A0A096NGR2_PAPAN Loading...

26S proteasome regulatory subunit 7

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair. PSMC2 belongs to the heterohexameric ring of AAA (ATPases associated with diverse cellular activities) proteins that unfolds ubiquitinated target proteins that are concurrently translocated into a proteolytic chamber and degraded into peptides.

AlphaFold DB (M3VV51), UniProt , Accession A0A096NGR2, Species PAPAN (Papio anubis, Olive baboon), Gene PSMC2, Length 433 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low46.7Very low239 Ų239169.1 Ų169.1100%1.17787%0.869SS**  0149.40-62.9-163-176.900106.4
2P43.3Very low46.8Very low125 Ų125166.8 Ų166.881%0.81287%0.869SS**  cis-117.8-154.4-36.2223.4000108.5
3D44Very low46.2Very low144 Ų144169.7 Ų169.777%0.7787%0.87SS**  trans92.398.7157.6-133.63.6000118.6
4Y51.1Low45.5Very low237 Ų237170.9 Ų170.993%0.92987%0.871SS**  trans-124.446.1179.1-90.6-81.3000111.9
5L51.9Low45.3Very low161 Ų161170.3 Ų170.384%0.84387%0.87SS**  trans-133.183.4164.9-97.2145.6000109.5
6G43.3Very low45Very low67 Ų67170.6 Ų170.669%0.69187%0.867SS**  trans-87107.3170.900000110.8D8G6-D8 PolarHBondContact O-N 3.38Å
7A47.3Very low45.2Very low99 Ų99172 Ų17282%0.81887%0.866SS**SBendtrans34.121.4148.800000121.9Q9A7-Q9 PolarHBondContact O-N 2.71Å
8D44.6Very low45.4Very low166 Ų166170.4 Ų170.489%0.88886%0.86SS**THydrogen-bonded Turntrans-7020.8171.5-115.5-3.1000113.3G6G6-D8 PolarHBondContact O-N 3.38Å
9Q50.5Low45.9Very low184 Ų184169.8 Ų169.886%0.8686%0.86SS**THydrogen-bonded Turntrans-133.530-175.5-72.2-150.9-7.300114.8A7A7-Q9 PolarHBondContact O-N 2.71Å
10R51.4Low46.6Very low236 Ų236170.9 Ų170.989%0.89186%0.858SS**  trans-145.196.5161.1-71.8-171.2-178.4166.10.5111.5
11K43.3Very low47.1Very low202 Ų202168.4 Ų168.488%0.87885%0.854SS**  trans-166.8105.5146.7-106.5166.6-172.9-176.50110
12T47.8Very low48.1Very low142 Ų142165.2 Ų165.287%0.87184%0.84SS**  trans-46.3127.5155360000109.7
13K38.2Very low49.4Very low204 Ų204169.8 Ų169.889%0.88784%0.841SS**  trans-115.9121.7164.6-100.3-175.5171.2-175.70108.1
14E36.9Very low50.6Low187 Ų187166.8 Ų166.887%0.87484%0.837SS**  trans-58.9144.8-176.3-68.6160.5144.200111.9E16E14-E16 PolarHBondContact O-N 3.18Å
15D42.6Very low51.7Low161 Ų161160.5 Ų160.586%0.86182%0.818SS**  trans-65.2108.5171.1-72.9-56.3000110.6
16E40.8Very low52.9Low175 Ų175157.7 Ų157.782%0.81880%0.804SS**  trans-109.799.8154.2-79.7-174.2156.700108.1E14 D18E14-E16 PolarHBondContact O-N 3.18Å; E16-D18 PolarHBondContact O-N 2.97Å
17K48.3Very low54.4Low195 Ų195162.8 Ų162.885%0.84881%0.81SS**  trans-75.399.5164.2-79.4-178.7178.1176.30108D19K17-D19 PolarHBondContact O-N 2.88Å
18D48.4Very low55.6Low143 Ų143160.3 Ų160.377%0.76579%0.794SS**  trans-71.6108163.9-83.3-31.9000109.9E16 K20E16-D18 PolarHBondContact O-N 2.97Å; D18-K20 PolarHBondContact O-N 3.34Å; D18-K20 VanDerWaalsContact O-N 3.1Å
19D55.9Low56.9Low160 Ų160155.9 Ų155.986%0.85677%0.77SS**  trans-62.3103.6166.5-82.8-35000109.7K17K17-D19 PolarHBondContact O-N 2.88Å
20K59.5Low57.9Low190 Ų190150.3 Ų150.383%0.82675%0.746SS**  trans-68.2132171.6-69.4-179.4-178.5176.70109.6D18 I22D18-K20 PolarHBondContact O-N 3.34Å; D18-K20 VanDerWaalsContact O-N 3.1Å; K20-I22 PolarHBondContact O-N 3.27Å
21P57.6Low58.7Low119 Ų119141.6 Ų141.677%0.77372%0.724SS**  trans-66.3130.1-179.926.5-32.8000110.6R23P21-R23 PolarHBondContact O-N 3.3Å; P21-R23 VanDerWaalsContact O-N 3.12Å
22I63.7Low59.9Low172 Ų172136.9 Ų136.988%0.88271%0.708SS**  trans-66.5110174.8-58.5167.1000107.8K20 A24K20-I22 PolarHBondContact O-N 3.27Å; I22-A24 PolarHBondContact O-N 3.17Å
23R70.4Confident60.9Low221 Ų221135.1 Ų135.183%0.83469%0.693SS**PPolyproline II helixtrans-77.2118.4175.7-166174.4-179.8176.3-1.6108.8P21P21-R23 PolarHBondContact O-N 3.3Å; P21-R23 VanDerWaalsContact O-N 3.12Å
24A69.9Low62.3Low82 Ų82132.3 Ų132.368%0.67868%0.68SS**PPolyproline II helixtrans-63.3139.2173.200000109.7I22I22-A24 PolarHBondContact O-N 3.17Å
25L73.3Confident63.7Low104 Ų104127.4 Ų127.455%0.54566%0.663SS.*PPolyproline II helixtrans-70.7135.1179.9-71.6155.6000110.1D29 I30 L33L25-D29 HydrophobicContact CB-CB 4.24Å; L25-D29 HydrophobicContact CD2-CB 3.73Å; L25-I30 HydrophobicContact CB-CG1 4.03Å; L25-L33 HydrophobicContact CD1-CD1 3.99Å; L25-L33 HydrophobicContact CD2-CD1 4.19Å
26D77.8Confident64.7Low102 Ų102128.7 Ų128.755%0.54566%0.658SS.*PPolyproline II helixtrans-75.1158.2175.2-70.1-31.8000110.4G28 D29 I30D26-G28 PolarHBondContact O-N 3.35Å; D26-G28 VanDerWaalsContact O-N 3.07Å; D26-D29 PolarHBondContact N-OD2 3.03Å; D26-D29 WeakPolarHBondContact O-CB 3.42Å; D26-D29 PolarHBondContact O-N 3.48Å; D26-I30 WeakPolarHBondContact O-CG1 3.38Å; D26-I30 PolarHBondContact O-N 3.36Å
27E73.3Confident66Low175 Ų175124.3 Ų124.382%0.81866%0.659SS**Hα-helixtrans-55.3-31-179.1-71.9-174.2161.700113.1A31E27-A31 PolarHBondContact O-N 2.96Å
28G72.9Confident67.1Low46 Ų46119.9 Ų119.947%0.47464%0.641SS.*Hα-helixtrans-68.1-39.117400000113.5D26 I30 A31 L32D26-G28 PolarHBondContact O-N 3.35Å; D26-G28 VanDerWaalsContact O-N 3.07Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-A31 PolarHBondContact O-N 3.44Å; G28-L32 PolarHBondContact O-N 3.34Å
29D71.6Confident68.1Low73 Ų73116.6 Ų116.639%0.3963%0.63SS.*Hα-helixtrans-69-37176.9-62.5-33.9000110.7L25 D26 L32 L33L25-D29 HydrophobicContact CB-CB 4.24Å; L25-D29 HydrophobicContact CD2-CB 3.73Å; D26-D29 PolarHBondContact N-OD2 3.03Å; D26-D29 WeakPolarHBondContact O-CB 3.42Å; D26-D29 PolarHBondContact O-N 3.48Å; D29-L32 PolarHBondContact O-N 3.07Å; D29-L33 WeakPolarHBondContact O-CB 3.42Å; D29-L33 WeakPolarHBondContact O-CD1 3.33Å; D29-L33 WeakPolarHBondContact O-CG 3.32Å; D29-L33 PolarHBondContact O-N 3.16Å
30I71.7Confident69.1Low68 Ų68115.1 Ų115.135%0.34963%0.627SS.*Hα-helixtrans-65.7-39.1174.7-61.9168.9000110.9L25 D26 G28 K34L25-I30 HydrophobicContact CB-CG1 4.03Å; D26-I30 WeakPolarHBondContact O-CG1 3.38Å; D26-I30 PolarHBondContact O-N 3.36Å; G28-I30 VanDerWaalsContact C-N 3.34Å; I30-K34 HydrophobicContact CG2-CD 4.28Å; I30-K34 WeakPolarHBondContact O-CB 3.37Å; I30-K34 VanDerWaalsContact O-CG 3.28Å; I30-K34 WeakPolarHBondContact O-CG 3.46Å; I30-K34 PolarHBondContact O-N 3.26Å
31A68.7Low70.2Confident53 Ų53113.1 Ų113.144%0.43862%0.615SS.*Hα-helixtrans-66.4-43.4176.200000112E27 G28 K34 T35E27-A31 PolarHBondContact O-N 2.96Å; G28-A31 PolarHBondContact O-N 3.44Å; A31-K34 PolarHBondContact O-N 3.45Å; A31-T35 PolarHBondContact O-N 3.28Å; A31-T35 PolarHBondContact O-OG1 3.28Å
32L69.2Low71.3Confident103 Ų103108.7 Ų108.754%0.53959%0.587SS.*Hα-helixtrans-60.9-44.8174.8-99.6154.4000112G28 D29 K34 T35 Y36G28-L32 PolarHBondContact O-N 3.34Å; D29-L32 PolarHBondContact O-N 3.07Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3Å; L32-T35 WeakPolarHBondContact CA-OG1 3.12Å; L32-T35 PolarHBondContact O-N 3.06Å; L32-T35 PolarHBondContact O-OG1 3.49Å; L32-Y36 PolarHBondContact O-N 3.12Å
33L69.1Low72.2Confident105 Ų105109.6 Ų109.655%0.5558%0.579SS.*Hα-helixtrans-62.9-35.7175.1-78.5162.5000112.6L25 D29 Y36L25-L33 HydrophobicContact CD1-CD1 3.99Å; L25-L33 HydrophobicContact CD2-CD1 4.19Å; D29-L33 WeakPolarHBondContact O-CB 3.42Å; D29-L33 WeakPolarHBondContact O-CD1 3.33Å; D29-L33 WeakPolarHBondContact O-CG 3.32Å; D29-L33 PolarHBondContact O-N 3.16Å; L33-Y36 PolarHBondContact O-N 3.15Å
34K67.6Low72.9Confident144 Ų144104.4 Ų104.463%0.62656%0.564SS**Hα-helixtrans-69.9-30.5175.2-77.5174-179.3177.40113.3I30 A31 L32 Q38I30-K34 HydrophobicContact CG2-CD 4.28Å; I30-K34 WeakPolarHBondContact O-CB 3.37Å; I30-K34 VanDerWaalsContact O-CG 3.28Å; I30-K34 WeakPolarHBondContact O-CG 3.46Å; I30-K34 PolarHBondContact O-N 3.26Å; A31-K34 PolarHBondContact O-N 3.45Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3Å; K34-Q38 VanDerWaalsContact O-CD 3.24Å; K34-Q38 PolarHBondContact O-NE2 3.36Å; K34-Q38 VanDerWaalsContact O-NE2 3.1Å
35T65.2Low73.7Confident84 Ų84105 Ų10552%0.51556%0.555SS.*Hα-helixtrans-82.4-20.9174.548.30000113.3A31 L32 G37 Q38A31-T35 PolarHBondContact O-N 3.28Å; A31-T35 PolarHBondContact O-OG1 3.28Å; L32-T35 WeakPolarHBondContact CA-OG1 3.12Å; L32-T35 PolarHBondContact O-N 3.06Å; L32-T35 PolarHBondContact O-OG1 3.49Å; T35-G37 PolarHBondContact O-N 3.14Å; T35-Q38 PolarHBondContact O-N 3.22Å
36Y65.1Low74.4Confident189 Ų189105 Ų10574%0.74155%0.551SS**THydrogen-bonded Turntrans-66116.1178.7-116.7-96.7000110.4L32 L33L32-Y36 PolarHBondContact O-N 3.12Å; L33-Y36 PolarHBondContact O-N 3.15Å
37G66.9Low75Confident83 Ų83104.9 Ų104.986%0.85655%0.547SS*.THydrogen-bonded Turntrans91.8-2-17900000115.6T35T35-G37 PolarHBondContact O-N 3.14Å
38Q71Confident75.8Confident101 Ų101100.5 Ų100.547%0.47253%0.532SS..  trans-87.9129.6171.8-68.2-175.23.700110.5K34 T35K34-Q38 VanDerWaalsContact O-CD 3.24Å; K34-Q38 PolarHBondContact O-NE2 3.36Å; K34-Q38 VanDerWaalsContact O-NE2 3.1Å; T35-Q38 PolarHBondContact O-N 3.22Å
39S70.3Confident76.8Confident75 Ų75103.4 Ų103.452%0.52453%0.533SS..  trans-67.7154174.169.60000110.7Y41 S42S39-Y41 PolarHBondContact O-N 3.22Å; S39-S42 VanDerWaalsContact O-CB 3.25Å; S39-S42 WeakPolarHBondContact O-CB 3.23Å; S39-S42 PolarHBondContact O-N 2.82Å
40T76.8Confident77.9Confident128 Ų128104.1 Ų104.179%0.78554%0.537SS*.THydrogen-bonded Turntrans-53.6-28179.148.70000113.5
41Y81.7Confident78.9Confident149 Ų149105.1 Ų105.158%0.58454%0.543SS*.THydrogen-bonded Turntrans-88.9-9.5179.4-62.5-75.6000114.4S39 R43 Q44 I45S39-Y41 PolarHBondContact O-N 3.22Å; Y41-R43 PolarHBondContact O-N 2.96Å; Y41-R43 VanDerWaalsContact O-N 3.17Å; Y41-Q44 PolarHBondContact O-N 3.13Å; Y41-I45 WeakPolarHBondContact O-CG1 3.46Å; Y41-I45 PolarHBondContact O-N 3.48Å
42S82.1Confident80.1Confident25 Ų25107 Ų10718%0.17555%0.545CS..Hα-helixtrans-57.7-35.7-174.7-175.90000112.9S39 K46S39-S42 VanDerWaalsContact O-CB 3.25Å; S39-S42 WeakPolarHBondContact O-CB 3.23Å; S39-S42 PolarHBondContact O-N 2.82Å; S42-K46 WeakPolarHBondContact O-CG 3.47Å; S42-K46 PolarHBondContact O-N 3.24Å; S42-K46 VanDerWaalsContact O-N 3.13Å
43R80.9Confident81.3Confident191 Ų191107.5 Ų107.572%0.72154%0.544SS*.Hα-helixtrans-69.3-39.8177.1-171.8176-179.8171.11112.9Y41 Q47Y41-R43 PolarHBondContact O-N 2.96Å; Y41-R43 VanDerWaalsContact O-N 3.17Å; R43-Q47 WeakPolarHBondContact O-CG 3.41Å; R43-Q47 PolarHBondContact O-N 2.96Å; R43-Q47 VanDerWaalsContact O-N 3.11Å
44Q85.4Confident82.5Confident113 Ų113108 Ų10853%0.52854%0.544SS..Hα-helixtrans-68.8-38.9177.8-69.9-179.7-14.800111Y41 Q47 V48Y41-Q44 PolarHBondContact O-N 3.13Å; Q44-Q47 PolarHBondContact O-N 2.99Å; Q44-V48 WeakPolarHBondContact O-CG2 3.42Å; Q44-V48 PolarHBondContact O-N 2.91Å
45I86.7Confident83.6Confident93 Ų93106 Ų10648%0.47754%0.54SS..Hα-helixtrans-62.8-45.9176.6-65.6168.8000110.6Y41 Q47 V48 E49Y41-I45 WeakPolarHBondContact O-CG1 3.46Å; Y41-I45 PolarHBondContact O-N 3.48Å; I45-Q47 VanDerWaalsContact C-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.44Å; I45-V48 PolarHBondContact O-N 3.37Å; I45-E49 WeakPolarHBondContact O-CG 3.39Å; I45-E49 PolarHBondContact O-N 3.47Å
46K87.8Confident84.8Confident104 Ų104106.3 Ų106.345%0.45254%0.538SS..Hα-helixtrans-61.7-39.8176.5-75.6-179.2179.2177.60113S42 V48 E49 D50S42-K46 WeakPolarHBondContact O-CG 3.47Å; S42-K46 PolarHBondContact O-N 3.24Å; S42-K46 VanDerWaalsContact O-N 3.13Å; K46-V48 VanDerWaalsContact C-N 3.34Å; K46-V48 PolarHBondContact O-N 3.18Å; K46-E49 PolarHBondContact O-N 3.06Å; K46-D50 PolarHBondContact O-N 3.31Å
47Q90.4Very high86Confident100 Ų100103.8 Ų103.847%0.46753%0.53SS..Hα-helixtrans-61.5-42.5174.7-75.8174.7-24.700111.9R43 Q44 I45 D50 D51R43-Q47 WeakPolarHBondContact O-CG 3.41Å; R43-Q47 PolarHBondContact O-N 2.96Å; R43-Q47 VanDerWaalsContact O-N 3.11Å; Q44-Q47 PolarHBondContact O-N 2.99Å; I45-Q47 VanDerWaalsContact C-N 3.34Å; I45-Q47 PolarHBondContact O-N 3.44Å; Q47-D50 PolarHBondContact O-N 3.13Å; Q47-D51 PolarHBondContact O-N 3.43Å
48V91.5Very high87Confident84 Ų84105.9 Ų105.951%0.50952%0.516SS..Hα-helixtrans-66-38.2176.2173.10000111.5Q44 I45 K46 D51 I52Q44-V48 WeakPolarHBondContact O-CG2 3.42Å; Q44-V48 PolarHBondContact O-N 2.91Å; I45-V48 PolarHBondContact O-N 3.37Å; K46-V48 VanDerWaalsContact C-N 3.34Å; K46-V48 PolarHBondContact O-N 3.18Å; V48-D51 PolarHBondContact O-N 3.13Å; V48-I52 HydrophobicContact CG1-CD1 3.9Å; V48-I52 HydrophobicContact CG1-CG1 4.43Å; V48-I52 WeakPolarHBondContact O-CB 3.37Å; V48-I52 WeakPolarHBondContact O-CG1 3.13Å; V48-I52 PolarHBondContact O-N 2.81Å
49E93.4Very high87.7Confident107 Ų107105.6 Ų105.650%0.552%0.517SS..Hα-helixtrans-62.5-43.3174.2-74.4177169.300112I45 K46 I52 Q53I45-E49 WeakPolarHBondContact O-CG 3.39Å; I45-E49 PolarHBondContact O-N 3.47Å; K46-E49 PolarHBondContact O-N 3.06Å; E49-I52 PolarHBondContact O-N 2.96Å; E49-Q53 WeakPolarHBondContact O-CG 3.39Å; E49-Q53 PolarHBondContact O-N 3.39Å
50D94Very high88.4Confident88 Ų88107 Ų10747%0.47152%0.518SS..Hα-helixtrans-63.6-42.2176-70.9-26.4000111.4K46 Q47 Q53 Q54K46-D50 PolarHBondContact O-N 3.31Å; Q47-D50 PolarHBondContact O-N 3.13Å; D50-Q53 PolarHBondContact O-N 3.45Å; D50-Q54 WeakPolarHBondContact O-CG 3.24Å; D50-Q54 PolarHBondContact O-N 2.75Å
51D94Very high88.7Confident89 Ų89107.4 Ų107.448%0.47651%0.511SS..Hα-helixtrans-63.8-41.8176.4-76.1-13.7000111.8Q47 V48 Q53 Q54 L55Q47-D51 PolarHBondContact O-N 3.43Å; V48-D51 PolarHBondContact O-N 3.13Å; D51-Q53 VanDerWaalsContact C-N 3.32Å; D51-Q53 PolarHBondContact O-N 2.81Å; D51-Q54 PolarHBondContact O-N 2.97Å; D51-L55 WeakPolarHBondContact O-CB 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.48Å; D51-L55 PolarHBondContact O-N 3.01Å
52I94.1Very high88.4Confident91 Ų91105.7 Ų105.747%0.46751%0.512SS..Hα-helixtrans-60.5-43.7174.9-71.6165.3000110.3V48 E49 L55 L56V48-I52 HydrophobicContact CG1-CD1 3.9Å; V48-I52 HydrophobicContact CG1-CG1 4.43Å; V48-I52 WeakPolarHBondContact O-CB 3.37Å; V48-I52 WeakPolarHBondContact O-CG1 3.13Å; V48-I52 PolarHBondContact O-N 2.81Å; E49-I52 PolarHBondContact O-N 2.96Å; I52-L55 PolarHBondContact O-N 2.67Å; I52-L56 HydrophobicContact CG2-CD1 4.16Å; I52-L56 WeakPolarHBondContact O-CB 3.5Å; I52-L56 PolarHBondContact O-N 2.81Å
53Q93.9Very high87.9Confident114 Ų114108.7 Ų108.753%0.53353%0.529SS..Hα-helixtrans-66.1-37.8178-72.7-173.214.500112.6E49 D50 D51 L56 K57E49-Q53 WeakPolarHBondContact O-CG 3.39Å; E49-Q53 PolarHBondContact O-N 3.39Å; D50-Q53 PolarHBondContact O-N 3.45Å; D51-Q53 VanDerWaalsContact C-N 3.32Å; D51-Q53 PolarHBondContact O-N 2.81Å; Q53-L56 PolarHBondContact O-N 3Å; Q53-K57 WeakPolarHBondContact O-CG 3.31Å; Q53-K57 PolarHBondContact O-N 3.04Å
54Q94.4Very high87.1Confident117 Ų117102.8 Ų102.855%0.54753%0.527SS..Hα-helixtrans-66.8-41.8175.4-72.4179.924.900112.1D50 D51 K57 K58D50-Q54 WeakPolarHBondContact O-CG 3.24Å; D50-Q54 PolarHBondContact O-N 2.75Å; D51-Q54 PolarHBondContact O-N 2.97Å; Q54-K57 PolarHBondContact O-N 2.66Å; Q54-K58 PolarHBondContact O-N 2.81Å
55L90.8Very high86.1Confident102 Ų102103 Ų10353%0.53453%0.531SS..Hα-helixtrans-63.7-41.3174.6-74170.8000111.5D51 I52 K57 K58 I59D51-L55 WeakPolarHBondContact O-CB 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.48Å; D51-L55 PolarHBondContact O-N 3.01Å; I52-L55 PolarHBondContact O-N 2.67Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.21Å; L55-K58 PolarHBondContact O-N 3.3Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.48Å; L55-I59 PolarHBondContact O-N 2.97Å
56L90.5Very high84.8Confident90 Ų90107.5 Ų107.547%0.47155%0.547SS..Hα-helixtrans-59.4-42.5173.9-97.2160.8000112.3I52 Q53 I59 N60I52-L56 HydrophobicContact CG2-CD1 4.16Å; I52-L56 WeakPolarHBondContact O-CB 3.5Å; I52-L56 PolarHBondContact O-N 2.81Å; Q53-L56 PolarHBondContact O-N 3Å; L56-I59 PolarHBondContact O-N 3.22Å; L56-N60 WeakPolarHBondContact O-CB 3.24Å; L56-N60 PolarHBondContact O-N 3.15Å; L56-N60 PolarHBondContact O-ND2 3.07Å
57K90.2Very high83.5Confident135 Ų135110.5 Ų110.559%0.58756%0.562SS**Hα-helixtrans-62-45.7175.1-74.2175.8-177.5176.20111.7Q53 Q54 L55 I59 N60 E61Q53-K57 WeakPolarHBondContact O-CG 3.31Å; Q53-K57 PolarHBondContact O-N 3.04Å; Q54-K57 PolarHBondContact O-N 2.66Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 3.21Å; K57-I59 PolarHBondContact O-N 3.2Å; K57-N60 PolarHBondContact O-N 3.39Å; K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 2.83Å
58K87.4Confident81.8Confident128 Ų128109.3 Ų109.356%0.55757%0.565SS**Hα-helixtrans-60.7-42175.3-77.5-177.7177.4175.50112.6Q54 L55 N60 E61 L62Q54-K58 PolarHBondContact O-N 2.81Å; L55-K58 PolarHBondContact O-N 3.3Å; K58-N60 VanDerWaalsContact C-N 3.35Å; K58-E61 PolarHBondContact O-N 2.87Å; K58-L62 WeakPolarHBondContact O-CB 3.47Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 3.45Å
59I85.6Confident80Confident94 Ų94113.2 Ų113.248%0.48258%0.583SS.*Hα-helixtrans-64.8-41.2177.2-68.4165000110.4L55 L56 K57 L62 T63L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.48Å; L55-I59 PolarHBondContact O-N 2.97Å; L56-I59 PolarHBondContact O-N 3.22Å; K57-I59 PolarHBondContact O-N 3.2Å; I59-L62 PolarHBondContact O-N 3.41Å; I59-T63 HydrophobicContact CG2-CG2 4.27Å; I59-T63 WeakPolarHBondContact O-CB 3.39Å; I59-T63 WeakPolarHBondContact O-CG2 3.25Å; I59-T63 PolarHBondContact O-N 2.9Å; I59-T63 PolarHBondContact O-OG1 2.99Å
60N84.2Confident78.4Confident104 Ų104112.6 Ų112.656%0.55659%0.587SS**Hα-helixtrans-65.8-37.5176.6-76.2-18.2000112.6L56 K57 K58 T63 G64L56-N60 WeakPolarHBondContact O-CB 3.24Å; L56-N60 PolarHBondContact O-N 3.15Å; L56-N60 PolarHBondContact O-ND2 3.07Å; K57-N60 PolarHBondContact O-N 3.39Å; K58-N60 VanDerWaalsContact C-N 3.35Å; N60-T63 VanDerWaalsContact CA-OG1 3.26Å; N60-T63 WeakPolarHBondContact CA-OG1 3.22Å; N60-T63 PolarHBondContact O-OG1 3.33Å; N60-G64 PolarHBondContact O-N 3.3Å
61E83.3Confident76.5Confident137 Ų137112 Ų11264%0.6460%0.602SS**Hα-helixtrans-65.4-45.2173.5-74.7170.8-175.700111.3K57 K58 G64 I65K57-E61 WeakPolarHBondContact O-CG 3.45Å; K57-E61 PolarHBondContact O-N 2.83Å; K58-E61 PolarHBondContact O-N 2.87Å; E61-G64 PolarHBondContact O-N 2.89Å; E61-I65 PolarHBondContact O-N 3.28Å
62L75.3Confident74.9Confident114 Ų114112.3 Ų112.360%0.59760%0.603SS**Hα-helixtrans-69.5-36.1178.5-71.8168000113K58 I59 G64 I65K58-L62 WeakPolarHBondContact O-CB 3.47Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.22Å; K58-L62 PolarHBondContact O-N 3.45Å; I59-L62 PolarHBondContact O-N 3.41Å; L62-G64 VanDerWaalsContact C-N 3.26Å; L62-G64 PolarHBondContact O-N 3.49Å; L62-I65 HydrophobicContact CD2-CD1 4.49Å; L62-I65 CarbonylContact O-C 3.4Å; L62-I65 WeakPolarHBondContact O-CA 3.49Å; L62-I65 WeakPolarHBondContact O-CB 3.44Å; L62-I65 PolarHBondContact O-N 3.44Å
63T72.2Confident73.2Confident88 Ų88110.1 Ų110.154%0.5460%0.598SS.*Hα-helixtrans-70-23.9176.2420000112.7I59 N60 I65I59-T63 HydrophobicContact CG2-CG2 4.27Å; I59-T63 WeakPolarHBondContact O-CB 3.39Å; I59-T63 WeakPolarHBondContact O-CG2 3.25Å; I59-T63 PolarHBondContact O-N 2.9Å; I59-T63 PolarHBondContact O-OG1 2.99Å; N60-T63 VanDerWaalsContact CA-OG1 3.26Å; N60-T63 WeakPolarHBondContact CA-OG1 3.22Å; N60-T63 PolarHBondContact O-OG1 3.33Å; T63-I65 VanDerWaalsContact C-N 3.26Å
64G64.6Low72Confident66 Ų66108.5 Ų108.568%0.6860%0.598SS**Hα-helixtrans-68.2-26.8167.700000113N60 E61 L62 K66N60-G64 PolarHBondContact O-N 3.3Å; E61-G64 PolarHBondContact O-N 2.89Å; L62-G64 VanDerWaalsContact C-N 3.26Å; L62-G64 PolarHBondContact O-N 3.49Å; G64-K66 VanDerWaalsContact C-N 3.35Å; G64-K66 PolarHBondContact O-N 3.11Å
65I63.5Low70.6Confident117 Ų117107.7 Ų107.760%0.660%0.603SS**SBendtrans-86.779.9171.9-54166.5000107.4E61 L62 T63 E67E61-I65 PolarHBondContact O-N 3.28Å; L62-I65 HydrophobicContact CD2-CD1 4.49Å; L62-I65 CarbonylContact O-C 3.4Å; L62-I65 WeakPolarHBondContact O-CA 3.49Å; L62-I65 WeakPolarHBondContact O-CB 3.44Å; L62-I65 PolarHBondContact O-N 3.44Å; T63-I65 VanDerWaalsContact C-N 3.26Å; I65-E67 PolarHBondContact O-N 3.06Å
66K60.3Low69.6Low188 Ų188107.7 Ų107.782%0.81762%0.617SS**  trans-68.4101.9164-72-175178.5-177.30107.6G64 S68G64-K66 VanDerWaalsContact C-N 3.35Å; G64-K66 PolarHBondContact O-N 3.11Å; K66-S68 PolarHBondContact O-N 3.48Å; K66-S68 VanDerWaalsContact O-N 3.16Å
67E58.8Low68.6Low167 Ų167109.7 Ų109.778%0.7863%0.628SS**  trans-53.2121.9150.5-78.2-175.2159.500105.9I65 D69I65-E67 PolarHBondContact O-N 3.06Å; E67-D69 PolarHBondContact O-N 3.33Å
68S56.2Low67.8Low75 Ų75108.6 Ų108.652%0.52462%0.62SS.*  trans-66.8106.3177.454.50000107.6K66 T70 G71K66-S68 PolarHBondContact O-N 3.48Å; K66-S68 VanDerWaalsContact O-N 3.16Å; S68-T70 WeakPolarHBondContact CB-OG1 3.38Å; S68-T70 PolarHBondContact O-N 3.01Å; S68-G71 PolarHBondContact O-N 3.38Å
69D52.6Low67.3Low167 Ų167107.4 Ų107.489%0.89362%0.62SS**THydrogen-bonded Turntrans-56.6-1.5173.1-74.9-31.1000113.7E67 G71E67-D69 PolarHBondContact O-N 3.33Å; D69-G71 PolarHBondContact O-N 3Å
70T59.8Low67Low94 Ų94108.2 Ų108.258%0.57763%0.625SS**THydrogen-bonded Turntrans-69.4-8.7176.954.70000113.4S68 L72S68-T70 WeakPolarHBondContact CB-OG1 3.38Å; S68-T70 PolarHBondContact O-N 3.01Å; T70-L72 PolarHBondContact O-N 3.5Å; T70-L72 VanDerWaalsContact O-N 3.1Å
71G55.7Low66.7Low76 Ų76106.3 Ų106.378%0.78462%0.623SS**  trans63.514-177.200000113.4S68 D69S68-G71 PolarHBondContact O-N 3.38Å; D69-G71 PolarHBondContact O-N 3Å
72L58.7Low66.4Low95 Ų95101.5 Ų101.550%0.49761%0.607SS.*  trans-79.4135.8177.1-63.5170.6000108.8T70 W78T70-L72 PolarHBondContact O-N 3.5Å; T70-L72 VanDerWaalsContact O-N 3.1Å; L72-W78 HydrophobicContact CB-CZ2 4.13Å; L72-W78 HydrophobicContact CD1-CH2 4.34Å; L72-W78 HydrophobicContact CD1-CZ2 4.06Å; L72-W78 HydrophobicContact CD2-CZ2 4.06Å; L72-W78 HydrophobicContact CG-CZ2 4.29Å
