE1-CD1 3.59Å; Y118-I333 HydrophobicContact CE1-CG1 4.33Å; Y118-I333 HydrophobicContact CE1-CG2 3.68Å; Y118-I333 HydrophobicContact CE2-CD1 4.21Å; Y118-I333 HydrophobicContact CG-CB 4.38Å; D119-I333 WeakPolarHBondContact CB-O 3.45Å; D119-I333 PolarHBondContact N-O 3.17Å; A122-I333 WeakPolarHBondContact CB-O 3.22Å; L325-I333 HydrophobicContact CD2-CD1 3.88Å; L325-I333 HydrophobicContact CD2-CG1 4.09Å; L327-I333 HydrophobicContact CD2-CB 4.46Å; L327-I333 HydrophobicContact CD2-CG1 3.55Å; L327-I333 HydrophobicContact CG-CG1 4.32Å; I333-E336 HydrophobicContact CG2-CB 4.15Å
334L95.8Very high92.6Very high51 Ų5133.8 Ų33.827%0.26718%0.182SC..EExtended strand (participates in β ladder)trans-93.3-39.9173.2-64.5169.5000111.1D119 A122 Y123 L278 I326D119-L334 HydrophobicContact CB-CD2 3.7Å; A122-L334 CarbonylContact C-O 3.57Å; A122-L334 VanDerWaalsContact CA-O 3.29Å; A122-L334 WeakPolarHBondContact CA-O 3.29Å; Y123-L334 PolarHBondContact N-O 3.27Å; L278-L334 HydrophobicContact CD2-CD1 3.49Å; L278-L334 VanDerWaalsContact CD2-CD1 3.49Å; I326-L334 PolarHBondContact O-N 3.26Å
335Q95.2Very high92Very high64 Ų6433.9 Ų33.930%0.29919%0.188SC..EExtended strand (participates in β ladder)trans-141.5138177.7167.6168.1-16.500110.6Y123 L325 I326 D337Y123-Q335 HydrophobicContact CD1-CG 4.03Å; Y123-Q335 CarbonylContact O-C 3.51Å; Y123-Q335 VanDerWaalsContact O-CA 3.29Å; Y123-Q335 WeakPolarHBondContact O-CA 3.45Å; L325-Q335 CarbonylContact C-O 3.58Å; L325-Q335 WeakPolarHBondContact CA-O 3.21Å; I326-Q335 HydrophobicContact CB-CB 4.18Å; I326-Q335 HydrophobicContact CD1-CB 4.21Å; I326-Q335 HydrophobicContact CD1-CG 4.41Å; I326-Q335 HydrophobicContact CG1-CB 4.34Å; I326-Q335 PolarHBondContact N-O 3.49Å; I326-Q335 PolarHBondContact O-N 2.94Å; Q335-D337 PolarHBondContact NE2-OD2 2.99Å
336E95.3Very high91.4Very high0 Ų037.7 Ų37.70%022%0.216CC..EExtended strand (participates in β ladder)trans-130.9127.5170.2-176.8178.2-169.100111.2Y118 Y123 L124 T125 R323 M324 L325 I333 W338Y118-E336 PolarHBondContact OH-OE2 3.5Å; Y123-E336 PolarHBondContact O-N 3.12Å; L124-E336 VanDerWaalsContact CA-O 3.25Å; L124-E336 WeakPolarHBondContact CA-O 3.38Å; L124-E336 HydrophobicContact CD1-CB 4.4Å; L124-E336 WeakPolarHBondContact CD1-OE2 3.38Å; L124-E336 HydrophobicContact CG-CB 4.22Å; T125-E336 PolarHBondContact N-O 3.33Å; R323-E336 VanDerWaalsContact CD-OE1 3.28Å; R323-E336 WeakPolarHBondContact CD-OE1 3.33Å; R323-E336 IonicContact CZ-OE1 3.59Å; R323-E336 IonicContact NE-OE1 2.68Å; R323-E336 IonicContact NH1-OE1 3.44Å; R323-E336 PolarHBondContact NH1-OE1 2.89Å; M324-E336 CarbonylContact O-C 3.59Å; M324-E336 VanDerWaalsContact O-CA 3.27Å; M324-E336 WeakPolarHBondContact O-CA 3.42Å; L325-E336 HydrophobicContact CG-CG 4.37Å; I333-E336 HydrophobicContact CG2-CB 4.15Å; E336-W338 HydrophobicContact CG-CB 4.44Å
337D92Very high91Very high48 Ų4841 Ų4126%0.25723%0.226SC..EExtended strand (participates in β ladder)trans-111.1110.9166.1-61.9-52.4000108.5T125 R323 M324 Q335T125-D337 PolarHBondContact OG1-OD1 3.47Å; R323-D337 WeakPolarHBondContact CA-O 3.48Å; M324-D337 HydrophobicContact CB-CB 4.16Å; M324-D337 PolarHBondContact N-O 3.29Å; M324-D337 PolarHBondContact O-N 2.75Å; Q335-D337 PolarHBondContact NE2-OD2 2.99Å
338W93.4Very high90.7Very high0 Ų041.7 Ų41.70%023%0.229CC..EExtended strand (participates in β ladder)trans-109.4121.6-176.2-179.811.6000110.4F105 T125 F126 Q127 L252 L255 L258 C322 R323 E336 V340F105-W338 HydrophobicContact CE1-CH2 4.08Å; F105-W338 AromaticContact CE2-CH2 3.71Å; F105-W338 HydrophobicContact CE2-CH2 3.71Å; F105-W338 AromaticContact CE2-CZ3 3.78Å; F105-W338 HydrophobicContact CE2-CZ3 3.78Å; F105-W338 AromaticContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CZ2 4.32Å; F105-W338 AromaticContact CZ-CZ3 3.91Å; F105-W338 HydrophobicContact CZ-CZ3 3.91Å; T125-W338 PolarHBondContact O-N 3.37Å; F126-W338 CarbonylContact C-O 3.59Å; F126-W338 WeakPolarHBondContact CA-O 3.2Å; F126-W338 HydrophobicContact CD2-CB 4.17Å; F126-W338 AromaticContact CD2-CD2 3.75Å; F126-W338 HydrophobicContact CD2-CD2 3.75Å; F126-W338 AromaticContact CD2-CE3 3.91Å; F126-W338 HydrophobicContact CD2-CE3 3.91Å; F126-W338 AromaticContact CD2-CG 3.91Å; F126-W338 HydrophobicContact CD2-CG 3.91Å; F126-W338 AromaticContact CE2-CD2 3.78Å; F126-W338 HydrophobicContact CE2-CD2 3.78Å; F126-W338 AromaticContact CE2-CE2 3.85Å; F126-W338 HydrophobicContact CE2-CE3 4.16Å; F126-W338 HydrophobicContact CE2-CG 4.11Å; F126-W338 HydrophobicContact CE2-CZ2 4.22Å; Q127-W338 PolarHBondContact N-O 3.18Å; L252-W338 HydrophobicContact CD2-CE3 3.88Å; L252-W338 HydrophobicContact CD2-CZ3 3.53Å; L255-W338 HydrophobicContact CB-CH2 4.38Å; L255-W338 HydrophobicContact CD1-CE3 3.78Å; L255-W338 HydrophobicContact CD1-CH2 3.46Å; L255-W338 VanDerWaalsContact CD1-CH2 3.46Å; L255-W338 HydrophobicContact CD1-CZ2 4.46Å; L255-W338 HydrophobicContact CD1-CZ3 3.08Å; L255-W338 HydrophobicContact CG-CZ3 4.43Å; L258-W338 HydrophobicContact CD1-CH2 4.46Å; L258-W338 HydrophobicContact CD1-CZ2 3.92Å; C322-W338 CarbonylContact O-C 3.59Å; C322-W338 WeakPolarHBondContact O-CA 3.35Å; R323-W338 HydrophobicContact CG-CB 4.31Å; R323-W338 HydrophobicContact CG-CG 3.98Å; R323-W338 VanDerWaalsContact NH2-CZ2 3.26Å; E336-W338 HydrophobicContact CG-CB 4.44Å; W338-V340 HydrophobicContact CZ2-CG2 4.16Å; W338-V340 VanDerWaalsContact NE1-CG2 3.33Å
339C91.9Very high90.3Very high33 Ų3346.6 Ų46.622%0.22325%0.252CS..EExtended strand (participates in β ladder)trans-115.3137.5173.9-173.10000111.8Q127 C322Q127-C339 HydrophobicContact CB-CB 4.26Å; Q127-C339 WeakPolarHBondContact O-CA 3.42Å; C322-C339 PolarHBondContact N-O 3.15Å; C322-C339 PolarHBondContact O-N 3.07Å
340V92.4Very high90.4Very high0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-119.8129.4172.6-177.80000110.2F126 Q127 I128 A129 W153 Y156 R319 L320 W338F126-V340 HydrophobicContact CE2-CG2 3.71Å; F126-V340 HydrophobicContact CZ-CB 4.41Å; F126-V340 HydrophobicContact CZ-CG2 3.9Å; Q127-V340 PolarHBondContact O-N 3.22Å; I128-V340 WeakPolarHBondContact CA-O 3.25Å; I128-V340 HydrophobicContact CG2-CB 4.46Å; A129-V340 PolarHBondContact N-O 3.01Å; A129-V340 VanDerWaalsContact N-O 3.1Å; W153-V340 HydrophobicContact CH2-CG1 4Å; W153-V340 HydrophobicContact CZ3-CB 4.32Å; W153-V340 HydrophobicContact CZ3-CG1 3.88Å; Y156-V340 HydrophobicContact CE1-CG2 4.49Å; R319-V340 HydrophobicContact CB-CG1 3.95Å; R319-V340 HydrophobicContact CG-CG1 4.12Å; L320-V340 WeakPolarHBondContact O-CA 3.49Å; W338-V340 HydrophobicContact CZ2-CG2 4.16Å; W338-V340 VanDerWaalsContact NE1-CG2 3.33Å
341T91.2Very high90.5Very high23 Ų2343.8 Ų43.814%0.14123%0.231CC..EExtended strand (participates in β ladder)trans-131.915917879.50000110.6A129 V132 R319 L320A129-T341 HydrophobicContact CB-CG2 3.8Å; V132-T341 HydrophobicContact CG1-CG2 4.47Å; R319-T341 WeakPolarHBondContact CA-O 3.37Å; L320-T341 PolarHBondContact N-O 3.34Å; L320-T341 PolarHBondContact O-N 2.89Å
342P90Very high90.6Very high1 Ų144.7 Ų44.71%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-62.5149.9166.828.1-35.2000110.6A129 V132 C133 W153 Q306A129-P342 WeakPolarHBondContact O-CD 3.46Å; V132-P342 HydrophobicContact CG1-CG 3.91Å; C133-P342 HydrophobicContact CB-CG 4.04Å; W153-P342 HydrophobicContact CZ2-CB 4.22Å; W153-P342 HydrophobicContact CZ2-CG 4.35Å; Q306-P342 HydrophobicContact CG-CB 4.18Å; Q306-P342 VanDerWaalsContact OE1-CB 3.29Å