73A59.6Low66.5Low45 Ų45100 Ų10037%0.37260%0.6SS.*  trans-55.1145.617100000109.9L77A73-L77 HydrophobicContact CB-CB 4.07Å; A73-L77 HydrophobicContact CB-CD1 4.34Å
74P68.1Low66.8Low80 Ų80102.5 Ų102.552%0.51960%0.603SS.*  trans-43.8138.5172-29.529.9000111.4A76 L77P74-A76 PolarHBondContact O-N 3.45Å; P74-L77 HydrophobicContact CB-CD1 4.29Å; P74-L77 HydrophobicContact CG-CD1 4.02Å; P74-L77 WeakPolarHBondContact O-CB 3.39Å; P74-L77 PolarHBondContact O-N 2.93Å
75P65.8Low67.5Low100 Ų100105.8 Ų105.865%0.64960%0.6SS**G310 helixtrans-55.3-19.6-176.8-28.334.7000114.9L77 W78P75-L77 VanDerWaalsContact C-N 3.31Å; P75-W78 PolarHBondContact O-N 3.49Å
76A70.3Confident68Low102 Ų102103.2 Ų103.284%0.84359%0.59SS**G310 helixtrans-71.2-21.6174.100000114.2P74P74-A76 PolarHBondContact O-N 3.45Å
77L69.4Low68.7Low131 Ų131101.3 Ų101.369%0.68659%0.588SS**G310 helixtrans-91.1-5.5175.6-74.8157.1000112.2A73 P74 P75A73-L77 HydrophobicContact CB-CB 4.07Å; A73-L77 HydrophobicContact CB-CD1 4.34Å; P74-L77 HydrophobicContact CB-CD1 4.29Å; P74-L77 HydrophobicContact CG-CD1 4.02Å; P74-L77 WeakPolarHBondContact O-CB 3.39Å; P74-L77 PolarHBondContact O-N 2.93Å; P75-L77 VanDerWaalsContact C-N 3.31Å
78W71.7Confident69.4Low112 Ų112100.4 Ų100.442%0.42458%0.584SS.*SBendtrans-80.1129.3173-75.47.7000110.1L72 P75 L80L72-W78 HydrophobicContact CB-CZ2 4.13Å; L72-W78 HydrophobicContact CD1-CH2 4.34Å; L72-W78 HydrophobicContact CD1-CZ2 4.06Å; L72-W78 HydrophobicContact CD2-CZ2 4.06Å; L72-W78 HydrophobicContact CG-CZ2 4.29Å; P75-W78 PolarHBondContact O-N 3.49Å; W78-L80 HydrophobicContact CB-CD2 4.33Å; W78-L80 HydrophobicContact CB-CG 4.4Å; W78-L80 HydrophobicContact CE3-CD2 4.3Å; W78-L80 PolarHBondContact O-N 3.37Å
79D78.2Confident70Confident104 Ų104101.1 Ų101.156%0.55659%0.589SS**  trans-78.278.6167.8-168.7-13.6000109.4A81 A82 D83D79-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact O-N 3.1Å; D79-A81 WeakPolarHBondContact OD1-CB 3.29Å; D79-A81 PolarHBondContact OD1-N 3.43Å; D79-A82 HydrophobicContact CB-CB 3.95Å; D79-A82 PolarHBondContact O-N 3.3Å; D79-A82 VanDerWaalsContact O-N 3.09Å; D79-A82 PolarHBondContact OD1-N 3.39Å; D79-D83 PolarHBondContact O-N 2.88Å
80L77.8Confident70.8Confident111 Ų111100 Ų10058%0.58158%0.578SS**Hα-helixtrans-58.3-22.7178-65.1170000112.4W78 K84W78-L80 HydrophobicContact CB-CD2 4.33Å; W78-L80 HydrophobicContact CB-CG 4.4Å; W78-L80 HydrophobicContact CE3-CD2 4.3Å; W78-L80 PolarHBondContact O-N 3.37Å; L80-K84 VanDerWaalsContact O-CB 3.29Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 3.44Å; L80-K84 VanDerWaalsContact O-N 3.15Å
81A78.4Confident71.4Confident63 Ų63101.4 Ų101.452%0.52158%0.578SS.*Hα-helixtrans-75.4-43.917700000110.8D79 K84 Q85D79-A81 PolarHBondContact O-N 2.81Å; D79-A81 VanDerWaalsContact O-N 3.1Å; D79-A81 WeakPolarHBondContact OD1-CB 3.29Å; D79-A81 PolarHBondContact OD1-N 3.43Å; A81-K84 PolarHBondContact O-N 3.12Å; A81-Q85 WeakPolarHBondContact O-CG 3.36Å; A81-Q85 PolarHBondContact O-N 3.49Å; A81-Q85 VanDerWaalsContact O-N 3.13Å
82A78.5Confident72.6Confident37 Ų37101.7 Ų101.731%0.30657%0.566SS.*Hα-helixtrans-61.2-47.5171.900000111.3D79 K84 Q85 T86D79-A82 HydrophobicContact CB-CB 3.95Å; D79-A82 PolarHBondContact O-N 3.3Å; D79-A82 VanDerWaalsContact O-N 3.09Å; D79-A82 PolarHBondContact OD1-N 3.39Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 3.06Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.21Å; A82-T86 PolarHBondContact O-N 3.37Å; A82-T86 PolarHBondContact O-OG1 3.48Å
83D77.1Confident73.8Confident83 Ų83100.4 Ų100.444%0.44456%0.56SS.*Hα-helixtrans-60-38.5179.8-71.9-22.6000112.6D79 Q85 T86 L87D79-D83 PolarHBondContact O-N 2.88Å; D83-Q85 VanDerWaalsContact C-N 3.34Å; D83-T86 PolarHBondContact O-N 3.46Å; D83-L87 WeakPolarHBondContact O-CB 3.1Å; D83-L87 PolarHBondContact O-N 3.25Å
84K78.4Confident75.1Confident139 Ų13999.9 Ų99.960%0.60455%0.55SS*.Hα-helixtrans-68.2-34.3176.7-169.5174.7-177.4179.20112.2L80 A81 A82 Q88L80-K84 VanDerWaalsContact O-CB 3.29Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 3.44Å; L80-K84 VanDerWaalsContact O-N 3.15Å; A81-K84 PolarHBondContact O-N 3.12Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 3.06Å; K84-Q88 VanDerWaalsContact O-CG 3.3Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.25Å
85Q78.1Confident76.1Confident135 Ų13599.4 Ų99.463%0.63155%0.545SS*.Hα-helixtrans-70.1-41.2173.1-71.3-179.58.100111.3A81 A82 D83 Q88 S89A81-Q85 WeakPolarHBondContact O-CG 3.36Å; A81-Q85 PolarHBondContact O-N 3.49Å; A81-Q85 VanDerWaalsContact O-N 3.13Å; A82-Q85 WeakPolarHBondContact O-CB 3.44Å; A82-Q85 PolarHBondContact O-N 3.21Å; D83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-Q88 PolarHBondContact O-N 3.28Å; Q85-S89 WeakPolarHBondContact O-CB 3.25Å; Q85-S89 PolarHBondContact O-N 3.08Å; Q85-S89 PolarHBondContact O-OG 3.09Å
86T74.4Confident77.2Confident63 Ų6394.8 Ų94.839%0.38752%0.516SS..Hα-helixtrans-61.9-44.4175.1-49.20000111A82 D83 Q88 S89 E90A82-T86 PolarHBondContact O-N 3.37Å; A82-T86 PolarHBondContact O-OG1 3.48Å; D83-T86 PolarHBondContact O-N 3.46Å; T86-Q88 PolarHBondContact O-N 2.97Å; T86-S89 WeakPolarHBondContact CA-OG 3.28Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.33Å; T86-E90 HydrophobicContact CG2-CB 4.49Å; T86-E90 HydrophobicContact CG2-CG 4.45Å; T86-E90 PolarHBondContact O-N 3.2Å
87L74.3Confident78Confident148 Ų14896 Ų9678%0.77550%0.498SS*.Hα-helixtrans-65.8-23.6178.3-167.2129000113.5D83D83-L87 WeakPolarHBondContact O-CB 3.1Å; D83-L87 PolarHBondContact O-N 3.25Å
88Q73.7Confident78.9Confident149 Ų14989.8 Ų89.870%0.69647%0.466SS*.Hα-helixtrans-88.2-29.9175.6-73.8-178.4-1.200113.4K84 Q85 T86K84-Q88 VanDerWaalsContact O-CG 3.3Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.25Å; Q85-Q88 PolarHBondContact O-N 3.28Å; T86-Q88 PolarHBondContact O-N 2.97Å
89S70.1Confident79.6Confident90 Ų9086.9 Ų86.963%0.62946%0.461SS*.Hα-helixtrans-94.4-37.1-175530000113.3Q85 T86Q85-S89 WeakPolarHBondContact O-CB 3.25Å; Q85-S89 PolarHBondContact O-N 3.08Å; Q85-S89 PolarHBondContact O-OG 3.09Å; T86-S89 WeakPolarHBondContact CA-OG 3.28Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.33Å
90E68.8Low80Confident142 Ų14287.7 Ų87.766%0.66446%0.459SS*.  trans-102.8109.4-178.2-67.4-169.6163.900111.1T86T86-E90 HydrophobicContact CG2-CB 4.49Å; T86-E90 HydrophobicContact CG2-CG 4.45Å; T86-E90 PolarHBondContact O-N 3.2Å
91Q72.8Confident80.5Confident124 Ų12484.4 Ų84.458%0.57944%0.442SS*.  trans-75.1145.4170-65.8-173.6100110.2L93Q91-L93 PolarHBondContact O-N 3.47Å
92P80Confident80.7Confident82 Ų8283.9 Ų83.953%0.53243%0.43SS..  trans-68.5104-177.327.6-35.1000111.2R144P92-R144 PolarHBondContact O-NE 3.26Å
93L85.2Confident80.2Confident69 Ų6986.9 Ų86.936%0.36144%0.44SS..PPolyproline II helixtrans-68.4140.5176.3-62.9171.7000111.4Q91 H150 I151Q91-L93 PolarHBondContact O-N 3.47Å; L93-H150 HydrophobicContact CD1-CB 4.32Å; L93-H150 HydrophobicContact CD2-CB 3.77Å; L93-I151 HydrophobicContact CD1-CG2 3.74Å
94Q86.1Confident79.5Confident34 Ų3486.4 Ų86.416%0.15945%0.448CS..EExtended strand (participates in β ladder)trans-94.4135.3170.9-168.7171.22400109.9A96 V115 V142 R144Q94-A96 PolarHBondContact O-N 3.41Å; Q94-V115 HydrophobicContact CG-CG1 4.22Å; Q94-V142 PolarHBondContact N-O 3.29Å; Q94-V142 PolarHBondContact O-N 3.13Å; Q94-R144 HydrophobicContact CB-CG 4.23Å
95V88.3Confident78.6Confident69 Ų6987.9 Ų87.942%0.41846%0.463SS..EExtended strand (participates in β ladder)trans-80.6121.4179.8-177.70000110.2L153V95-L153 HydrophobicContact CB-CD1 4.41Å; V95-L153 HydrophobicContact CG1-CD1 4Å; V95-L153 HydrophobicContact CG2-CD1 3.91Å
96A88.9Confident78.1Confident4 Ų484.8 Ų84.83%0.03346%0.456CS..EExtended strand (participates in β ladder)trans-121.8168.3172.700000111.2Q94 I113 V115 R139 V140 V142Q94-A96 PolarHBondContact O-N 3.41Å; A96-I113 HydrophobicContact CB-CB 4.11Å; A96-I113 HydrophobicContact CB-CD1 4.07Å; A96-V115 HydrophobicContact CB-CG2 3.91Å; A96-R139 WeakPolarHBondContact O-CA 3.32Å; A96-V140 HydrophobicContact CB-CG2 4.24Å; A96-V140 PolarHBondContact N-O 3.43Å; A96-V140 PolarHBondContact O-N 2.95Å; A96-V142 HydrophobicContact CB-CB 4.41Å; A96-V142 HydrophobicContact CB-CG2 3.76Å
97R88.3Confident77.5Confident127 Ų12790.9 Ų90.948%0.47948%0.48SS..EExtended strand (participates in β ladder)trans-115.9126.8171.7-179.2-178.1-78.6166.8-7109.6T99 I113 N114 M138R97-T99 PolarHBondContact O-N 3.43Å; R97-I113 CarbonylContact O-C 3.53Å; R97-I113 WeakPolarHBondContact O-CA 3.48Å; R97-N114 PolarHBondContact N-O 3.33Å; R97-N114 PolarHBondContact O-N 2.91Å; R97-M138 WeakPolarHBondContact CA-O 3.44Å
98C87.2Confident77.3Confident0 Ų089.5 Ų89.50%047%0.474CS..EExtended strand (participates in β ladder)trans-67.2124169.3-170.80000108.7I134 G137 M138C98-I134 HydrophobicContact CB-CG2 4.38Å; C98-G137 WeakPolarHBondContact O-CA 3.41Å; C98-G137 PolarHBondContact O-N 3.32Å; C98-M138 PolarHBondContact N-O 3.35Å
99T86.9Confident77.5Confident52 Ų5283.4 Ų83.432%0.31945%0.447SS..EExtended strand (participates in β ladder)trans-102.7-35.1-178.154.30000112.9R97 I112 N114R97-T99 PolarHBondContact O-N 3.43Å; T99-I112 PolarHBondContact N-O 3.33Å; T99-I112 WeakPolarHBondContact OG1-CB 3.35Å; T99-I112 VanDerWaalsContact OG1-CG2 3.29Å; T99-I112 WeakPolarHBondContact OG1-CG2 3.44Å; T99-I112 PolarHBondContact OG1-O 2.99Å; T99-N114 HydrophobicContact CG2-CB 3.65Å
100K87.5Confident78.3Confident120 Ų12083.3 Ų83.352%0.52244%0.435SS..EExtended strand (participates in β ladder)trans-158.7145-179.3-165169.7-176.1174.90110.2I112 E136K100-I112 HydrophobicContact CB-CB 4.48Å; K100-I112 HydrophobicContact CB-CD1 4.26Å; K100-I112 HydrophobicContact CB-CG1 4.49Å; K100-I112 PolarHBondContact O-N 3.29Å; K100-E136 WeakPolarHBondContact CG-OE1 3.4Å
101I86.7Confident79.2Confident42 Ų4276.7 Ų76.722%0.21540%0.404CS..EExtended strand (participates in β ladder)trans-96.8129.3171.9-52.7170.4000108Y111 I134 E136I101-Y111 HydrophobicContact CB-CD1 4.39Å; I101-Y111 HydrophobicContact CB-CE1 4.34Å; I101-Y111 HydrophobicContact CD1-CE1 4.09Å; I101-Y111 HydrophobicContact CG1-CD1 3.8Å; I101-Y111 HydrophobicContact CG1-CE1 3.75Å; I101-Y111 HydrophobicContact CG2-CD1 4.17Å; I101-Y111 HydrophobicContact CG2-CE1 3.81Å; I101-I134 WeakPolarHBondContact CD1-O 3.11Å; I101-E136 HydrophobicContact CD1-CG 3.93Å; I101-E136 HydrophobicContact CG1-CG 3.81Å; I101-E136 PolarHBondContact N-OE1 3.11Å
102I82.6Confident80.1Confident53 Ų5372.7 Ų72.727%0.27239%0.386SS..EExtended strand (participates in β ladder)trans-105.8131.7176.4-58.8168.4000107.6K110 I112 V122I102-K110 WeakPolarHBondContact CA-O 3.45Å; I102-K110 HydrophobicContact CB-CB 4.25Å; I102-K110 WeakPolarHBondContact CB-O 3.42Å; I102-K110 PolarHBondContact N-O 3.11Å; I102-K110 PolarHBondContact O-N 2.93Å; I102-I112 HydrophobicContact CD1-CD1 3.76Å; I102-I112 HydrophobicContact CD1-CG1 3.48Å; I102-I112 VanDerWaalsContact CD1-CG1 3.48Å; I102-I112 HydrophobicContact CG1-CD1 4.17Å; I102-I112 HydrophobicContact CG1-CG1 3.97Å; I102-V122 HydrophobicContact CD1-CG1 4.37Å; I102-V122 HydrophobicContact CD1-CG2 4.48Å
103N69.8Low80.6Confident99 Ų9968.8 Ų68.853%0.52936%0.361SS..  trans58.858.6178-58.2-14.8000113.6D105 S106N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 VanDerWaalsContact O-N 3.14Å; N103-S106 PolarHBondContact O-N 2.94Å
104A61.4Low80.8Confident74 Ų7468.6 Ų68.661%0.61236%0.36SS*.THydrogen-bonded Turntrans-57.9-24.7177.100000114
105D59.6Low80.8Confident169 Ų16967.1 Ų67.190%0.90435%0.354SS*.THydrogen-bonded Turntrans-104.15.2-173.6-51.8-44.9000114.1N103N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 VanDerWaalsContact O-N 3.14Å
106S67.1Low80.1Confident71 Ų7172.2 Ų72.250%0.49737%0.37SS..SBendtrans-102.1156.4179.5-161.80000110.7N103 D108N103-S106 PolarHBondContact O-N 2.94Å; S106-D108 PolarHBondContact O-N 3.41Å
107E62.6Low79.4Confident190 Ų19078.6 Ų78.689%0.88840%0.399SS*.SBendtrans-55.7-26.2-177-68.8-170.116000114.1
108D69.4Low78.3Confident120 Ų12079.6 Ų79.664%0.64241%0.407SS*.SBendtrans-122.592.8176.9-62.8-36.1000111.8S106S106-D108 PolarHBondContact O-N 3.41Å
109P78.9Confident77.8Confident20 Ų2081.6 Ų81.613%0.1342%0.424CS..  trans-70.3132.4175.125.5-29.9000110.7Y111 P131P109-Y111 HydrophobicContact CB-CE2 4.14Å; P109-Y111 HydrophobicContact CG-CE2 4.26Å; P109-Y111 WeakPolarHBondContact O-CE2 3.41Å; P109-P131 HydrophobicContact CG-CB 3.77Å; P109-P131 HydrophobicContact CG-CG 3.78Å
110K85.8Confident77.9Confident89 Ų8986 Ų8639%0.38744%0.439SS..EExtended strand (participates in β ladder)trans-107.2142.8178.5-65.3-169.8175.5-172.60110.6I102 V122I102-K110 WeakPolarHBondContact CA-O 3.45Å; I102-K110 HydrophobicContact CB-CB 4.25Å; I102-K110 WeakPolarHBondContact CB-O 3.42Å; I102-K110 PolarHBondContact N-O 3.11Å; I102-K110 PolarHBondContact O-N 2.93Å; K110-V122 HydrophobicContact CB-CG1 4.04Å; K110-V122 HydrophobicContact CD-CG1 4.23Å
111Y88.8Confident77.9Confident3 Ų383.2 Ų83.21%0.01243%0.427CS..EExtended strand (participates in β ladder)trans-116.3135.5-174.8-60-91000110.5I101 P109 V122 V123 L125 P131 I134 I149I101-Y111 HydrophobicContact CB-CD1 4.39Å; I101-Y111 HydrophobicContact CB-CE1 4.34Å; I101-Y111 HydrophobicContact CD1-CE1 4.09Å; I101-Y111 HydrophobicContact CG1-CD1 3.8Å; I101-Y111 HydrophobicContact CG1-CE1 3.75Å; I101-Y111 HydrophobicContact CG2-CD1 4.17Å; I101-Y111 HydrophobicContact CG2-CE1 3.81Å; P109-Y111 HydrophobicContact CB-CE2 4.14Å; P109-Y111 HydrophobicContact CG-CE2 4.26Å; P109-Y111 WeakPolarHBondContact O-CE2 3.41Å; Y111-V122 CarbonylContact O-C 3.58Å; Y111-V122 WeakPolarHBondContact O-CA 3.43Å; Y111-V123 PolarHBondContact N-O 3.06Å; Y111-V123 WeakPolarHBondContact O-CG2 3.43Å; Y111-V123 PolarHBondContact O-N 3.15Å; Y111-L125 HydrophobicContact CD2-CD1 4.08Å; Y111-L125 HydrophobicContact CE2-CB 4.23Å; Y111-L125 HydrophobicContact CE2-CD1 3.57Å; Y111-L125 HydrophobicContact CE2-CG 4.4Å; Y111-P131 WeakPolarHBondContact OH-CA 3.2Å; Y111-P131 WeakPolarHBondContact OH-CB 3.35Å; Y111-I134 HydrophobicContact CD1-CG2 3.73Å; Y111-I134 HydrophobicContact CE1-CB 3.86Å; Y111-I134 HydrophobicContact CE1-CG2 3.56Å; Y111-I149 HydrophobicContact CD1-CD1 4.45Å; Y111-I149 HydrophobicContact CD2-CD1 4.03Å; Y111-I149 HydrophobicContact CG-CD1 3.81Å
112I90.3Very high78Confident39 Ų3985.6 Ų85.620%0.244%0.443CS..EExtended strand (participates in β ladder)trans-91110167.9-52.3-176.5000108T99 K100 I102 K120 F121 V122T99-I112 PolarHBondContact N-O 3.33Å; T99-I112 WeakPolarHBondContact OG1-CB 3.35Å; T99-I112 VanDerWaalsContact OG1-CG2 3.29Å; T99-I112 WeakPolarHBondContact OG1-CG2 3.44Å; T99-I112 PolarHBondContact OG1-O 2.99Å; K100-I112 HydrophobicContact CB-CB 4.48Å; K100-I112 HydrophobicContact CB-CD1 4.26Å; K100-I112 HydrophobicContact CB-CG1 4.49Å; K100-I112 PolarHBondContact O-N 3.29Å; I102-I112 HydrophobicContact CD1-CD1 3.76Å; I102-I112 HydrophobicContact CD1-CG1 3.48Å; I102-I112 VanDerWaalsContact CD1-CG1 3.48Å; I102-I112 HydrophobicContact CG1-CD1 4.17Å; I102-I112 HydrophobicContact CG1-CG1 3.97Å; I112-K120 HydrophobicContact CG2-CB 4.21Å; I112-F121 CarbonylContact C-O 3.55Å; I112-F121 WeakPolarHBondContact CA-O 3.4Å; I112-V122 HydrophobicContact CG1-CG2 4.42Å
113I90.3Very high78.3Confident0 Ų083.4 Ų83.40%043%0.432CS..EExtended strand (participates in β ladder)trans-98.3147.2173.761.5165.7000111.2A96 R97 V115 K120 F121 V123 V140 V142 I149A96-I113 HydrophobicContact CB-CB 4.11Å; A96-I113 HydrophobicContact CB-CD1 4.07Å; R97-I113 CarbonylContact O-C 3.53Å; R97-I113 WeakPolarHBondContact O-CA 3.48Å; I113-V115 HydrophobicContact CD1-CG2 4.23Å; I113-K120 CarbonylContact O-C 3.51Å; I113-K120 WeakPolarHBondContact O-CA 3.43Å; I113-F121 HydrophobicContact CD1-CB 4.37Å; I113-F121 HydrophobicContact CG1-CB 3.95Å; I113-F121 PolarHBondContact N-O 3.21Å; I113-F121 PolarHBondContact O-N 3.3Å; I113-V123 HydrophobicContact CB-CG2 4.35Å; I113-V123 HydrophobicContact CD1-CB 4.42Å; I113-V123 HydrophobicContact CD1-CG1 3.59Å; I113-V123 HydrophobicContact CD1-CG2 4.02Å; I113-V123 HydrophobicContact CG1-CB 4.48Å; I113-V123 HydrophobicContact CG1-CG1 3.72Å; I113-V123 HydrophobicContact CG1-CG2 3.89Å; I113-V123 HydrophobicContact CG2-CG2 3.64Å; I113-V140 HydrophobicContact CG2-CG2 4.03Å; I113-V142 HydrophobicContact CD1-CB 4.35Å; I113-V142 HydrophobicContact CD1-CG1 3.82Å; I113-V142 HydrophobicContact CD1-CG2 3.82Å; I113-I149 HydrophobicContact CG2-CD1 4.12Å; I113-I149 HydrophobicContact CG2-CG1 4.37Å
114N89.4Confident79.2Confident65 Ų6583 Ų8335%0.34843%0.43SS..EExtended strand (participates in β ladder)trans-113.9116.6171.2-176.77.5000109.6R97 T99 K120R97-N114 PolarHBondContact N-O 3.33Å; R97-N114 PolarHBondContact O-N 2.91Å; T99-N114 HydrophobicContact CG2-CB 3.65Å; N114-K120 HydrophobicContact CB-CG 4.39Å
115V86.4Confident80.4Confident4 Ų481.2 Ų81.22%0.02441%0.41CS..EExtended strand (participates in β ladder)trans-96.6124.5176.4-175.60000108.4Q94 A96 I113 Q117 F118 A119 F121Q94-V115 HydrophobicContact CG-CG1 4.22Å; A96-V115 HydrophobicContact CB-CG2 3.91Å; I113-V115 HydrophobicContact CD1-CG2 4.23Å; V115-Q117 PolarHBondContact O-N 3.34Å; V115-F118 PolarHBondContact O-N 3.18Å; V115-A119 PolarHBondContact N-O 3.27Å; V115-F121 HydrophobicContact CG2-CD2 4.11Å; V115-F121 HydrophobicContact CG2-CE2 4.31Å
116K74.4Confident81.7Confident176 Ų17673.6 Ų73.677%0.76537%0.37SS*.THydrogen-bonded Turntrans-52.2-23.1-171.6-95.6-171.5172.9-169.30116.1
117Q73.7Confident82.5Confident138 Ų13878.4 Ų78.465%0.64539%0.39SS*.THydrogen-bonded Turntrans-101.2-20.8-171.4-74.5175-26.500114.6V115V115-Q117 PolarHBondContact O-N 3.34Å
118F65.6Low83.4Confident147 Ų14776.5 Ų76.565%0.64538%0.381SS*.SBendtrans-138.1-62.6-160.6-61.9-68.1000115.5V115V115-F118 PolarHBondContact O-N 3.18Å
119A76.9Confident84.1Confident43 Ų4371.5 Ų71.536%0.35536%0.355SS..  trans-169.1176.5-171.400000112.9V115 F121V115-A119 PolarHBondContact N-O 3.27Å; A119-F121 HydrophobicContact CB-CE2 3.91Å; A119-F121 HydrophobicContact CB-CZ 3.94Å
120K88.6Confident84.5Confident145 Ų14572.4 Ų72.463%0.6336%0.364SS*.EExtended strand (participates in β ladder)trans-89.4133.7165-62.4179.6-177.1179.90109.3I112 I113 N114I112-K120 HydrophobicContact CG2-CB 4.21Å; I113-K120 CarbonylContact O-C 3.51Å; I113-K120 WeakPolarHBondContact O-CA 3.43Å; N114-K120 HydrophobicContact CB-CG 4.39Å
121F88.1Confident84.4Confident61 Ų6171.3 Ų71.327%0.26837%0.366SS..EExtended strand (participates in β ladder)trans-122.6144.9177.5-63-84.3000110I112 I113 V115 A119 V123 Y147I112-F121 CarbonylContact C-O 3.55Å; I112-F121 WeakPolarHBondContact CA-O 3.4Å; I113-F121 HydrophobicContact CD1-CB 4.37Å; I113-F121 HydrophobicContact CG1-CB 3.95Å; I113-F121 PolarHBondContact N-O 3.21Å; I113-F121 PolarHBondContact O-N 3.3Å; V115-F121 HydrophobicContact CG2-CD2 4.11Å; V115-F121 HydrophobicContact CG2-CE2 4.31Å; A119-F121 HydrophobicContact CB-CE2 3.91Å; A119-F121 HydrophobicContact CB-CZ 3.94Å; F121-V123 HydrophobicContact CB-CG1 3.84Å; F121-Y147 HydrophobicContact CE2-CE1 4.44Å
122V89.1Confident84.3Confident91 Ų9176.9 Ų76.955%0.55240%0.4SS*.EExtended strand (participates in β ladder)trans-92.7123.4166.5-177.30000106.6I102 K110 Y111 I112I102-V122 HydrophobicContact CD1-CG1 4.37Å; I102-V122 HydrophobicContact CD1-CG2 4.48Å; K110-V122 HydrophobicContact CB-CG1 4.04Å; K110-V122 HydrophobicContact CD-CG1 4.23Å; Y111-V122 CarbonylContact O-C 3.58Å; Y111-V122 WeakPolarHBondContact O-CA 3.43Å; I112-V122 HydrophobicContact CG1-CG2 4.42Å
123V88.9Confident84Confident7 Ų779.1 Ų79.14%0.04241%0.413CS..EExtended strand (participates in β ladder)trans-133.6150-170.1-58.10000110.9Y111 I113 F121 Y147 I149Y111-V123 PolarHBondContact N-O 3.06Å; Y111-V123 WeakPolarHBondContact O-CG2 3.43Å; Y111-V123 PolarHBondContact O-N 3.15Å; I113-V123 HydrophobicContact CB-CG2 4.35Å; I113-V123 HydrophobicContact CD1-CB 4.42Å; I113-V123 HydrophobicContact CD1-CG1 3.59Å; I113-V123 HydrophobicContact CD1-CG2 4.02Å; I113-V123 HydrophobicContact CG1-CB 4.48Å; I113-V123 HydrophobicContact CG1-CG1 3.72Å; I113-V123 HydrophobicContact CG1-CG2 3.89Å; I113-V123 HydrophobicContact CG2-CG2 3.64Å; F121-V123 HydrophobicContact CB-CG1 3.84Å; V123-Y147 WeakPolarHBondContact CB-O 3.45Å; V123-Y147 WeakPolarHBondContact CG1-O 3.48Å; V123-I149 HydrophobicContact CG2-CD1 3.95Å; V123-I149 HydrophobicContact CG2-CG1 3.91Å
124D88.1Confident83.8Confident92 Ų9279.4 Ų79.449%0.49241%0.414SS..PPolyproline II helixtrans-92.6161.1174-55-41.5000109.7I149D124-I149 PolarHBondContact O-N 3.03Å
125L86.9Confident83.6Confident35 Ų3583 Ų8318%0.18343%0.429CS..BIsolated β-bridgetrans-80.9147.4177-148.680.4000110Y111 V129 P131 I134 I149Y111-L125 HydrophobicContact CD2-CD1 4.08Å; Y111-L125 HydrophobicContact CE2-CB 4.23Å; Y111-L125 HydrophobicContact CE2-CD1 3.57Å; Y111-L125 HydrophobicContact CE2-CG 4.4Å; L125-V129 HydrophobicContact CD1-CB 4.49Å; L125-V129 HydrophobicContact CD1-CG1 4.28Å; L125-V129 HydrophobicContact CD2-CB 4.12Å; L125-V129 HydrophobicContact CD2-CG1 4.23Å; L125-V129 WeakPolarHBondContact CD2-O 3.42Å; L125-V129 HydrophobicContact CG-CB 4.15Å; L125-V129 HydrophobicContact CG-CG1 4.41Å; L125-P131 HydrophobicContact CD2-CG 4.03Å; L125-I134 HydrophobicContact CD1-CG1 3.84Å; L125-I149 HydrophobicContact CD1-CB 4.06Å; L125-I149 HydrophobicContact CD1-CD1 4.25Å; L125-I149 HydrophobicContact CD1-CG2 4.1Å
126S85.8Confident83.6Confident9 Ų988.1 Ų88.16%0.06345%0.453CS..PPolyproline II helixtrans-82.9159.3168.871.30000111.5Q128 V129 I149 H150S126-Q128 PolarHBondContact O-N 2.88Å; S126-V129 PolarHBondContact O-N 3.39Å; S126-I149 WeakPolarHBondContact CB-O 3.43Å; S126-I149 PolarHBondContact N-O 3.03Å; S126-I149 PolarHBondContact OG-O 3.1Å; S126-H150 WeakPolarHBondContact OG-CA 3.15Å
127D83.7Confident84Confident172 Ų17281.8 Ų81.892%0.9244%0.437SS*.THydrogen-bonded Turntrans-59.7-13.4179.5-55.4-31.5000114.4
128Q82.4Confident84.6Confident151 Ų15177.6 Ų77.671%0.70642%0.418SS*.THydrogen-bonded Turntrans-87.2-13-176.6-63.2-65.9-28.200113.7S126S126-Q128 PolarHBondContact O-N 2.88Å
129V84.8Confident85.6Confident15 Ų1573.6 Ų73.69%0.09140%0.399CS..SBendtrans-121.1140.7-173.8-176.90000109.1L125 S126 D133 I134 H150L125-V129 HydrophobicContact CD1-CB 4.49Å; L125-V129 HydrophobicContact CD1-CG1 4.28Å; L125-V129 HydrophobicContact CD2-CB 4.12Å; L125-V129 HydrophobicContact CD2-CG1 4.23Å; L125-V129 WeakPolarHBondContact CD2-O 3.42Å; L125-V129 HydrophobicContact CG-CB 4.15Å; L125-V129 HydrophobicContact CG-CG1 4.41Å; S126-V129 PolarHBondContact O-N 3.39Å; V129-D133 HydrophobicContact CG1-CB 4.4Å; V129-I134 HydrophobicContact CG1-CD1 3.9Å; V129-I134 HydrophobicContact CG1-CG1 4.02Å; V129-H150 WeakPolarHBondContact CG2-O 3.39Å
130A86.1Confident86.2Confident38 Ų3871.6 Ų71.631%0.31438%0.382SS..  trans-87.9145.317200000110.7T132 D133A130-T132 PolarHBondContact O-N 3.01Å; A130-T132 VanDerWaalsContact O-N 3.12Å; A130-D133 PolarHBondContact O-N 2.9Å
131P84.6Confident86.3Confident66 Ų6664.7 Ų64.743%0.42935%0.352SS..G310 helixtrans-56.4-26.8174.6-2835.5000114.5P109 Y111 L125 D133P109-P131 HydrophobicContact CG-CB 3.77Å; P109-P131 HydrophobicContact CG-CG 3.78Å; Y111-P131 WeakPolarHBondContact OH-CA 3.2Å; Y111-P131 WeakPolarHBondContact OH-CB 3.35Å; L125-P131 HydrophobicContact CD2-CG 4.03Å; P131-D133 PolarHBondContact O-N 3.47Å
132T85.4Confident86.3Confident120 Ų12061.9 Ų61.974%0.73634%0.34SS*.G310 helixtrans-67.8-22178.350.20000113.7A130 I134A130-T132 PolarHBondContact O-N 3.01Å; A130-T132 VanDerWaalsContact O-N 3.12Å; T132-I134 VanDerWaalsContact C-N 3.34Å
133D85.5Confident86.2Confident86 Ų8658.1 Ų58.146%0.4632%0.317SS..G310 helixtrans-89.4-6.4-172.8-57.1-19.4000112.2V129 A130 P131V129-D133 HydrophobicContact CG1-CB 4.4Å; A130-D133 PolarHBondContact O-N 2.9Å; P131-D133 PolarHBondContact O-N 3.47Å
134I86.2Confident85.9Confident6 Ų664.6 Ų64.63%0.03134%0.34CS..  trans-107.1114.9-177.6-57.1-53.7000110.4C98 I101 Y111 L125 V129 T132 V140 I149 P152C98-I134 HydrophobicContact CB-CG2 4.38Å; I101-I134 WeakPolarHBondContact CD1-O 3.11Å; Y111-I134 HydrophobicContact CD1-CG2 3.73Å; Y111-I134 HydrophobicContact CE1-CB 3.86Å; Y111-I134 HydrophobicContact CE1-CG2 3.56Å; L125-I134 HydrophobicContact CD1-CG1 3.84Å; V129-I134 HydrophobicContact CG1-CD1 3.9Å; V129-I134 HydrophobicContact CG1-CG1 4.02Å; T132-I134 VanDerWaalsContact C-N 3.34Å; I134-V140 HydrophobicContact CD1-CG1 3.87Å; I134-I149 HydrophobicContact CD1-CG2 4.11Å; I134-P152 HydrophobicContact CD1-CB 3.92Å; I134-P152 HydrophobicContact CD1-CG 4.47Å
135E85.7Confident85.6Confident140 Ų14066.5 Ų66.565%0.65435%0.351SS*.  trans-101.8157.5173.7-63.6-175.2170.300112.5G137 M138E135-G137 PolarHBondContact O-N 3.03Å; E135-M138 HydrophobicContact CB-CB 4.5Å; E135-M138 VanDerWaalsContact O-CB 3.26Å; E135-M138 WeakPolarHBondContact O-CB 2.87Å; E135-M138 PolarHBondContact O-N 2.82Å
136E85.1Confident85.5Confident113 Ų11372.4 Ų72.453%0.52838%0.375SS..THydrogen-bonded Turntrans-64.1130.4171.6-66.7-166.215700110.7K100 I101 M138K100-E136 WeakPolarHBondContact CG-OE1 3.4Å; I101-E136 HydrophobicContact CD1-CG 3.93Å; I101-E136 HydrophobicContact CG1-CG 3.81Å; I101-E136 PolarHBondContact N-OE1 3.11Å; E136-M138 VanDerWaalsContact C-N 3.32Å
137G82.9Confident85.5Confident42 Ų4275.1 Ų75.143%0.43338%0.384SS..THydrogen-bonded Turntrans88.6-9.1-17700000114.7C98 E135C98-G137 WeakPolarHBondContact O-CA 3.41Å; C98-G137 PolarHBondContact O-N 3.32Å; E135-G137 PolarHBondContact O-N 3.03Å
138M85.4Confident85.7Confident51 Ų5169.9 Ų69.925%0.25135%0.354SS..  trans-67.1149.2179.3-160175.6-166.200112R97 C98 E135 E136 P152R97-M138 WeakPolarHBondContact CA-O 3.44Å; C98-M138 PolarHBondContact N-O 3.35Å; E135-M138 HydrophobicContact CB-CB 4.5Å; E135-M138 VanDerWaalsContact O-CB 3.26Å; E135-M138 WeakPolarHBondContact O-CB 2.87Å; E135-M138 PolarHBondContact O-N 2.82Å; E136-M138 VanDerWaalsContact C-N 3.32Å; M138-P152 HydrophobicContact CE-CB 3.64Å; M138-P152 HydrophobicContact SD-CB 3.9Å
139R87.3Confident86Confident63 Ų6362.7 Ų62.724%0.23832%0.321CS..EExtended strand (participates in β ladder)trans-82.8140170.5-71.8-177.6121.1-172.1-6.4109A96 L153A96-R139 WeakPolarHBondContact O-CA 3.32Å; R139-L153 HydrophobicContact CB-CB 3.87Å; R139-L153 WeakPolarHBondContact O-CA 3.38Å; R139-L153 PolarHBondContact O-N 3.1Å
140V89.8Confident86.1Confident0 Ų065.8 Ų65.80%033%0.334CS..EExtended strand (participates in β ladder)trans-134.6140.6-179.5-70.70000109.9A96 I113 I134 V142 I149 I151A96-V140 HydrophobicContact CB-CG2 4.24Å; A96-V140 PolarHBondContact N-O 3.43Å; A96-V140 PolarHBondContact O-N 2.95Å; I113-V140 HydrophobicContact CG2-CG2 4.03Å; I134-V140 HydrophobicContact CD1-CG1 3.87Å; V140-V142 HydrophobicContact CB-CG2 4.46Å; V140-V142 HydrophobicContact CG2-CG2 3.86Å; V140-I149 HydrophobicContact CB-CG1 4.45Å; V140-I149 HydrophobicContact CB-CG2 3.97Å; V140-I149 HydrophobicContact CG1-CG2 3.94Å; V140-I149 HydrophobicContact CG2-CD1 4.38Å; V140-I149 HydrophobicContact CG2-CG1 4.23Å; V140-I151 CarbonylContact C-O 3.59Å; V140-I151 WeakPolarHBondContact CA-O 3.29Å
141G89.9Confident86.2Confident1 Ų167.6 Ų67.61%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-82.7121.4169.200000109H150 I151G141-H150 PolarHBondContact O-N 2.94Å; G141-I151 PolarHBondContact N-O 3.34Å; G141-I151 PolarHBondContact O-N 3.04Å
142V89.1Confident86.4Confident1 Ų166.3 Ų66.31%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-120.9139.7-172.2174.90000109.3Q94 A96 I113 V140 Y147 Q148 I149Q94-V142 PolarHBondContact N-O 3.29Å; Q94-V142 PolarHBondContact O-N 3.13Å; A96-V142 HydrophobicContact CB-CB 4.41Å; A96-V142 HydrophobicContact CB-CG2 3.76Å; I113-V142 HydrophobicContact CD1-CB 4.35Å; I113-V142 HydrophobicContact CD1-CG1 3.82Å; I113-V142 HydrophobicContact CD1-CG2 3.82Å; V140-V142 HydrophobicContact CB-CG2 4.46Å; V140-V142 HydrophobicContact CG2-CG2 3.86Å; V142-Y147 HydrophobicContact CG1-CD1 3.98Å; V142-Y147 HydrophobicContact CG1-CG 4.45Å; V142-Y147 VanDerWaalsContact CG1-O 3.26Å; V142-Y147 WeakPolarHBondContact CG1-O 3.13Å; V142-Q148 WeakPolarHBondContact CA-O 3.31Å; V142-I149 HydrophobicContact CG2-CG1 4.29Å
143D87.3Confident86.4Confident13 Ų1362.8 Ų62.87%0.0731%0.306CS..  trans-66.2143.5174.5178.930.5000111.5N145 K146 Y147 Q148D143-N145 VanDerWaalsContact C-N 3.31Å; D143-N145 PolarHBondContact O-N 3.44Å; D143-N145 PolarHBondContact OD2-N 3.39Å; D143-K146 PolarHBondContact OD2-N 3.29Å; D143-K146 VanDerWaalsContact OD2-N 3.14Å; D143-Y147 VanDerWaalsContact O-CA 3.26Å; D143-Y147 WeakPolarHBondContact O-CA 3.4Å; D143-Y147 PolarHBondContact O-N 2.8Å; D143-Y147 VanDerWaalsContact O-N 3.16Å; D143-Q148 HydrophobicContact CB-CG 4.13Å; D143-Q148 PolarHBondContact N-O 2.71Å; D143-Q148 VanDerWaalsContact N-O 3.15Å
144R82.3Confident86.2Confident142 Ų14263.4 Ų63.454%0.53631%0.314SS..THydrogen-bonded Turntrans-69.3-28.5-179.5-68.3-177.9-176.5-154.8-1.5113.2P92 Q94P92-R144 PolarHBondContact O-NE 3.26Å; Q94-R144 HydrophobicContact CB-CG 4.23Å
145N82.5Confident85.5Confident133 Ų13366.5 Ų66.571%0.71134%0.335SS*.THydrogen-bonded Turntrans-94.3-54-172.9-65.9-22.9000111.8D143D143-N145 VanDerWaalsContact C-N 3.31Å; D143-N145 PolarHBondContact O-N 3.44Å; D143-N145 PolarHBondContact OD2-N 3.39Å
146K82.9Confident84.7Confident159 Ų15963.2 Ų63.269%0.69132%0.318SS*.THydrogen-bonded Turntrans-93.3-10-175.6-68.6-175.8179.9-179.30114.2D143 Q148D143-K146 PolarHBondContact OD2-N 3.29Å; D143-K146 VanDerWaalsContact OD2-N 3.14Å; K146-Q148 HydrophobicContact CB-CG 4.36Å; K146-Q148 PolarHBondContact O-N 3.35Å; K146-Q148 VanDerWaalsContact O-N 3.09Å
147Y85.8Confident83.9Confident65 Ų6560.7 Ų60.726%0.25531%0.308SS..  trans53.922.2-174-61.8-76.6000115.2F121 V123 V142 D143F121-Y147 HydrophobicContact CE2-CE1 4.44Å; V123-Y147 WeakPolarHBondContact CB-O 3.45Å; V123-Y147 WeakPolarHBondContact CG1-O 3.48Å; V142-Y147 HydrophobicContact CG1-CD1 3.98Å; V142-Y147 HydrophobicContact CG1-CG 4.45Å; V142-Y147 VanDerWaalsContact CG1-O 3.26Å; V142-Y147 WeakPolarHBondContact CG1-O 3.13Å; D143-Y147 VanDerWaalsContact O-CA 3.26Å; D143-Y147 WeakPolarHBondContact O-CA 3.4Å; D143-Y147 PolarHBondContact O-N 2.8Å; D143-Y147 VanDerWaalsContact O-N 3.16Å
148Q88.3Confident83.2Confident62 Ų6259.1 Ų59.129%0.2929%0.29SS..  trans-74.4144.9174.465.3-173.116.100111.7V142 D143 K146 H150V142-Q148 WeakPolarHBondContact CA-O 3.31Å; D143-Q148 HydrophobicContact CB-CG 4.13Å; D143-Q148 PolarHBondContact N-O 2.71Å; D143-Q148 VanDerWaalsContact N-O 3.15Å; K146-Q148 HydrophobicContact CB-CG 4.36Å; K146-Q148 PolarHBondContact O-N 3.35Å; K146-Q148 VanDerWaalsContact O-N 3.09Å; Q148-H150 PolarHBondContact O-N 2.91Å
149I88.5Confident82.4Confident0 Ų060.8 Ų60.80%030%0.304CS..EExtended strand (participates in β ladder)trans-76.2117.5176.8-64.4172.1000109.4Y111 I113 V123 D124 L125 S126 I134 V140 V142Y111-I149 HydrophobicContact CD1-CD1 4.45Å; Y111-I149 HydrophobicContact CD2-CD1 4.03Å; Y111-I149 HydrophobicContact CG-CD1 3.81Å; I113-I149 HydrophobicContact CG2-CD1 4.12Å; I113-I149 HydrophobicContact CG2-CG1 4.37Å; V123-I149 HydrophobicContact CG2-CD1 3.95Å; V123-I149 HydrophobicContact CG2-CG1 3.91Å; D124-I149 PolarHBondContact O-N 3.03Å; L125-I149 HydrophobicContact CD1-CB 4.06Å; L125-I149 HydrophobicContact CD1-CD1 4.25Å; L125-I149 HydrophobicContact CD1-CG2 4.1Å; S126-I149 WeakPolarHBondContact CB-O 3.43Å; S126-I149 PolarHBondContact N-O 3.03Å; S126-I149 PolarHBondContact OG-O 3.1Å; I134-I149 HydrophobicContact CD1-CG2 4.11Å; V140-I149 HydrophobicContact CB-CG1 4.45Å; V140-I149 HydrophobicContact CB-CG2 3.97Å; V140-I149 HydrophobicContact CG1-CG2 3.94Å; V140-I149 HydrophobicContact CG2-CD1 4.38Å; V140-I149 HydrophobicContact CG2-CG1 4.23Å; V142-I149 HydrophobicContact CG2-CG1 4.29Å
150H87.4Confident81.6Confident80 Ų8061.2 Ų61.237%0.3731%0.314SS..EExtended strand (participates in β ladder)trans-103.5-35.9-177-162.2-64.7000113.7L93 S126 V129 G141 Q148L93-H150 HydrophobicContact CD1-CB 4.32Å; L93-H150 HydrophobicContact CD2-CB 3.77Å; S126-H150 WeakPolarHBondContact OG-CA 3.15Å; V129-H150 WeakPolarHBondContact CG2-O 3.39Å; G141-H150 PolarHBondContact O-N 2.94Å; Q148-H150 PolarHBondContact O-N 2.91Å
151I88.3Confident80.5Confident76 Ų7661.2 Ų61.239%0.3931%0.314SS..EExtended strand (participates in β ladder)trans-149.4133.3-179.3-165.1170.4000110.8L93 V140 G141 L153L93-I151 HydrophobicContact CD1-CG2 3.74Å; V140-I151 CarbonylContact C-O 3.59Å; V140-I151 WeakPolarHBondContact CA-O 3.29Å; G141-I151 PolarHBondContact N-O 3.34Å; G141-I151 PolarHBondContact O-N 3.04Å; I151-L153 HydrophobicContact CG2-CD2 4.1Å; I151-L153 HydrophobicContact CG2-CG 4.43Å; I151-L153 PolarHBondContact O-N 2.89Å
152P88.4Confident79.5Confident39 Ų3963.9 Ų63.925%0.25333%0.33SS..EExtended strand (participates in β ladder)trans-67.2128.4165.125.5-30.1000109.6I134 M138I134-P152 HydrophobicContact CD1-CB 3.92Å; I134-P152 HydrophobicContact CD1-CG 4.47Å; M138-P152 HydrophobicContact CE-CB 3.64Å; M138-P152 HydrophobicContact SD-CB 3.9Å
153L86.4Confident78.4Confident47 Ų4771.8 Ų71.825%0.24637%0.369CS..EExtended strand (participates in β ladder)trans-99.8143.6174.5-65.1171000108.9V95 R139 I151V95-L153 HydrophobicContact CB-CD1 4.41Å; V95-L153 HydrophobicContact CG1-CD1 4Å; V95-L153 HydrophobicContact CG2-CD1 3.91Å; R139-L153 HydrophobicContact CB-CB 3.87Å; R139-L153 WeakPolarHBondContact O-CA 3.38Å; R139-L153 PolarHBondContact O-N 3.1Å; I151-L153 HydrophobicContact CG2-CD2 4.1Å; I151-L153 HydrophobicContact CG2-CG 4.43Å; I151-L153 PolarHBondContact O-N 2.89Å
154P80Confident77.5Confident98 Ų9872.5 Ų72.564%0.63637%0.372SS*.PPolyproline II helixtrans-51.8150.2171.6-26.234.2000111.9
155P73Confident76.6Confident71 Ų7168.1 Ų68.146%0.46136%0.358SS..PPolyproline II helixtrans-55.6153.4178.323.9-33.5000111I157P155-I157 PolarHBondContact O-N 3.23Å
156K68.6Low75.6Confident71 Ų7164.2 Ų64.231%0.30934%0.339SS..  trans-70.8101.9177.2-172.6173-178.4-90.50107.2D158K156-D158 IonicContact NZ-OD1 2.62Å; K156-D158 PolarHBondContact NZ-OD1 2.74Å
157I67Low74.3Confident60 Ų6065 Ų6531%0.30835%0.345SS..  trans-85.1126.6162.1-51.1173.8000105.6P155 V161 T162 M263P155-I157 PolarHBondContact O-N 3.23Å; I157-V161 HydrophobicContact CG2-CB 4.49Å; I157-T162 HydrophobicContact CB-CG2 4.2Å; I157-T162 HydrophobicContact CG2-CG2 3.6Å; I157-M263 HydrophobicContact CD1-CB 4.44Å; I157-M263 HydrophobicContact CD1-CG 4.29Å; I157-M263 HydrophobicContact CG2-CB 4.34Å; I157-M263 HydrophobicContact CG2-CG 4.42Å; I157-M263 HydrophobicContact CG2-SD 3.94Å
158D69.3Low72.9Confident10 Ų1069.9 Ų69.95%0.05337%0.37CS..  trans-61.8133.2174.4-82.4-26.1000109.6K156 T160 V161 T162 R255 E259K156-D158 IonicContact NZ-OD1 2.62Å; K156-D158 PolarHBondContact NZ-OD1 2.74Å; D158-T160 PolarHBondContact O-N 3.26Å; D158-T160 VanDerWaalsContact O-N 3.11Å; D158-V161 HydrophobicContact CB-CG2 4.36Å; D158-V161 PolarHBondContact O-N 3.03Å; D158-T162 PolarHBondContact O-N 3.11Å; D158-R255 IonicContact OD2-CZ 3.25Å; D158-R255 VanDerWaalsContact OD2-CZ 3.25Å; D158-R255 IonicContact OD2-NE 2.98Å; D158-R255 PolarHBondContact OD2-NE 2.95Å; D158-R255 IonicContact OD2-NH2 2.75Å; D158-R255 PolarHBondContact OD2-NH2 3.41Å; D158-E259 WeakPolarHBondContact CA-OE2 3.34Å; D158-E259 WeakPolarHBondContact CB-OE2 3.43Å; D158-E259 PolarHBondContact N-OE2 3.13Å
159P67.8Low71.9Confident86 Ų8672.9 Ų72.956%0.55838%0.382SS*.Hα-helixtrans-63.1-22.3-177.125-33.8000112.3V161 T162 M163P159-V161 VanDerWaalsContact C-N 3.34Å; P159-T162 VanDerWaalsContact CA-OG1 3.24Å; P159-T162 WeakPolarHBondContact CA-OG1 3.45Å; P159-T162 PolarHBondContact O-N 3.03Å; P159-T162 PolarHBondContact O-OG1 3.43Å; P159-M163 WeakPolarHBondContact O-CB 3.4Å; P159-M163 WeakPolarHBondContact O-CG 3.38Å; P159-M163 PolarHBondContact O-N 3.08Å
160T70.3Confident70.9Confident71 Ų7173.4 Ų73.444%0.43639%0.385SS..Hα-helixtrans-62.6-40.817349.10000111.6D158 M163 M164D158-T160 PolarHBondContact O-N 3.26Å; D158-T160 VanDerWaalsContact O-N 3.11Å; T160-M163 PolarHBondContact O-N 3.02Å; T160-M164 WeakPolarHBondContact O-CG 3.49Å; T160-M164 PolarHBondContact O-N 3.33Å
161V68.4Low70.5Confident0 Ų076.6 Ų76.60%041%0.405CS..Hα-helixtrans-72.8-38.1178.6-1780000110.8I157 D158 P159 M163 M164 Q165 M256 E259 L260 M263I157-V161 HydrophobicContact CG2-CB 4.49Å; D158-V161 HydrophobicContact CB-CG2 4.36Å; D158-V161 PolarHBondContact O-N 3.03Å; P159-V161 VanDerWaalsContact C-N 3.34Å; V161-M163 VanDerWaalsContact C-N 3.29Å; V161-M163 PolarHBondContact O-N 3.36Å; V161-M164 WeakPolarHBondContact O-CB 3.31Å; V161-M164 PolarHBondContact O-N 3.25Å; V161-M164 VanDerWaalsContact O-N 3.12Å; V161-Q165 PolarHBondContact O-N 2.94Å; V161-M256 HydrophobicContact CG2-CG 3.65Å; V161-E259 HydrophobicContact CG2-CB 4.34Å; V161-L260 HydrophobicContact CG1-CB 4Å; V161-L260 HydrophobicContact CG1-CD1 4.15Å; V161-M263 HydrophobicContact CG1-SD 3.98Å
162T67.7Low70.3Confident57 Ų5774 Ų7435%0.3539%0.393SS..Hα-helixtrans-65.9-33.2175.154.70000112.4I157 D158 P159 M164 Q165 M263I157-T162 HydrophobicContact CB-CG2 4.2Å; I157-T162 HydrophobicContact CG2-CG2 3.6Å; D158-T162 PolarHBondContact O-N 3.11Å; P159-T162 VanDerWaalsContact CA-OG1 3.24Å; P159-T162 WeakPolarHBondContact CA-OG1 3.45Å; P159-T162 PolarHBondContact O-N 3.03Å; P159-T162 PolarHBondContact O-OG1 3.43Å; T162-M164 VanDerWaalsContact C-N 3.25Å; T162-M164 PolarHBondContact O-N 3.24Å; T162-Q165 WeakPolarHBondContact O-CB 3.26Å; T162-Q165 PolarHBondContact O-N 3.05Å; T162-Q165 VanDerWaalsContact O-N 3.15Å; T162-M263 HydrophobicContact CG2-CE 4.02Å; T162-M263 HydrophobicContact CG2-SD 4.1Å
163M65.8Low70.3Confident168 Ų16874.6 Ų74.683%0.82840%0.396SS*.Hα-helixtrans-69-22.7173.9-70.1-76.2-120.900113P159 T160 V161 Q165P159-M163 WeakPolarHBondContact O-CB 3.4Å; P159-M163 WeakPolarHBondContact O-CG 3.38Å; P159-M163 PolarHBondContact O-N 3.08Å; T160-M163 PolarHBondContact O-N 3.02Å; V161-M163 VanDerWaalsContact C-N 3.29Å; V161-M163 PolarHBondContact O-N 3.36Å; M163-Q165 VanDerWaalsContact C-N 3.26Å
164M68.3Low70.3Confident28 Ų2874.6 Ų74.614%0.13839%0.393CS..THydrogen-bonded Turntrans-77.8-12.8172.9-65.3172.517900112.6T160 V161 T162 V166 E244 M256T160-M164 WeakPolarHBondContact O-CG 3.49Å; T160-M164 PolarHBondContact O-N 3.33Å; V161-M164 WeakPolarHBondContact O-CB 3.31Å; V161-M164 PolarHBondContact O-N 3.25Å; V161-M164 VanDerWaalsContact O-N 3.12Å; T162-M164 VanDerWaalsContact C-N 3.25Å; T162-M164 PolarHBondContact O-N 3.24Å; M164-V166 PolarHBondContact O-N 3.47Å; M164-E244 HydrophobicContact CE-CB 3.94Å; M164-M256 HydrophobicContact CE-CE 4.42Å; M164-M256 HydrophobicContact CE-SD 3.6Å; M164-M256 VanDerWaalsContact CE-SD 3.6Å; M164-M256 HydrophobicContact SD-SD 4.1Å
165Q64.4Low70.6Confident50 Ų5073.6 Ų73.623%0.23439%0.388CS..EExtended strand (participates in β ladder)trans-67.3120.2169-177.1-178.4-23.900108.6V161 T162 M163 E167 M263V161-Q165 PolarHBondContact O-N 2.94Å; T162-Q165 WeakPolarHBondContact O-CB 3.26Å; T162-Q165 PolarHBondContact O-N 3.05Å; T162-Q165 VanDerWaalsContact O-N 3.15Å; M163-Q165 VanDerWaalsContact C-N 3.26Å; Q165-E167 PolarHBondContact O-N 2.95Å; Q165-E167 VanDerWaalsContact O-N 3.11Å; Q165-M263 HydrophobicContact CB-CE 3.96Å; Q165-M263 HydrophobicContact CG-CE 4.36Å
166V61.3Low71.2Confident51 Ų5173.7 Ų73.731%0.30939%0.385SS..EExtended strand (participates in β ladder)trans-78.8100.7169.8-170.80000106M164 E168 F237 R239M164-V166 PolarHBondContact O-N 3.47Å; V166-E168 VanDerWaalsContact C-N 3.28Å; V166-E168 VanDerWaalsContact CG1-O 3.27Å; V166-E168 WeakPolarHBondContact CG1-O 3.49Å; V166-F237 HydrophobicContact CB-CD1 4.12Å; V166-F237 HydrophobicContact CG2-CD1 4.11Å; V166-F237 HydrophobicContact CG2-CE1 4.42Å; V166-F237 PolarHBondContact N-O 2.83Å; V166-R239 HydrophobicContact CG2-CB 3.62Å
167E54.9Low72.1Confident176 Ų17670.9 Ų70.982%0.82237%0.373SS*.  trans-72.2-24.5-176.9-143.9168.4-164.900112Q165Q165-E167 PolarHBondContact O-N 2.95Å; Q165-E167 VanDerWaalsContact O-N 3.11Å
168E57.8Low72.9Confident167 Ų16768.5 Ų68.578%0.7836%0.364SS*.SBendtrans-101.5131.5178.2-69.7-169.2150.700113.2V166V166-E168 VanDerWaalsContact C-N 3.28Å; V166-E168 VanDerWaalsContact CG1-O 3.27Å; V166-E168 WeakPolarHBondContact CG1-O 3.49Å
169K65.7Low73.4Confident124 Ų12469.2 Ų69.254%0.53937%0.373SS..PPolyproline II helixtrans-54.5127.1173.6-62.1-179.6-175.3-175.30109.1D171 D234K169-D171 PolarHBondContact O-N 3.15Å; K169-D234 WeakPolarHBondContact CE-OD1 3.34Å; K169-D234 IonicContact NZ-OD1 3.68Å; K169-D234 PolarHBondContact NZ-OD1 2.83Å
170P69Low74.1Confident11 Ų1165.5 Ų65.57%0.07135%0.35CS..PPolyproline II helixtrans-66.1129.5176.325.3-32.3000110.4V172 R227 A230 N231P170-V172 PolarHBondContact O-N 2.78Å; P170-R227 HydrophobicContact CB-CB 4Å; P170-R227 HydrophobicContact CB-CG 4.22Å; P170-R227 HydrophobicContact CG-CB 4.12Å; P170-R227 HydrophobicContact CG-CG 4.49Å; P170-R227 VanDerWaalsContact CG-O 3.3Å; P170-R227 WeakPolarHBondContact CG-O 3.32Å; P170-A230 HydrophobicContact CG-CB 3.84Å; P170-N231 VanDerWaalsContact O-CB 3.26Å; P170-N231 WeakPolarHBondContact O-CB 3.24Å; P170-N231 PolarHBondContact O-ND2 3.36Å
171D78.9Confident74.9Confident148 Ų14870.1 Ų70.179%0.79136%0.364SS*.  trans-65.20.5-178.6-62.7-39.4000115.7K169K169-D171 PolarHBondContact O-N 3.15Å
172V84.1Confident75.8Confident22 Ų2276.6 Ų76.613%0.13339%0.394CS..  trans-79132.1-175.8-1760000109.5P170 D176 L224 R227 A228 N231P170-V172 PolarHBondContact O-N 2.78Å; V172-D176 HydrophobicContact CG1-CB 4.22Å; V172-L224 HydrophobicContact CG1-CD2 4.42Å; V172-R227 HydrophobicContact CB-CB 4.16Å; V172-R227 HydrophobicContact CG2-CB 4.3Å; V172-A228 HydrophobicContact CG1-CB 4.41Å; V172-A228 WeakPolarHBondContact O-CA 3.15Å; V172-N231 WeakPolarHBondContact O-CB 3.44Å; V172-N231 PolarHBondContact O-ND2 3.42Å
173T87Confident76.9Confident50 Ų5075.2 Ų75.231%0.30738%0.384SS..  trans-109.9163.8179.463.50000111.5S175 D176T173-S175 PolarHBondContact O-N 3.18Å; T173-S175 PolarHBondContact OG1-OG 3.01Å; T173-D176 PolarHBondContact N-OD2 2.89Å; T173-D176 WeakPolarHBondContact O-CB 3.3Å; T173-D176 PolarHBondContact O-N 3Å; T173-D176 PolarHBondContact OG1-OD2 2.69Å
174Y87.2Confident78Confident48 Ų4868.2 Ų68.219%0.18835%0.349CS..G310 helixtrans-61.1-26.2173.3-75.3-64.5000113.3D176 V177 I184 R188 A228 V229 R232Y174-D176 PolarHBondContact O-N 3.14Å; Y174-V177 PolarHBondContact O-N 3.21Å; Y174-V177 VanDerWaalsContact O-N 3.13Å; Y174-I184 HydrophobicContact CD1-CG2 3.74Å; Y174-I184 HydrophobicContact CE1-CG2 3.76Å; Y174-R188 HydrophobicContact CE1-CG 4.46Å; Y174-A228 HydrophobicContact CD1-CB 3.89Å; Y174-A228 HydrophobicContact CE1-CB 4.07Å; Y174-A228 HydrophobicContact CG-CB 4.33Å; Y174-V229 HydrophobicContact CE1-CG2 4.16Å; Y174-V229 WeakPolarHBondContact OH-CA 3.42Å; Y174-V229 WeakPolarHBondContact OH-CG2 3.39Å; Y174-R232 HydrophobicContact CD2-CB 4.4Å; Y174-R232 HydrophobicContact CE2-CB 3.7Å; Y174-R232 HydrophobicContact CE2-CG 3.87Å
175S86.2Confident79Confident76 Ų7671.1 Ų71.153%0.53136%0.362SS..G310 helixtrans-63.5-22.117425.20000113.5T173 V177 I357T173-S175 PolarHBondContact O-N 3.18Å; T173-S175 PolarHBondContact OG1-OG 3.01Å; S175-V177 VanDerWaalsContact C-N 3.33Å; S175-I357 WeakPolarHBondContact O-CD1 3.35Å