343L89.6Confident90.5Very high11 Ų1147.7 Ų47.76%0.05825%0.254CS..PPolyproline II helixtrans-77.2132.1164.5-174.670.7000108.4I286 V318 S345 L348I286-L343 HydrophobicContact CD1-CD1 4.01Å; I286-L343 HydrophobicContact CD1-CD2 4.17Å; I286-L343 HydrophobicContact CG1-CD1 4.2Å; I286-L343 HydrophobicContact CG2-CD2 4.5Å; V318-L343 HydrophobicContact CB-CB 4.47Å; V318-L343 HydrophobicContact CG1-CB 3.97Å; V318-L343 HydrophobicContact CG1-CD2 3.61Å; V318-L343 HydrophobicContact CG1-CG 4.42Å; V318-L343 PolarHBondContact O-N 3.11Å; L343-S345 PolarHBondContact O-N 3.05Å; L343-L348 HydrophobicContact CD2-CB 4.31Å; L343-L348 HydrophobicContact CD2-CD1 4.23Å
344P85.2Confident90.3Very high44 Ų4449.7 Ų49.729%0.28626%0.264SS..PPolyproline II helixtrans-60.1136.1174.5-15.826000110.5S346 Y347 L348P344-S346 PolarHBondContact O-N 2.76Å; P344-Y347 HydrophobicContact CB-CD2 4.04Å; P344-Y347 HydrophobicContact CG-CD2 4.02Å; P344-Y347 HydrophobicContact CG-CE2 4.48Å; P344-Y347 PolarHBondContact O-N 2.75Å; P344-L348 PolarHBondContact O-N 2.95Å
345S84.4Confident90.2Very high57 Ų5747.3 Ų47.340%0.39925%0.251SS..Hα-helixtrans-57.7-26.3-175.652.40000113.9D305 L343 Y347 L348D305-S345 WeakPolarHBondContact O-CB 3.46Å; L343-S345 PolarHBondContact O-N 3.05Å; S345-Y347 VanDerWaalsContact C-N 3.26Å; S345-Y347 PolarHBondContact O-N 3.4Å; S345-L348 PolarHBondContact O-N 2.94Å
346S83Confident90.2Very high85 Ų8546.4 Ų46.459%0.59425%0.25SS*.Hα-helixtrans-59.9-31.8172.658.40000113.8P344P344-S346 PolarHBondContact O-N 2.76Å
347Y86.2Confident90.2Very high121 Ų12152 Ų5248%0.47528%0.276SS..Hα-helixtrans-92.5-21.7179.6-70.9-80.5000112.9P344 S345 Q349 E350 C351P344-Y347 HydrophobicContact CB-CD2 4.04Å; P344-Y347 HydrophobicContact CG-CD2 4.02Å; P344-Y347 HydrophobicContact CG-CE2 4.48Å; P344-Y347 PolarHBondContact O-N 2.75Å; S345-Y347 VanDerWaalsContact C-N 3.26Å; S345-Y347 PolarHBondContact O-N 3.4Å; Y347-Q349 VanDerWaalsContact C-N 3.32Å; Y347-Q349 PolarHBondContact O-N 2.68Å; Y347-E350 WeakPolarHBondContact O-CB 3.25Å; Y347-E350 PolarHBondContact O-N 2.85Å; Y347-C351 PolarHBondContact O-N 2.71Å; Y347-C351 PolarHBondContact O-SG 2.9Å
348L87.7Confident90.3Very high14 Ų1450.6 Ų50.67%0.07327%0.272CS..Hα-helixtrans-59.2-43.2-176.1-178.163.1000112.2D305 L308 V318 L343 P344 S345 C351 S352 I355D305-L348 WeakPolarHBondContact O-CD2 3.44Å; L308-L348 HydrophobicContact CB-CD1 4.49Å; V318-L348 HydrophobicContact CB-CD1 3.69Å; V318-L348 HydrophobicContact CG1-CD1 4.08Å; V318-L348 HydrophobicContact CG2-CD1 3.42Å; V318-L348 VanDerWaalsContact CG2-CD1 3.42Å; L343-L348 HydrophobicContact CD2-CB 4.31Å; L343-L348 HydrophobicContact CD2-CD1 4.23Å; P344-L348 PolarHBondContact O-N 2.95Å; S345-L348 PolarHBondContact O-N 2.94Å; L348-C351 PolarHBondContact O-N 3.48Å; L348-S352 PolarHBondContact O-N 2.93Å; L348-S352 VanDerWaalsContact O-N 3.11Å; L348-I355 HydrophobicContact CD1-CD1 4.41Å
349Q84.4Confident90.4Very high165 Ų16550.6 Ų50.677%0.77127%0.272SS*.Hα-helixtrans-64.4-42.6178.5-67.3-177.3-7.500111.6Y347 C351 S352Y347-Q349 VanDerWaalsContact C-N 3.32Å; Y347-Q349 PolarHBondContact O-N 2.68Å; Q349-C351 VanDerWaalsContact C-N 3.34Å; Q349-C351 PolarHBondContact O-N 3.47Å; Q349-S352 WeakPolarHBondContact O-CB 3.36Å; Q349-S352 PolarHBondContact O-N 2.97Å; Q349-S352 PolarHBondContact O-OG 3.41Å
350E88Confident90.5Very high116 Ų11650.5 Ų50.554%0.54227%0.271SS..Hα-helixtrans-62-40.6178.7-166-166.6140.100111.9Y266 Y347Y266-E350 PolarHBondContact OH-OE1 3.22Å; Y347-E350 WeakPolarHBondContact O-CB 3.25Å; Y347-E350 PolarHBondContact O-N 2.85Å
351C91Very high90.5Very high1 Ų154.7 Ų54.71%0.00729%0.294CS..Hα-helixtrans-87.4-8.1-175.4-54.50000113.7Y266 I286 Y347 L348 Q349 L353 I354 I355Y266-C351 WeakPolarHBondContact CE1-SG 3.39Å; Y266-C351 HydrophobicContact CE2-CB 4.45Å; I286-C351 HydrophobicContact CD1-CB 4.08Å; I286-C351 VanDerWaalsContact CD1-SG 3.53Å; Y347-C351 PolarHBondContact O-N 2.71Å; Y347-C351 PolarHBondContact O-SG 2.9Å; L348-C351 PolarHBondContact O-N 3.48Å; Q349-C351 VanDerWaalsContact C-N 3.34Å; Q349-C351 PolarHBondContact O-N 3.47Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 PolarHBondContact O-N 3.05Å; C351-I354 PolarHBondContact O-N 2.84Å; C351-I354 VanDerWaalsContact O-N 3.13Å; C351-I355 HydrophobicContact CB-CD1 3.64Å; C351-I355 HydrophobicContact CB-CG1 4.19Å; C351-I355 VanDerWaalsContact O-CG1 3.31Å; C351-I355 WeakPolarHBondContact O-CG1 3.28Å; C351-I355 PolarHBondContact O-N 3.42Å
352S92.5Very high90.6Very high31 Ų3154.8 Ų54.822%0.21729%0.292CS..Hα-helixtrans-53.9-43.2-167.759.60000114.3L348 Q349 T356L348-S352 PolarHBondContact O-N 2.93Å; L348-S352 VanDerWaalsContact O-N 3.11Å; Q349-S352 WeakPolarHBondContact O-CB 3.36Å; Q349-S352 PolarHBondContact O-N 2.97Å; Q349-S352 PolarHBondContact O-OG 3.41Å; S352-T356 VanDerWaalsContact O-CB 3.28Å; S352-T356 WeakPolarHBondContact O-CB 3.41Å; S352-T356 PolarHBondContact O-N 3.38Å; S352-T356 PolarHBondContact O-OG1 3.31Å
353L93.2Very high90.6Very high137 Ų13757 Ų5772%0.71730%0.303SS*.Hα-helixtrans-64.8-46.1179.2-69.4175.7000111.9C351 I355 T356 E357C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 PolarHBondContact O-N 3.05Å; L353-I355 VanDerWaalsContact C-N 3.35Å; L353-T356 WeakPolarHBondContact O-CB 3.37Å; L353-T356 PolarHBondContact O-N 2.93Å; L353-E357 WeakPolarHBondContact O-CB 3.34Å; L353-E357 PolarHBondContact O-N 2.7Å
354I93.6Very high90.4Very high41 Ų4159.7 Ų59.721%0.2132%0.32CS..Hα-helixtrans-69.8-36.2-177.5-71.4162.1000110.7V261 Y266 C351 A358V261-I354 HydrophobicContact CG1-CG2 3.46Å; V261-I354 VanDerWaalsContact CG1-CG2 3.46Å; Y266-I354 HydrophobicContact CD2-CD1 4.1Å; Y266-I354 HydrophobicContact CD2-CG2 4.36Å; Y266-I354 HydrophobicContact CE2-CD1 3.57Å; C351-I354 PolarHBondContact O-N 2.84Å; C351-I354 VanDerWaalsContact O-N 3.13Å; I354-A358 WeakPolarHBondContact O-CB 3.24Å; I354-A358 PolarHBondContact O-N 3.3Å
355I94.2Very high90Very high1 Ų161.7 Ų61.71%0.00534%0.335CS..Hα-helixtrans-65.4-45.1173.1-63161.7000110.3V261 I286 A288 L308 I310 V318 L348 C351 L353 E357 A358 V359V261-I355 HydrophobicContact CG2-CG1 4.06Å; I286-I355 HydrophobicContact CG2-CD1 4.08Å; I286-I355 HydrophobicContact CG2-CG1 4.2Å; A288-I355 HydrophobicContact CB-CG2 3.99Å; L308-I355 HydrophobicContact CD2-CB 3.95Å; L308-I355 HydrophobicContact CD2-CD1 4.43Å; L308-I355 HydrophobicContact CD2-CG2 3.8Å; I310-I355 HydrophobicContact CD1-CG2 4.1Å; V318-I355 HydrophobicContact CG1-CD1 3.76Å; V318-I355 HydrophobicContact CG2-CD1 4.06Å; L348-I355 HydrophobicContact CD1-CD1 4.41Å; C351-I355 HydrophobicContact CB-CD1 3.64Å; C351-I355 HydrophobicContact CB-CG1 4.19Å; C351-I355 VanDerWaalsContact O-CG1 3.31Å; C351-I355 WeakPolarHBondContact O-CG1 3.28Å; C351-I355 PolarHBondContact O-N 3.42Å; L353-I355 VanDerWaalsContact C-N 3.35Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.19Å; I355-A358 PolarHBondContact O-N 2.64Å; I355-V359 HydrophobicContact CG2-CG2 4.47Å; I355-V359 WeakPolarHBondContact O-CG2 3.25Å; I355-V359 PolarHBondContact O-N 3.17Å
356T95.6Very high89Confident45 Ų4562.9 Ų62.928%0.27633%0.331SS..Hα-helixtrans-59.6-44.1177.9-64.40000111.5I310 S352 L353 S360I310-T356 HydrophobicContact CG2-CG2 3.95Å; S352-T356 VanDerWaalsContact O-CB 3.28Å; S352-T356 WeakPolarHBondContact O-CB 3.41Å; S352-T356 PolarHBondContact O-N 3.38Å; S352-T356 PolarHBondContact O-OG1 3.31Å; L353-T356 WeakPolarHBondContact O-CB 3.37Å; L353-T356 PolarHBondContact O-N 2.93Å; T356-S360 VanDerWaalsContact O-CB 3.27Å; T356-S360 WeakPolarHBondContact O-CB 3.36Å; T356-S360 PolarHBondContact O-N 3.35Å; T356-S360 PolarHBondContact O-OG 3.05Å