176D85.9Confident80.3Confident73 Ų7373.9 Ų73.939%0.3937%0.374SS..G310 helixtrans-85.7-9.5178.7-54.2-48.7000112.3V172 T173 Y174V172-D176 HydrophobicContact CG1-CB 4.22Å; T173-D176 PolarHBondContact N-OD2 2.89Å; T173-D176 WeakPolarHBondContact O-CB 3.3Å; T173-D176 PolarHBondContact O-N 3Å; T173-D176 PolarHBondContact OG1-OD2 2.69Å; Y174-D176 PolarHBondContact O-N 3.14Å
177V86.4Confident81.7Confident12 Ų1271.4 Ų71.47%0.07336%0.359CS..  trans-95112.2177.5-171.60000109.4Y174 S175 I184 C225 A228Y174-V177 PolarHBondContact O-N 3.21Å; Y174-V177 VanDerWaalsContact O-N 3.13Å; S175-V177 VanDerWaalsContact C-N 3.33Å; V177-I184 HydrophobicContact CB-CD1 3.95Å; V177-I184 HydrophobicContact CG1-CD1 3.66Å; V177-I184 HydrophobicContact CG1-CG1 4.23Å; V177-C225 VanDerWaalsContact CG1-SG 3.52Å; V177-A228 HydrophobicContact CG2-CB 4.09Å
178G84.7Confident83.3Confident10 Ų1067 Ų6710%0.10334%0.335CS..  trans-101145.1-179.200000114.2C180 H353G178-C180 VanDerWaalsContact C-N 3.31Å; G178-C180 PolarHBondContact O-N 2.93Å; G178-H353 WeakPolarHBondContact CA-ND1 3.37Å
179G80.1Confident84.7Confident25 Ų2563.9 Ų63.926%0.25832%0.32SS..SBendtrans76.22.3165.500000117.3G350G179-G350 VanDerWaalsContact CA-CA 3.44Å
180C82.6Confident85.8Confident9 Ų958.2 Ų58.26%0.06130%0.296CS..  trans-119.247.6-174.6-57.40000112.8G178 E182 Q183 I184 F343G178-C180 VanDerWaalsContact C-N 3.31Å; G178-C180 PolarHBondContact O-N 2.93Å; C180-E182 PolarHBondContact O-N 3.15Å; C180-Q183 HydrophobicContact CB-CB 4.23Å; C180-Q183 PolarHBondContact O-N 2.99Å; C180-Q183 PolarHBondContact O-OE1 3.49Å; C180-I184 HydrophobicContact CB-CD1 4.37Å; C180-I184 HydrophobicContact CB-CG1 4.42Å; C180-I184 WeakPolarHBondContact O-CB 3.3Å; C180-I184 VanDerWaalsContact O-CD1 3.29Å; C180-I184 WeakPolarHBondContact O-CD1 3.49Å; C180-I184 WeakPolarHBondContact O-CG1 3.48Å; C180-I184 PolarHBondContact O-N 2.84Å; C180-F343 HydrophobicContact CB-CE1 4.32Å
181K85.6Confident86.6Confident168 Ų16857.8 Ų57.873%0.7329%0.293SS*.Hα-helixtrans-62-47.6-170.4-69.6-179-177.9172.10112.9I184 E185K181-I184 PolarHBondContact O-N 3.31Å; K181-E185 PolarHBondContact O-N 3.21Å
182E89Confident87Confident135 Ų13551.4 Ų51.463%0.63126%0.258SS*.Hα-helixtrans-67.6-38.9-179.1-63.7-172.4176.900112.1C180 E185 K186C180-E182 PolarHBondContact O-N 3.15Å; E182-E185 PolarHBondContact O-N 3.32Å; E182-K186 WeakPolarHBondContact O-CG 3.36Å; E182-K186 PolarHBondContact O-N 3.09Å
183Q90.1Very high87.2Confident29 Ų2952.3 Ų52.314%0.13626%0.264CS..Hα-helixtrans-66.3-42.1178.1-61.9802.200110.9C180 L187 I341 E342 F343C180-Q183 HydrophobicContact CB-CB 4.23Å; C180-Q183 PolarHBondContact O-N 2.99Å; C180-Q183 PolarHBondContact O-OE1 3.49Å; Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 3.22Å; Q183-I341 HydrophobicContact CB-CG2 3.75Å; Q183-I341 HydrophobicContact CG-CG2 3.94Å; Q183-E342 VanDerWaalsContact CG-O 3.28Å; Q183-E342 WeakPolarHBondContact CG-O 3.47Å; Q183-F343 HydrophobicContact CB-CE1 4.17Å; Q183-F343 HydrophobicContact CB-CZ 4.29Å
184I88.9Confident87.2Confident21 Ų2150.4 Ų50.411%0.10825%0.252CS..Hα-helixtrans-62.3-45.4174.9-69162.9000110.1Y174 V177 C180 K181 K186 L187 R188Y174-I184 HydrophobicContact CD1-CG2 3.74Å; Y174-I184 HydrophobicContact CE1-CG2 3.76Å; V177-I184 HydrophobicContact CB-CD1 3.95Å; V177-I184 HydrophobicContact CG1-CD1 3.66Å; V177-I184 HydrophobicContact CG1-CG1 4.23Å; C180-I184 HydrophobicContact CB-CD1 4.37Å; C180-I184 HydrophobicContact CB-CG1 4.42Å; C180-I184 WeakPolarHBondContact O-CB 3.3Å; C180-I184 VanDerWaalsContact O-CD1 3.29Å; C180-I184 WeakPolarHBondContact O-CD1 3.49Å; C180-I184 WeakPolarHBondContact O-CG1 3.48Å; C180-I184 PolarHBondContact O-N 2.84Å; K181-I184 PolarHBondContact O-N 3.31Å; I184-K186 PolarHBondContact O-N 3.11Å; I184-L187 WeakPolarHBondContact O-CB 3.36Å; I184-L187 PolarHBondContact O-N 3.02Å; I184-L187 VanDerWaalsContact O-N 3.11Å; I184-R188 HydrophobicContact CG2-CG 4.21Å; I184-R188 VanDerWaalsContact O-CG 3.26Å; I184-R188 WeakPolarHBondContact O-CG 3.32Å; I184-R188 PolarHBondContact O-N 2.89Å
185E90.2Very high87Confident89 Ų8949.9 Ų49.942%0.41625%0.253SS..Hα-helixtrans-63.7-45.2-178.9-163.764.5-174.400111.8K181 E182 L187 R188 E189K181-E185 PolarHBondContact O-N 3.21Å; E182-E185 PolarHBondContact O-N 3.32Å; E185-L187 PolarHBondContact O-N 3.29Å; E185-R188 WeakPolarHBondContact O-CB 3.39Å; E185-R188 PolarHBondContact O-N 3.12Å; E185-R188 VanDerWaalsContact O-N 3.1Å; E185-R188 IonicContact OE1-NH1 3.75Å; E185-R188 IonicContact OE2-CZ 2.88Å; E185-R188 IonicContact OE2-NH1 2.97Å; E185-R188 PolarHBondContact OE2-NH1 3.25Å; E185-E189 WeakPolarHBondContact O-CG 3.03Å; E185-E189 PolarHBondContact O-N 3.39Å
186K90.7Very high86.9Confident107 Ų10750.4 Ų50.447%0.46525%0.249SC..Hα-helixtrans-56.6-38.1172.4-74.1172.2-178.8169.10112.3E182 I184 V190 I341E182-K186 WeakPolarHBondContact O-CG 3.36Å; E182-K186 PolarHBondContact O-N 3.09Å; I184-K186 PolarHBondContact O-N 3.11Å; K186-V190 VanDerWaalsContact O-CG2 3.3Å; K186-V190 WeakPolarHBondContact O-CG2 3.26Å; K186-V190 PolarHBondContact O-N 3.41Å; K186-I341 HydrophobicContact CB-CD1 3.89Å; K186-I341 HydrophobicContact CB-CG1 4.28Å
187L89.6Confident87Confident0 Ų051 Ų510%025%0.25CC..Hα-helixtrans-70.4-37.9178.5-170.661.2000111.9Q183 I184 E185 V190 V191 V212 L214 C225 V229 L318 I341Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 3.22Å; I184-L187 WeakPolarHBondContact O-CB 3.36Å; I184-L187 PolarHBondContact O-N 3.02Å; I184-L187 VanDerWaalsContact O-N 3.11Å; E185-L187 PolarHBondContact O-N 3.29Å; L187-V190 PolarHBondContact O-N 2.89Å; L187-V191 HydrophobicContact CD1-CG2 4.2Å; L187-V191 PolarHBondContact O-N 3.24Å; L187-V212 HydrophobicContact CD1-CG1 4.15Å; L187-L214 HydrophobicContact CD1-CD2 4.11Å; L187-C225 HydrophobicContact CD2-CB 4Å; L187-V229 HydrophobicContact CD2-CG2 3.4Å; L187-V229 HydrophobicContact CG-CG2 3.67Å; L187-L318 HydrophobicContact CD1-CD2 3.51Å; L187-I341 HydrophobicContact CB-CD1 4Å; L187-I341 HydrophobicContact CD1-CD1 4.12Å
188R89.3Confident86.9Confident83 Ų8353.6 Ų53.631%0.31327%0.267SS..Hα-helixtrans-67.6-38.9176.3-69.1174.372.7-150.53112.3Y174 I184 E185 V190 E192 T193Y174-R188 HydrophobicContact CE1-CG 4.46Å; I184-R188 HydrophobicContact CG2-CG 4.21Å; I184-R188 VanDerWaalsContact O-CG 3.26Å; I184-R188 WeakPolarHBondContact O-CG 3.32Å; I184-R188 PolarHBondContact O-N 2.89Å; E185-R188 WeakPolarHBondContact O-CB 3.39Å; E185-R188 PolarHBondContact O-N 3.12Å; E185-R188 VanDerWaalsContact O-N 3.1Å; E185-R188 IonicContact OE1-NH1 3.75Å; E185-R188 IonicContact OE2-CZ 2.88Å; E185-R188 IonicContact OE2-NH1 2.97Å; E185-R188 PolarHBondContact OE2-NH1 3.25Å; R188-V190 PolarHBondContact O-N 2.84Å; R188-E192 HydrophobicContact CB-CB 4.34Å; R188-E192 WeakPolarHBondContact CG-OE2 3.46Å; R188-E192 IonicContact CZ-OE2 3.58Å; R188-E192 IonicContact NE-OE2 2.81Å; R188-E192 PolarHBondContact NE-OE2 2.96Å; R188-E192 IonicContact NH2-OE2 3.62Å; R188-E192 WeakPolarHBondContact O-CA 3.31Å; R188-E192 WeakPolarHBondContact O-CB 3.2Å; R188-E192 PolarHBondContact O-N 3.34Å; R188-T193 PolarHBondContact O-N 3.14Å; R188-T193 PolarHBondContact O-OG1 3.14Å
189E88.2Confident87.2Confident102 Ų10260 Ų6048%0.47729%0.294SS..Hα-helixtrans-60.5-35.2174.6-73.8178-179.100112.5E185 P194E185-E189 WeakPolarHBondContact O-CG 3.03Å; E185-E189 PolarHBondContact O-N 3.39Å; E189-P194 WeakPolarHBondContact O-CD 3.32Å
190V87.2Confident87.6Confident5 Ų566.5 Ų66.53%0.0331%0.311CS..Hα-helixtrans-88.3-37.4-175.71780000113.1K186 L187 R188 P194 P209 V212 R339K186-V190 VanDerWaalsContact O-CG2 3.3Å; K186-V190 WeakPolarHBondContact O-CG2 3.26Å; K186-V190 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 2.89Å; R188-V190 PolarHBondContact O-N 2.84Å; V190-P194 WeakPolarHBondContact O-CD 3.15Å; V190-P194 VanDerWaalsContact O-CG 3.26Å; V190-P194 WeakPolarHBondContact O-CG 3.42Å; V190-P209 HydrophobicContact CB-CG 4.23Å; V190-P209 HydrophobicContact CG1-CB 4.14Å; V190-P209 HydrophobicContact CG1-CG 3.76Å; V190-P209 HydrophobicContact CG2-CG 3.96Å; V190-V212 HydrophobicContact CB-CG2 3.77Å; V190-V212 HydrophobicContact CG1-CG2 3.12Å; V190-V212 HydrophobicContact CG2-CG2 4.25Å; V190-R339 HydrophobicContact CG2-CB 4.1Å; V190-R339 HydrophobicContact CG2-CG 3.66Å
191V87.1Confident87.9Confident2 Ų267.5 Ų67.51%0.01231%0.314CS..THydrogen-bonded Turntrans-105.2-53.4-173.2-171.60000111.8L187 L195 V212 V229 T233 L271 L318L187-V191 HydrophobicContact CD1-CG2 4.2Å; L187-V191 PolarHBondContact O-N 3.24Å; V191-L195 HydrophobicContact CG1-CD1 4.07Å; V191-L195 WeakPolarHBondContact O-CB 3.47Å; V191-L195 WeakPolarHBondContact O-CD1 3.33Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-V212 HydrophobicContact CG2-CG2 4.49Å; V191-V229 HydrophobicContact CB-CG1 3.87Å; V191-V229 HydrophobicContact CG1-CG1 3.52Å; V191-V229 HydrophobicContact CG2-CG1 4.48Å; V191-T233 HydrophobicContact CG1-CG2 4.31Å; V191-L271 HydrophobicContact CG1-CD1 3.71Å; V191-L271 HydrophobicContact CG1-CD2 4.15Å; V191-L318 HydrophobicContact CG2-CD1 4.42Å; V191-L318 HydrophobicContact CG2-CD2 4.25Å; V191-L318 HydrophobicContact CG2-CG 4.4Å
192E87.1Confident88.1Confident13 Ų1364.9 Ų64.96%0.06131%0.312CS..Hα-helixtrans-70.8-47.8-174.7-170.9-178.8-177.300111.4R188 L195 L196 R232 T233R188-E192 HydrophobicContact CB-CB 4.34Å; R188-E192 WeakPolarHBondContact CG-OE2 3.46Å; R188-E192 IonicContact CZ-OE2 3.58Å; R188-E192 IonicContact NE-OE2 2.81Å; R188-E192 PolarHBondContact NE-OE2 2.96Å; R188-E192 IonicContact NH2-OE2 3.62Å; R188-E192 WeakPolarHBondContact O-CA 3.31Å; R188-E192 WeakPolarHBondContact O-CB 3.2Å; R188-E192 PolarHBondContact O-N 3.34Å; E192-L195 PolarHBondContact O-N 3.13Å; E192-L196 HydrophobicContact CG-CD1 3.9Å; E192-L196 PolarHBondContact O-N 2.99Å; E192-R232 HydrophobicContact CG-CG 4.42Å; E192-R232 VanDerWaalsContact OE1-CG 3.31Å; E192-R232 WeakPolarHBondContact OE1-CG 3.26Å; E192-R232 IonicContact OE1-NE 2.65Å; E192-R232 PolarHBondContact OE1-NE 3.09Å; E192-T233 HydrophobicContact CB-CG2 4.42Å
193T87.8Confident88.2Confident41 Ų4165.1 Ų65.125%0.25232%0.317SS..Hα-helixtrans-63.8-44.2-172.4-500000113.1R188 L195 H197 F201R188-T193 PolarHBondContact O-N 3.14Å; R188-T193 PolarHBondContact O-OG1 3.14Å; T193-L195 VanDerWaalsContact C-N 3.34Å; T193-H197 CarbonylContact O-C 3.48Å; T193-H197 PolarHBondContact O-N 2.95Å; T193-F201 HydrophobicContact CG2-CE2 4.01Å; T193-F201 HydrophobicContact CG2-CZ 4.3Å
194P86.9Confident88.4Confident10 Ų1069.6 Ų69.67%0.06534%0.342CS..Hα-helixtrans-70.5-29.3177.5-19.934.4000113.5E189 V190 F201 P208E189-P194 WeakPolarHBondContact O-CD 3.32Å; V190-P194 WeakPolarHBondContact O-CD 3.15Å; V190-P194 VanDerWaalsContact O-CG 3.26Å; V190-P194 WeakPolarHBondContact O-CG 3.42Å; P194-F201 HydrophobicContact CB-CD2 4.24Å; P194-F201 HydrophobicContact CB-CE2 3.85Å; P194-F201 HydrophobicContact CB-CZ 4.26Å; P194-F201 HydrophobicContact CG-CD2 4.49Å; P194-F201 HydrophobicContact CG-CE1 4.39Å; P194-F201 HydrophobicContact CG-CE2 3.68Å; P194-F201 HydrophobicContact CG-CZ 3.64Å; P194-P208 HydrophobicContact CB-CB 3.81Å; P194-P208 HydrophobicContact CB-CG 4.42Å; P194-P208 HydrophobicContact CG-CB 3.89Å
195L83.6Confident88.4Confident38 Ų3871.9 Ų71.920%0.19937%0.37CS..Hα-helixtrans-78-40.7179.5-71.9174.5000112V191 E192 T193 T233 A235 A269 N314V191-L195 HydrophobicContact CG1-CD1 4.07Å; V191-L195 WeakPolarHBondContact O-CB 3.47Å; V191-L195 WeakPolarHBondContact O-CD1 3.33Å; V191-L195 VanDerWaalsContact O-CG 3.26Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; E192-L195 PolarHBondContact O-N 3.13Å; T193-L195 VanDerWaalsContact C-N 3.34Å; L195-T233 HydrophobicContact CD1-CG2 3.98Å; L195-A235 HydrophobicContact CD1-CB 4.47Å; L195-A269 HydrophobicContact CD2-CB 4.24Å; L195-N314 HydrophobicContact CD2-CB 4.46Å
196L84.8Confident88.3Confident86 Ų8671.7 Ų71.745%0.4537%0.371SS..Hα-helixtrans-78.1-39.8177.8-10489.9000113.2E192E192-L196 HydrophobicContact CG-CD1 3.9Å; E192-L196 PolarHBondContact O-N 2.99Å
197H86.8Confident87.9Confident87 Ų8773.8 Ų73.840%0.40338%0.382SS..  trans-132.964.4-170.1-60-48000112.1T193 E199 R200T193-H197 CarbonylContact O-C 3.48Å; T193-H197 PolarHBondContact O-N 2.95Å; H197-E199 PolarHBondContact O-N 2.91Å; H197-R200 HydrophobicContact CB-CG 4.21Å; H197-R200 PolarHBondContact O-N 3.26Å
198P85.1Confident87.7Confident66 Ų6675.8 Ų75.843%0.42940%0.395SS..Hα-helixtrans-60.8-30.9178.825.1-34.1000112.5R200 F201 V202P198-R200 PolarHBondContact O-N 3.23Å; P198-R200 VanDerWaalsContact O-N 3.14Å; P198-F201 PolarHBondContact O-N 2.93Å; P198-V202 PolarHBondContact O-N 3.37Å; P198-V202 VanDerWaalsContact O-N 3.14Å
199E89.6Confident87.5Confident144 Ų14473.1 Ų73.167%0.67339%0.389SS*.Hα-helixtrans-55-33.3178.8-62.5-178-173.700113.3H197 F201 V202 N203H197-E199 PolarHBondContact O-N 2.91Å; E199-F201 VanDerWaalsContact C-N 3.3Å; E199-F201 PolarHBondContact O-N 3.25Å; E199-V202 PolarHBondContact O-N 3.48Å; E199-N203 VanDerWaalsContact O-CB 3.31Å; E199-N203 WeakPolarHBondContact O-CB 3.49Å; E199-N203 PolarHBondContact O-N 3.06Å; E199-N203 PolarHBondContact O-ND2 3.16Å
200R90.4Very high87.1Confident162 Ų16271.6 Ų71.661%0.61138%0.38SS*.Hα-helixtrans-64.1-36.8178-68.3-176.2-179.3-171.41.6111.9H197 P198 L204H197-R200 HydrophobicContact CB-CG 4.21Å; H197-R200 PolarHBondContact O-N 3.26Å; P198-R200 PolarHBondContact O-N 3.23Å; P198-R200 VanDerWaalsContact O-N 3.14Å; R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.32Å; R200-L204 PolarHBondContact O-N 3.47Å
201F88.3Confident87.1Confident30 Ų3071.4 Ų71.413%0.13238%0.379CS..Hα-helixtrans-75.5-40.8178.3-68-89.1000111.2T193 P194 P198 E199 L204 G205 I206 P208T193-F201 HydrophobicContact CG2-CE2 4.01Å; T193-F201 HydrophobicContact CG2-CZ 4.3Å; P194-F201 HydrophobicContact CB-CD2 4.24Å; P194-F201 HydrophobicContact CB-CE2 3.85Å; P194-F201 HydrophobicContact CB-CZ 4.26Å; P194-F201 HydrophobicContact CG-CD2 4.49Å; P194-F201 HydrophobicContact CG-CE1 4.39Å; P194-F201 HydrophobicContact CG-CE2 3.68Å; P194-F201 HydrophobicContact CG-CZ 3.64Å; P198-F201 PolarHBondContact O-N 2.93Å; E199-F201 VanDerWaalsContact C-N 3.3Å; E199-F201 PolarHBondContact O-N 3.25Å; F201-L204 PolarHBondContact O-N 2.98Å; F201-G205 PolarHBondContact O-N 3.49Å; F201-I206 HydrophobicContact CD1-CD1 3.8Å; F201-I206 HydrophobicContact CD1-CG1 3.92Å; F201-I206 HydrophobicContact CE1-CD1 4.1Å; F201-I206 PolarHBondContact O-N 2.98Å; F201-I206 VanDerWaalsContact O-N 3.13Å; F201-P208 HydrophobicContact CD1-CB 3.88Å; F201-P208 HydrophobicContact CE1-CB 4.04Å; F201-P208 HydrophobicContact CG-CB 4.27Å
202V88.6Confident87.3Confident113 Ų11371.3 Ų71.369%0.68538%0.379SS*.Hα-helixtrans-64.2-47177.3-178.30000111.4P198 E199 L204 G205P198-V202 PolarHBondContact O-N 3.37Å; P198-V202 VanDerWaalsContact O-N 3.14Å; E199-V202 PolarHBondContact O-N 3.48Å; V202-L204 VanDerWaalsContact C-N 3.3Å; V202-L204 PolarHBondContact O-N 3.46Å; V202-G205 PolarHBondContact O-N 2.91Å; V202-G205 VanDerWaalsContact O-N 3.09Å
203N93Very high87.6Confident139 Ų13970.8 Ų70.874%0.74338%0.376SS*.Hα-helixtrans-64.9-34.5179.8-72-18.8000112.8E199 G205E199-N203 VanDerWaalsContact O-CB 3.31Å; E199-N203 WeakPolarHBondContact O-CB 3.49Å; E199-N203 PolarHBondContact O-N 3.06Å; E199-N203 PolarHBondContact O-ND2 3.16Å; N203-G205 VanDerWaalsContact C-N 3.32Å
204L94Very high87.8Confident124 Ų12468.8 Ų68.865%0.64936%0.364SS*.Hα-helixtrans-79.5-16.9176.2-172.959.3000112.4R200 F201 V202 I206R200-L204 VanDerWaalsContact O-CB 3.29Å; R200-L204 WeakPolarHBondContact O-CB 3.32Å; R200-L204 PolarHBondContact O-N 3.47Å; F201-L204 PolarHBondContact O-N 2.98Å; V202-L204 VanDerWaalsContact C-N 3.3Å; V202-L204 PolarHBondContact O-N 3.46Å; L204-I206 HydrophobicContact CB-CG1 4.12Å; L204-I206 HydrophobicContact CD2-CD1 3.6Å; L204-I206 HydrophobicContact CD2-CG1 3.81Å; L204-I206 HydrophobicContact CD2-CG2 4.4Å; L204-I206 HydrophobicContact CG-CD1 4.34Å; L204-I206 HydrophobicContact CG-CG1 3.99Å; L204-I206 HydrophobicContact CG-CG2 4.14Å
205G88.7Confident88.1Confident68 Ų6869.7 Ų69.770%0.70137%0.367SS*.THydrogen-bonded Turntrans72.426.1-178.800000114F201 V202 N203F201-G205 PolarHBondContact O-N 3.49Å; V202-G205 PolarHBondContact O-N 2.91Å; V202-G205 VanDerWaalsContact O-N 3.09Å; N203-G205 VanDerWaalsContact C-N 3.32Å
206I88.3Confident88.4Confident85 Ų8567.9 Ų67.944%0.43636%0.358SS..  trans-109.5139.8178.557.9160000111F201 L204F201-I206 HydrophobicContact CD1-CD1 3.8Å; F201-I206 HydrophobicContact CD1-CG1 3.92Å; F201-I206 HydrophobicContact CE1-CD1 4.1Å; F201-I206 PolarHBondContact O-N 2.98Å; F201-I206 VanDerWaalsContact O-N 3.13Å; L204-I206 HydrophobicContact CB-CG1 4.12Å; L204-I206 HydrophobicContact CD2-CD1 3.6Å; L204-I206 HydrophobicContact CD2-CG1 3.81Å; L204-I206 HydrophobicContact CD2-CG2 4.4Å; L204-I206 HydrophobicContact CG-CD1 4.34Å; L204-I206 HydrophobicContact CG-CG1 3.99Å; L204-I206 HydrophobicContact CG-CG2 4.14Å
207E82.5Confident88.6Confident152 Ų15264 Ų6471%0.7134%0.338SS*.PPolyproline II helixtrans-75.5133.7170.2-72.3-168.4178.500110.3K210E207-K210 IonicContact OE2-NZ 2.66Å
208P84.6Confident88.6Confident42 Ų4262 Ų6227%0.27333%0.332SS..PPolyproline II helixtrans-69.1145.1175.129.7-34.5000110.2P194 F201 K210P194-P208 HydrophobicContact CB-CB 3.81Å; P194-P208 HydrophobicContact CB-CG 4.42Å; P194-P208 HydrophobicContact CG-CB 3.89Å; F201-P208 HydrophobicContact CD1-CB 3.88Å; F201-P208 HydrophobicContact CE1-CB 4.04Å; F201-P208 HydrophobicContact CG-CB 4.27Å; P208-K210 PolarHBondContact O-N 3.1Å
209P84.7Confident88.7Confident26 Ų2660.3 Ų60.317%0.16933%0.327CS..PPolyproline II helixtrans-56140.5177.918.2-27.9000111.6V190 K316 D338 R339V190-P209 HydrophobicContact CB-CG 4.23Å; V190-P209 HydrophobicContact CG1-CB 4.14Å; V190-P209 HydrophobicContact CG1-CG 3.76Å; V190-P209 HydrophobicContact CG2-CG 3.96Å; P209-K316 PolarHBondContact O-NZ 3.49Å; P209-D338 HydrophobicContact CB-CB 3.97Å; P209-R339 HydrophobicContact CB-CG 4.2Å; P209-R339 HydrophobicContact CG-CG 4.48Å
210K80.3Confident88.5Confident70 Ų7054 Ų5430%0.30430%0.298SS..  trans-88.5-33.2-169.1-68.4176.3-179.7175.90113E207 P208 V317 D338E207-K210 IonicContact OE2-NZ 2.66Å; P208-K210 PolarHBondContact O-N 3.1Å; K210-V317 PolarHBondContact O-N 3.43Å; K210-D338 PolarHBondContact N-OD2 3.5Å
211G86.9Confident88.3Confident1 Ų147 Ų471%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-145.9152.4-175.700000114V317 R336 D338 R339G211-V317 VanDerWaalsContact CA-O 3.27Å; G211-V317 WeakPolarHBondContact CA-O 3.24Å; G211-R336 WeakPolarHBondContact CA-O 3.36Å; G211-R336 PolarHBondContact N-O 3.37Å; G211-D338 PolarHBondContact O-N 3.46Å; G211-R339 PolarHBondContact O-N 3.38Å
212V91.5Very high88.3Confident1 Ų146.1 Ų46.11%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-125.5133.1176.5-172.90000109.9L187 V190 V191 L214 V317 L318 M319 R339 I341L187-V212 HydrophobicContact CD1-CG1 4.15Å; V190-V212 HydrophobicContact CB-CG2 3.77Å; V190-V212 HydrophobicContact CG1-CG2 3.12Å; V190-V212 HydrophobicContact CG2-CG2 4.25Å; V191-V212 HydrophobicContact CG2-CG2 4.49Å; V212-L214 HydrophobicContact CG1-CD2 3.85Å; V212-V317 PolarHBondContact N-O 3.24Å; V212-L318 HydrophobicContact CB-CD2 3.78Å; V212-L318 HydrophobicContact CG1-CD2 4.24Å; V212-L318 HydrophobicContact CG2-CD2 4.28Å; V212-M319 PolarHBondContact O-N 2.93Å; V212-R339 CarbonylContact C-O 3.58Å; V212-R339 VanDerWaalsContact CA-O 3.28Å; V212-R339 WeakPolarHBondContact CA-O 3.22Å; V212-R339 HydrophobicContact CG1-CB 4.48Å; V212-R339 HydrophobicContact CG2-CB 4.34Å; V212-I341 HydrophobicContact CG1-CD1 3.61Å; V212-I341 HydrophobicContact CG1-CG1 3.93Å
213L92.4Very high88.3Confident1 Ų143 Ų431%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-103.6121.8168.5-176.665.8000110.2F215 M319 T321 L327 M332 L337 R339 K340 I341L213-F215 HydrophobicContact CG-CD1 4.47Å; L213-M319 CarbonylContact C-O 3.45Å; L213-M319 HydrophobicContact CD1-CB 3.89Å; L213-T321 HydrophobicContact CD1-CG2 4.07Å; L213-L327 HydrophobicContact CD1-CD1 4.17Å; L213-L327 HydrophobicContact CD2-CD1 4.18Å; L213-M332 HydrophobicContact CD2-CE 3.73Å; L213-M332 HydrophobicContact CD2-SD 3.33Å; L213-M332 WeakPolarHBondContact CD2-SD 3.25Å; L213-L337 HydrophobicContact CB-CD1 4.27Å; L213-L337 HydrophobicContact CD1-CD1 4.43Å; L213-R339 PolarHBondContact N-O 2.95Å; L213-K340 HydrophobicContact CB-CG 4.48Å; L213-I341 PolarHBondContact O-N 2.92Å
214L93.4Very high88.1Confident0 Ų040.1 Ų40.10%024%0.239CC..EExtended strand (participates in β ladder)trans-98118.6169.6-50.9-178.4000108.4L187 V212 K222 M319 A320 T321 I341 F343L187-L214 HydrophobicContact CD1-CD2 4.11Å; V212-L214 HydrophobicContact CG1-CD2 3.85Å; L214-K222 HydrophobicContact CB-CB 4.47Å; L214-K222 HydrophobicContact CB-CD 4.33Å; L214-K222 HydrophobicContact CB-CG 4.44Å; L214-M319 PolarHBondContact N-O 2.88Å; L214-A320 HydrophobicContact CB-CB 4.39Å; L214-A320 CarbonylContact O-C 3.46Å; L214-A320 WeakPolarHBondContact O-CA 3.42Å; L214-T321 PolarHBondContact O-N 3.25Å; L214-I341 HydrophobicContact CD2-CB 3.96Å; L214-I341 HydrophobicContact CD2-CD1 4.16Å; L214-I341 HydrophobicContact CD2-CG1 4.5Å; L214-I341 HydrophobicContact CD2-CG2 4.43Å; L214-F343 HydrophobicContact CB-CD2 4.27Å; L214-F343 HydrophobicContact CB-CE2 3.91Å; L214-F343 HydrophobicContact CD1-CE2 4.2Å; L214-F343 HydrophobicContact CD2-CE2 3.63Å; L214-F343 HydrophobicContact CD2-CZ 4.39Å; L214-F343 HydrophobicContact CG-CE2 4.1Å