357E94.5Very high87Confident117 Ų11762.9 Ų62.955%0.54733%0.328SS..Hα-helixtrans-62.9-47.6175.4-176.4-179.3179.400111.5L353 I355 V359 S360 N361L353-E357 WeakPolarHBondContact O-CB 3.34Å; L353-E357 PolarHBondContact O-N 2.7Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.19Å; E357-V359 PolarHBondContact O-N 3.09Å; E357-S360 PolarHBondContact O-N 3.03Å; E357-N361 WeakPolarHBondContact O-CB 3.19Å; E357-N361 VanDerWaalsContact O-CG 3.26Å; E357-N361 PolarHBondContact O-N 3.27Å; E357-N361 PolarHBondContact O-ND2 3.45Å
358A94.3Very high84.6Confident19 Ų1960.7 Ų60.716%0.15733%0.328CS..Hα-helixtrans-59.8-45.2179.100000112.3V261 I354 I355 F362V261-A358 HydrophobicContact CG2-CB 4.06Å; I354-A358 WeakPolarHBondContact O-CB 3.24Å; I354-A358 PolarHBondContact O-N 3.3Å; I355-A358 PolarHBondContact O-N 2.64Å; A358-F362 VanDerWaalsContact O-CB 3.31Å; A358-F362 WeakPolarHBondContact O-CB 3.25Å; A358-F362 PolarHBondContact O-N 2.97Å
359V95.5Very high82Confident0 Ų063.8 Ų63.80%035%0.351CS..Hα-helixtrans-65.1-43175.8172.70000110.8V259 A288 I310 Y313 Y316 I355 E357 N361 F362 M363V259-V359 HydrophobicContact CB-CG2 4.38Å; V259-V359 HydrophobicContact CG1-CG2 4.38Å; A288-V359 HydrophobicContact CB-CG2 3.61Å; I310-V359 HydrophobicContact CD1-CB 3.92Å; I310-V359 HydrophobicContact CD1-CG1 4.15Å; I310-V359 HydrophobicContact CD1-CG2 3.69Å; I310-V359 HydrophobicContact CG2-CB 4.45Å; I310-V359 HydrophobicContact CG2-CG1 4.25Å; Y313-V359 HydrophobicContact CD2-CG1 3.96Å; Y313-V359 HydrophobicContact CG-CG1 4.42Å; Y316-V359 HydrophobicContact CD1-CG2 4.37Å; Y316-V359 HydrophobicContact CE1-CG1 4.11Å; Y316-V359 HydrophobicContact CE1-CG2 4.36Å; Y316-V359 HydrophobicContact CE2-CG1 4.05Å; I355-V359 HydrophobicContact CG2-CG2 4.47Å; I355-V359 WeakPolarHBondContact O-CG2 3.25Å; I355-V359 PolarHBondContact O-N 3.17Å; E357-V359 PolarHBondContact O-N 3.09Å; V359-N361 PolarHBondContact O-N 3.44Å; V359-F362 PolarHBondContact O-N 2.91Å; V359-M363 HydrophobicContact CG1-CG 4.3Å; V359-M363 WeakPolarHBondContact O-CB 3.4Å; V359-M363 WeakPolarHBondContact O-CG 3.5Å; V359-M363 PolarHBondContact O-N 2.68Å
360S94.2Very high79.4Confident31 Ų3162.5 Ų62.522%0.21736%0.355CS..Hα-helixtrans-61.5-46.4178.4-600000111.8T356 E357 F362 M363 T364T356-S360 VanDerWaalsContact O-CB 3.27Å; T356-S360 WeakPolarHBondContact O-CB 3.36Å; T356-S360 PolarHBondContact O-N 3.35Å; T356-S360 PolarHBondContact O-OG 3.05Å; E357-S360 PolarHBondContact O-N 3.03Å; S360-F362 VanDerWaalsContact C-N 3.34Å; S360-F362 PolarHBondContact O-N 2.59Å; S360-M363 PolarHBondContact O-N 2.93Å; S360-T364 WeakPolarHBondContact O-CG2 3.44Å; S360-T364 PolarHBondContact O-N 3.45Å; S360-T364 PolarHBondContact O-OG1 3.05Å; S360-T364 VanDerWaalsContact O-OG1 3.08Å
361N92.7Very high77Confident88 Ų8860.5 Ų60.547%0.47135%0.347SS..Hα-helixtrans-64.7-38.1177.5-70.5-17.6000112.2E357 V359 T364 S365E357-N361 WeakPolarHBondContact O-CB 3.19Å; E357-N361 VanDerWaalsContact O-CG 3.26Å; E357-N361 PolarHBondContact O-N 3.27Å; E357-N361 PolarHBondContact O-ND2 3.45Å; V359-N361 PolarHBondContact O-N 3.44Å; N361-T364 WeakPolarHBondContact CA-OG1 3.23Å; N361-T364 PolarHBondContact O-OG1 2.64Å; N361-T364 VanDerWaalsContact O-OG1 3.12Å; N361-S365 WeakPolarHBondContact O-CB 3.43Å; N361-S365 PolarHBondContact O-N 3.38Å; N361-S365 PolarHBondContact O-OG 2.85Å
362F92.5Very high74.2Confident26 Ų2663.5 Ų63.511%0.11437%0.372CS..Hα-helixtrans-64.7-40.9174.6180-99.1000111.9D106 V107 V259 A358 V359 S360 S365 R366D106-F362 HydrophobicContact CB-CD2 4.47Å; D106-F362 HydrophobicContact CB-CE2 3.76Å; D106-F362 HydrophobicContact CB-CZ 4.43Å; D106-F362 VanDerWaalsContact O-CZ 3.31Å; D106-F362 WeakPolarHBondContact O-CZ 3.24Å; V107-F362 HydrophobicContact CG2-CE2 4.25Å; V259-F362 HydrophobicContact CG1-CB 3.74Å; V259-F362 HydrophobicContact CG1-CD1 4.46Å; V259-F362 HydrophobicContact CG1-CD2 4.35Å; V259-F362 HydrophobicContact CG1-CG 3.94Å; V259-F362 HydrophobicContact CG2-CB 4.33Å; V259-F362 HydrophobicContact CG2-CD1 3.53Å; V259-F362 HydrophobicContact CG2-CD2 4.42Å; V259-F362 HydrophobicContact CG2-CE1 3.81Å; V259-F362 HydrophobicContact CG2-CG 3.84Å; V259-F362 HydrophobicContact CG2-CZ 4.36Å; A358-F362 VanDerWaalsContact O-CB 3.31Å; A358-F362 WeakPolarHBondContact O-CB 3.25Å; A358-F362 PolarHBondContact O-N 2.97Å; V359-F362 PolarHBondContact O-N 2.91Å; S360-F362 VanDerWaalsContact C-N 3.34Å; S360-F362 PolarHBondContact O-N 2.59Å; F362-S365 WeakPolarHBondContact CA-OG 3.35Å; F362-S365 PolarHBondContact O-OG 3.3Å; F362-R366 VanDerWaalsContact CE1-NE 3.35Å; F362-R366 PolarHBondContact O-N 2.98Å
363M90.3Very high71.3Confident48 Ų4867.9 Ų67.924%0.23640%0.403CS..Hα-helixtrans-71.6-38.8178.6-67.8-66.3172.500112.3Y313 Y316 V359 S360 R366 T367Y313-M363 HydrophobicContact CD1-CB 3.99Å; Y313-M363 HydrophobicContact CD1-CG 3.67Å; Y313-M363 HydrophobicContact CD1-SD 4.36Å; Y313-M363 HydrophobicContact CD2-CG 4.28Å; Y313-M363 HydrophobicContact CE1-CB 3.43Å; Y313-M363 VanDerWaalsContact CE1-CB 3.43Å; Y313-M363 HydrophobicContact CE1-CG 3.67Å; Y313-M363 HydrophobicContact CE2-CB 4.25Å; Y313-M363 HydrophobicContact CE2-CG 4.28Å; Y313-M363 HydrophobicContact CG-CG 3.98Å; Y316-M363 WeakPolarHBondContact OH-CE 3.38Å; V359-M363 HydrophobicContact CG1-CG 4.3Å; V359-M363 WeakPolarHBondContact O-CB 3.4Å; V359-M363 WeakPolarHBondContact O-CG 3.5Å; V359-M363 PolarHBondContact O-N 2.68Å; S360-M363 PolarHBondContact O-N 2.93Å; M363-R366 PolarHBondContact O-N 3.07Å; M363-T367 PolarHBondContact O-N 3.03Å; M363-T367 PolarHBondContact O-OG1 2.97Å; M363-T367 VanDerWaalsContact O-OG1 3.06Å
364T86.5Confident68.4Low66 Ų6667.5 Ų67.541%0.40541%0.406SS..Hα-helixtrans-72.7-26.6177.855.10000113.7S360 N361 T367S360-T364 WeakPolarHBondContact O-CG2 3.44Å; S360-T364 PolarHBondContact O-N 3.45Å; S360-T364 PolarHBondContact O-OG1 3.05Å; S360-T364 VanDerWaalsContact O-OG1 3.08Å; N361-T364 WeakPolarHBondContact CA-OG1 3.23Å; N361-T364 PolarHBondContact O-OG1 2.64Å; N361-T364 VanDerWaalsContact O-OG1 3.12Å; T364-T367 VanDerWaalsContact O-O 3.08Å; T364-T367 PolarHBondContact O-OG1 3.15Å
365S75.7Confident65.5Low86 Ų8669.3 Ų69.360%0.60142%0.416SS*.Hα-helixtrans-80.3-22.6173.6540000113.4N361 F362 T367N361-S365 WeakPolarHBondContact O-CB 3.43Å; N361-S365 PolarHBondContact O-N 3.38Å; N361-S365 PolarHBondContact O-OG 2.85Å; F362-S365 WeakPolarHBondContact CA-OG 3.35Å; F362-S365 PolarHBondContact O-OG 3.3Å; S365-T367 CarbonylContact C-O 3.42Å
366R63.3Low62.7Low82 Ų8278 Ų7831%0.30945%0.453SS..Hα-helixtrans-76.2-32170.5-85.7-171.8169.4-153.95.7113F362 M363F362-R366 VanDerWaalsContact CE1-NE 3.35Å; F362-R366 PolarHBondContact O-N 2.98Å; M363-R366 PolarHBondContact O-N 3.07Å
367T40.8Very low60Low86 Ų8682.7 Ų82.753%0.52849%0.485SS..SBendtrans-62.4131.9159.6-6.60000106.7M363 T364 S365 S369M363-T367 PolarHBondContact O-N 3.03Å; M363-T367 PolarHBondContact O-OG1 2.97Å; M363-T367 VanDerWaalsContact O-OG1 3.06Å; T364-T367 VanDerWaalsContact O-O 3.08Å; T364-T367 PolarHBondContact O-OG1 3.15Å; S365-T367 CarbonylContact C-O 3.42Å; T367-S369 PolarHBondContact O-N 2.83Å
368P35.9Very low57.6Low74 Ų7481.3 Ų81.348%0.48150%0.502SS..  trans-66.972.5174.623.3-28.3000110.1T370 L371P368-T370 PolarHBondContact O-N 3.25Å; P368-L371 HydrophobicContact CB-CD1 4.24Å; P368-L371 WeakPolarHBondContact O-CB 3.34Å; P368-L371 PolarHBondContact O-N 3.44Å; P368-L371 VanDerWaalsContact O-N 3.09Å
369S32.6Very low55.2Low79 Ų7982.4 Ų82.455%0.55252%0.515SS*.THydrogen-bonded Turntrans-88.843.7171.61790000109.3T367T367-S369 PolarHBondContact O-N 2.83Å