215F92.5Very high87.8Confident29 Ų2934.2 Ų34.213%0.12721%0.208CC..EExtended strand (participates in β ladder)trans-133.4160176.369.3-80.3000110.8L213 T321 P324 K340 I341 E342 F343L213-F215 HydrophobicContact CG-CD1 4.47Å; F215-T321 WeakPolarHBondContact CA-O 3.5Å; F215-T321 HydrophobicContact CB-CG2 3.64Å; F215-P324 HydrophobicContact CB-CB 4.34Å; F215-P324 HydrophobicContact CB-CG 4.46Å; F215-P324 HydrophobicContact CD2-CB 4.37Å; F215-P324 HydrophobicContact CD2-CG 3.98Å; F215-P324 HydrophobicContact CG-CB 4.44Å; F215-P324 HydrophobicContact CG-CG 4.47Å; F215-K340 HydrophobicContact CE1-CB 4.02Å; F215-I341 PolarHBondContact N-O 3.49Å; F215-I341 VanDerWaalsContact N-O 3.15Å; F215-E342 HydrophobicContact CD2-CG 4.27Å; F215-E342 HydrophobicContact CE1-CB 3.97Å; F215-E342 HydrophobicContact CE2-CB 3.84Å; F215-E342 HydrophobicContact CE2-CG 3.58Å; F215-E342 HydrophobicContact CZ-CB 3.48Å; F215-E342 VanDerWaalsContact CZ-CB 3.48Å; F215-E342 HydrophobicContact CZ-CG 3.78Å; F215-F343 PolarHBondContact O-N 3.35Å
216G90.8Very high87.6Confident0 Ų031 Ų310%017%0.174CC..SBendtrans149.2173.3-175.300000111.3K222 N433G216-K222 PolarHBondContact O-NZ 3.21Å; G216-N433 VanDerWaalsContact C-CG 3.47Å; G216-N433 VanDerWaalsContact C-ND2 3.28Å; G216-N433 VanDerWaalsContact CA-CG 3.45Å; G216-N433 WeakPolarHBondContact CA-OD1 3.26Å; G216-N433 PolarHBondContact N-OD1 3.44Å
217P88.3Confident87.5Confident5 Ų531.9 Ų31.93%0.03217%0.172CC..SBendtrans-63.1157.6176.823-29.7000112T220 K222 F343 L345P217-T220 HydrophobicContact CG-CG2 3.77Å; P217-T220 PolarHBondContact O-OG1 2.8Å; P217-K222 PolarHBondContact O-NZ 2.84Å; P217-F343 WeakPolarHBondContact CD-O 3.24Å; P217-L345 HydrophobicContact CG-CD2 4.32Å
218P87.6Confident87.7Confident44 Ų4424.7 Ų24.729%0.28614%0.139SC..THydrogen-bonded Turntrans-62.4147.4174.427-34.2000110.6Y429P218-Y429 HydrophobicContact CG-CD2 3.8Å; P218-Y429 HydrophobicContact CG-CE2 4.06Å; P218-Y429 HydrophobicContact CG-CG 4.2Å
219G85.4Confident87.8Confident30 Ų3022.7 Ų22.731%0.30913%0.126SC..THydrogen-bonded Turntrans84.56.1177.300000116.2G221 G382 A383G219-G221 VanDerWaalsContact C-N 3.33Å; G219-G382 PolarHBondContact O-N 3Å; G219-A383 PolarHBondContact O-N 2.94Å; G219-A383 VanDerWaalsContact O-N 3.14Å
220T86.1Confident87.7Confident11 Ų1121.6 Ų21.67%0.06712%0.119CC..SBendtrans-84.5-1.8171.854.50000114.2P217 F343P217-T220 HydrophobicContact CG-CG2 3.77Å; P217-T220 PolarHBondContact O-OG1 2.8Å; T220-F343 WeakPolarHBondContact OG1-CB 3.38Å
221G85.4Confident87.9Confident17 Ų1720.3 Ų20.318%0.17512%0.116CC..  trans87.623173.600000115.5G219 T223 L224 C225G219-G221 VanDerWaalsContact C-N 3.33Å; G221-T223 PolarHBondContact O-N 3.41Å; G221-L224 WeakPolarHBondContact O-CA 3.42Å; G221-L224 WeakPolarHBondContact O-CB 3.32Å; G221-L224 PolarHBondContact O-N 3.42Å; G221-C225 PolarHBondContact O-N 2.75Å; G221-C225 PolarHBondContact O-SG 3.01Å
222K90.1Very high87.7Confident10 Ų1027.4 Ų27.44%0.04314%0.142CC..Hα-helixtrans-50.5-53.1173.9-61.2-174.5-68.9-89.50112.6L214 G216 P217 L224 C225 A226 A320 T321 N322 F343L214-K222 HydrophobicContact CB-CB 4.47Å; L214-K222 HydrophobicContact CB-CD 4.33Å; L214-K222 HydrophobicContact CB-CG 4.44Å; G216-K222 PolarHBondContact O-NZ 3.21Å; P217-K222 PolarHBondContact O-NZ 2.84Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-L224 PolarHBondContact O-N 3.27Å; K222-C225 PolarHBondContact O-N 2.68Å; K222-A226 PolarHBondContact O-N 3Å; K222-A226 VanDerWaalsContact O-N 3.1Å; K222-A320 HydrophobicContact CB-CB 4.44Å; K222-T321 WeakPolarHBondContact CE-O 3.32Å; K222-N322 VanDerWaalsContact CE-OD1 3.32Å; K222-N322 WeakPolarHBondContact CE-OD1 3.28Å; K222-N322 PolarHBondContact NZ-OD1 2.95Å; K222-F343 HydrophobicContact CD-CD2 4.39Å; K222-F343 HydrophobicContact CG-CB 4.28Å; K222-F343 HydrophobicContact CG-CD2 3.76Å; K222-F343 HydrophobicContact CG-CE2 4.22Å; K222-F343 HydrophobicContact CG-CG 3.96Å
223T87.6Confident87.1Confident49 Ų4928.1 Ų28.130%0.30115%0.146SC..Hα-helixtrans-64.2-34.1176.7-44.80000112.3G221 A226 R227 F273 D275G221-T223 PolarHBondContact O-N 3.41Å; T223-A226 PolarHBondContact O-N 3.41Å; T223-R227 WeakPolarHBondContact O-CG 3.43Å; T223-R227 PolarHBondContact O-N 3.39Å; T223-R227 VanDerWaalsContact O-N 3.11Å; T223-F273 HydrophobicContact CG2-CE1 4.22Å; T223-D275 VanDerWaalsContact CG2-OD2 3.31Å; T223-D275 WeakPolarHBondContact CG2-OD2 3.33Å; T223-D275 PolarHBondContact OG1-OD2 3.07Å
224L88.1Confident86.4Confident78 Ų7833.2 Ų33.241%0.40817%0.174SC..Hα-helixtrans-66.7-41.2175.7-70.3175.4000111.6V172 G221 K222 R227 A228V172-L224 HydrophobicContact CG1-CD2 4.42Å; G221-L224 WeakPolarHBondContact O-CA 3.42Å; G221-L224 WeakPolarHBondContact O-CB 3.32Å; G221-L224 PolarHBondContact O-N 3.42Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-L224 PolarHBondContact O-N 3.27Å; L224-R227 PolarHBondContact O-N 2.92Å; L224-A228 WeakPolarHBondContact O-CB 3.23Å; L224-A228 PolarHBondContact O-N 3.49Å
225C88.6Confident85.6Confident0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-63.7-43.6176.6-64.60000111.5V177 L187 G221 K222 R227 A228 V229 F343V177-C225 VanDerWaalsContact CG1-SG 3.52Å; L187-C225 HydrophobicContact CD2-CB 4Å; G221-C225 PolarHBondContact O-N 2.75Å; G221-C225 PolarHBondContact O-SG 3.01Å; K222-C225 PolarHBondContact O-N 2.68Å; C225-R227 VanDerWaalsContact C-N 3.32Å; C225-R227 PolarHBondContact O-N 2.75Å; C225-A228 PolarHBondContact O-N 2.91Å; C225-V229 VanDerWaalsContact O-CG2 3.25Å; C225-V229 WeakPolarHBondContact O-CG2 3.13Å; C225-V229 PolarHBondContact O-N 2.81Å; C225-F343 HydrophobicContact CB-CE1 4.45Å; C225-F343 HydrophobicContact CB-CZ 4.03Å; C225-F343 WeakPolarHBondContact SG-CE1 3.22Å
226A85.4Confident85.1Confident0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-60.4-42176.900000112.1K222 T223 V229 A230 F273K222-A226 PolarHBondContact O-N 3Å; K222-A226 VanDerWaalsContact O-N 3.1Å; T223-A226 PolarHBondContact O-N 3.41Å; A226-V229 PolarHBondContact O-N 2.65Å; A226-A230 PolarHBondContact O-N 3.06Å; A226-A230 VanDerWaalsContact O-N 3.09Å; A226-F273 HydrophobicContact CB-CD1 4.09Å; A226-F273 HydrophobicContact CB-CD2 3.55Å; A226-F273 HydrophobicContact CB-CE1 3.93Å; A226-F273 HydrophobicContact CB-CE2 3.35Å; A226-F273 HydrophobicContact CB-CG 3.93Å; A226-F273 HydrophobicContact CB-CZ 3.56Å
227R85.4Confident84.9Confident104 Ų10434.7 Ų34.739%0.39219%0.187SC..Hα-helixtrans-65.6-41.7174.8-70.218077179.93.6112.4P170 V172 T223 L224 C225 V229 A230 N231P170-R227 HydrophobicContact CB-CB 4Å; P170-R227 HydrophobicContact CB-CG 4.22Å; P170-R227 HydrophobicContact CG-CB 4.12Å; P170-R227 HydrophobicContact CG-CG 4.49Å; P170-R227 VanDerWaalsContact CG-O 3.3Å; P170-R227 WeakPolarHBondContact CG-O 3.32Å; V172-R227 HydrophobicContact CB-CB 4.16Å; V172-R227 HydrophobicContact CG2-CB 4.3Å; T223-R227 WeakPolarHBondContact O-CG 3.43Å; T223-R227 PolarHBondContact O-N 3.39Å; T223-R227 VanDerWaalsContact O-N 3.11Å; L224-R227 PolarHBondContact O-N 2.92Å; C225-R227 VanDerWaalsContact C-N 3.32Å; C225-R227 PolarHBondContact O-N 2.75Å; R227-V229 VanDerWaalsContact C-N 3.33Å; R227-V229 PolarHBondContact O-N 2.81Å; R227-A230 PolarHBondContact O-N 3.09Å; R227-N231 PolarHBondContact O-N 3.26Å
228A86.6Confident84.8Confident1 Ų134.5 Ų34.51%0.00819%0.186CC..Hα-helixtrans-63-39.1177.600000112.6V172 Y174 V177 L224 C225 N231 R232V172-A228 HydrophobicContact CG1-CB 4.41Å; V172-A228 WeakPolarHBondContact O-CA 3.15Å; Y174-A228 HydrophobicContact CD1-CB 3.89Å; Y174-A228 HydrophobicContact CE1-CB 4.07Å; Y174-A228 HydrophobicContact CG-CB 4.33Å; V177-A228 HydrophobicContact CG2-CB 4.09Å; L224-A228 WeakPolarHBondContact O-CB 3.23Å; L224-A228 PolarHBondContact O-N 3.49Å; C225-A228 PolarHBondContact O-N 2.91Å; A228-N231 PolarHBondContact O-N 3.12Å; A228-R232 PolarHBondContact O-N 3.49Å
229V86.3Confident84.9Confident0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-63.4-46174174.90000110.8Y174 L187 V191 C225 A226 R227 N231 R232 T233 L271Y174-V229 HydrophobicContact CE1-CG2 4.16Å; Y174-V229 WeakPolarHBondContact OH-CA 3.42Å; Y174-V229 WeakPolarHBondContact OH-CG2 3.39Å; L187-V229 HydrophobicContact CD2-CG2 3.4Å; L187-V229 HydrophobicContact CG-CG2 3.67Å; V191-V229 HydrophobicContact CB-CG1 3.87Å; V191-V229 HydrophobicContact CG1-CG1 3.52Å; V191-V229 HydrophobicContact CG2-CG1 4.48Å; C225-V229 VanDerWaalsContact O-CG2 3.25Å; C225-V229 WeakPolarHBondContact O-CG2 3.13Å; C225-V229 PolarHBondContact O-N 2.81Å; A226-V229 PolarHBondContact O-N 2.65Å; R227-V229 VanDerWaalsContact C-N 3.33Å; R227-V229 PolarHBondContact O-N 2.81Å; V229-N231 VanDerWaalsContact C-N 3.29Å; V229-N231 PolarHBondContact O-N 3.05Å; V229-R232 PolarHBondContact O-N 2.94Å; V229-T233 HydrophobicContact CG1-CG2 4.12Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 3.45Å; V229-T233 PolarHBondContact O-OG1 2.84Å; V229-L271 HydrophobicContact CG1-CD2 4.01Å
230A82.5Confident85Confident3 Ų335.9 Ų35.93%0.02518%0.176CC..Hα-helixtrans-60.3-38.8-179.900000112.7P170 A226 R227 R232 F237 L271P170-A230 HydrophobicContact CG-CB 3.84Å; A226-A230 PolarHBondContact O-N 3.06Å; A226-A230 VanDerWaalsContact O-N 3.09Å; R227-A230 PolarHBondContact O-N 3.09Å; A230-R232 VanDerWaalsContact C-N 3.3Å; A230-R232 PolarHBondContact O-N 3.11Å; A230-F237 HydrophobicContact CB-CB 3.94Å; A230-F237 HydrophobicContact CB-CD1 4.11Å; A230-F237 HydrophobicContact CB-CD2 3.37Å; A230-F237 HydrophobicContact CB-CE1 4.45Å; A230-F237 HydrophobicContact CB-CE2 3.77Å; A230-F237 HydrophobicContact CB-CG 3.54Å; A230-F237 HydrophobicContact CB-CZ 4.3Å; A230-L271 HydrophobicContact CB-CD2 4.48Å
231N84Confident85.2Confident43 Ų4337.2 Ų37.223%0.2318%0.182CC..Hα-helixtrans-65-35.4175.2-166.58.5000112.1P170 V172 R227 A228 V229P170-N231 VanDerWaalsContact O-CB 3.26Å; P170-N231 WeakPolarHBondContact O-CB 3.24Å; P170-N231 PolarHBondContact O-ND2 3.36Å; V172-N231 WeakPolarHBondContact O-CB 3.44Å; V172-N231 PolarHBondContact O-ND2 3.42Å; R227-N231 PolarHBondContact O-N 3.26Å; A228-N231 PolarHBondContact O-N 3.12Å; V229-N231 VanDerWaalsContact C-N 3.29Å; V229-N231 PolarHBondContact O-N 3.05Å
232R84.2Confident85.3Confident150 Ų15036.4 Ų36.457%0.56617%0.174SC*.Hα-helixtrans-79.1-34.7-176.3-171.363.5173.3170.22.2113.7Y174 E192 A228 V229 A230 D234Y174-R232 HydrophobicContact CD2-CB 4.4Å; Y174-R232 HydrophobicContact CE2-CB 3.7Å; Y174-R232 HydrophobicContact CE2-CG 3.87Å; E192-R232 HydrophobicContact CG-CG 4.42Å; E192-R232 VanDerWaalsContact OE1-CG 3.31Å; E192-R232 WeakPolarHBondContact OE1-CG 3.26Å; E192-R232 IonicContact OE1-NE 2.65Å; E192-R232 PolarHBondContact OE1-NE 3.09Å; A228-R232 PolarHBondContact O-N 3.49Å; V229-R232 PolarHBondContact O-N 2.94Å; A230-R232 VanDerWaalsContact C-N 3.3Å; A230-R232 PolarHBondContact O-N 3.11Å; R232-D234 VanDerWaalsContact C-N 3.34Å
233T78.8Confident85.1Confident15 Ų1538.9 Ų38.99%0.09219%0.192CC..Hα-helixtrans-83-9.1-171.253.50000114.1V191 E192 L195 V229 A235V191-T233 HydrophobicContact CG1-CG2 4.31Å; E192-T233 HydrophobicContact CB-CG2 4.42Å; L195-T233 HydrophobicContact CD1-CG2 3.98Å; V229-T233 HydrophobicContact CG1-CG2 4.12Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 3.45Å; V229-T233 PolarHBondContact O-OG1 2.84Å; T233-A235 PolarHBondContact O-N 2.89Å
234D77.2Confident85.1Confident109 Ų10940 Ų4058%0.58319%0.194SC*.  trans49.913.7-175.7-74.9-31.3000114.5K169 R232K169-D234 WeakPolarHBondContact CE-OD1 3.34Å; K169-D234 IonicContact NZ-OD1 3.68Å; K169-D234 PolarHBondContact NZ-OD1 2.83Å; R232-D234 VanDerWaalsContact C-N 3.34Å
235A76.3Confident84.9Confident19 Ų1936.3 Ų36.316%0.15718%0.175CC..SBendtrans-86.6159.7-179.100000109.9L195 T233 F237 A269L195-A235 HydrophobicContact CD1-CB 4.47Å; T233-A235 PolarHBondContact O-N 2.89Å; A235-F237 PolarHBondContact O-N 2.84Å; A235-F237 VanDerWaalsContact O-N 3.15Å; A235-A269 HydrophobicContact CB-CB 4.28Å
236C81.8Confident84.7Confident29 Ų2939.5 Ų39.520%0.19619%0.194CC..EExtended strand (participates in β ladder)trans-61.1123.7174178.10000110K267 A269 C270 L271C236-K267 HydrophobicContact CB-CD 3.67Å; C236-K267 WeakPolarHBondContact SG-CD 3.46Å; C236-K267 PolarHBondContact SG-NZ 3.22Å; C236-A269 PolarHBondContact N-O 3.38Å; C236-C270 WeakPolarHBondContact O-CA 3.33Å; C236-L271 PolarHBondContact O-N 3.16Å
237F86.5Confident84.7Confident12 Ų1242.8 Ų42.85%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-103.8118.7177.7-175.9-112.6000110.5V166 A230 A235 R239 L271 F273V166-F237 HydrophobicContact CB-CD1 4.12Å; V166-F237 HydrophobicContact CG2-CD1 4.11Å; V166-F237 HydrophobicContact CG2-CE1 4.42Å; V166-F237 PolarHBondContact N-O 2.83Å; A230-F237 HydrophobicContact CB-CB 3.94Å; A230-F237 HydrophobicContact CB-CD1 4.11Å; A230-F237 HydrophobicContact CB-CD2 3.37Å; A230-F237 HydrophobicContact CB-CE1 4.45Å; A230-F237 HydrophobicContact CB-CE2 3.77Å; A230-F237 HydrophobicContact CB-CG 3.54Å; A230-F237 HydrophobicContact CB-CZ 4.3Å; A235-F237 PolarHBondContact O-N 2.84Å; A235-F237 VanDerWaalsContact O-N 3.15Å; F237-R239 HydrophobicContact CD1-CB 4.44Å; F237-R239 HydrophobicContact CE1-CB 3.81Å; F237-R239 HydrophobicContact CZ-CB 4.34Å; F237-L271 HydrophobicContact CD2-CB 4.27Å; F237-L271 HydrophobicContact CD2-CD2 3.92Å; F237-L271 HydrophobicContact CD2-CG 4.15Å; F237-L271 HydrophobicContact CE2-CD2 4.18Å; F237-L271 HydrophobicContact CE2-CG 4.45Å; F237-F273 HydrophobicContact CE2-CB 3.47Å; F237-F273 VanDerWaalsContact CE2-CB 3.47Å; F237-F273 HydrophobicContact CE2-CG 4.2Å; F237-F273 HydrophobicContact CZ-CB 3.58Å; F237-F273 AromaticContact CZ-CD1 3.91Å; F237-F273 HydrophobicContact CZ-CD1 3.91Å; F237-F273 AromaticContact CZ-CG 3.98Å; F237-F273 HydrophobicContact CZ-CG 3.98Å
238I88Confident84.6Confident1 Ų147 Ų471%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-109.3115.6174.6-55.9178.6000107.1V240 L260 A264 C270 L271 F273I238-V240 HydrophobicContact CG2-CG2 4.09Å; I238-L260 HydrophobicContact CG2-CD1 3.79Å; I238-A264 HydrophobicContact CD1-CB 4.34Å; I238-C270 WeakPolarHBondContact CD1-SG 3.5Å; I238-L271 PolarHBondContact N-O 3.19Å; I238-F273 PolarHBondContact O-N 3.14Å
239R88.6Confident84.5Confident103 Ų10354.9 Ų54.939%0.38926%0.261SS..EExtended strand (participates in β ladder)trans-101.1121.9176.4-179.517674.8135.45.4108.7V166 F237 F273V166-R239 HydrophobicContact CG2-CB 3.62Å; F237-R239 HydrophobicContact CD1-CB 4.44Å; F237-R239 HydrophobicContact CE1-CB 3.81Å; F237-R239 HydrophobicContact CZ-CB 4.34Å; R239-F273 HydrophobicContact CG-CD1 4.12Å
240V88.8Confident84.4Confident0 Ų060.1 Ų60.10%029%0.293CS..EExtended strand (participates in β ladder)trans-119128.6175.9-1740000108I238 L245 L260 F273 F274 D275I238-V240 HydrophobicContact CG2-CG2 4.09Å; V240-L245 HydrophobicContact CG1-CD1 3.94Å; V240-L245 HydrophobicContact CG1-CD2 3.91Å; V240-L245 HydrophobicContact CG1-CG 3.82Å; V240-L260 HydrophobicContact CG2-CD1 3.36Å; V240-L260 HydrophobicContact CG2-CD2 4.27Å; V240-L260 HydrophobicContact CG2-CG 4.46Å; V240-F273 PolarHBondContact N-O 2.9Å; V240-F274 HydrophobicContact CB-CD1 3.82Å; V240-F274 HydrophobicContact CB-CE1 4.02Å; V240-F274 HydrophobicContact CG1-CD1 3.99Å; V240-F274 HydrophobicContact CG1-CE1 4.05Å; V240-F274 HydrophobicContact CG2-CD1 4.43Å; V240-F274 HydrophobicContact CG2-CE1 4.2Å; V240-F274 CarbonylContact O-C 3.6Å; V240-F274 WeakPolarHBondContact O-CA 3.47Å; V240-D275 PolarHBondContact O-N 2.94Å
241I89.4Confident84.5Confident39 Ų3961 Ų6120%0.230%0.303CS..EExtended strand (participates in β ladder)trans-90.6131171-53.3175.7000107.2S243 E244I241-S243 VanDerWaalsContact CG2-OG 3.32Å; I241-S243 WeakPolarHBondContact CG2-OG 3.26Å; I241-S243 PolarHBondContact O-N 3.45Å; I241-S243 VanDerWaalsContact O-N 3.12Å; I241-E244 HydrophobicContact CB-CG 4.03Å; I241-E244 PolarHBondContact N-OE2 3.42Å; I241-E244 WeakPolarHBondContact O-CB 3.3Å; I241-E244 PolarHBondContact O-N 2.82Å
242G86.9Confident84.7Confident0 Ų061 Ų610%030%0.301CS..G310 helixtrans-55.6-33.9-175.500000113.3E244 L245 D275 I280G242-E244 VanDerWaalsContact C-N 3.32Å; G242-E244 PolarHBondContact O-N 3.24Å; G242-L245 PolarHBondContact O-N 3.37Å; G242-D275 PolarHBondContact N-O 2.99Å; G242-I280 VanDerWaalsContact O-CG2 3.24Å; G242-I280 WeakPolarHBondContact O-CG2 3.29Å
243S86.6Confident84.8Confident62 Ų6253.9 Ų53.943%0.43427%0.274SS..G310 helixtrans-68.1-24.7175.955.40000114.3I241 L245 V246I241-S243 VanDerWaalsContact CG2-OG 3.32Å; I241-S243 WeakPolarHBondContact CG2-OG 3.26Å; I241-S243 PolarHBondContact O-N 3.45Å; I241-S243 VanDerWaalsContact O-N 3.12Å; S243-L245 VanDerWaalsContact C-N 3.25Å; S243-L245 PolarHBondContact O-N 3.43Å; S243-V246 PolarHBondContact O-N 3.28Å
244E86.5Confident85.3Confident72 Ų7253.3 Ų53.334%0.33627%0.271SS..G310 helixtrans-71.1-23.3176.8-68.7174161.200112.4M164 I241 G242 V246 Q247M164-E244 HydrophobicContact CE-CB 3.94Å; I241-E244 HydrophobicContact CB-CG 4.03Å; I241-E244 PolarHBondContact N-OE2 3.42Å; I241-E244 WeakPolarHBondContact O-CB 3.3Å; I241-E244 PolarHBondContact O-N 2.82Å; G242-E244 VanDerWaalsContact C-N 3.32Å; G242-E244 PolarHBondContact O-N 3.24Å; E244-V246 PolarHBondContact O-N 3.18Å; E244-Q247 PolarHBondContact O-NE2 2.96Å
245L85.3Confident85.8Confident1 Ų152.9 Ų52.91%0.00526%0.261CS..G310 helixtrans-75.9-15.2177.5-63.5173.6000112.5V240 G242 S243 Q247 G253 M256 V257 F274 I280 T298V240-L245 HydrophobicContact CG1-CD1 3.94Å; V240-L245 HydrophobicContact CG1-CD2 3.91Å; V240-L245 HydrophobicContact CG1-CG 3.82Å; G242-L245 PolarHBondContact O-N 3.37Å; S243-L245 VanDerWaalsContact C-N 3.25Å; S243-L245 PolarHBondContact O-N 3.43Å; L245-Q247 PolarHBondContact O-N 3.21Å; L245-G253 VanDerWaalsContact O-CA 3.29Å; L245-G253 WeakPolarHBondContact O-CA 3.27Å; L245-M256 HydrophobicContact CD2-CG 4.34Å; L245-M256 HydrophobicContact CD2-SD 3.85Å; L245-V257 HydrophobicContact CD1-CG2 4.33Å; L245-V257 HydrophobicContact CD2-CG2 3.91Å; L245-F274 HydrophobicContact CD1-CD1 4.22Å; L245-F274 HydrophobicContact CD1-CE1 4.06Å; L245-I280 HydrophobicContact CB-CD1 4.46Å; L245-I280 HydrophobicContact CB-CG2 4.22Å; L245-I280 HydrophobicContact CD1-CD1 3.45Å; L245-I280 VanDerWaalsContact CD1-CD1 3.45Å; L245-I280 HydrophobicContact CD1-CG1 4.5Å; L245-T298 HydrophobicContact CB-CG2 4.11Å
246V84.9Confident86.4Confident67 Ų6752.4 Ų52.441%0.40626%0.256SS..  trans-86.5107.1176.7-175.10000109.1S243 E244 I280 V295S243-V246 PolarHBondContact O-N 3.28Å; E244-V246 PolarHBondContact O-N 3.18Å; V246-I280 HydrophobicContact CG2-CG2 3.51Å; V246-V295 HydrophobicContact CG1-CG2 4.45Å; V246-V295 HydrophobicContact CG2-CG2 4.44Å
247Q84.4Confident86.7Confident69 Ų6951 Ų5132%0.32225%0.247SC..  trans-112.2153.8-178.1-66.9-62-31.300111.8E244 L245 Y249 E252 M256E244-Q247 PolarHBondContact O-NE2 2.96Å; L245-Q247 PolarHBondContact O-N 3.21Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 2.7Å; Q247-E252 HydrophobicContact CB-CB 3.98Å; Q247-E252 HydrophobicContact CB-CG 4.21Å; Q247-E252 HydrophobicContact CG-CB 4.4Å; Q247-E252 HydrophobicContact CG-CG 4.15Å; Q247-M256 HydrophobicContact CG-CE 3.86Å
248K83.5Confident86.8Confident192 Ų19256.4 Ų56.484%0.83527%0.267SS*.SBendtrans-67.5-29.8178.4-176178.6176.9-177.50112.2
249Y84.5Confident86.7Confident166 Ų16658 Ų5865%0.65127%0.274SS*.SBendtrans-90.8127.7-178.3-62.7-80.9000111Q247 G251 E252Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 2.7Å; Y249-G251 PolarHBondContact O-N 2.77Å; Y249-E252 WeakPolarHBondContact CD2-OE2 3.45Å; Y249-E252 VanDerWaalsContact O-CB 3.31Å; Y249-E252 WeakPolarHBondContact O-CB 3.35Å; Y249-E252 PolarHBondContact O-N 2.95Å; Y249-E252 VanDerWaalsContact O-N 3.13Å
250V84.4Confident86.7Confident110 Ų11053.1 Ų53.167%0.66726%0.256SS*.THydrogen-bonded Turntrans-60.8127.3-178.8178.30000110.8E252 E294V250-E252 VanDerWaalsContact C-N 3.31Å; V250-E294 WeakPolarHBondContact CA-OE2 3.42Å; V250-E294 WeakPolarHBondContact CG1-OE2 3.45Å
251G84.9Confident86.6Confident22 Ų2253.3 Ų53.323%0.22726%0.256CS..THydrogen-bonded Turntrans81.4-1.5-179.100000115.2Y249 R255 E294Y249-G251 PolarHBondContact O-N 2.77Å; G251-R255 PolarHBondContact O-N 3.36Å; G251-R255 VanDerWaalsContact O-N 3.09Å; G251-E294 WeakPolarHBondContact CA-OE1 3.02Å; G251-E294 PolarHBondContact N-OE1 3.16Å; G251-E294 PolarHBondContact N-OE2 3.01Å
252E86.8Confident86.4Confident44 Ų4455.8 Ų55.821%0.20627%0.267CS..Hα-helixtrans-72.7-40178.4-173.8164.2-143.500111.8Q247 Y249 V250 A254 R255 M256Q247-E252 HydrophobicContact CB-CB 3.98Å; Q247-E252 HydrophobicContact CB-CG 4.21Å; Q247-E252 HydrophobicContact CG-CB 4.4Å; Q247-E252 HydrophobicContact CG-CG 4.15Å; Y249-E252 WeakPolarHBondContact CD2-OE2 3.45Å; Y249-E252 VanDerWaalsContact O-CB 3.31Å; Y249-E252 WeakPolarHBondContact O-CB 3.35Å; Y249-E252 PolarHBondContact O-N 2.95Å; Y249-E252 VanDerWaalsContact O-N 3.13Å; V250-E252 VanDerWaalsContact C-N 3.31Å; E252-A254 PolarHBondContact O-N 3.13Å; E252-R255 PolarHBondContact O-N 3.33Å; E252-R255 IonicContact OE1-NH2 3.44Å; E252-R255 PolarHBondContact OE1-NH2 2.85Å; E252-M256 WeakPolarHBondContact O-CB 3.37Å; E252-M256 PolarHBondContact O-N 2.73Å
253G87.2Confident86.2Confident0 Ų056.2 Ų56.20%027%0.269CS..Hα-helixtrans-60.2-45.417500000112L245 R255 M256 V257L245-G253 VanDerWaalsContact O-CA 3.29Å; L245-G253 WeakPolarHBondContact O-CA 3.27Å; G253-R255 PolarHBondContact O-N 2.85Å; G253-M256 WeakPolarHBondContact O-CB 3.31Å; G253-M256 PolarHBondContact O-N 3.18Å; G253-V257 WeakPolarHBondContact O-CG2 3.02Å; G253-V257 PolarHBondContact O-N 3.28Å
254A88.9Confident86.1Confident3 Ų353.3 Ų53.33%0.02525%0.249CC..Hα-helixtrans-63.2-39.7175.400000112.6E252 M256 V257 R258 R297 T298 E301E252-A254 PolarHBondContact O-N 3.13Å; A254-M256 VanDerWaalsContact C-N 3.33Å; A254-V257 PolarHBondContact O-N 3.42Å; A254-R258 PolarHBondContact O-N 2.82Å; A254-R297 HydrophobicContact CB-CG 4.23Å; A254-T298 PolarHBondContact N-OG1 3.43Å; A254-E301 HydrophobicContact CB-CB 4Å; A254-E301 HydrophobicContact CB-CG 4.15Å
255R87.9Confident86Confident100 Ų10054.8 Ų54.838%0.37725%0.251SS..Hα-helixtrans-61-44.6173.8-173.7179.281.4-131.4-4.6110.9D158 G251 E252 G253 V257 R258 E259D158-R255 IonicContact OD2-CZ 3.25Å; D158-R255 VanDerWaalsContact OD2-CZ 3.25Å; D158-R255 IonicContact OD2-NE 2.98Å; D158-R255 PolarHBondContact OD2-NE 2.95Å; D158-R255 IonicContact OD2-NH2 2.75Å; D158-R255 PolarHBondContact OD2-NH2 3.41Å; G251-R255 PolarHBondContact O-N 3.36Å; G251-R255 VanDerWaalsContact O-N 3.09Å; E252-R255 PolarHBondContact O-N 3.33Å; E252-R255 IonicContact OE1-NH2 3.44Å; E252-R255 PolarHBondContact OE1-NH2 2.85Å; G253-R255 PolarHBondContact O-N 2.85Å; R255-V257 VanDerWaalsContact C-N 3.35Å; R255-V257 PolarHBondContact O-N 3.41Å; R255-R258 WeakPolarHBondContact O-CB 3.33Å; R255-R258 PolarHBondContact O-N 3.3Å; R255-E259 WeakPolarHBondContact CD-OE1 3.47Å; R255-E259 HydrophobicContact CG-CG 4.43Å; R255-E259 WeakPolarHBondContact CG-OE1 3.41Å; R255-E259 IonicContact NE-OE1 3.56Å; R255-E259 WeakPolarHBondContact O-CG 3.46Å; R255-E259 PolarHBondContact O-N 2.9Å
256M87.8Confident85.8Confident8 Ų859.6 Ų59.64%0.03928%0.281CS..Hα-helixtrans-59.6-44179.9-167.2-175.7-61.800111.9V161 M164 L245 Q247 E252 G253 A254 R258 E259 L260V161-M256 HydrophobicContact CG2-CG 3.65Å; M164-M256 HydrophobicContact CE-CE 4.42Å; M164-M256 HydrophobicContact CE-SD 3.6Å; M164-M256 VanDerWaalsContact CE-SD 3.6Å; M164-M256 HydrophobicContact SD-SD 4.1Å; L245-M256 HydrophobicContact CD2-CG 4.34Å; L245-M256 HydrophobicContact CD2-SD 3.85Å; Q247-M256 HydrophobicContact CG-CE 3.86Å; E252-M256 WeakPolarHBondContact O-CB 3.37Å; E252-M256 PolarHBondContact O-N 2.73Å; G253-M256 WeakPolarHBondContact O-CB 3.31Å; G253-M256 PolarHBondContact O-N 3.18Å; A254-M256 VanDerWaalsContact C-N 3.33Å; M256-R258 PolarHBondContact O-N 3.15Å; M256-E259 PolarHBondContact O-N 2.82Å; M256-L260 VanDerWaalsContact O-CB 3.29Å; M256-L260 WeakPolarHBondContact O-CB 3.46Å; M256-L260 PolarHBondContact O-N 2.9Å
257V89.5Confident85.7Confident0 Ų058.7 Ų58.70%027%0.271CS..Hα-helixtrans-61.5-43.9176.1174.60000111.4L245 G253 A254 R255 L260 F261 T298 E301 L302 Q305L245-V257 HydrophobicContact CD1-CG2 4.33Å; L245-V257 HydrophobicContact CD2-CG2 3.91Å; G253-V257 WeakPolarHBondContact O-CG2 3.02Å; G253-V257 PolarHBondContact O-N 3.28Å; A254-V257 PolarHBondContact O-N 3.42Å; R255-V257 VanDerWaalsContact C-N 3.35Å; R255-V257 PolarHBondContact O-N 3.41Å; V257-L260 PolarHBondContact O-N 3Å; V257-F261 HydrophobicContact CG1-CD2 4.03Å; V257-F261 HydrophobicContact CG1-CE2 4.1Å; V257-F261 WeakPolarHBondContact O-CD2 3.31Å; V257-F261 PolarHBondContact O-N 2.85Å; V257-F261 VanDerWaalsContact O-N 3.12Å; V257-T298 HydrophobicContact CG2-CG2 3.86Å; V257-E301 HydrophobicContact CB-CG 4.39Å; V257-E301 HydrophobicContact CG1-CG 4.36Å; V257-L302 HydrophobicContact CG1-CB 4.08Å; V257-L302 HydrophobicContact CG1-CD1 4.09Å; V257-Q305 HydrophobicContact CG1-CG 4.31Å
258R87.9Confident85.3Confident126 Ų12664.8 Ų64.848%0.47530%0.297SS..Hα-helixtrans-59.5-49.7176.3-70.4-180-167.1142.711.5111.9A254 R255 M256 L260 F261 E262 E301A254-R258 PolarHBondContact O-N 2.82Å; R255-R258 WeakPolarHBondContact O-CB 3.33Å; R255-R258 PolarHBondContact O-N 3.3Å; M256-R258 PolarHBondContact O-N 3.15Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 3.05Å; R258-F261 PolarHBondContact O-N 3.17Å; R258-E262 WeakPolarHBondContact O-CB 3.26Å; R258-E262 PolarHBondContact O-N 3.43Å; R258-E301 WeakPolarHBondContact CD-OE1 3.39Å; R258-E301 HydrophobicContact CG-CG 3.88Å; R258-E301 WeakPolarHBondContact CG-OE1 3.31Å; R258-E301 IonicContact CZ-OE1 3.82Å; R258-E301 IonicContact CZ-OE2 3.36Å; R258-E301 IonicContact NE-OE1 2.85Å; R258-E301 PolarHBondContact NE-OE1 3.31Å; R258-E301 IonicContact NE-OE2 3.15Å; R258-E301 PolarHBondContact NE-OE2 3.48Å; R258-E301 VanDerWaalsContact NE-OE2 3.15Å; R258-E301 IonicContact NH2-OE1 3.93Å; R258-E301 IonicContact NH2-OE2 2.73Å; R258-E301 PolarHBondContact NH2-OE2 2.94Å
259E86.1Confident85.2Confident34 Ų3457.2 Ų57.216%0.15927%0.271CS..Hα-helixtrans-65.4-33.6-178.6-69.4-176.1-16400112D158 V161 R255 M256 E262 M263D158-E259 WeakPolarHBondContact CA-OE2 3.34Å; D158-E259 WeakPolarHBondContact CB-OE2 3.43Å; D158-E259 PolarHBondContact N-OE2 3.13Å; V161-E259 HydrophobicContact CG2-CB 4.34Å; R255-E259 WeakPolarHBondContact CD-OE1 3.47Å; R255-E259 HydrophobicContact CG-CG 4.43Å; R255-E259 WeakPolarHBondContact CG-OE1 3.41Å; R255-E259 IonicContact NE-OE1 3.56Å; R255-E259 WeakPolarHBondContact O-CG 3.46Å; R255-E259 PolarHBondContact O-N 2.9Å; M256-E259 PolarHBondContact O-N 2.82Å; E259-E262 PolarHBondContact O-N 2.94Å; E259-M263 VanDerWaalsContact O-CB 3.24Å; E259-M263 WeakPolarHBondContact O-CB 3.39Å; E259-M263 PolarHBondContact O-N 2.84Å
260L88.4Confident85.3Confident1 Ų149.3 Ų49.31%0.00524%0.24CC..Hα-helixtrans-62.8-46.6174-177.6115.8000112.2V161 I238 V240 M256 V257 R258 A264 I272 F274V161-L260 HydrophobicContact CG1-CB 4Å; V161-L260 HydrophobicContact CG1-CD1 4.15Å; I238-L260 HydrophobicContact CG2-CD1 3.79Å; V240-L260 HydrophobicContact CG2-CD1 3.36Å; V240-L260 HydrophobicContact CG2-CD2 4.27Å; V240-L260 HydrophobicContact CG2-CG 4.46Å; M256-L260 VanDerWaalsContact O-CB 3.29Å; M256-L260 WeakPolarHBondContact O-CB 3.46Å; M256-L260 PolarHBondContact O-N 2.9Å; V257-L260 PolarHBondContact O-N 3Å; R258-L260 VanDerWaalsContact C-N 3.28Å; R258-L260 PolarHBondContact O-N 3.05Å; L260-A264 WeakPolarHBondContact O-CB 3.43Å; L260-A264 PolarHBondContact O-N 2.89Å; L260-I272 HydrophobicContact CD2-CD1 4.11Å; L260-I272 HydrophobicContact CD2-CG2 3.86Å; L260-F274 HydrophobicContact CD2-CE1 4.29Å; L260-F274 HydrophobicContact CD2-CZ 3.84Å
261F87.1Confident85.4Confident3 Ų344.1 Ų44.11%0.01321%0.208CC..Hα-helixtrans-68.5-36.6176.4-85.1-84.9000112.1V257 R258 A264 R265 I272 F274 L302 Q305 L306 V317V257-F261 HydrophobicContact CG1-CD2 4.03Å; V257-F261 HydrophobicContact CG1-CE2 4.1Å; V257-F261 WeakPolarHBondContact O-CD2 3.31Å; V257-F261 PolarHBondContact O-N 2.85Å; V257-F261 VanDerWaalsContact O-N 3.12Å; R258-F261 PolarHBondContact O-N 3.17Å; F261-A264 PolarHBondContact O-N 3.12Å; F261-R265 VanDerWaalsContact O-CG 3.31Å; F261-R265 WeakPolarHBondContact O-CG 3.43Å; F261-R265 PolarHBondContact O-N 2.62Å; F261-I272 HydrophobicContact CD1-CD1 4.05Å; F261-I272 HydrophobicContact CE1-CD1 3.83Å; F261-I272 HydrophobicContact CZ-CD1 4.17Å; F261-F274 HydrophobicContact CE2-CZ 4.2Å; F261-F274 HydrophobicContact CZ-CE2 4.44Å; F261-F274 HydrophobicContact CZ-CZ 4.44Å; F261-L302 HydrophobicContact CE2-CD1 3.59Å; F261-L302 HydrophobicContact CZ-CD1 3.99Å; F261-Q305 HydrophobicContact CB-CB 4.39Å; F261-Q305 HydrophobicContact CB-CG 4.38Å; F261-Q305 HydrophobicContact CD1-CB 4.2Å; F261-Q305 HydrophobicContact CD2-CB 3.56Å; F261-Q305 HydrophobicContact CD2-CG 3.91Å; F261-Q305 HydrophobicContact CE1-CB 4.43Å; F261-Q305 HydrophobicContact CE2-CB 3.83Å; F261-Q305 HydrophobicContact CG-CB 3.78Å; F261-Q305 HydrophobicContact CG-CG 4.2Å; F261-Q305 HydrophobicContact CZ-CB 4.25Å; F261-L306 HydrophobicContact CZ-CD2 4Å; F261-V317 HydrophobicContact CE1-CG2 4.23Å; F261-V317 HydrophobicContact CZ-CG2 4.36Å
262E84.3Confident85.7Confident92 Ų9243 Ų4343%0.4320%0.197SC..Hα-helixtrans-63.6-46176.2-164.562-16300111.5R258 E259 A264 R265 T266R258-E262 WeakPolarHBondContact O-CB 3.26Å; R258-E262 PolarHBondContact O-N 3.43Å; E259-E262 PolarHBondContact O-N 2.94Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 2.72Å; E262-R265 WeakPolarHBondContact O-CB 3.38Å; E262-R265 PolarHBondContact O-N 3.41Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-R265 IonicContact OE2-NH1 2.89Å; E262-R265 PolarHBondContact OE2-NH1 2.78Å; E262-R265 VanDerWaalsContact OE2-NH1 3.11Å; E262-T266 PolarHBondContact O-N 3.29Å; E262-T266 PolarHBondContact O-OG1 3.35Å; E262-T266 VanDerWaalsContact O-OG1 3.07Å
263M83.3Confident85.9Confident9 Ų941 Ų414%0.04419%0.187CC..Hα-helixtrans-61.1-37.8173.6179.9179.8176.400112.2I157 V161 T162 Q165 E259 T266I157-M263 HydrophobicContact CD1-CB 4.44Å; I157-M263 HydrophobicContact CD1-CG 4.29Å; I157-M263 HydrophobicContact CG2-CB 4.34Å; I157-M263 HydrophobicContact CG2-CG 4.42Å; I157-M263 HydrophobicContact CG2-SD 3.94Å; V161-M263 HydrophobicContact CG1-SD 3.98Å; T162-M263 HydrophobicContact CG2-CE 4.02Å; T162-M263 HydrophobicContact CG2-SD 4.1Å; Q165-M263 HydrophobicContact CB-CE 3.96Å; Q165-M263 HydrophobicContact CG-CE 4.36Å; E259-M263 VanDerWaalsContact O-CB 3.24Å; E259-M263 WeakPolarHBondContact O-CB 3.39Å; E259-M263 PolarHBondContact O-N 2.84Å; M263-T266 PolarHBondContact O-N 2.75Å
264A84.9Confident86.1Confident0 Ų041 Ų410%019%0.187CC..Hα-helixtrans-68.2-35175.500000112.4I238 L260 F261 E262 K267 C270 I272 I315I238-A264 HydrophobicContact CD1-CB 4.34Å; L260-A264 WeakPolarHBondContact O-CB 3.43Å; L260-A264 PolarHBondContact O-N 2.89Å; F261-A264 PolarHBondContact O-N 3.12Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 2.72Å; A264-K267 PolarHBondContact O-N 3.15Å; A264-C270 HydrophobicContact CB-CB 4.26Å; A264-I272 HydrophobicContact CB-CD1 3.73Å; A264-I272 HydrophobicContact CB-CG1 4.24Å; A264-I315 HydrophobicContact CB-CD1 4.12Å; A264-I315 HydrophobicContact CB-CG2 4.43Å
265R83.9Confident86.2Confident103 Ų10341.9 Ų41.939%0.38919%0.192SC..Hα-helixtrans-68.2-33.7175.2-73.3172.2-172.6160.21.2113F261 E262 K267 Q305 I315F261-R265 VanDerWaalsContact O-CG 3.31Å; F261-R265 WeakPolarHBondContact O-CG 3.43Å; F261-R265 PolarHBondContact O-N 2.62Å; E262-R265 WeakPolarHBondContact O-CB 3.38Å; E262-R265 PolarHBondContact O-N 3.41Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-R265 IonicContact OE2-NH1 2.89Å; E262-R265 PolarHBondContact OE2-NH1 2.78Å; E262-R265 VanDerWaalsContact OE2-NH1 3.11Å; R265-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact O-N 3.16Å; R265-Q305 VanDerWaalsContact NH2-OE1 3.11Å; R265-I315 HydrophobicContact CB-CD1 4.37Å; R265-I315 HydrophobicContact CG-CD1 3.62Å
266T81.6Confident86.3Confident103 Ų10341.4 Ų41.463%0.63219%0.194SC*.THydrogen-bonded Turntrans-61.6-21.2173.4-44.30000111.9E262 M263E262-T266 PolarHBondContact O-N 3.29Å; E262-T266 PolarHBondContact O-OG1 3.35Å; E262-T266 VanDerWaalsContact O-OG1 3.07Å; M263-T266 PolarHBondContact O-N 2.75Å
267K82.1Confident86.4Confident47 Ų4741 Ų4120%0.20419%0.192CC..SBendtrans-94.6137.7-179.8-62.9179.8-176174.50111.3C236 A264 R265 A269 C270C236-K267 HydrophobicContact CB-CD 3.67Å; C236-K267 WeakPolarHBondContact SG-CD 3.46Å; C236-K267 PolarHBondContact SG-NZ 3.22Å; A264-K267 PolarHBondContact O-N 3.15Å; R265-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact O-N 3.16Å; K267-A269 VanDerWaalsContact C-N 3.33Å; K267-A269 PolarHBondContact O-N 3.15Å; K267-C270 HydrophobicContact CB-CB 4.27Å
268K75.9Confident86.4Confident197 Ų19743 Ų4386%0.85720%0.203SC*.SBendtrans-63.5-33.8-179-68.6-174.8178.1-178.50114.1N314K268-N314 WeakPolarHBondContact O-CB 3.27Å; K268-N314 PolarHBondContact O-ND2 3.2Å
269A82.1Confident86.3Confident34 Ų3439.3 Ų39.328%0.28120%0.199SC..SBendtrans-147.1120.3176.900000108.9L195 A235 C236 K267L195-A269 HydrophobicContact CD2-CB 4.24Å; A235-A269 HydrophobicContact CB-CB 4.28Å; C236-A269 PolarHBondContact N-O 3.38Å; K267-A269 VanDerWaalsContact C-N 3.33Å; K267-A269 PolarHBondContact O-N 3.15Å
270C85.3Confident86.3Confident0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-139.9134.9-174.8-166.90000111.2C236 I238 A264 K267 N314 I315 K316C236-C270 WeakPolarHBondContact O-CA 3.33Å; I238-C270 WeakPolarHBondContact CD1-SG 3.5Å; A264-C270 HydrophobicContact CB-CB 4.26Å; K267-C270 HydrophobicContact CB-CB 4.27Å; C270-N314 PolarHBondContact N-O 3.41Å; C270-I315 WeakPolarHBondContact O-CA 3.45Å; C270-K316 PolarHBondContact O-N 3.09Å
271L87.9Confident85.9Confident0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-109.7114.1173.6-173.363.4000108.7V191 V229 A230 C236 F237 I238 K316 L318V191-L271 HydrophobicContact CG1-CD1 3.71Å; V191-L271 HydrophobicContact CG1-CD2 4.15Å; V229-L271 HydrophobicContact CG1-CD2 4.01Å; A230-L271 HydrophobicContact CB-CD2 4.48Å; C236-L271 PolarHBondContact O-N 3.16Å; F237-L271 HydrophobicContact CD2-CB 4.27Å; F237-L271 HydrophobicContact CD2-CD2 3.92Å; F237-L271 HydrophobicContact CD2-CG 4.15Å; F237-L271 HydrophobicContact CE2-CD2 4.18Å; F237-L271 HydrophobicContact CE2-CG 4.45Å; I238-L271 PolarHBondContact N-O 3.19Å; L271-K316 WeakPolarHBondContact CA-O 3.37Å; L271-K316 HydrophobicContact CD1-CB 3.67Å; L271-L318 HydrophobicContact CD1-CD1 3.54Å; L271-L318 HydrophobicContact CD1-CG 4.06Å; L271-L318 HydrophobicContact CD2-CD1 3.71Å; L271-L318 HydrophobicContact CG-CD1 3.83Å
272I90.4Very high85.5Confident0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-97.9119.5175.5-53.3176.1000107.8L260 F261 A264 F274 I315 K316 V317 L318L260-I272 HydrophobicContact CD2-CD1 4.11Å; L260-I272 HydrophobicContact CD2-CG2 3.86Å; F261-I272 HydrophobicContact CD1-CD1 4.05Å; F261-I272 HydrophobicContact CE1-CD1 3.83Å; F261-I272 HydrophobicContact CZ-CD1 4.17Å; A264-I272 HydrophobicContact CB-CD1 3.73Å; A264-I272 HydrophobicContact CB-CG1 4.24Å; I272-F274 HydrophobicContact CB-CE2 4.36Å; I272-F274 HydrophobicContact CG2-CD2 3.96Å; I272-F274 HydrophobicContact CG2-CE1 4.42Å; I272-F274 HydrophobicContact CG2-CE2 3.38Å; I272-F274 HydrophobicContact CG2-CZ 3.65Å; I272-I315 HydrophobicContact CD1-CG2 3.78Å; I272-I315 HydrophobicContact CG1-CG2 4.16Å; I272-K316 PolarHBondContact N-O 3.19Å; I272-V317 WeakPolarHBondContact O-CA 3.44Å; I272-L318 PolarHBondContact O-N 3.36Å
273F91.7Very high84.9Confident1 Ų135.8 Ų35.80%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-110.5113176.2178.8-116.6000110.5T223 A226 F237 I238 R239 V240 D275 L318 A320T223-F273 HydrophobicContact CG2-CE1 4.22Å; A226-F273 HydrophobicContact CB-CD1 4.09Å; A226-F273 HydrophobicContact CB-CD2 3.55Å; A226-F273 HydrophobicContact CB-CE1 3.93Å; A226-F273 HydrophobicContact CB-CE2 3.35Å; A226-F273 HydrophobicContact CB-CG 3.93Å; A226-F273 HydrophobicContact CB-CZ 3.56Å; F237-F273 HydrophobicContact CE2-CB 3.47Å; F237-F273 VanDerWaalsContact CE2-CB 3.47Å; F237-F273 HydrophobicContact CE2-CG 4.2Å; F237-F273 HydrophobicContact CZ-CB 3.58Å; F237-F273 AromaticContact CZ-CD1 3.91Å; F237-F273 HydrophobicContact CZ-CD1 3.91Å; F237-F273 AromaticContact CZ-CG 3.98Å; F237-F273 HydrophobicContact CZ-CG 3.98Å; I238-F273 PolarHBondContact O-N 3.14Å; R239-F273 HydrophobicContact CG-CD1 4.12Å; V240-F273 PolarHBondContact N-O 2.9Å; F273-D275 HydrophobicContact CD1-CB 4.42Å; F273-D275 HydrophobicContact CE1-CB 3.69Å; F273-D275 HydrophobicContact CZ-CB 4.07Å; F273-L318 CarbonylContact C-O 3.55Å; F273-L318 WeakPolarHBondContact CA-O 3.41Å; F273-L318 HydrophobicContact CB-CB 4.49Å; F273-L318 HydrophobicContact CD2-CB 3.64Å; F273-L318 HydrophobicContact CE2-CB 4.43Å; F273-A320 HydrophobicContact CE2-CB 3.83Å; F273-A320 HydrophobicContact CZ-CB 3.81Å
274F91.9Very high84.2Confident0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-93.4112.2170.2-64.6-82.9000109.2V240 L245 L260 F261 I272 I277 L302 V317 L318 M319 A320V240-F274 HydrophobicContact CB-CD1 3.82Å; V240-F274 HydrophobicContact CB-CE1 4.02Å; V240-F274 HydrophobicContact CG1-CD1 3.99Å; V240-F274 HydrophobicContact CG1-CE1 4.05Å; V240-F274 HydrophobicContact CG2-CD1 4.43Å; V240-F274 HydrophobicContact CG2-CE1 4.2Å; V240-F274 CarbonylContact O-C 3.6Å; V240-F274 WeakPolarHBondContact O-CA 3.47Å; L245-F274 HydrophobicContact CD1-CD1 4.22Å; L245-F274 HydrophobicContact CD1-CE1 4.06Å; L260-F274 HydrophobicContact CD2-CE1 4.29Å; L260-F274 HydrophobicContact CD2-CZ 3.84Å; F261-F274 HydrophobicContact CE2-CZ 4.2Å; F261-F274 HydrophobicContact CZ-CE2 4.44Å; F261-F274 HydrophobicContact CZ-CZ 4.44Å; I272-F274 HydrophobicContact CB-CE2 4.36Å; I272-F274 HydrophobicContact CG2-CD2 3.96Å; I272-F274 HydrophobicContact CG2-CE1 4.42Å; I272-F274 HydrophobicContact CG2-CE2 3.38Å; I272-F274 HydrophobicContact CG2-CZ 3.65Å; F274-I277 HydrophobicContact CB-CD1 4.12Å; F274-I277 HydrophobicContact CD1-CD1 4.42Å; F274-I277 HydrophobicContact CG-CD1 4.36Å; F274-L302 HydrophobicContact CE1-CD1 4.25Å; F274-L302 HydrophobicContact CE2-CD1 4Å; F274-L302 HydrophobicContact CZ-CD1 3.64Å; F274-V317 HydrophobicContact CD2-CG1 3.79Å; F274-V317 HydrophobicContact CE2-CG1 3.8Å; F274-L318 PolarHBondContact N-O 2.89Å; F274-M319 HydrophobicContact CB-CG 4.22Å; F274-M319 HydrophobicContact CD2-CE 3.95Å; F274-M319 HydrophobicContact CD2-CG 4.17Å; F274-M319 HydrophobicContact CE2-CE 4.25Å; F274-M319 CarbonylContact O-C 3.6Å; F274-M319 WeakPolarHBondContact O-CA 3.14Å; F274-A320 PolarHBondContact O-N 2.73Å
275D90.9Very high83Confident22 Ų2250.7 Ų50.712%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-93149.4170.9-148.2-12.1000110.1T223 V240 G242 F273 I277T223-D275 VanDerWaalsContact CG2-OD2 3.31Å; T223-D275 WeakPolarHBondContact CG2-OD2 3.33Å; T223-D275 PolarHBondContact OG1-OD2 3.07Å; V240-D275 PolarHBondContact O-N 2.94Å; G242-D275 PolarHBondContact N-O 2.99Å; F273-D275 HydrophobicContact CD1-CB 4.42Å; F273-D275 HydrophobicContact CE1-CB 3.69Å; F273-D275 HydrophobicContact CZ-CB 4.07Å; D275-I277 VanDerWaalsContact C-N 3.31Å; D275-I277 PolarHBondContact O-N 3.11Å
276E89.8Confident81.8Confident89 Ų8953.9 Ų53.942%0.41628%0.279SS..SBendtrans5047.8179.6-58.3-174.5160.800113.5D278 A279 A320E276-D278 WeakPolarHBondContact CA-OD1 3.37Å; E276-D278 PolarHBondContact O-N 3.38Å; E276-D278 VanDerWaalsContact O-N 3.13Å; E276-A279 WeakPolarHBondContact O-CB 3.4Å; E276-A279 PolarHBondContact O-N 3.25Å; E276-A279 VanDerWaalsContact O-N 3.15Å; E276-A320 PolarHBondContact N-O 3.15Å
277I90.3Very high80.8Confident1 Ų155.3 Ų55.31%0.00528%0.283CS..G310 helixtrans-64.7-16.7-178.8-167.566.3000112.5F274 D275 A279 I280 G281 L302 M319 A320 L327F274-I277 HydrophobicContact CB-CD1 4.12Å; F274-I277 HydrophobicContact CD1-CD1 4.42Å; F274-I277 HydrophobicContact CG-CD1 4.36Å; D275-I277 VanDerWaalsContact C-N 3.31Å; D275-I277 PolarHBondContact O-N 3.11Å; I277-A279 PolarHBondContact O-N 3.12Å; I277-I280 HydrophobicContact CD1-CD1 3.55Å; I277-I280 HydrophobicContact CD1-CG1 3.6Å; I277-I280 HydrophobicContact CG1-CG1 4.42Å; I277-I280 PolarHBondContact O-N 2.97Å; I277-I280 VanDerWaalsContact O-N 3.15Å; I277-G281 WeakPolarHBondContact O-CA 3.44Å; I277-G281 PolarHBondContact O-N 3.25Å; I277-L302 HydrophobicContact CD1-CD2 3.83Å; I277-M319 HydrophobicContact CG1-SD 4.21Å; I277-M319 HydrophobicContact CG2-CB 4.41Å; I277-A320 WeakPolarHBondContact CG2-O 3.5Å; I277-A320 PolarHBondContact N-O 2.85Å; I277-L327 HydrophobicContact CG2-CD2 3.91Å
278D88Confident79.6Confident42 Ų4257.2 Ų57.223%0.22532%0.316CS..G310 helixtrans-61.7-20.3173.653.3-30.4000113.7E276 I280E276-D278 WeakPolarHBondContact CA-OD1 3.37Å; E276-D278 PolarHBondContact O-N 3.38Å; E276-D278 VanDerWaalsContact O-N 3.13Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 3.15Å
279A86Confident79Confident47 Ų4751.3 Ų51.339%0.38830%0.304SS..G310 helixtrans-65.9-31.7173.200000113.4E276 I277E276-A279 WeakPolarHBondContact O-CB 3.4Å; E276-A279 PolarHBondContact O-N 3.25Å; E276-A279 VanDerWaalsContact O-N 3.15Å; I277-A279 PolarHBondContact O-N 3.12Å
280I86Confident78.1Confident1 Ų152.4 Ų52.41%0.00532%0.319CS..THydrogen-bonded Turntrans-116.6-18.2-18058.3153.6000114.4G242 L245 V246 I277 D278 G282 V295 M299 L302G242-I280 VanDerWaalsContact O-CG2 3.24Å; G242-I280 WeakPolarHBondContact O-CG2 3.29Å; L245-I280 HydrophobicContact CB-CD1 4.46Å; L245-I280 HydrophobicContact CB-CG2 4.22Å; L245-I280 HydrophobicContact CD1-CD1 3.45Å; L245-I280 VanDerWaalsContact CD1-CD1 3.45Å; L245-I280 HydrophobicContact CD1-CG1 4.5Å; V246-I280 HydrophobicContact CG2-CG2 3.51Å; I277-I280 HydrophobicContact CD1-CD1 3.55Å; I277-I280 HydrophobicContact CD1-CG1 3.6Å; I277-I280 HydrophobicContact CG1-CG1 4.42Å; I277-I280 PolarHBondContact O-N 2.97Å; I277-I280 VanDerWaalsContact O-N 3.15Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 3.15Å; I280-G282 PolarHBondContact O-N 3.46Å; I280-V295 HydrophobicContact CB-CG1 4.18Å; I280-V295 HydrophobicContact CG2-CG1 4.33Å; I280-M299 WeakPolarHBondContact O-CB 3.49Å; I280-L302 HydrophobicContact CD1-CD2 4.1Å
281G81.1Confident77.1Confident0 Ų055.1 Ų55.10%035%0.346CS..  trans-82.15.2-177.700000114.1I277 A283 L327 D328I277-G281 WeakPolarHBondContact O-CA 3.44Å; I277-G281 PolarHBondContact O-N 3.25Å; G281-A283 PolarHBondContact O-N 3.02Å; G281-L327 CarbonylContact O-C 3.6Å; G281-L327 VanDerWaalsContact O-CA 3.31Å; G281-L327 WeakPolarHBondContact O-CA 3.41Å; G281-D328 PolarHBondContact O-N 3.24Å
282G78.6Confident76.4Confident27 Ų2758.8 Ų58.828%0.27837%0.366SS..BIsolated β-bridgetrans-53.2126.9-176.500000113.2I280 M299 T326I280-G282 PolarHBondContact O-N 3.46Å; G282-M299 WeakPolarHBondContact O-CE 3.19Å; G282-T326 CarbonylContact C-O 3.54Å; G282-T326 VanDerWaalsContact CA-O 3.26Å; G282-T326 WeakPolarHBondContact CA-O 3.03Å
283A70.6Confident75.9Confident29 Ų2963.4 Ų63.424%0.2439%0.391CS..  trans-58.2151.117600000111.9G281 F285 T326G281-A283 PolarHBondContact O-N 3.02Å; A283-F285 WeakPolarHBondContact O-CD2 3.32Å; A283-F285 PolarHBondContact O-N 2.9Å; A283-F285 VanDerWaalsContact O-N 3.09Å; A283-T326 PolarHBondContact N-O 3.41Å