370T30.1Very low53.2Low139 Ų13989.6 Ų89.685%0.85355%0.551SS**THydrogen-bonded Turntrans-117.317.1144.7-41.30000109.8P368P368-T370 PolarHBondContact O-N 3.25Å
371L37.3Very low51.5Low74 Ų7489.3 Ų89.339%0.38755%0.548SS..SBendtrans-129.5-9.7175.1-69165.4000113.7P368 V385P368-L371 HydrophobicContact CB-CD1 4.24Å; P368-L371 WeakPolarHBondContact O-CB 3.34Å; P368-L371 PolarHBondContact O-N 3.44Å; P368-L371 VanDerWaalsContact O-N 3.09Å; L371-V385 HydrophobicContact CD1-CG1 3.38Å; L371-V385 HydrophobicContact CD1-CG2 4.34Å; L371-V385 HydrophobicContact CD2-CB 4.33Å; L371-V385 HydrophobicContact CD2-CG1 3.99Å; L371-V385 HydrophobicContact CD2-CG2 3.41Å; L371-V385 VanDerWaalsContact CD2-CG2 3.41Å; L371-V385 HydrophobicContact CG-CG1 4.25Å; L371-V385 HydrophobicContact CG-CG2 4.49Å
372A33.6Very low50.7Low64 Ų6490.2 Ų90.253%0.52955%0.553SS.*G310 helixtrans-87-4.4-179.400000115.1T374A372-T374 VanDerWaalsContact C-N 3.26Å; A372-T374 PolarHBondContact O-N 3.37Å
373S31.2Very low50Low123 Ų12395 Ų9586%0.8658%0.58SS**G310 helixtrans-84.65.5173.1-174.50000113.5
374T31.3Very low49.6Very low128 Ų12895.9 Ų95.979%0.78559%0.59SS**G310 helixtrans-13421.8177.1-29.10000112.5A372A372-T374 VanDerWaalsContact C-N 3.26Å; A372-T374 PolarHBondContact O-N 3.37Å
375L34.4Very low49.5Very low80 Ų8093.8 Ų93.842%0.41958%0.577SS.*  trans-114.895.6172.9-72.3175.5000109.5G379L375-G379 WeakPolarHBondContact CD2-O 3.34Å
376K34.5Very low49.9Very low183 Ų18390.4 Ų90.480%0.79655%0.554SS**  trans-49.3138.6155.4-75.6178.4174.6176.50107.6G378 G379K376-G378 PolarHBondContact O-N 3.07Å; K376-G379 PolarHBondContact O-N 2.85Å; K376-G379 VanDerWaalsContact O-N 3.11Å
377P38.2Very low51.1Low143 Ų14390.2 Ų90.293%0.92957%0.565SS**THydrogen-bonded Turntrans-57.5106.6175.725-31.9000108.2
378G43.7Very low53.5Low88 Ų8893.3 Ų93.391%0.90757%0.571SS**THydrogen-bonded Turntrans116.75.1-177.800000117.9K376K376-G378 PolarHBondContact O-N 3.07Å
379G44Very low56.1Low42 Ų4291 Ų9143%0.43356%0.555SS.*PPolyproline II helixtrans-97.5137.6175.300000113.8L375 K376L375-G379 WeakPolarHBondContact CD2-O 3.34Å; K376-G379 PolarHBondContact O-N 2.85Å; K376-G379 VanDerWaalsContact O-N 3.11Å
380M55Low59Low152 Ų15288 Ų8875%0.74953%0.532SS*.PPolyproline II helixtrans-57.8149.5165.1-88.8-172.7132.200110.6
381P58.7Low62Low24 Ų2486.1 Ų86.116%0.15651%0.514CS..PPolyproline II helixtrans-60.7147.5171.7-0.813.3000110.1C386 F413P381-C386 VanDerWaalsContact CB-SG 3.51Å; P381-C386 VanDerWaalsContact CG-SG 3.52Å; P381-C386 PolarHBondContact O-SG 2.6Å; P381-C386 VanDerWaalsContact O-SG 3.37Å; P381-F413 HydrophobicContact CG-CB 4.23Å; P381-F413 HydrophobicContact CG-CD1 4.16Å; P381-F413 HydrophobicContact CG-CD2 3.67Å; P381-F413 HydrophobicContact CG-CE1 4.46Å; P381-F413 HydrophobicContact CG-CE2 4.01Å; P381-F413 HydrophobicContact CG-CG 3.75Å; P381-F413 HydrophobicContact CG-CZ 4.39Å
382D74.6Confident64.6Low108 Ų10887.7 Ų87.758%0.57852%0.52SS*.PPolyproline II helixtrans-52.6139.3175.8-176.338.2000111.1S384 V385 C386D382-S384 PolarHBondContact O-N 3.2Å; D382-S384 PolarHBondContact OD2-OG 3.44Å; D382-V385 HydrophobicContact CB-CG2 4.34Å; D382-V385 WeakPolarHBondContact O-CB 3.33Å; D382-V385 PolarHBondContact O-N 2.84Å; D382-C386 PolarHBondContact O-N 3.13Å; D382-C386 VanDerWaalsContact O-N 3.07Å
383D78.9Confident67.3Low127 Ų12784.7 Ų84.768%0.67949%0.494SS*.Hα-helixtrans-56.4-31.4-172.1-78.5-17.6000112.3V385 S387D383-V385 VanDerWaalsContact C-N 3.34Å; D383-V385 PolarHBondContact O-N 3.06Å; D383-S387 WeakPolarHBondContact O-CB 3.25Å; D383-S387 PolarHBondContact O-N 2.9Å; D383-S387 PolarHBondContact O-OG 3.19Å
384S81.6Confident70.2Confident65 Ų6579.9 Ų79.946%0.45546%0.461SS..Hα-helixtrans-65.6-35.5177.974.30000113.1D382 K388D382-S384 PolarHBondContact O-N 3.2Å; D382-S384 PolarHBondContact OD2-OG 3.44Å; S384-K388 PolarHBondContact O-N 3.02Å
385V83.2Confident73Confident23 Ų2380.1 Ų80.114%0.13946%0.456CS..Hα-helixtrans-81.9-44.7-178.2175.30000109.8L371 D382 D383 S387 K388 L389L371-V385 HydrophobicContact CD1-CG1 3.38Å; L371-V385 HydrophobicContact CD1-CG2 4.34Å; L371-V385 HydrophobicContact CD2-CB 4.33Å; L371-V385 HydrophobicContact CD2-CG1 3.99Å; L371-V385 HydrophobicContact CD2-CG2 3.41Å; L371-V385 VanDerWaalsContact CD2-CG2 3.41Å; L371-V385 HydrophobicContact CG-CG1 4.25Å; L371-V385 HydrophobicContact CG-CG2 4.49Å; D382-V385 HydrophobicContact CB-CG2 4.34Å; D382-V385 WeakPolarHBondContact O-CB 3.33Å; D382-V385 PolarHBondContact O-N 2.84Å; D383-V385 VanDerWaalsContact C-N 3.34Å; D383-V385 PolarHBondContact O-N 3.06Å; V385-S387 PolarHBondContact O-N 3.33Å; V385-K388 PolarHBondContact O-N 3.43Å; V385-L389 HydrophobicContact CG1-CD1 4.24Å; V385-L389 PolarHBondContact O-N 3.18Å
386C85.4Confident75.6Confident15 Ų1579.4 Ų79.410%0.10146%0.462CS..Hα-helixtrans-51.6-48.1171.9-74.10000110.7P381 D382 K388 L389 V390 F413P381-C386 VanDerWaalsContact CB-SG 3.51Å; P381-C386 VanDerWaalsContact CG-SG 3.52Å; P381-C386 PolarHBondContact O-SG 2.6Å; P381-C386 VanDerWaalsContact O-SG 3.37Å; D382-C386 PolarHBondContact O-N 3.13Å; D382-C386 VanDerWaalsContact O-N 3.07Å; C386-K388 VanDerWaalsContact C-N 3.35Å; C386-K388 PolarHBondContact O-N 3.05Å; C386-L389 PolarHBondContact O-N 2.91Å; C386-V390 WeakPolarHBondContact O-CB 3.36Å; C386-V390 WeakPolarHBondContact O-CG2 3.28Å; C386-V390 PolarHBondContact O-N 3.11Å; C386-F413 HydrophobicContact CB-CE1 4.14Å; C386-F413 VanDerWaalsContact SG-CE1 3.59Å
387S88.7Confident78.3Confident78 Ų7871.5 Ų71.555%0.54543%0.428SS..Hα-helixtrans-60.1-41.6-179.2-620000112.9D383 V385 E391D383-S387 WeakPolarHBondContact O-CB 3.25Å; D383-S387 PolarHBondContact O-N 2.9Å; D383-S387 PolarHBondContact O-OG 3.19Å; V385-S387 PolarHBondContact O-N 3.33Å; S387-E391 WeakPolarHBondContact O-CB 3.39Å; S387-E391 PolarHBondContact O-N 2.91Å
388K90.1Very high80.9Confident150 Ų15067 Ų6765%0.65241%0.408SS*.Hα-helixtrans-66.9-44177.6-73.6179.7-179.3178.40112.5S384 V385 C386 V390 E391 E392S384-K388 PolarHBondContact O-N 3.02Å; V385-K388 PolarHBondContact O-N 3.43Å; C386-K388 VanDerWaalsContact C-N 3.35Å; C386-K388 PolarHBondContact O-N 3.05Å; K388-V390 VanDerWaalsContact C-N 3.34Å; K388-E391 PolarHBondContact O-N 2.88Å; K388-E392 WeakPolarHBondContact O-CB 3.47Å; K388-E392 PolarHBondContact O-N 3.31Å
389L91.7Very high83.1Confident27 Ų2763 Ų6314%0.14137%0.366CS..Hα-helixtrans-64.5-41.2178.1-69.8173.7000111.4V385 C386 E391 E392 L393 L408 F413 L415V385-L389 HydrophobicContact CG1-CD1 4.24Å; V385-L389 PolarHBondContact O-N 3.18Å; C386-L389 PolarHBondContact O-N 2.91Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.74Å; L389-E392 PolarHBondContact O-N 3.29Å; L389-L393 WeakPolarHBondContact O-CB 3.12Å; L389-L393 PolarHBondContact O-N 3.37Å; L389-L408 VanDerWaalsContact C-CD1 3.45Å; L389-L408 HydrophobicContact CB-CD1 3.84Å; L389-L408 HydrophobicContact CB-CD2 4.42Å; L389-L408 WeakPolarHBondContact O-CD1 3.42Å; L389-F413 HydrophobicContact CD1-CB 4.17Å; L389-F413 HydrophobicContact CD1-CD1 4.23Å; L389-L415 HydrophobicContact CD2-CB 4.48Å
390V92.9Very high85.5Confident14 Ų1461.8 Ų61.89%0.08535%0.349CS..Hα-helixtrans-61.3-43.9175.71710000110.8C386 K388 S394 K401 L405 L408C386-V390 WeakPolarHBondContact O-CB 3.36Å; C386-V390 WeakPolarHBondContact O-CG2 3.28Å; C386-V390 PolarHBondContact O-N 3.11Å; K388-V390 VanDerWaalsContact C-N 3.34Å; V390-S394 WeakPolarHBondContact O-CB 3.27Å; V390-S394 PolarHBondContact O-N 3.15Å; V390-K401 HydrophobicContact CG1-CB 3.88Å; V390-K401 HydrophobicContact CG1-CG 4.16Å; V390-K401 WeakPolarHBondContact CG1-O 3.35Å; V390-L405 HydrophobicContact CG1-CB 4.41Å; V390-L405 HydrophobicContact CG2-CB 3.84Å; V390-L405 HydrophobicContact CG2-CD1 3.68Å; V390-L405 HydrophobicContact CG2-CG 4.35Å; V390-L408 HydrophobicContact CB-CD1 4.31Å; V390-L408 HydrophobicContact CG2-CD1 3.75Å
391E92.1Very high87.3Confident100 Ų10060.6 Ų60.647%0.46734%0.34SS..Hα-helixtrans-64.2-45.8176.9-175.4163-137.700111.8S387 K388 L389 S394 I395S387-E391 WeakPolarHBondContact O-CB 3.39Å; S387-E391 PolarHBondContact O-N 2.91Å; K388-E391 PolarHBondContact O-N 2.88Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.74Å; E391-S394 PolarHBondContact O-N 3.33Å; E391-I395 HydrophobicContact CG-CD1 3.81Å; E391-I395 WeakPolarHBondContact O-CB 3.13Å; E391-I395 WeakPolarHBondContact O-CD1 3.23Å; E391-I395 WeakPolarHBondContact O-CG1 3.43Å; E391-I395 PolarHBondContact O-N 3.32Å
392E91.9Very high88.8Confident108 Ų10862.4 Ų62.451%0.50536%0.357SS..Hα-helixtrans-61.8-46.1178-172.3170.8-175.900112.1K388 L389 I395 A396 L415K388-E392 WeakPolarHBondContact O-CB 3.47Å; K388-E392 PolarHBondContact O-N 3.31Å; L389-E392 PolarHBondContact O-N 3.29Å; E392-I395 PolarHBondContact O-N 2.94Å; E392-A396 VanDerWaalsContact O-CB 3.27Å; E392-A396 WeakPolarHBondContact O-CB 3.38Å; E392-A396 PolarHBondContact O-N 3.49Å; E392-L415 HydrophobicContact CG-CD2 3.9Å; E392-L415 WeakPolarHBondContact OE1-CD2 3.39Å
393L91.3Very high89.6Confident0 Ų060.3 Ų60.30%034%0.342CS..Hα-helixtrans-67.1-40.6177.4-173.567.6000111.6L389 A396 T397 M399 S404 C407 L408 L415 A418 L419L389-L393 WeakPolarHBondContact O-CB 3.12Å; L389-L393 PolarHBondContact O-N 3.37Å; L393-A396 PolarHBondContact O-N 2.81Å; L393-T397 HydrophobicContact CD1-CG2 3.63Å; L393-T397 HydrophobicContact CG-CG2 4.12Å; L393-T397 WeakPolarHBondContact O-CB 3.31Å; L393-T397 WeakPolarHBondContact O-CG2 3.39Å; L393-T397 PolarHBondContact O-N 3.43Å; L393-T397 PolarHBondContact O-OG1 2.94Å; L393-M399 HydrophobicContact CD2-CE 4.35Å; L393-M399 HydrophobicContact CG-CE 4.46Å; L393-S404 WeakPolarHBondContact CD2-O 3.49Å; L393-C407 HydrophobicContact CD2-CB 3.96Å; L393-L408 HydrophobicContact CB-CD1 4.23Å; L393-L408 HydrophobicContact CB-CG 4.48Å; L393-L408 HydrophobicContact CD2-CD1 4.17Å; L393-L408 HydrophobicContact CD2-CD2 4.1Å; L393-L408 HydrophobicContact CD2-CG 3.65Å; L393-L415 HydrophobicContact CB-CD1 3.84Å; L393-L415 HydrophobicContact CD1-CD1 3.94Å; L393-L415 HydrophobicContact CG-CD1 4.44Å; L393-A418 HydrophobicContact CD1-CB 4.18Å; L393-A418 HydrophobicContact CD2-CB 3.92Å; L393-L419 HydrophobicContact CD1-CD2 3.63Å; L393-L419 HydrophobicContact CD1-CG 3.86Å
394S92.4Very high90.2Very high22 Ų2254.3 Ų54.315%0.15431%0.309CS..Hα-helixtrans-60.1-46.1176.81780000111.2V390 E391 G398 M399 S404V390-S394 WeakPolarHBondContact O-CB 3.27Å; V390-S394 PolarHBondContact O-N 3.15Å; E391-S394 PolarHBondContact O-N 3.33Å; S394-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 3.42Å; S394-M399 WeakPolarHBondContact CA-O 3.41Å; S394-M399 WeakPolarHBondContact CB-O 3.48Å; S394-M399 PolarHBondContact OG-O 2.77Å; S394-S404 WeakPolarHBondContact CA-OG 3.49Å; S394-S404 WeakPolarHBondContact CB-OG 3.46Å; S394-S404 PolarHBondContact N-OG 2.94Å
395I90.4Very high90.7Very high134 Ų13454.8 Ų54.869%0.68731%0.306SS*.Hα-helixtrans-63.6-44.1176-68.3166.2000111.1E391 E392 T397E391-I395 HydrophobicContact CG-CD1 3.81Å; E391-I395 WeakPolarHBondContact O-CB 3.13Å; E391-I395 WeakPolarHBondContact O-CD1 3.23Å; E391-I395 WeakPolarHBondContact O-CG1 3.43Å; E391-I395 PolarHBondContact O-N 3.32Å; E392-I395 PolarHBondContact O-N 2.94Å; I395-T397 PolarHBondContact O-N 3.02Å
396A88.9Confident91Very high65 Ų6558.3 Ų58.354%0.53732%0.322SS..Hα-helixtrans-69.4-31.7-176.200000113.6E392 L393 L419E392-A396 VanDerWaalsContact O-CB 3.27Å; E392-A396 WeakPolarHBondContact O-CB 3.38Å; E392-A396 PolarHBondContact O-N 3.49Å; L393-A396 PolarHBondContact O-N 2.81Å; A396-L419 HydrophobicContact CB-CD2 3.86Å
397T91Very high91.3Very high16 Ų1658.5 Ų58.510%0.09832%0.323CS..Hα-helixtrans-105.6-17.9-17361.10000113.9L393 I395 M399 L419 F422L393-T397 HydrophobicContact CD1-CG2 3.63Å; L393-T397 HydrophobicContact CG-CG2 4.12Å; L393-T397 WeakPolarHBondContact O-CB 3.31Å; L393-T397 WeakPolarHBondContact O-CG2 3.39Å; L393-T397 PolarHBondContact O-N 3.43Å; L393-T397 PolarHBondContact O-OG1 2.94Å; I395-T397 PolarHBondContact O-N 3.02Å; T397-M399 HydrophobicContact CG2-CE 4.06Å; T397-M399 PolarHBondContact O-N 2.81Å; T397-M399 WeakPolarHBondContact OG1-CB 3.41Å; T397-M399 WeakPolarHBondContact OG1-CE 3.28Å; T397-M399 PolarHBondContact OG1-N 2.91Å; T397-L419 HydrophobicContact CG2-CD2 3.85Å; T397-F422 HydrophobicContact CG2-CB 4.21Å; T397-F422 HydrophobicContact CG2-CD1 3.48Å; T397-F422 VanDerWaalsContact CG2-CD1 3.48Å; T397-F422 HydrophobicContact CG2-CD2 3.97Å; T397-F422 HydrophobicContact CG2-CE1 3.75Å; T397-F422 HydrophobicContact CG2-CE2 4.2Å; T397-F422 HydrophobicContact CG2-CG 3.59Å; T397-F422 HydrophobicContact CG2-CZ 4.11Å; T397-F422 WeakPolarHBondContact O-CZ 3.41Å
398G91.6Very high91.2Very high49 Ų4954.8 Ų54.851%0.50530%0.297SS..  trans73.12.1-17000000113.9S394S394-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 3.42Å
399M91.2Very high91.1Very high5 Ų550.9 Ų50.93%0.02529%0.286CS..  trans-69.7149.2173.4-66.6-171.4-65.800110.6L393 S394 T397 C407 F422 L431 A435 F436L393-M399 HydrophobicContact CD2-CE 4.35Å; L393-M399 HydrophobicContact CG-CE 4.46Å; S394-M399 WeakPolarHBondContact CA-O 3.41Å; S394-M399 WeakPolarHBondContact CB-O 3.48Å; S394-M399 PolarHBondContact OG-O 2.77Å; T397-M399 HydrophobicContact CG2-CE 4.06Å; T397-M399 PolarHBondContact O-N 2.81Å; T397-M399 WeakPolarHBondContact OG1-CB 3.41Å; T397-M399 WeakPolarHBondContact OG1-CE 3.28Å; T397-M399 PolarHBondContact OG1-N 2.91Å; M399-C407 HydrophobicContact CE-CB 4.23Å; M399-F422 HydrophobicContact CE-CB 4.48Å; M399-F422 HydrophobicContact CE-CD2 3.52Å; M399-F422 HydrophobicContact CE-CE2 4.08Å; M399-F422 HydrophobicContact CE-CG 4.23Å; M399-F422 HydrophobicContact CG-CD2 4.13Å; M399-F422 HydrophobicContact CG-CE2 3.72Å; M399-F422 HydrophobicContact SD-CD2 3.54Å; M399-F422 VanDerWaalsContact SD-CD2 3.54Å; M399-F422 HydrophobicContact SD-CE2 3.72Å; M399-L431 HydrophobicContact SD-CD1 4.47Å; M399-A435 CarbonylContact C-O 3.5Å; M399-A435 VanDerWaalsContact CA-O 3.25Å; M399-A435 WeakPolarHBondContact CA-O 3.48Å; M399-F436 HydrophobicContact CG-CD1 4.37Å; M399-F436 HydrophobicContact CG-CE1 3.78Å; M399-F436 HydrophobicContact CG-CZ 4.19Å
400N93.2Very high90.8Very high15 Ų1556.2 Ų56.28%0.0831%0.31CS..  trans-65.6162.2168.770.546.1000111.2A402 Y403 S404 E434 A435 S437N400-A402 PolarHBondContact O-N 3.36Å; N400-A402 WeakPolarHBondContact OD1-CB 3.32Å; N400-A402 PolarHBondContact OD1-N 2.97Å; N400-A402 VanDerWaalsContact OD1-N 3.11Å; N400-Y403 PolarHBondContact O-N 2.89Å; N400-Y403 WeakPolarHBondContact OD1-CD2 3.45Å; N400-Y403 PolarHBondContact OD1-N 3.3Å; N400-S404 PolarHBondContact O-N 2.65Å; N400-S404 PolarHBondContact O-OG 3.32Å; N400-S404 VanDerWaalsContact O-OG 3.12Å; N400-E434 PolarHBondContact ND2-O 3.1Å; N400-A435 PolarHBondContact N-O 2.98Å; N400-A435 PolarHBondContact ND2-O 2.75Å; N400-S437 PolarHBondContact ND2-O 2.91Å
401K92.8Very high90.5Very high128 Ų12856.5 Ų56.556%0.55731%0.312SS*.Hα-helixtrans-60-30.4-174.5-67.5-176.4175.9-176.20113.6V390 L405V390-K401 HydrophobicContact CG1-CB 3.88Å; V390-K401 HydrophobicContact CG1-CG 4.16Å; V390-K401 WeakPolarHBondContact CG1-O 3.35Å; K401-L405 VanDerWaalsContact O-CB 3.25Å; K401-L405 WeakPolarHBondContact O-CB 3.24Å; K401-L405 PolarHBondContact O-N 2.73Å