284R68.2Low75.5Confident170 Ų17064.5 Ų64.564%0.64240%0.396SS*.  trans-58.1111.7-179.2-58.1176.5-171.2-165.7-3.3110.9D328R284-D328 IonicContact NE-OD2 3.11Å
285F61.6Low75.1Confident151 Ų15166.1 Ų66.166%0.66241%0.406SS*.  trans-105.9120.4162.8-71.3-79000108.3A283 D287A283-F285 WeakPolarHBondContact O-CD2 3.32Å; A283-F285 PolarHBondContact O-N 2.9Å; A283-F285 VanDerWaalsContact O-N 3.09Å; F285-D287 PolarHBondContact O-N 3.03Å
286D58.7Low74.8Confident170 Ų17067.2 Ų67.291%0.90941%0.41SS*.  trans-81.759.1176.7-170.339.2000109.4
287D59.6Low74.7Confident134 Ų13469.1 Ų69.172%0.71741%0.414SS*.  trans-104.6108.8170.4-143.520.5000105.5F285 A289F285-D287 PolarHBondContact O-N 3.03Å; D287-A289 PolarHBondContact O-N 3.38Å
288G57.8Low74.6Confident87 Ų8769.2 Ų69.290%0.89741%0.414SS*.SBendtrans-61.324.8-161.300000118.3
289A62.5Low74.7Confident72 Ų7267.3 Ų67.360%0.59540%0.404SS*.  trans-86.5115168.500000110.2D287 G291D287-A289 PolarHBondContact O-N 3.38Å; A289-G291 PolarHBondContact O-N 3.16Å
290G62.9Low74.8Confident58 Ų5868.6 Ų68.660%0.59840%0.404SS*.THydrogen-bonded Turntrans-64.111.7-174.100000117.8
291G65.4Low75Confident56 Ų5669.4 Ų69.458%0.57741%0.408SS*.THydrogen-bonded Turntrans-72-37.4176.300000113.4A289 N293A289-G291 PolarHBondContact O-N 3.16Å; G291-N293 PolarHBondContact O-N 2.96Å
292D72.6Confident75.4Confident78 Ų7869.4 Ų69.442%0.41741%0.408SS..Hα-helixtrans-73-19.3-176.9-73-5.5000112.9E294 V295 Q296D292-E294 PolarHBondContact O-N 3.38Å; D292-V295 PolarHBondContact O-N 2.89Å; D292-Q296 WeakPolarHBondContact O-CB 3.4Å; D292-Q296 WeakPolarHBondContact O-CG 3.45Å; D292-Q296 PolarHBondContact O-N 3.37Å
293N80.1Confident75.9Confident96 Ų9668.5 Ų68.551%0.51340%0.396SS..Hα-helixtrans-61.5-31.7-179.3-68.7-13.7000112.9G291 R297G291-N293 PolarHBondContact O-N 2.96Å; N293-R297 WeakPolarHBondContact O-CB 3.46Å; N293-R297 PolarHBondContact O-N 3.22Å
294E82.2Confident76.7Confident24 Ų2471.5 Ų71.511%0.11241%0.408CS..Hα-helixtrans-76.5-42.8179.7-178.258.4-162.600111.9V250 G251 D292 Q296 R297 T298V250-E294 WeakPolarHBondContact CA-OE2 3.42Å; V250-E294 WeakPolarHBondContact CG1-OE2 3.45Å; G251-E294 WeakPolarHBondContact CA-OE1 3.02Å; G251-E294 PolarHBondContact N-OE1 3.16Å; G251-E294 PolarHBondContact N-OE2 3.01Å; D292-E294 PolarHBondContact O-N 3.38Å; E294-Q296 VanDerWaalsContact C-N 3.31Å; E294-Q296 PolarHBondContact O-N 2.89Å; E294-R297 PolarHBondContact O-N 2.96Å; E294-T298 PolarHBondContact O-N 3.42Å; E294-T298 PolarHBondContact O-OG1 3.12Å; E294-T298 VanDerWaalsContact O-OG1 3.08Å
295V84.3Confident77.7Confident34 Ų3464.8 Ų64.821%0.20638%0.384CS..Hα-helixtrans-61.1-45.3175.3-179.80000109.6V246 I280 D292 R297 T298 M299V246-V295 HydrophobicContact CG1-CG2 4.45Å; V246-V295 HydrophobicContact CG2-CG2 4.44Å; I280-V295 HydrophobicContact CB-CG1 4.18Å; I280-V295 HydrophobicContact CG2-CG1 4.33Å; D292-V295 PolarHBondContact O-N 2.89Å; V295-R297 PolarHBondContact O-N 3.43Å; V295-T298 PolarHBondContact O-N 3.33Å; V295-M299 WeakPolarHBondContact O-CB 3.02Å; V295-M299 PolarHBondContact O-N 3Å
296Q84.5Confident78.8Confident46 Ų4657.7 Ų57.722%0.21535%0.353CS..Hα-helixtrans-60.8-42.6175.4-72.2174.411.300112.5D292 E294 T298 M299 L300D292-Q296 WeakPolarHBondContact O-CB 3.4Å; D292-Q296 WeakPolarHBondContact O-CG 3.45Å; D292-Q296 PolarHBondContact O-N 3.37Å; E294-Q296 VanDerWaalsContact C-N 3.31Å; E294-Q296 PolarHBondContact O-N 2.89Å; Q296-T298 VanDerWaalsContact C-N 3.29Å; Q296-T298 PolarHBondContact O-N 2.91Å; Q296-M299 PolarHBondContact O-N 3.45Å; Q296-L300 WeakPolarHBondContact O-CB 3.46Å; Q296-L300 VanDerWaalsContact O-CG 3.28Å; Q296-L300 WeakPolarHBondContact O-CG 3.44Å; Q296-L300 PolarHBondContact O-N 3.42Å
297R87.6Confident79.8Confident129 Ų12953.3 Ų53.349%0.48733%0.33SS..Hα-helixtrans-60.6-42177.3-174.5-178.8-68.5-175.9-1111.5A254 N293 E294 V295 E301A254-R297 HydrophobicContact CB-CG 4.23Å; N293-R297 WeakPolarHBondContact O-CB 3.46Å; N293-R297 PolarHBondContact O-N 3.22Å; E294-R297 PolarHBondContact O-N 2.96Å; V295-R297 PolarHBondContact O-N 3.43Å; R297-E301 WeakPolarHBondContact O-CB 3.2Å; R297-E301 PolarHBondContact O-N 2.84Å
298T88.8Confident80.2Confident2 Ų248.1 Ų48.11%0.01231%0.308CS..Hα-helixtrans-67.3-40.5178.4-56.40000111.4L245 A254 V257 E294 V295 Q296 E301 L302L245-T298 HydrophobicContact CB-CG2 4.11Å; A254-T298 PolarHBondContact N-OG1 3.43Å; V257-T298 HydrophobicContact CG2-CG2 3.86Å; E294-T298 PolarHBondContact O-N 3.42Å; E294-T298 PolarHBondContact O-OG1 3.12Å; E294-T298 VanDerWaalsContact O-OG1 3.08Å; V295-T298 PolarHBondContact O-N 3.33Å; Q296-T298 VanDerWaalsContact C-N 3.29Å; Q296-T298 PolarHBondContact O-N 2.91Å; T298-E301 PolarHBondContact O-N 3.29Å; T298-L302 PolarHBondContact O-N 3.45Å
299M88.9Confident80Confident3 Ų354.3 Ų54.32%0.01531%0.311CS..Hα-helixtrans-65-44.9175-171.9-137.5-58.100112.9I280 G282 V295 Q296 E301 L302 I303 D328 L331I280-M299 WeakPolarHBondContact O-CB 3.49Å; G282-M299 WeakPolarHBondContact O-CE 3.19Å; V295-M299 WeakPolarHBondContact O-CB 3.02Å; V295-M299 PolarHBondContact O-N 3Å; Q296-M299 PolarHBondContact O-N 3.45Å; M299-E301 VanDerWaalsContact C-N 3.29Å; M299-E301 PolarHBondContact O-N 2.94Å; M299-L302 WeakPolarHBondContact O-CB 3.41Å; M299-L302 PolarHBondContact O-N 3.02Å; M299-I303 HydrophobicContact CG-CD1 4.32Å; M299-I303 WeakPolarHBondContact O-CG1 3.48Å; M299-I303 PolarHBondContact O-N 2.66Å; M299-I303 HydrophobicContact SD-CD1 4.07Å; M299-D328 HydrophobicContact CE-CB 4.13Å; M299-D328 HydrophobicContact SD-CB 3.6Å; M299-D328 VanDerWaalsContact SD-CB 3.6Å; M299-L331 HydrophobicContact CG-CD1 4.31Å
300L88.8Confident80.1Confident74 Ų7456.3 Ų56.339%0.38731%0.311SS..Hα-helixtrans-63.2-38.7176.7-73172.7000111.1Q296 I303 N304Q296-L300 WeakPolarHBondContact O-CB 3.46Å; Q296-L300 VanDerWaalsContact O-CG 3.28Å; Q296-L300 WeakPolarHBondContact O-CG 3.44Å; Q296-L300 PolarHBondContact O-N 3.42Å; L300-I303 WeakPolarHBondContact O-CB 3.36Å; L300-I303 PolarHBondContact O-N 3.07Å; L300-N304 WeakPolarHBondContact O-CB 3.42Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 3.31Å
301E89.7Confident80.1Confident18 Ų1859.3 Ų59.38%0.08432%0.32CS..Hα-helixtrans-63.7-44.4173.9-172.660-146.900111.6A254 V257 R258 R297 T298 M299 I303 N304 Q305A254-E301 HydrophobicContact CB-CB 4Å; A254-E301 HydrophobicContact CB-CG 4.15Å; V257-E301 HydrophobicContact CB-CG 4.39Å; V257-E301 HydrophobicContact CG1-CG 4.36Å; R258-E301 WeakPolarHBondContact CD-OE1 3.39Å; R258-E301 HydrophobicContact CG-CG 3.88Å; R258-E301 WeakPolarHBondContact CG-OE1 3.31Å; R258-E301 IonicContact CZ-OE1 3.82Å; R258-E301 IonicContact CZ-OE2 3.36Å; R258-E301 IonicContact NE-OE1 2.85Å; R258-E301 PolarHBondContact NE-OE1 3.31Å; R258-E301 IonicContact NE-OE2 3.15Å; R258-E301 PolarHBondContact NE-OE2 3.48Å; R258-E301 VanDerWaalsContact NE-OE2 3.15Å; R258-E301 IonicContact NH2-OE1 3.93Å; R258-E301 IonicContact NH2-OE2 2.73Å; R258-E301 PolarHBondContact NH2-OE2 2.94Å; R297-E301 WeakPolarHBondContact O-CB 3.2Å; R297-E301 PolarHBondContact O-N 2.84Å; T298-E301 PolarHBondContact O-N 3.29Å; M299-E301 VanDerWaalsContact C-N 3.29Å; M299-E301 PolarHBondContact O-N 2.94Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.07Å; E301-N304 PolarHBondContact O-N 2.87Å; E301-N304 VanDerWaalsContact O-N 3.16Å; E301-Q305 WeakPolarHBondContact O-CG 3.46Å; E301-Q305 PolarHBondContact O-N 3.41Å; E301-Q305 PolarHBondContact OE1-NE2 3.27Å
302L89.9Confident80Confident0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-56.3-49.3173.817860.8000110.8V257 F261 F274 I277 I280 T298 M299 N304 Q305 L306 M319V257-L302 HydrophobicContact CG1-CB 4.08Å; V257-L302 HydrophobicContact CG1-CD1 4.09Å; F261-L302 HydrophobicContact CE2-CD1 3.59Å; F261-L302 HydrophobicContact CZ-CD1 3.99Å; F274-L302 HydrophobicContact CE1-CD1 4.25Å; F274-L302 HydrophobicContact CE2-CD1 4Å; F274-L302 HydrophobicContact CZ-CD1 3.64Å; I277-L302 HydrophobicContact CD1-CD2 3.83Å; I280-L302 HydrophobicContact CD1-CD2 4.1Å; T298-L302 PolarHBondContact O-N 3.45Å; M299-L302 WeakPolarHBondContact O-CB 3.41Å; M299-L302 PolarHBondContact O-N 3.02Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 2.95Å; L302-Q305 PolarHBondContact O-N 3.41Å; L302-Q305 VanDerWaalsContact O-N 3.16Å; L302-L306 HydrophobicContact CD1-CG 4.47Å; L302-L306 HydrophobicContact CG-CD1 4.5Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.47Å; L302-M319 HydrophobicContact CD1-CE 4.41Å; L302-M319 HydrophobicContact CD2-CE 3.96Å; L302-M319 HydrophobicContact CG-CE 4.35Å
303I89.1Confident79.8Confident7 Ų757.2 Ų57.24%0.03631%0.308CS..Hα-helixtrans-54.4-47.1175-77.3166.9000111.8M299 L300 E301 Q305 L306 D307 A330 L331 R336M299-I303 HydrophobicContact CG-CD1 4.32Å; M299-I303 WeakPolarHBondContact O-CG1 3.48Å; M299-I303 PolarHBondContact O-N 2.66Å; M299-I303 HydrophobicContact SD-CD1 4.07Å; L300-I303 WeakPolarHBondContact O-CB 3.36Å; L300-I303 PolarHBondContact O-N 3.07Å; E301-I303 VanDerWaalsContact C-N 3.33Å; E301-I303 PolarHBondContact O-N 3.07Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 3.49Å; I303-L306 WeakPolarHBondContact O-CA 3.36Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.12Å; I303-D307 PolarHBondContact O-N 3.43Å; I303-A330 HydrophobicContact CD1-CB 3.96Å; I303-L331 HydrophobicContact CD1-CD2 4.17Å; I303-L331 HydrophobicContact CD1-CG 4.12Å; I303-L331 HydrophobicContact CG1-CD2 3.49Å; I303-L331 VanDerWaalsContact CG1-CD2 3.49Å; I303-L331 HydrophobicContact CG1-CG 4Å; I303-R336 VanDerWaalsContact CG2-NH2 3.28Å
304N88.3Confident79.7Confident92 Ų9257.2 Ų57.249%0.49231%0.308SS..Hα-helixtrans-62.2-39.3179.9-70.1-20.8000111.4L300 E301 L302 L306 D307 G308L300-N304 WeakPolarHBondContact O-CB 3.42Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 3.31Å; E301-N304 PolarHBondContact O-N 2.87Å; E301-N304 VanDerWaalsContact O-N 3.16Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 2.95Å; N304-L306 VanDerWaalsContact C-N 3.31Å; N304-D307 PolarHBondContact O-N 3.35Å; N304-G308 PolarHBondContact O-N 3.45Å
305Q87.4Confident79.9Confident29 Ų2956.6 Ų56.614%0.13631%0.305CS..Hα-helixtrans-70.9-25.5173.8-61.9-55.9-31.700112.9V257 F261 R265 E301 L302 I303V257-Q305 HydrophobicContact CG1-CG 4.31Å; F261-Q305 HydrophobicContact CB-CB 4.39Å; F261-Q305 HydrophobicContact CB-CG 4.38Å; F261-Q305 HydrophobicContact CD1-CB 4.2Å; F261-Q305 HydrophobicContact CD2-CB 3.56Å; F261-Q305 HydrophobicContact CD2-CG 3.91Å; F261-Q305 HydrophobicContact CE1-CB 4.43Å; F261-Q305 HydrophobicContact CE2-CB 3.83Å; F261-Q305 HydrophobicContact CG-CB 3.78Å; F261-Q305 HydrophobicContact CG-CG 4.2Å; F261-Q305 HydrophobicContact CZ-CB 4.25Å; R265-Q305 VanDerWaalsContact NH2-OE1 3.11Å; E301-Q305 WeakPolarHBondContact O-CG 3.46Å; E301-Q305 PolarHBondContact O-N 3.41Å; E301-Q305 PolarHBondContact OE1-NE2 3.27Å; L302-Q305 PolarHBondContact O-N 3.41Å; L302-Q305 VanDerWaalsContact O-N 3.16Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 3.49Å
306L85.6Confident80Confident2 Ų255.7 Ų55.71%0.0130%0.298CS..Hα-helixtrans-74.2-35.7173.3-63.3178.7000112.9F261 L302 I303 N304 R312 V317 M319 L331 R336F261-L306 HydrophobicContact CZ-CD2 4Å; L302-L306 HydrophobicContact CD1-CG 4.47Å; L302-L306 HydrophobicContact CG-CD1 4.5Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.47Å; I303-L306 WeakPolarHBondContact O-CA 3.36Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.12Å; N304-L306 VanDerWaalsContact C-N 3.31Å; L306-R312 VanDerWaalsContact CA-CZ 3.45Å; L306-R312 WeakPolarHBondContact O-CD 3.37Å; L306-R312 PolarHBondContact O-NE 3.29Å; L306-R312 PolarHBondContact O-NH1 3.12Å; L306-V317 HydrophobicContact CD2-CB 4.42Å; L306-V317 HydrophobicContact CD2-CG1 4.21Å; L306-V317 HydrophobicContact CD2-CG2 4.02Å; L306-M319 HydrophobicContact CD1-CE 3.78Å; L306-M319 HydrophobicContact CD2-CE 4.18Å; L306-L331 HydrophobicContact CD1-CD2 3.85Å; L306-R336 HydrophobicContact CB-CB 4.41Å; L306-R336 HydrophobicContact CB-CG 4.22Å; L306-R336 HydrophobicContact CD1-CB 4.35Å
307D79.2Confident80.3Confident79 Ų7953.6 Ų53.642%0.42229%0.289SS..Hα-helixtrans-88.9-17.9-177-94.66.5000114.9I303 N304 R336I303-D307 PolarHBondContact O-N 3.43Å; N304-D307 PolarHBondContact O-N 3.35Å; D307-R336 WeakPolarHBondContact OD1-CD 3.24Å; D307-R336 WeakPolarHBondContact OD1-CG 3.39Å; D307-R336 IonicContact OD1-CZ 2.67Å; D307-R336 IonicContact OD1-NE 3.38Å; D307-R336 PolarHBondContact OD1-NE 2.92Å; D307-R336 IonicContact OD1-NH2 3.96Å; D307-R336 IonicContact OD2-CZ 3.6Å; D307-R336 VanDerWaalsContact OD2-CZ 3.23Å; D307-R336 IonicContact OD2-NE 3.21Å; D307-R336 PolarHBondContact OD2-NE 3.29Å; D307-R336 VanDerWaalsContact OD2-NE 3.12Å; D307-R336 IonicContact OD2-NH2 3.8Å; D307-R336 PolarHBondContact OD2-NH2 3.03Å
308G67.8Low80.5Confident25 Ų2547.5 Ų47.526%0.25827%0.266SS..  trans-36.2137.5-167.600000114.6N304 D310N304-G308 PolarHBondContact O-N 3.45Å; G308-D310 PolarHBondContact O-N 3.01Å; G308-D310 VanDerWaalsContact O-N 3.12Å
309F54.8Low80.7Confident217 Ų21747.4 Ų47.495%0.95227%0.265SS*.SBendtrans-60.3-20.8-176.6-76.3-88000113.8
310D63.6Low80.9Confident113 Ų11347.3 Ų47.360%0.60427%0.265SS*.SBendtrans-73.9134.7175.3-66.7-45.5000111.2G308 R312G308-D310 PolarHBondContact O-N 3.01Å; G308-D310 VanDerWaalsContact O-N 3.12Å; D310-R312 PolarHBondContact O-N 3.03Å
311P64.3Low81Confident121 Ų12143.8 Ų43.879%0.78625%0.246SC*.  trans-55.5121.5171.723.8-31.5000108.2G313P311-G313 PolarHBondContact O-N 3Å
312R62.9Low81Confident30 Ų3044.3 Ų44.311%0.11325%0.25CC..  trans-68.119.8-167.7-62.7176.281.2-162.6-10.6114.6L306 D310 I315L306-R312 VanDerWaalsContact CA-CZ 3.45Å; L306-R312 WeakPolarHBondContact O-CD 3.37Å; L306-R312 PolarHBondContact O-NE 3.29Å; L306-R312 PolarHBondContact O-NH1 3.12Å; D310-R312 PolarHBondContact O-N 3.03Å; R312-I315 WeakPolarHBondContact O-CB 3.28Å; R312-I315 WeakPolarHBondContact O-CG1 3.18Å; R312-I315 PolarHBondContact O-N 2.93Å
313G68.1Low80.9Confident60 Ų6047.8 Ų47.862%0.61926%0.263SS*.THydrogen-bonded Turntrans47.7-142.9-175.500000111.6P311 I315P311-G313 PolarHBondContact O-N 3Å; G313-I315 VanDerWaalsContact C-N 3.3Å; G313-I315 PolarHBondContact O-N 3.37Å
314N77.5Confident80.8Confident96 Ų9648.7 Ų48.751%0.51327%0.269SS..THydrogen-bonded Turntrans-96.342.8173.9-61.5-31.8000111.6L195 K268 C270L195-N314 HydrophobicContact CD2-CB 4.46Å; K268-N314 WeakPolarHBondContact O-CB 3.27Å; K268-N314 PolarHBondContact O-ND2 3.2Å; C270-N314 PolarHBondContact N-O 3.41Å
315I85.8Confident80.7Confident11 Ų1147.9 Ų47.96%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-94.8121.2174.4-54.4170.8000108.3A264 R265 C270 I272 R312 G313A264-I315 HydrophobicContact CB-CD1 4.12Å; A264-I315 HydrophobicContact CB-CG2 4.43Å; R265-I315 HydrophobicContact CB-CD1 4.37Å; R265-I315 HydrophobicContact CG-CD1 3.62Å; C270-I315 WeakPolarHBondContact O-CA 3.45Å; I272-I315 HydrophobicContact CD1-CG2 3.78Å; I272-I315 HydrophobicContact CG1-CG2 4.16Å; R312-I315 WeakPolarHBondContact O-CB 3.28Å; R312-I315 WeakPolarHBondContact O-CG1 3.18Å; R312-I315 PolarHBondContact O-N 2.93Å; G313-I315 VanDerWaalsContact C-N 3.3Å; G313-I315 PolarHBondContact O-N 3.37Å
316K87.7Confident80.6Confident16 Ų1648 Ų487%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-109.5134.6174.6-63-57.1-175.3-173.50109.6P209 C270 L271 I272P209-K316 PolarHBondContact O-NZ 3.49Å; C270-K316 PolarHBondContact O-N 3.09Å; L271-K316 WeakPolarHBondContact CA-O 3.37Å; L271-K316 HydrophobicContact CD1-CB 3.67Å; I272-K316 PolarHBondContact N-O 3.19Å
317V90.3Very high80.7Confident2 Ų248.3 Ų48.31%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-110.7124.2179.2-1760000110K210 G211 V212 F261 I272 F274 L306 M319K210-V317 PolarHBondContact O-N 3.43Å; G211-V317 VanDerWaalsContact CA-O 3.27Å; G211-V317 WeakPolarHBondContact CA-O 3.24Å; V212-V317 PolarHBondContact N-O 3.24Å; F261-V317 HydrophobicContact CE1-CG2 4.23Å; F261-V317 HydrophobicContact CZ-CG2 4.36Å; I272-V317 WeakPolarHBondContact O-CA 3.44Å; F274-V317 HydrophobicContact CD2-CG1 3.79Å; F274-V317 HydrophobicContact CE2-CG1 3.8Å; L306-V317 HydrophobicContact CD2-CB 4.42Å; L306-V317 HydrophobicContact CD2-CG1 4.21Å; L306-V317 HydrophobicContact CD2-CG2 4.02Å; V317-M319 HydrophobicContact CG1-CE 3.81Å; V317-M319 HydrophobicContact CG1-CG 4.06Å
318L91.6Very high81Confident0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-109.9130.9170-77.1159.4000108.3L187 V191 V212 L271 I272 F273 F274L187-L318 HydrophobicContact CD1-CD2 3.51Å; V191-L318 HydrophobicContact CG2-CD1 4.42Å; V191-L318 HydrophobicContact CG2-CD2 4.25Å; V191-L318 HydrophobicContact CG2-CG 4.4Å; V212-L318 HydrophobicContact CB-CD2 3.78Å; V212-L318 HydrophobicContact CG1-CD2 4.24Å; V212-L318 HydrophobicContact CG2-CD2 4.28Å; L271-L318 HydrophobicContact CD1-CD1 3.54Å; L271-L318 HydrophobicContact CD1-CG 4.06Å; L271-L318 HydrophobicContact CD2-CD1 3.71Å; L271-L318 HydrophobicContact CG-CD1 3.83Å; I272-L318 PolarHBondContact O-N 3.36Å; F273-L318 CarbonylContact C-O 3.55Å; F273-L318 WeakPolarHBondContact CA-O 3.41Å; F273-L318 HydrophobicContact CB-CB 4.49Å; F273-L318 HydrophobicContact CD2-CB 3.64Å; F273-L318 HydrophobicContact CE2-CB 4.43Å; F274-L318 PolarHBondContact N-O 2.89Å
319M92.8Very high81.9Confident1 Ų148.5 Ų48.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-121.7136174-61.6-169.2171.500109.4V212 L213 L214 F274 I277 L302 L306 V317 L337V212-M319 PolarHBondContact O-N 2.93Å; L213-M319 CarbonylContact C-O 3.45Å; L213-M319 HydrophobicContact CD1-CB 3.89Å; L214-M319 PolarHBondContact N-O 2.88Å; F274-M319 HydrophobicContact CB-CG 4.22Å; F274-M319 HydrophobicContact CD2-CE 3.95Å; F274-M319 HydrophobicContact CD2-CG 4.17Å; F274-M319 HydrophobicContact CE2-CE 4.25Å; F274-M319 CarbonylContact O-C 3.6Å; F274-M319 WeakPolarHBondContact O-CA 3.14Å; I277-M319 HydrophobicContact CG1-SD 4.21Å; I277-M319 HydrophobicContact CG2-CB 4.41Å; L302-M319 HydrophobicContact CD1-CE 4.41Å; L302-M319 HydrophobicContact CD2-CE 3.96Å; L302-M319 HydrophobicContact CG-CE 4.35Å; L306-M319 HydrophobicContact CD1-CE 3.78Å; L306-M319 HydrophobicContact CD2-CE 4.18Å; V317-M319 HydrophobicContact CG1-CE 3.81Å; V317-M319 HydrophobicContact CG1-CG 4.06Å; M319-L337 HydrophobicContact CG-CD2 4.18Å; M319-L337 HydrophobicContact SD-CD1 3.99Å; M319-L337 HydrophobicContact SD-CD2 3.91Å; M319-L337 HydrophobicContact SD-CG 4.46Å
320A92.8Very high83.3Confident0 Ų039.6 Ų39.60%024%0.236CC..EExtended strand (participates in β ladder)trans-116.6133172.700000110.6L214 K222 F273 F274 E276 I277L214-A320 HydrophobicContact CB-CB 4.39Å; L214-A320 CarbonylContact O-C 3.46Å; L214-A320 WeakPolarHBondContact O-CA 3.42Å; K222-A320 HydrophobicContact CB-CB 4.44Å; F273-A320 HydrophobicContact CE2-CB 3.83Å; F273-A320 HydrophobicContact CZ-CB 3.81Å; F274-A320 PolarHBondContact O-N 2.73Å; E276-A320 PolarHBondContact N-O 3.15Å; I277-A320 WeakPolarHBondContact CG2-O 3.5Å; I277-A320 PolarHBondContact N-O 2.85Å
321T91.6Very high84.2Confident1 Ų134.3 Ų34.31%0.00621%0.208CC..  trans-133.8151.9172.8-175.20000110.8L213 L214 F215 K222 R323 P324 L327L213-T321 HydrophobicContact CD1-CG2 4.07Å; L214-T321 PolarHBondContact O-N 3.25Å; F215-T321 WeakPolarHBondContact CA-O 3.5Å; F215-T321 HydrophobicContact CB-CG2 3.64Å; K222-T321 WeakPolarHBondContact CE-O 3.32Å; T321-R323 PolarHBondContact OG1-N 3.03Å; T321-R323 PolarHBondContact OG1-O 3.45Å; T321-P324 HydrophobicContact CG2-CB 4.4Å; T321-L327 HydrophobicContact CG2-CD1 3.81Å
322N90.6Very high85.1Confident29 Ų2930.6 Ų30.616%0.15518%0.181CC..SBendtrans-93.8-16.4166.7-63.5-50000112.4K222 Y429 N433K222-N322 VanDerWaalsContact CE-OD1 3.32Å; K222-N322 WeakPolarHBondContact CE-OD1 3.28Å; K222-N322 PolarHBondContact NZ-OD1 2.95Å; N322-Y429 HydrophobicContact CB-CD1 4.22Å; N322-Y429 HydrophobicContact CB-CE1 4.08Å; N322-N433 PolarHBondContact O-ND2 3.14Å; N322-N433 VanDerWaalsContact O-ND2 3.15Å; N322-N433 PolarHBondContact O-OD1 3.27Å
323R87.5Confident86.2Confident73 Ų7337.2 Ų37.228%0.27521%0.205SC..  trans-135.491.5-170.7-72.7-167.770.1-172.8-1.1109.3T321 D325 T326 Y429T321-R323 PolarHBondContact OG1-N 3.03Å; T321-R323 PolarHBondContact OG1-O 3.45Å; R323-D325 WeakPolarHBondContact CA-OD1 3.29Å; R323-D325 VanDerWaalsContact CB-OD1 3.23Å; R323-D325 WeakPolarHBondContact CB-OD1 3.41Å; R323-D325 IonicContact CZ-OD2 2.72Å; R323-D325 IonicContact NE-OD1 3.12Å; R323-D325 PolarHBondContact NE-OD1 2.83Å; R323-D325 IonicContact NE-OD2 3.75Å; R323-D325 IonicContact NH2-OD1 3.64Å; R323-D325 IonicContact NH2-OD2 2.62Å; R323-D325 PolarHBondContact NH2-OD2 3.45Å; R323-D325 PolarHBondContact O-N 3.46Å; R323-T326 HydrophobicContact CB-CG2 4.28Å; R323-T326 VanDerWaalsContact CZ-CG2 3.41Å; R323-T326 PolarHBondContact O-OG1 3.22Å; R323-T326 VanDerWaalsContact O-OG1 3.12Å; R323-Y429 HydrophobicContact CG-CD1 4.11Å; R323-Y429 HydrophobicContact CG-CE1 3.86Å
324P87.1Confident86.7Confident26 Ų2639.5 Ų39.517%0.16921%0.21CC..SBendtrans-72.9-18.4175.831.1-35.1000112.1F215 T321 L327 Y432 N433F215-P324 HydrophobicContact CB-CB 4.34Å; F215-P324 HydrophobicContact CB-CG 4.46Å; F215-P324 HydrophobicContact CD2-CB 4.37Å; F215-P324 HydrophobicContact CD2-CG 3.98Å; F215-P324 HydrophobicContact CG-CB 4.44Å; F215-P324 HydrophobicContact CG-CG 4.47Å; T321-P324 HydrophobicContact CG2-CB 4.4Å; P324-L327 PolarHBondContact O-N 2.91Å; P324-Y432 WeakPolarHBondContact CD-O 3.48Å; P324-Y432 WeakPolarHBondContact CG-O 3.44Å; P324-N433 WeakPolarHBondContact CD-OD1 3.2Å