402A91.6Very high90.2Very high62 Ų6262.8 Ų62.851%0.51233%0.332SS..Hα-helixtrans-68.3-46.3179.700000111.6N400 L405 Q406N400-A402 PolarHBondContact O-N 3.36Å; N400-A402 WeakPolarHBondContact OD1-CB 3.32Å; N400-A402 PolarHBondContact OD1-N 2.97Å; N400-A402 VanDerWaalsContact OD1-N 3.11Å; A402-L405 PolarHBondContact O-N 3.42Å; A402-Q406 PolarHBondContact O-N 2.84Å
403Y90.5Very high89.8Confident64 Ų6459 Ų5925%0.25131%0.314SS..Hα-helixtrans-71-36.1176.1-83.1-94.2000112.4N400 L405 Q406 C407 P432 E434 A435N400-Y403 PolarHBondContact O-N 2.89Å; N400-Y403 WeakPolarHBondContact OD1-CD2 3.45Å; N400-Y403 PolarHBondContact OD1-N 3.3Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; Y403-Q406 PolarHBondContact O-N 2.96Å; Y403-C407 VanDerWaalsContact O-CB 3.31Å; Y403-C407 WeakPolarHBondContact O-CB 3.4Å; Y403-C407 PolarHBondContact O-N 3.3Å; Y403-P432 HydrophobicContact CE1-CG 3.49Å; Y403-P432 VanDerWaalsContact CE1-CG 3.49Å; Y403-P432 WeakPolarHBondContact OH-CG 3.25Å; Y403-E434 HydrophobicContact CE2-CB 4.49Å; Y403-A435 HydrophobicContact CD1-CB 3.67Å; Y403-A435 VanDerWaalsContact CD2-CA 3.46Å; Y403-A435 HydrophobicContact CD2-CB 3.84Å; Y403-A435 HydrophobicContact CE1-CB 3.95Å; Y403-A435 HydrophobicContact CE2-CB 4.08Å; Y403-A435 HydrophobicContact CG-CB 3.61Å
404S92.1Very high89.4Confident0 Ų062.1 Ų62.10%033%0.33CS..Hα-helixtrans-61.1-43.7172-58.90000111.6L393 S394 N400 C407 L408L393-S404 WeakPolarHBondContact CD2-O 3.49Å; S394-S404 WeakPolarHBondContact CA-OG 3.49Å; S394-S404 WeakPolarHBondContact CB-OG 3.46Å; S394-S404 PolarHBondContact N-OG 2.94Å; N400-S404 PolarHBondContact O-N 2.65Å; N400-S404 PolarHBondContact O-OG 3.32Å; N400-S404 VanDerWaalsContact O-OG 3.12Å; S404-C407 PolarHBondContact O-N 3.24Å; S404-L408 WeakPolarHBondContact O-CB 3.36Å; S404-L408 WeakPolarHBondContact O-CG 3.37Å; S404-L408 PolarHBondContact O-N 3.09Å
405L91.8Very high89.1Confident75 Ų7562.5 Ų62.539%0.39333%0.331SS..Hα-helixtrans-62.7-43.9174.6177.663.3000112V390 K401 A402 Y403 L408 T409 F413V390-L405 HydrophobicContact CG1-CB 4.41Å; V390-L405 HydrophobicContact CG2-CB 3.84Å; V390-L405 HydrophobicContact CG2-CD1 3.68Å; V390-L405 HydrophobicContact CG2-CG 4.35Å; K401-L405 VanDerWaalsContact O-CB 3.25Å; K401-L405 WeakPolarHBondContact O-CB 3.24Å; K401-L405 PolarHBondContact O-N 2.73Å; A402-L405 PolarHBondContact O-N 3.42Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; L405-L408 PolarHBondContact O-N 3.29Å; L405-T409 WeakPolarHBondContact O-CB 3.43Å; L405-T409 PolarHBondContact O-N 3.1Å; L405-T409 PolarHBondContact O-OG1 3.35Å; L405-F413 HydrophobicContact CD1-CE1 4.1Å; L405-F413 HydrophobicContact CD1-CZ 4.1Å
406Q90.4Very high88.7Confident98 Ų9859.4 Ų59.446%0.45832%0.315SS..Hα-helixtrans-60.4-48.9176.1-176.8-179.7-12.200111.3A402 Y403 L408 T409 E410A402-Q406 PolarHBondContact O-N 2.84Å; Y403-Q406 PolarHBondContact O-N 2.96Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 3.22Å; Q406-T409 WeakPolarHBondContact O-CB 3.42Å; Q406-T409 PolarHBondContact O-N 3.5Å; Q406-T409 VanDerWaalsContact O-N 3.09Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.33Å; Q406-E410 PolarHBondContact NE2-OE1 2.85Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.38Å
407C90Very high88.4Confident19 Ų1958.7 Ų58.713%0.12831%0.307CS..Hα-helixtrans-59.4-44.3179.3-175.50000111.5L393 M399 Y403 S404 E410 C411L393-C407 HydrophobicContact CD2-CB 3.96Å; M399-C407 HydrophobicContact CE-CB 4.23Å; Y403-C407 VanDerWaalsContact O-CB 3.31Å; Y403-C407 WeakPolarHBondContact O-CB 3.4Å; Y403-C407 PolarHBondContact O-N 3.3Å; S404-C407 PolarHBondContact O-N 3.24Å; C407-E410 PolarHBondContact O-N 2.84Å; C407-C411 WeakPolarHBondContact O-CB 3.41Å; C407-C411 PolarHBondContact O-N 2.67Å; C407-C411 PolarHBondContact O-SG 2.86Å; C407-C411 VanDerWaalsContact O-SG 3.39Å
408L88.3Confident88Confident0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-62.6-43.5173.7-73.9164.4000111.6L389 V390 L393 S404 L405 Q406 E410 C411 R412 F413 L415 A418L389-L408 VanDerWaalsContact C-CD1 3.45Å; L389-L408 HydrophobicContact CB-CD1 3.84Å; L389-L408 HydrophobicContact CB-CD2 4.42Å; L389-L408 WeakPolarHBondContact O-CD1 3.42Å; V390-L408 HydrophobicContact CB-CD1 4.31Å; V390-L408 HydrophobicContact CG2-CD1 3.75Å; L393-L408 HydrophobicContact CB-CD1 4.23Å; L393-L408 HydrophobicContact CB-CG 4.48Å; L393-L408 HydrophobicContact CD2-CD1 4.17Å; L393-L408 HydrophobicContact CD2-CD2 4.1Å; L393-L408 HydrophobicContact CD2-CG 3.65Å; S404-L408 WeakPolarHBondContact O-CB 3.36Å; S404-L408 WeakPolarHBondContact O-CG 3.37Å; S404-L408 PolarHBondContact O-N 3.09Å; L405-L408 PolarHBondContact O-N 3.29Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 3.22Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 2.94Å; L408-C411 CarbonylContact O-C 3.27Å; L408-C411 VanDerWaalsContact O-C 3.27Å; L408-C411 PolarHBondContact O-N 2.97Å; L408-C411 VanDerWaalsContact O-N 3.16Å; L408-R412 PolarHBondContact O-N 2.91Å; L408-F413 HydrophobicContact CB-CD1 3.88Å; L408-F413 HydrophobicContact CB-CE1 4.1Å; L408-F413 HydrophobicContact CB-CG 4.41Å; L408-F413 WeakPolarHBondContact O-CA 3.48Å; L408-F413 PolarHBondContact O-N 3.24Å; L408-L415 HydrophobicContact CD2-CD1 4.32Å; L408-A418 HydrophobicContact CD2-CB 3.94Å
409T86.6Confident87.9Confident68 Ų6857.7 Ų57.742%0.41729%0.289SS..Hα-helixtrans-60.2-45.3-179.8-57.80000111.1L405 Q406 C411 R412L405-T409 WeakPolarHBondContact O-CB 3.43Å; L405-T409 PolarHBondContact O-N 3.1Å; L405-T409 PolarHBondContact O-OG1 3.35Å; Q406-T409 WeakPolarHBondContact O-CB 3.42Å; Q406-T409 PolarHBondContact O-N 3.5Å; Q406-T409 VanDerWaalsContact O-N 3.09Å; T409-C411 VanDerWaalsContact C-N 3.33Å; T409-C411 PolarHBondContact O-N 3.23Å; T409-R412 PolarHBondContact O-N 2.9Å
410E85.5Confident87.4Confident138 Ų13862 Ų6265%0.64531%0.309SS*.Hα-helixtrans-66.2-34.8176.8-70.1178.2-162.200112.2Q406 C407 L408 R412Q406-E410 WeakPolarHBondContact CG-OE1 3.33Å; Q406-E410 PolarHBondContact NE2-OE1 2.85Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.38Å; C407-E410 PolarHBondContact O-N 2.84Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 2.94Å; E410-R412 VanDerWaalsContact C-N 3.28Å; E410-R412 PolarHBondContact O-N 3.19Å
411C86.1Confident86.8Confident21 Ų2163.4 Ų63.414%0.14232%0.32CS..THydrogen-bonded Turntrans-88.317.2175-63.20000113.8C407 L408 T409 F413 D414 A418C407-C411 WeakPolarHBondContact O-CB 3.41Å; C407-C411 PolarHBondContact O-N 2.67Å; C407-C411 PolarHBondContact O-SG 2.86Å; C407-C411 VanDerWaalsContact O-SG 3.39Å; L408-C411 CarbonylContact O-C 3.27Å; L408-C411 VanDerWaalsContact O-C 3.27Å; L408-C411 PolarHBondContact O-N 2.97Å; L408-C411 VanDerWaalsContact O-N 3.16Å; T409-C411 VanDerWaalsContact C-N 3.33Å; T409-C411 PolarHBondContact O-N 3.23Å; C411-F413 PolarHBondContact O-N 3.49Å; C411-D414 WeakPolarHBondContact O-CB 3.31Å; C411-D414 PolarHBondContact O-N 3.3Å; C411-A418 HydrophobicContact CB-CB 3.97Å; C411-A418 VanDerWaalsContact SG-CA 3.57Å
412R85.8Confident86.5Confident232 Ų23258.5 Ų58.588%0.87530%0.298SS*.THydrogen-bonded Turntrans53.536.5178.4-54.9-179.4-179.9169.70.3113.8L408 T409 E410 D414L408-R412 PolarHBondContact O-N 2.91Å; T409-R412 PolarHBondContact O-N 2.9Å; E410-R412 VanDerWaalsContact C-N 3.28Å; E410-R412 PolarHBondContact O-N 3.19Å; R412-D414 PolarHBondContact O-N 2.67Å
413F84.4Confident86.1Confident29 Ų2960.6 Ų60.613%0.12730%0.298CS..THydrogen-bonded Turntrans58.724.3-176.8-67.3-93.6000114.4P381 C386 L389 L405 L408 C411P381-F413 HydrophobicContact CG-CB 4.23Å; P381-F413 HydrophobicContact CG-CD1 4.16Å; P381-F413 HydrophobicContact CG-CD2 3.67Å; P381-F413 HydrophobicContact CG-CE1 4.46Å; P381-F413 HydrophobicContact CG-CE2 4.01Å; P381-F413 HydrophobicContact CG-CG 3.75Å; P381-F413 HydrophobicContact CG-CZ 4.39Å; C386-F413 HydrophobicContact CB-CE1 4.14Å; C386-F413 VanDerWaalsContact SG-CE1 3.59Å; L389-F413 HydrophobicContact CD1-CB 4.17Å; L389-F413 HydrophobicContact CD1-CD1 4.23Å; L405-F413 HydrophobicContact CD1-CE1 4.1Å; L405-F413 HydrophobicContact CD1-CZ 4.1Å; L408-F413 HydrophobicContact CB-CD1 3.88Å; L408-F413 HydrophobicContact CB-CE1 4.1Å; L408-F413 HydrophobicContact CB-CG 4.41Å; L408-F413 WeakPolarHBondContact O-CA 3.48Å; L408-F413 PolarHBondContact O-N 3.24Å; C411-F413 PolarHBondContact O-N 3.49Å
414D83Confident85.6Confident65 Ų6563.6 Ų63.635%0.34831%0.312SS..  trans-86.5110.1167.7177.111.3000110.2C411 R412 D416 S417 A418C411-D414 WeakPolarHBondContact O-CB 3.31Å; C411-D414 PolarHBondContact O-N 3.3Å; R412-D414 PolarHBondContact O-N 2.67Å; D414-D416 PolarHBondContact O-N 3.44Å; D414-D416 PolarHBondContact OD1-N 2.83Å; D414-S417 PolarHBondContact O-N 3.47Å; D414-S417 WeakPolarHBondContact OD2-CB 3.18Å; D414-S417 PolarHBondContact OD2-OG 3.15Å; D414-A418 WeakPolarHBondContact O-CB 3.3Å; D414-A418 PolarHBondContact O-N 3.01Å
415L86.2Confident85Confident30 Ų3066.1 Ų66.116%0.15733%0.327CS..Hα-helixtrans-64.4-38.8-175.5-175.666.7000112.6L389 E392 L393 L408 A418 L419L389-L415 HydrophobicContact CD2-CB 4.48Å; E392-L415 HydrophobicContact CG-CD2 3.9Å; E392-L415 WeakPolarHBondContact OE1-CD2 3.39Å; L393-L415 HydrophobicContact CB-CD1 3.84Å; L393-L415 HydrophobicContact CD1-CD1 3.94Å; L393-L415 HydrophobicContact CG-CD1 4.44Å; L408-L415 HydrophobicContact CD2-CD1 4.32Å; L415-A418 PolarHBondContact O-N 2.87Å; L415-L419 HydrophobicContact CG-CD1 4.21Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 WeakPolarHBondContact O-CG 3.48Å; L415-L419 PolarHBondContact O-N 3.09Å
416D82.5Confident84.6Confident69 Ų6967.3 Ų67.337%0.36933%0.33SS..Hα-helixtrans-68.4-43.4179.7-81.5-30.5000110.3Q109 D414 A418 L419 H420Q109-D416 PolarHBondContact NE2-OD1 3.22Å; D414-D416 PolarHBondContact O-N 3.44Å; D414-D416 PolarHBondContact OD1-N 2.83Å; D416-A418 VanDerWaalsContact C-N 3.33Å; D416-A418 PolarHBondContact O-N 3.26Å; D416-L419 PolarHBondContact O-N 2.78Å; D416-H420 WeakPolarHBondContact O-CB 3.3Å; D416-H420 PolarHBondContact O-N 3.46Å
417S80.8Confident84.1Confident50 Ų5070.2 Ų70.235%0.3534%0.344SS..Hα-helixtrans-62.5-39173.2-72.30000112.3D414 S421D414-S417 PolarHBondContact O-N 3.47Å; D414-S417 WeakPolarHBondContact OD2-CB 3.18Å; D414-S417 PolarHBondContact OD2-OG 3.15Å; S417-S421 VanDerWaalsContact O-CB 3.25Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 2.93Å; S417-S421 PolarHBondContact O-OG 3.14Å
418A84.3Confident83.7Confident0 Ų072.2 Ų72.20%036%0.362CS..Hα-helixtrans-65.9-45.4176.700000111.9L393 L408 C411 D414 L415 D416 H420 S421 F422L393-A418 HydrophobicContact CD1-CB 4.18Å; L393-A418 HydrophobicContact CD2-CB 3.92Å; L408-A418 HydrophobicContact CD2-CB 3.94Å; C411-A418 HydrophobicContact CB-CB 3.97Å; C411-A418 VanDerWaalsContact SG-CA 3.57Å; D414-A418 WeakPolarHBondContact O-CB 3.3Å; D414-A418 PolarHBondContact O-N 3.01Å; L415-A418 PolarHBondContact O-N 2.87Å; D416-A418 VanDerWaalsContact C-N 3.33Å; D416-A418 PolarHBondContact O-N 3.26Å; A418-H420 PolarHBondContact O-N 3.2Å; A418-S421 PolarHBondContact O-N 2.89Å; A418-F422 VanDerWaalsContact O-CB 3.29Å; A418-F422 WeakPolarHBondContact O-CB 3.21Å; A418-F422 PolarHBondContact O-N 2.96Å
419L87.7Confident83.5Confident43 Ų4375.2 Ų75.223%0.22539%0.393CS..Hα-helixtrans-62.4-43.7176.6-76.9170000112.2L393 A396 T397 L415 D416 F422 Q423L393-L419 HydrophobicContact CD1-CD2 3.63Å; L393-L419 HydrophobicContact CD1-CG 3.86Å; A396-L419 HydrophobicContact CB-CD2 3.86Å; T397-L419 HydrophobicContact CG2-CD2 3.85Å; L415-L419 HydrophobicContact CG-CD1 4.21Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 WeakPolarHBondContact O-CG 3.48Å; L415-L419 PolarHBondContact O-N 3.09Å; D416-L419 PolarHBondContact O-N 2.78Å; L419-F422 PolarHBondContact O-N 3.05Å; L419-Q423 WeakPolarHBondContact O-CG 3.19Å; L419-Q423 PolarHBondContact O-N 2.99Å
420H81.7Confident83.3Confident96 Ų9678.1 Ų78.144%0.44441%0.405SS..Hα-helixtrans-67.6-38.8177.5177.2-102.7000112.1D416 A418 Q423 K424D416-H420 WeakPolarHBondContact O-CB 3.3Å; D416-H420 PolarHBondContact O-N 3.46Å; A418-H420 PolarHBondContact O-N 3.2Å; H420-Q423 PolarHBondContact O-N 3.04Å; H420-K424 WeakPolarHBondContact CE1-CE 3.47Å; H420-K424 PolarHBondContact CE1-NZ 3.5Å; H420-K424 VanDerWaalsContact CE1-NZ 3.33Å; H420-K424 PolarHBondContact O-N 3.1Å
421S80.2Confident83Confident45 Ų4573.4 Ų73.432%0.31538%0.384SS..Hα-helixtrans-66.6-44.2175-59.50000111.2S417 A418 Q423 K424 V425S417-S421 VanDerWaalsContact O-CB 3.25Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 2.93Å; S417-S421 PolarHBondContact O-OG 3.14Å; A418-S421 PolarHBondContact O-N 2.89Å; S421-Q423 PolarHBondContact O-N 3.38Å; S421-K424 PolarHBondContact O-N 3.48Å; S421-V425 VanDerWaalsContact O-CG2 3.29Å; S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 2.95Å
422F87.9Confident83.1Confident24 Ų2474.6 Ų74.611%0.10539%0.392CS..Hα-helixtrans-54.4-49.7173.4166.6-99.2000111.6T397 M399 A418 L419 K424 V425 H426 L431 F436T397-F422 HydrophobicContact CG2-CB 4.21Å; T397-F422 HydrophobicContact CG2-CD1 3.48Å; T397-F422 VanDerWaalsContact CG2-CD1 3.48Å; T397-F422 HydrophobicContact CG2-CD2 3.97Å; T397-F422 HydrophobicContact CG2-CE1 3.75Å; T397-F422 HydrophobicContact CG2-CE2 4.2Å; T397-F422 HydrophobicContact CG2-CG 3.59Å; T397-F422 HydrophobicContact CG2-CZ 4.11Å; T397-F422 WeakPolarHBondContact O-CZ 3.41Å; M399-F422 HydrophobicContact CE-CB 4.48Å; M399-F422 HydrophobicContact CE-CD2 3.52Å; M399-F422 HydrophobicContact CE-CE2 4.08Å; M399-F422 HydrophobicContact CE-CG 4.23Å; M399-F422 HydrophobicContact CG-CD2 4.13Å; M399-F422 HydrophobicContact CG-CE2 3.72Å; M399-F422 HydrophobicContact SD-CD2 3.54Å; M399-F422 VanDerWaalsContact SD-CD2 3.54Å; M399-F422 HydrophobicContact SD-CE2 3.72Å; A418-F422 VanDerWaalsContact O-CB 3.29Å; A418-F422 WeakPolarHBondContact O-CB 3.21Å; A418-F422 PolarHBondContact O-N 2.96Å; L419-F422 PolarHBondContact O-N 3.05Å; F422-K424 VanDerWaalsContact C-N 3.34Å; F422-K424 PolarHBondContact O-N 2.85Å; F422-V425 PolarHBondContact O-N 3.31Å; F422-H426 HydrophobicContact CE1-CB 4.47Å; F422-H426 HydrophobicContact CE2-CB 4.32Å; F422-H426 HydrophobicContact CZ-CB 4.21Å; F422-H426 WeakPolarHBondContact O-CB 3.48Å; F422-H426 PolarHBondContact O-N 3.46Å; F422-L431 HydrophobicContact CD2-CD1 3.67Å; F422-L431 HydrophobicContact CE2-CD1 3.44Å; F422-L431 VanDerWaalsContact CE2-CD1 3.44Å; F422-L431 HydrophobicContact CZ-CD1 4.43Å; F422-F436 HydrophobicContact CE2-CE1 4.15Å; F422-F436 HydrophobicContact CE2-CZ 4.02Å; F422-F436 HydrophobicContact CZ-CE1 4.34Å; F422-F436 HydrophobicContact CZ-CZ 4.41Å
423Q82.5Confident83Confident107 Ų10767.4 Ų67.450%0.538%0.382SS..Hα-helixtrans-56.9-46.9179.5-76.4172.7-3.300111.7L419 H420 S421 V425 H426 E427L419-Q423 WeakPolarHBondContact O-CG 3.19Å; L419-Q423 PolarHBondContact O-N 2.99Å; H420-Q423 PolarHBondContact O-N 3.04Å; S421-Q423 PolarHBondContact O-N 3.38Å; Q423-V425 PolarHBondContact O-N 3.34Å; Q423-H426 PolarHBondContact O-N 2.85Å; Q423-E427 WeakPolarHBondContact O-CB 3.49Å; Q423-E427 VanDerWaalsContact O-CG 3.28Å; Q423-E427 WeakPolarHBondContact O-CG 3.48Å; Q423-E427 PolarHBondContact O-N 3.07Å
424K80.3Confident83.3Confident126 Ų12671.6 Ų71.655%0.54840%0.402SS..Hα-helixtrans-61.3-44.7178.1-74.9-176.2172.4-176.30113.1H420 S421 F422 A428H420-K424 WeakPolarHBondContact CE1-CE 3.47Å; H420-K424 PolarHBondContact CE1-NZ 3.5Å; H420-K424 VanDerWaalsContact CE1-NZ 3.33Å; H420-K424 PolarHBondContact O-N 3.1Å; S421-K424 PolarHBondContact O-N 3.48Å; F422-K424 VanDerWaalsContact C-N 3.34Å; F422-K424 PolarHBondContact O-N 2.85Å; K424-A428 WeakPolarHBondContact O-CB 3.37Å; K424-A428 PolarHBondContact O-N 3.04Å; K424-A428 VanDerWaalsContact O-N 3.13Å
425V78.5Confident83.5Confident54 Ų5468.5 Ų68.533%0.32739%0.385SS..Hα-helixtrans-73.4-36.9-177.3-177.50000110.9S421 F422 Q423 A428 G429 L430 L431S421-V425 VanDerWaalsContact O-CG2 3.29Å; S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 2.95Å; F422-V425 PolarHBondContact O-N 3.31Å; Q423-V425 PolarHBondContact O-N 3.34Å; V425-A428 PolarHBondContact O-N 3.33Å; V425-G429 PolarHBondContact O-N 2.93Å; V425-L430 HydrophobicContact CG1-CB 3.64Å; V425-L430 PolarHBondContact O-N 3.12Å; V425-L431 HydrophobicContact CB-CD2 4.35Å; V425-L431 HydrophobicContact CB-CG 4.38Å; V425-L431 HydrophobicContact CG1-CD2 3.64Å; V425-L431 HydrophobicContact CG1-CG 3.79Å
426H83.4Confident83.7Confident99 Ų9970.9 Ų70.946%0.45840%0.395SS..Hα-helixtrans-65.7-47175.2-177.6-93.8000111.8F422 Q423 A428 G429 L431 F436F422-H426 HydrophobicContact CE1-CB 4.47Å; F422-H426 HydrophobicContact CE2-CB 4.32Å; F422-H426 HydrophobicContact CZ-CB 4.21Å; F422-H426 WeakPolarHBondContact O-CB 3.48Å; F422-H426 PolarHBondContact O-N 3.46Å; Q423-H426 PolarHBondContact O-N 2.85Å; H426-A428 VanDerWaalsContact C-N 3.26Å; H426-A428 PolarHBondContact O-N 3.3Å; H426-G429 PolarHBondContact O-N 3.49Å; H426-L431 HydrophobicContact CB-CD1 3.74Å; H426-F436 AromaticContact CD2-CZ 3.87Å
427E79.6Confident83.7Confident159 Ų15970 Ų7074%0.74339%0.394SS*.Hα-helixtrans-62.6-32.9176-74.9177179.500112.6Q423 G429Q423-E427 WeakPolarHBondContact O-CB 3.49Å; Q423-E427 VanDerWaalsContact O-CG 3.28Å; Q423-E427 WeakPolarHBondContact O-CG 3.48Å; Q423-E427 PolarHBondContact O-N 3.07Å; E427-G429 PolarHBondContact O-N 2.89Å
428A81.5Confident82.9Confident62 Ų6276.4 Ų76.451%0.51242%0.424SS..THydrogen-bonded Turntrans-75.8-5.3174.300000113.8K424 V425 H426 L430K424-A428 WeakPolarHBondContact O-CB 3.37Å; K424-A428 PolarHBondContact O-N 3.04Å; K424-A428 VanDerWaalsContact O-N 3.13Å; V425-A428 PolarHBondContact O-N 3.33Å; H426-A428 VanDerWaalsContact C-N 3.26Å; H426-A428 PolarHBondContact O-N 3.3Å; A428-L430 HydrophobicContact CB-CD1 3.78Å; A428-L430 HydrophobicContact CB-CG 3.81Å; A428-L430 PolarHBondContact O-N 3.46Å
429G84Confident81.4Confident63 Ų6385.5 Ų85.565%0.64947%0.47SS*.THydrogen-bonded Turntrans66.224.3-177.300000113.7V425 H426 E427V425-G429 PolarHBondContact O-N 2.93Å; H426-G429 PolarHBondContact O-N 3.49Å; E427-G429 PolarHBondContact O-N 2.89Å
430L83Confident81.1Confident128 Ų12887.7 Ų87.767%0.6748%0.482SS*.  trans-93-3.5-174.8-67.1175.4000113.4V425 A428V425-L430 HydrophobicContact CG1-CB 3.64Å; V425-L430 PolarHBondContact O-N 3.12Å; A428-L430 HydrophobicContact CB-CD1 3.78Å; A428-L430 HydrophobicContact CB-CG 3.81Å; A428-L430 PolarHBondContact O-N 3.46Å
431L80.5Confident81.1Confident39 Ų3987.2 Ų87.220%0.20448%0.484CS..SBendtrans-82.2128.9176-68.5175.5000110.6M399 F422 V425 H426 F436M399-L431 HydrophobicContact SD-CD1 4.47Å; F422-L431 HydrophobicContact CD2-CD1 3.67Å; F422-L431 HydrophobicContact CE2-CD1 3.44Å; F422-L431 VanDerWaalsContact CE2-CD1 3.44Å; F422-L431 HydrophobicContact CZ-CD1 4.43Å; V425-L431 HydrophobicContact CB-CD2 4.35Å; V425-L431 HydrophobicContact CB-CG 4.38Å; V425-L431 HydrophobicContact CG1-CD2 3.64Å; V425-L431 HydrophobicContact CG1-CG 3.79Å; H426-L431 HydrophobicContact CB-CD1 3.74Å; L431-F436 HydrophobicContact CB-CE2 3.94Å; L431-F436 HydrophobicContact CB-CZ 4.37Å; L431-F436 HydrophobicContact CD1-CE2 4.15Å; L431-F436 HydrophobicContact CD1-CZ 3.71Å
432P86.9Confident81.2Confident47 Ų4789.6 Ų89.631%0.30549%0.494SS..  trans-68.3152.9176.629.6-34.3000111Y403 E434 A435Y403-P432 HydrophobicContact CE1-CG 3.49Å; Y403-P432 VanDerWaalsContact CE1-CG 3.49Å; Y403-P432 WeakPolarHBondContact OH-CG 3.25Å; P432-E434 WeakPolarHBondContact CB-OE2 3.49Å; P432-E434 PolarHBondContact O-N 2.91Å; P432-A435 HydrophobicContact CG-CB 4.37Å; P432-A435 VanDerWaalsContact O-CB 3.25Å; P432-A435 WeakPolarHBondContact O-CB 3.42Å; P432-A435 PolarHBondContact O-N 3.1Å
433A85Confident80.8Confident81 Ų8193.4 Ų93.467%0.66952%0.517SS*.G310 helixtrans-62.3-31.3-178.500000112.1A435 F436 S437A433-A435 PolarHBondContact O-N 3.38Å; A433-F436 PolarHBondContact O-N 2.97Å; A433-F436 VanDerWaalsContact O-N 3.07Å; A433-S437 PolarHBondContact O-N 3.25Å
434E89.9Confident80.6Confident116 Ų11692.6 Ų92.654%0.54252%0.518SS..G310 helixtrans-59.4-23.1175.2-63.280.6179.600112.6N400 Y403 P432 F436 S437N400-E434 PolarHBondContact ND2-O 3.1Å; Y403-E434 HydrophobicContact CE2-CB 4.49Å; P432-E434 WeakPolarHBondContact CB-OE2 3.49Å; P432-E434 PolarHBondContact O-N 2.91Å; E434-F436 PolarHBondContact O-N 3.27Å; E434-S437 PolarHBondContact O-N 3.35Å; E434-S437 PolarHBondContact O-OG 3.17Å
435A86.9Confident80.7Confident0 Ų090.3 Ų90.30%052%0.516CS..G310 helixtrans-64.2-22.9175.600000112.9M399 N400 Y403 P432 A433M399-A435 CarbonylContact C-O 3.5Å; M399-A435 VanDerWaalsContact CA-O 3.25Å; M399-A435 WeakPolarHBondContact CA-O 3.48Å; N400-A435 PolarHBondContact N-O 2.98Å; N400-A435 PolarHBondContact ND2-O 2.75Å; Y403-A435 HydrophobicContact CD1-CB 3.67Å; Y403-A435 VanDerWaalsContact CD2-CA 3.46Å; Y403-A435 HydrophobicContact CD2-CB 3.84Å; Y403-A435 HydrophobicContact CE1-CB 3.95Å; Y403-A435 HydrophobicContact CE2-CB 4.08Å; Y403-A435 HydrophobicContact CG-CB 3.61Å; P432-A435 HydrophobicContact CG-CB 4.37Å; P432-A435 VanDerWaalsContact O-CB 3.25Å; P432-A435 WeakPolarHBondContact O-CB 3.42Å; P432-A435 PolarHBondContact O-N 3.1Å; A433-A435 PolarHBondContact O-N 3.38Å
436F90.7Very high80.8Confident81 Ų8192.9 Ų92.936%0.35553%0.529SS..G310 helixtrans-114.31.8-176-55.8-78.7000113.2M399 F422 H426 L431 A433 E434M399-F436 HydrophobicContact CG-CD1 4.37Å; M399-F436 HydrophobicContact CG-CE1 3.78Å; M399-F436 HydrophobicContact CG-CZ 4.19Å; F422-F436 HydrophobicContact CE2-CE1 4.15Å; F422-F436 HydrophobicContact CE2-CZ 4.02Å; F422-F436 HydrophobicContact CZ-CE1 4.34Å; F422-F436 HydrophobicContact CZ-CZ 4.41Å; H426-F436 AromaticContact CD2-CZ 3.87Å; L431-F436 HydrophobicContact CB-CE2 3.94Å; L431-F436 HydrophobicContact CB-CZ 4.37Å; L431-F436 HydrophobicContact CD1-CE2 4.15Å; L431-F436 HydrophobicContact CD1-CZ 3.71Å; A433-F436 PolarHBondContact O-N 2.97Å; A433-F436 VanDerWaalsContact O-N 3.07Å; E434-F436 PolarHBondContact O-N 3.27Å
437S82Confident80.6Confident51 Ų5192.5 Ų92.536%0.35754%0.535SS..SBendtrans-75.6136.2171.156.40000110.5N400 A433 E434 I439N400-S437 PolarHBondContact ND2-O 2.91Å; A433-S437 PolarHBondContact O-N 3.25Å; E434-S437 PolarHBondContact O-N 3.35Å; E434-S437 PolarHBondContact O-OG 3.17Å; S437-I439 PolarHBondContact O-N 3.12Å
438L65.2Low80.7Confident184 Ų18486.9 Ų86.996%0.96352%0.517SS*.  trans-63105.6171.1-69.4163000108.8
439I53Low80.6Confident191 Ų19189.2 Ų89.298%0.97952%0.518SS*.  trans-102.10164.2-58.8177.7000107.9S437S437-I439 PolarHBondContact O-N 3.12Å

Retrieved 439 of 439 residues in 642.5 ms (Link to these results)