325D86.3Confident86.7Confident75 Ų7536.7 Ų36.740%0.40120%0.203SC..THydrogen-bonded Turntrans-66.2-33.3178.163.5-53.8000113.4R323 L327 Y432R323-D325 WeakPolarHBondContact CA-OD1 3.29Å; R323-D325 VanDerWaalsContact CB-OD1 3.23Å; R323-D325 WeakPolarHBondContact CB-OD1 3.41Å; R323-D325 IonicContact CZ-OD2 2.72Å; R323-D325 IonicContact NE-OD1 3.12Å; R323-D325 PolarHBondContact NE-OD1 2.83Å; R323-D325 IonicContact NE-OD2 3.75Å; R323-D325 IonicContact NH2-OD1 3.64Å; R323-D325 IonicContact NH2-OD2 2.62Å; R323-D325 PolarHBondContact NH2-OD2 3.45Å; R323-D325 PolarHBondContact O-N 3.46Å; D325-L327 VanDerWaalsContact C-N 3.31Å; D325-Y432 HydrophobicContact CB-CD1 4.24Å; D325-Y432 VanDerWaalsContact CG-CD1 3.48Å; D325-Y432 VanDerWaalsContact OD2-CD1 3.24Å; D325-Y432 WeakPolarHBondContact OD2-CD1 3.45Å
326T85.4Confident86.6Confident30 Ų3037.1 Ų37.118%0.18420%0.204CC..THydrogen-bonded Turntrans-81.9-11.8-179.355.50000113G282 A283 R323G282-T326 CarbonylContact C-O 3.54Å; G282-T326 VanDerWaalsContact CA-O 3.26Å; G282-T326 WeakPolarHBondContact CA-O 3.03Å; A283-T326 PolarHBondContact N-O 3.41Å; R323-T326 HydrophobicContact CB-CG2 4.28Å; R323-T326 VanDerWaalsContact CZ-CG2 3.41Å; R323-T326 PolarHBondContact O-OG1 3.22Å; R323-T326 VanDerWaalsContact O-OG1 3.12Å
327L86.6Confident86.4Confident9 Ų936.5 Ų36.55%0.04720%0.201CC..BIsolated β-bridgetrans-74138.1-176-64.4-178.7000112.1L213 I277 G281 T321 P324 D325 M332L213-L327 HydrophobicContact CD1-CD1 4.17Å; L213-L327 HydrophobicContact CD2-CD1 4.18Å; I277-L327 HydrophobicContact CG2-CD2 3.91Å; G281-L327 CarbonylContact O-C 3.6Å; G281-L327 VanDerWaalsContact O-CA 3.31Å; G281-L327 WeakPolarHBondContact O-CA 3.41Å; T321-L327 HydrophobicContact CG2-CD1 3.81Å; P324-L327 PolarHBondContact O-N 2.91Å; D325-L327 VanDerWaalsContact C-N 3.31Å; L327-M332 HydrophobicContact CD1-SD 4.5Å
328D86.8Confident86.1Confident13 Ų1339.3 Ų39.37%0.0722%0.216CC..  trans-59.3128.2173.8-169-66.2000110.5G281 R284 M299 A330 L331G281-D328 PolarHBondContact O-N 3.24Å; R284-D328 IonicContact NE-OD2 3.11Å; M299-D328 HydrophobicContact CE-CB 4.13Å; M299-D328 HydrophobicContact SD-CB 3.6Å; M299-D328 VanDerWaalsContact SD-CB 3.6Å; D328-A330 PolarHBondContact O-N 3.06Å; D328-A330 WeakPolarHBondContact OD1-CA 3.37Å; D328-A330 WeakPolarHBondContact OD1-CB 3.45Å; D328-A330 PolarHBondContact OD1-N 3.44Å; D328-L331 PolarHBondContact O-N 3.43Å
329P84.8Confident85.9Confident95 Ų9546 Ų4662%0.61724%0.241SC*.THydrogen-bonded Turntrans-55.1-23.8178.8-27.334.9000114.2L331 M332 R333P329-L331 VanDerWaalsContact C-N 3.35Å; P329-M332 PolarHBondContact O-N 3.24Å; P329-R333 PolarHBondContact O-N 3.25Å
330A84.8Confident85.9Confident31 Ų3150.8 Ų50.826%0.25626%0.262SS..THydrogen-bonded Turntrans-63.8-39175.700000111.5I303 D328 M332 R333 R336I303-A330 HydrophobicContact CD1-CB 3.96Å; D328-A330 PolarHBondContact O-N 3.06Å; D328-A330 WeakPolarHBondContact OD1-CA 3.37Å; D328-A330 WeakPolarHBondContact OD1-CB 3.45Å; D328-A330 PolarHBondContact OD1-N 3.44Å; A330-M332 VanDerWaalsContact C-N 3.26Å; A330-M332 PolarHBondContact O-N 3.32Å; A330-R333 WeakPolarHBondContact O-CB 3.38Å; A330-R333 PolarHBondContact O-N 3.31Å; A330-R336 WeakPolarHBondContact O-CD 3.49Å; A330-R336 PolarHBondContact O-NH1 3.08Å
331L83.8Confident85.8Confident2 Ų251 Ų511%0.0126%0.264CS..THydrogen-bonded Turntrans-64.6-35.2174.8-73.6169.5000111.3M299 I303 L306 D328 P329 R333 L337M299-L331 HydrophobicContact CG-CD1 4.31Å; I303-L331 HydrophobicContact CD1-CD2 4.17Å; I303-L331 HydrophobicContact CD1-CG 4.12Å; I303-L331 HydrophobicContact CG1-CD2 3.49Å; I303-L331 VanDerWaalsContact CG1-CD2 3.49Å; I303-L331 HydrophobicContact CG1-CG 4Å; L306-L331 HydrophobicContact CD1-CD2 3.85Å; D328-L331 PolarHBondContact O-N 3.43Å; P329-L331 VanDerWaalsContact C-N 3.35Å; L331-R333 PolarHBondContact O-N 3.02Å; L331-L337 HydrophobicContact CB-CD1 4.29Å; L331-L337 WeakPolarHBondContact O-CD1 3.29Å
332M82.4Confident85.7Confident43 Ų4355.7 Ų55.721%0.21229%0.285CS..THydrogen-bonded Turntrans-76.6-3.6-176.7-66.7-62.4-88.100114.8L213 L327 P329 A330 K340L213-M332 HydrophobicContact CD2-CE 3.73Å; L213-M332 HydrophobicContact CD2-SD 3.33Å; L213-M332 WeakPolarHBondContact CD2-SD 3.25Å; L327-M332 HydrophobicContact CD1-SD 4.5Å; P329-M332 PolarHBondContact O-N 3.24Å; A330-M332 VanDerWaalsContact C-N 3.26Å; A330-M332 PolarHBondContact O-N 3.32Å; M332-K340 HydrophobicContact CE-CD 3.84Å; M332-K340 PolarHBondContact O-NZ 3.28Å
333R85.6Confident85.7Confident168 Ų16854.4 Ų54.463%0.63428%0.278SS*.SBendtrans-70.7136.4-179.6-173.5178-102.7-176.5-5.1110.9P329 A330 L331 R336P329-R333 PolarHBondContact O-N 3.25Å; A330-R333 WeakPolarHBondContact O-CB 3.38Å; A330-R333 PolarHBondContact O-N 3.31Å; L331-R333 PolarHBondContact O-N 3.02Å; R333-R336 PolarHBondContact O-N 2.79Å
334P79.6Confident85.8Confident109 Ų10953.4 Ų53.471%0.70828%0.282SS*.THydrogen-bonded Turntrans-55.4141.4171.4-23.833.7000111.8
335G76.2Confident85.8Confident36 Ų3653 Ų5337%0.37128%0.279SS..THydrogen-bonded Turntrans106.4-21-17300000113.9D338G335-D338 VanDerWaalsContact CA-OD1 3.32Å; G335-D338 WeakPolarHBondContact CA-OD1 3.49Å; G335-D338 PolarHBondContact N-OD1 2.92Å
336R84.4Confident86Confident21 Ų2149.9 Ų49.98%0.07926%0.263CS..THydrogen-bonded Turntrans-110.8-61.2176.5-61170.7-170.8-177.6-5.7111.2G211 I303 L306 D307 A330 R333G211-R336 WeakPolarHBondContact CA-O 3.36Å; G211-R336 PolarHBondContact N-O 3.37Å; I303-R336 VanDerWaalsContact CG2-NH2 3.28Å; L306-R336 HydrophobicContact CB-CB 4.41Å; L306-R336 HydrophobicContact CB-CG 4.22Å; L306-R336 HydrophobicContact CD1-CB 4.35Å; D307-R336 WeakPolarHBondContact OD1-CD 3.24Å; D307-R336 WeakPolarHBondContact OD1-CG 3.39Å; D307-R336 IonicContact OD1-CZ 2.67Å; D307-R336 IonicContact OD1-NE 3.38Å; D307-R336 PolarHBondContact OD1-NE 2.92Å; D307-R336 IonicContact OD1-NH2 3.96Å; D307-R336 IonicContact OD2-CZ 3.6Å; D307-R336 VanDerWaalsContact OD2-CZ 3.23Å; D307-R336 IonicContact OD2-NE 3.21Å; D307-R336 PolarHBondContact OD2-NE 3.29Å; D307-R336 VanDerWaalsContact OD2-NE 3.12Å; D307-R336 IonicContact OD2-NH2 3.8Å; D307-R336 PolarHBondContact OD2-NH2 3.03Å; A330-R336 WeakPolarHBondContact O-CD 3.49Å; A330-R336 PolarHBondContact O-NH1 3.08Å; R333-R336 PolarHBondContact O-N 2.79Å
337L84Confident86.2Confident3 Ų354.1 Ų54.12%0.01628%0.284CS..SBendtrans-114.980.7177.5-64.8175.9000108.6L213 M319 L331L213-L337 HydrophobicContact CB-CD1 4.27Å; L213-L337 HydrophobicContact CD1-CD1 4.43Å; M319-L337 HydrophobicContact CG-CD2 4.18Å; M319-L337 HydrophobicContact SD-CD1 3.99Å; M319-L337 HydrophobicContact SD-CD2 3.91Å; M319-L337 HydrophobicContact SD-CG 4.46Å; L331-L337 HydrophobicContact CB-CD1 4.29Å; L331-L337 WeakPolarHBondContact O-CD1 3.29Å
338D82.9Confident86.4Confident61 Ų6156.5 Ų56.533%0.32630%0.297SS..  trans-71.4-33-173.4-60-39.6000112.4P209 K210 G211 G335P209-D338 HydrophobicContact CB-CB 3.97Å; K210-D338 PolarHBondContact N-OD2 3.5Å; G211-D338 PolarHBondContact O-N 3.46Å; G335-D338 VanDerWaalsContact CA-OD1 3.32Å; G335-D338 WeakPolarHBondContact CA-OD1 3.49Å; G335-D338 PolarHBondContact N-OD1 2.92Å
339R88.8Confident86.6Confident139 Ų13963.4 Ų63.453%0.52533%0.328SS..EExtended strand (participates in β ladder)trans-116.7123.7-176.1-67-65.8-166174.63.7110.9V190 P209 G211 V212 L213V190-R339 HydrophobicContact CG2-CB 4.1Å; V190-R339 HydrophobicContact CG2-CG 3.66Å; P209-R339 HydrophobicContact CB-CG 4.2Å; P209-R339 HydrophobicContact CG-CG 4.48Å; G211-R339 PolarHBondContact O-N 3.38Å; V212-R339 CarbonylContact C-O 3.58Å; V212-R339 VanDerWaalsContact CA-O 3.28Å; V212-R339 WeakPolarHBondContact CA-O 3.22Å; V212-R339 HydrophobicContact CG1-CB 4.48Å; V212-R339 HydrophobicContact CG2-CB 4.34Å; L213-R339 PolarHBondContact N-O 2.95Å
340K90.9Very high86.9Confident103 Ų10359.1 Ų59.145%0.44830%0.302SS..EExtended strand (participates in β ladder)trans-109.6116.9176.5-61.2174-176174.10107.1L213 F215 M332L213-K340 HydrophobicContact CB-CG 4.48Å; F215-K340 HydrophobicContact CE1-CB 4.02Å; M332-K340 HydrophobicContact CE-CD 3.84Å; M332-K340 PolarHBondContact O-NZ 3.28Å
341I91.5Very high87.3Confident5 Ų559.1 Ų59.13%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-113.5112.6-179.4-56.8178000107.4Q183 K186 L187 V212 L213 L214 F215 F343Q183-I341 HydrophobicContact CB-CG2 3.75Å; Q183-I341 HydrophobicContact CG-CG2 3.94Å; K186-I341 HydrophobicContact CB-CD1 3.89Å; K186-I341 HydrophobicContact CB-CG1 4.28Å; L187-I341 HydrophobicContact CB-CD1 4Å; L187-I341 HydrophobicContact CD1-CD1 4.12Å; V212-I341 HydrophobicContact CG1-CD1 3.61Å; V212-I341 HydrophobicContact CG1-CG1 3.93Å; L213-I341 PolarHBondContact O-N 2.92Å; L214-I341 HydrophobicContact CD2-CB 3.96Å; L214-I341 HydrophobicContact CD2-CD1 4.16Å; L214-I341 HydrophobicContact CD2-CG1 4.5Å; L214-I341 HydrophobicContact CD2-CG2 4.43Å; F215-I341 PolarHBondContact N-O 3.49Å; F215-I341 VanDerWaalsContact N-O 3.15Å; I341-F343 HydrophobicContact CG2-CD2 4.47Å; I341-F343 HydrophobicContact CG2-CE2 4.1Å
342E90.8Very high87.8Confident99 Ų9959.9 Ų59.946%0.46330%0.3SS..EExtended strand (participates in β ladder)trans-83.3127.3175.1-170-176.7156.300110.2Q183 F215Q183-E342 VanDerWaalsContact CG-O 3.28Å; Q183-E342 WeakPolarHBondContact CG-O 3.47Å; F215-E342 HydrophobicContact CD2-CG 4.27Å; F215-E342 HydrophobicContact CE1-CB 3.97Å; F215-E342 HydrophobicContact CE2-CB 3.84Å; F215-E342 HydrophobicContact CE2-CG 3.58Å; F215-E342 HydrophobicContact CZ-CB 3.48Å; F215-E342 VanDerWaalsContact CZ-CB 3.48Å; F215-E342 HydrophobicContact CZ-CG 3.78Å
343F90.4Very high88.2Confident1 Ų161.9 Ų61.90%0.00431%0.309CS..  trans-97.497.3169.5-78.6-93.4000109.4C180 Q183 L214 F215 P217 T220 K222 C225 I341C180-F343 HydrophobicContact CB-CE1 4.32Å; Q183-F343 HydrophobicContact CB-CE1 4.17Å; Q183-F343 HydrophobicContact CB-CZ 4.29Å; L214-F343 HydrophobicContact CB-CD2 4.27Å; L214-F343 HydrophobicContact CB-CE2 3.91Å; L214-F343 HydrophobicContact CD1-CE2 4.2Å; L214-F343 HydrophobicContact CD2-CE2 3.63Å; L214-F343 HydrophobicContact CD2-CZ 4.39Å; L214-F343 HydrophobicContact CG-CE2 4.1Å; F215-F343 PolarHBondContact O-N 3.35Å; P217-F343 WeakPolarHBondContact CD-O 3.24Å; T220-F343 WeakPolarHBondContact OG1-CB 3.38Å; K222-F343 HydrophobicContact CD-CD2 4.39Å; K222-F343 HydrophobicContact CG-CB 4.28Å; K222-F343 HydrophobicContact CG-CD2 3.76Å; K222-F343 HydrophobicContact CG-CE2 4.22Å; K222-F343 HydrophobicContact CG-CG 3.96Å; C225-F343 HydrophobicContact CB-CE1 4.45Å; C225-F343 HydrophobicContact CB-CZ 4.03Å; C225-F343 WeakPolarHBondContact SG-CE1 3.22Å; I341-F343 HydrophobicContact CG2-CD2 4.47Å; I341-F343 HydrophobicContact CG2-CE2 4.1Å
344S87.7Confident88.6Confident52 Ų5254.5 Ų54.536%0.36428%0.282SS..PPolyproline II helixtrans-76.1172.2171.959.80000111.7
345L88.5Confident89.3Confident17 Ų1749.3 Ų49.39%0.08925%0.248CC..PPolyproline II helixtrans-63.9146.6167.8-66.2176.3000110.2P217 N379 T381 T426 M430P217-L345 HydrophobicContact CG-CD2 4.32Å; L345-N379 HydrophobicContact CD1-CB 3.83Å; L345-T381 HydrophobicContact CD2-CG2 3.67Å; L345-T426 HydrophobicContact CD1-CG2 4.05Å; L345-T426 HydrophobicContact CD2-CG2 3.95Å; L345-M430 HydrophobicContact CD1-CE 3.25Å; L345-M430 HydrophobicContact CD1-SD 4Å; L345-M430 HydrophobicContact CG-CE 3.82Å
346P89.6Confident90Very high10 Ų1053.3 Ų53.37%0.06526%0.255CS..PPolyproline II helixtrans-69.1139.5-179.327.5-34.7000112R351 I354 S380P346-R351 HydrophobicContact CB-CG 4.04Å; P346-R351 HydrophobicContact CG-CG 3.77Å; P346-R351 PolarHBondContact O-NH1 3.17Å; P346-I354 HydrophobicContact CB-CD1 3.99Å; P346-I354 HydrophobicContact CG-CD1 4.02Å; P346-S380 WeakPolarHBondContact CD-O 3.25Å; P346-S380 WeakPolarHBondContact CG-O 3.49Å
347D90.6Very high90.4Very high119 Ų11953.8 Ų53.864%0.63626%0.259SS*.PPolyproline II helixtrans-65171.5171.4-65.7-39.6000112.3E349 G350 R351D347-E349 VanDerWaalsContact C-N 3.3Å; D347-E349 PolarHBondContact O-N 3.11Å; D347-G350 CarbonylContact O-C 3.56Å; D347-G350 WeakPolarHBondContact O-CA 3.03Å; D347-G350 PolarHBondContact O-N 3.13Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 3.19Å
348L91.1Very high90.8Very high60 Ų6056 Ų5631%0.31427%0.269SS..Hα-helixtrans-53.1-48.2178.4-177.368.7000112G350 R351 T352 A374 R375L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 3.03Å; L348-R351 PolarHBondContact O-N 3.35Å; L348-T352 PolarHBondContact O-N 3.34Å; L348-T352 PolarHBondContact O-OG1 2.84Å; L348-A374 HydrophobicContact CD1-CB 3.77Å; L348-R375 HydrophobicContact CD1-CB 4.37Å; L348-R375 HydrophobicContact CD1-CG 3.62Å; L348-R375 HydrophobicContact CD2-CG 4.19Å
349E91.1Very high91.1Very high157 Ų15753.4 Ų53.473%0.73426%0.256SS*.Hα-helixtrans-63.1-40.2176.4-63-170172.900111.9D347 T352 H353D347-E349 VanDerWaalsContact C-N 3.3Å; D347-E349 PolarHBondContact O-N 3.11Å; E349-T352 PolarHBondContact O-N 3.43Å; E349-H353 PolarHBondContact O-N 2.87Å
350G91.2Very high91.1Very high6 Ų657.2 Ų57.26%0.06227%0.271CS..Hα-helixtrans-61.1-44.6176.700000112.1G179 D347 L348 H353 I354G179-G350 VanDerWaalsContact CA-CA 3.44Å; D347-G350 CarbonylContact O-C 3.56Å; D347-G350 WeakPolarHBondContact O-CA 3.03Å; D347-G350 PolarHBondContact O-N 3.13Å; L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 3.03Å; G350-H353 WeakPolarHBondContact O-CB 3.43Å; G350-H353 PolarHBondContact O-N 3.11Å; G350-I354 VanDerWaalsContact O-CG1 3.29Å; G350-I354 WeakPolarHBondContact O-CG1 3.46Å; G350-I354 PolarHBondContact O-N 3.44Å
351R92.9Very high91Very high30 Ų3057.4 Ų57.411%0.11329%0.285CS..Hα-helixtrans-62.2-44.6175.2-66.6-165.5-64.9-91.38.8111.7P346 D347 L348 H353 I354 F355 A374 C377 I385P346-R351 HydrophobicContact CB-CG 4.04Å; P346-R351 HydrophobicContact CG-CG 3.77Å; P346-R351 PolarHBondContact O-NH1 3.17Å; D347-R351 WeakPolarHBondContact O-CG 3.49Å; D347-R351 PolarHBondContact O-N 3.19Å; L348-R351 PolarHBondContact O-N 3.35Å; R351-H353 VanDerWaalsContact C-N 3.26Å; R351-H353 PolarHBondContact O-N 2.97Å; R351-I354 PolarHBondContact O-N 2.75Å; R351-F355 VanDerWaalsContact O-CD2 3.24Å; R351-F355 WeakPolarHBondContact O-CD2 3.47Å; R351-F355 PolarHBondContact O-N 3.05Å; R351-A374 HydrophobicContact CB-CB 3.92Å; R351-A374 PolarHBondContact NE-O 3.32Å; R351-A374 PolarHBondContact NH2-O 2.91Å; R351-C377 VanDerWaalsContact CD-O 3.31Å; R351-C377 WeakPolarHBondContact CD-O 3.47Å; R351-C377 PolarHBondContact NE-O 3.03Å; R351-I385 HydrophobicContact CB-CD1 3.82Å; R351-I385 HydrophobicContact CG-CD1 3.58Å
352T93.2Very high91Very high18 Ų1859.4 Ų59.411%0.1130%0.295CS..Hα-helixtrans-59-39.7174.3-60.40000111.6L348 E349 F355 K356 F370 A374L348-T352 PolarHBondContact O-N 3.34Å; L348-T352 PolarHBondContact O-OG1 2.84Å; E349-T352 PolarHBondContact O-N 3.43Å; T352-F355 PolarHBondContact O-N 2.78Å; T352-K356 HydrophobicContact CG2-CD 4.49Å; T352-K356 WeakPolarHBondContact O-CG 3.38Å; T352-K356 PolarHBondContact O-N 3.17Å; T352-F370 HydrophobicContact CG2-CB 3.99Å; T352-A374 WeakPolarHBondContact OG1-CB 3.43Å
353H92.2Very high91.1Very high85 Ų8558.7 Ų58.739%0.39430%0.301SS..Hα-helixtrans-65-44.4176.3-165.9-106.6000112.2G178 E349 G350 R351 F355 K356 I357G178-H353 WeakPolarHBondContact CA-ND1 3.37Å; E349-H353 PolarHBondContact O-N 2.87Å; G350-H353 WeakPolarHBondContact O-CB 3.43Å; G350-H353 PolarHBondContact O-N 3.11Å; R351-H353 VanDerWaalsContact C-N 3.26Å; R351-H353 PolarHBondContact O-N 2.97Å; H353-F355 VanDerWaalsContact C-N 3.34Å; H353-F355 PolarHBondContact O-N 2.92Å; H353-K356 WeakPolarHBondContact O-CB 3.31Å; H353-K356 PolarHBondContact O-N 3.21Å; H353-K356 VanDerWaalsContact O-N 3.13Å; H353-I357 WeakPolarHBondContact O-CG1 3.33Å; H353-I357 PolarHBondContact O-N 3.21Å
354I92.9Very high91.1Very high14 Ų1460.7 Ų60.77%0.07231%0.313CS..Hα-helixtrans-61-43177-63.9162.8000110.9P346 G350 R351 K356 I357 H358 I385P346-I354 HydrophobicContact CB-CD1 3.99Å; P346-I354 HydrophobicContact CG-CD1 4.02Å; G350-I354 VanDerWaalsContact O-CG1 3.29Å; G350-I354 WeakPolarHBondContact O-CG1 3.46Å; G350-I354 PolarHBondContact O-N 3.44Å; R351-I354 PolarHBondContact O-N 2.75Å; I354-K356 VanDerWaalsContact C-N 3.33Å; I354-K356 PolarHBondContact O-N 3.09Å; I354-I357 PolarHBondContact O-N 3.44Å; I354-H358 PolarHBondContact O-CD2 2.98Å; I354-H358 PolarHBondContact O-N 3.03Å; I354-H358 VanDerWaalsContact O-N 3.12Å; I354-I385 HydrophobicContact CB-CG2 4.23Å; I354-I385 HydrophobicContact CD1-CD1 4.3Å; I354-I385 HydrophobicContact CG2-CB 4.04Å; I354-I385 HydrophobicContact CG2-CD1 4.5Å; I354-I385 HydrophobicContact CG2-CG2 3.63Å
355F93.7Very high91.4Very high0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-58.7-43.6173.6-85.7-64.9000112.1R351 T352 H353 I357 H358 A359 F370 L373 A374 I385 V388 C389R351-F355 VanDerWaalsContact O-CD2 3.24Å; R351-F355 WeakPolarHBondContact O-CD2 3.47Å; R351-F355 PolarHBondContact O-N 3.05Å; T352-F355 PolarHBondContact O-N 2.78Å; H353-F355 VanDerWaalsContact C-N 3.34Å; H353-F355 PolarHBondContact O-N 2.92Å; F355-I357 PolarHBondContact O-N 2.74Å; F355-H358 PolarHBondContact O-N 3.43Å; F355-A359 WeakPolarHBondContact O-CB 3.4Å; F355-A359 PolarHBondContact O-N 3.1Å; F355-F370 HydrophobicContact CB-CB 4.31Å; F355-F370 HydrophobicContact CB-CD1 3.77Å; F355-F370 HydrophobicContact CB-CE1 4.49Å; F355-F370 HydrophobicContact CB-CG 4.28Å; F355-F370 HydrophobicContact CG-CD1 4.41Å; F355-L373 HydrophobicContact CE2-CB 4.22Å; F355-L373 HydrophobicContact CZ-CB 4.25Å; F355-A374 HydrophobicContact CD2-CB 4.45Å; F355-I385 HydrophobicContact CD1-CG2 3.7Å; F355-I385 HydrophobicContact CD2-CG2 3.84Å; F355-I385 HydrophobicContact CE1-CG2 3.65Å; F355-I385 HydrophobicContact CE2-CG1 4.35Å; F355-I385 HydrophobicContact CE2-CG2 3.79Å; F355-I385 HydrophobicContact CG-CG2 3.79Å; F355-I385 HydrophobicContact CZ-CB 4.49Å; F355-I385 HydrophobicContact CZ-CG1 4.42Å; F355-I385 HydrophobicContact CZ-CG2 3.69Å; F355-V388 HydrophobicContact CE1-CB 4.27Å; F355-V388 HydrophobicContact CE1-CG1 3.84Å; F355-V388 HydrophobicContact CZ-CG1 4.17Å; F355-C389 VanDerWaalsContact CD1-SG 3.59Å
356K92.2Very high91.3Very high120 Ų12074.1 Ų74.152%0.52236%0.358SS..Hα-helixtrans-63.4-40.2178-73.9175.21791800112.5T352 H353 I354 A359 R360 F370T352-K356 HydrophobicContact CG2-CD 4.49Å; T352-K356 WeakPolarHBondContact O-CG 3.38Å; T352-K356 PolarHBondContact O-N 3.17Å; H353-K356 WeakPolarHBondContact O-CB 3.31Å; H353-K356 PolarHBondContact O-N 3.21Å; H353-K356 VanDerWaalsContact O-N 3.13Å; I354-K356 VanDerWaalsContact C-N 3.33Å; I354-K356 PolarHBondContact O-N 3.09Å; K356-A359 PolarHBondContact O-N 3.22Å; K356-R360 PolarHBondContact O-N 3.47Å; K356-R360 VanDerWaalsContact O-N 3.11Å; K356-F370 HydrophobicContact CG-CD2 3.97Å; K356-F370 HydrophobicContact CG-CE2 4.39Å; K356-F370 HydrophobicContact CG-CG 4.41Å
357I92.4Very high91.2Very high31 Ų3179.8 Ų79.816%0.15939%0.388CS..Hα-helixtrans-60.3-51.8177.2-68.1165.6000109.9S175 H353 I354 F355 A359 R360S175-I357 WeakPolarHBondContact O-CD1 3.35Å; H353-I357 WeakPolarHBondContact O-CG1 3.33Å; H353-I357 PolarHBondContact O-N 3.21Å; I354-I357 PolarHBondContact O-N 3.44Å; F355-I357 PolarHBondContact O-N 2.74Å; I357-A359 PolarHBondContact O-N 3.13Å; I357-R360 WeakPolarHBondContact O-CB 3.44Å; I357-R360 PolarHBondContact O-N 3.36Å
358H91.6Very high91.2Very high48 Ų4874.7 Ų74.722%0.22236%0.361CS..Hα-helixtrans-72.7-27.7-179.1-67.2-46.4000113.4I354 F355 R360 S361 C389I354-H358 PolarHBondContact O-CD2 2.98Å; I354-H358 PolarHBondContact O-N 3.03Å; I354-H358 VanDerWaalsContact O-N 3.12Å; F355-H358 PolarHBondContact O-N 3.43Å; H358-R360 VanDerWaalsContact C-N 3.29Å; H358-R360 PolarHBondContact O-N 3.41Å; H358-S361 PolarHBondContact O-OG 3.07Å; H358-S361 VanDerWaalsContact O-OG 3.06Å; H358-C389 HydrophobicContact CB-CB 4.07Å
359A89.9Confident91.3Very high7 Ų778.5 Ų78.56%0.05837%0.371CS..Hα-helixtrans-70-25.3173.700000112.6F355 K356 I357 S361 M362 V364 F370F355-A359 WeakPolarHBondContact O-CB 3.4Å; F355-A359 PolarHBondContact O-N 3.1Å; K356-A359 PolarHBondContact O-N 3.22Å; I357-A359 PolarHBondContact O-N 3.13Å; A359-S361 VanDerWaalsContact C-N 3.27Å; A359-S361 PolarHBondContact O-N 3.24Å; A359-M362 PolarHBondContact O-N 2.84Å; A359-V364 HydrophobicContact CB-CG1 4.27Å; A359-V364 HydrophobicContact CB-CG2 4.39Å; A359-F370 HydrophobicContact CB-CE1 3.73Å; A359-F370 HydrophobicContact CB-CE2 4.45Å; A359-F370 HydrophobicContact CB-CZ 3.48Å; A359-F370 VanDerWaalsContact CB-CZ 3.48Å
360R89.3Confident91.4Very high220 Ų22072.7 Ų72.783%0.8334%0.343SS*.Hα-helixtrans-61.9-33.5179.9-172.7179.9178.5-172.4-0.3113K356 I357 H358 M362K356-R360 PolarHBondContact O-N 3.47Å; K356-R360 VanDerWaalsContact O-N 3.11Å; I357-R360 WeakPolarHBondContact O-CB 3.44Å; I357-R360 PolarHBondContact O-N 3.36Å; H358-R360 VanDerWaalsContact C-N 3.29Å; H358-R360 PolarHBondContact O-N 3.41Å; R360-M362 VanDerWaalsContact C-N 3.34Å
361S87.9Confident91.5Very high107 Ų10777.3 Ų77.375%0.74836%0.363SS*.THydrogen-bonded Turntrans-82.9-13.2176.860.90000113.2H358 A359H358-S361 PolarHBondContact O-OG 3.07Å; H358-S361 VanDerWaalsContact O-OG 3.06Å; A359-S361 VanDerWaalsContact C-N 3.27Å; A359-S361 PolarHBondContact O-N 3.24Å
362M91.3Very high91.4Very high46 Ų4678.9 Ų78.923%0.22737%0.374CS..SBendtrans-101.2149.4-176-67.2-178.465.600111.9A359 R360 V364 C389A359-M362 PolarHBondContact O-N 2.84Å; R360-M362 VanDerWaalsContact C-N 3.34Å; M362-V364 HydrophobicContact CB-CG1 4.04Å; M362-V364 PolarHBondContact O-N 2.96Å; M362-V364 VanDerWaalsContact O-N 3.13Å; M362-C389 VanDerWaalsContact CE-O 3.25Å; M362-C389 WeakPolarHBondContact CE-O 3.3Å; M362-C389 HydrophobicContact SD-CB 3.94Å
363S92.6Very high91.4Very high85 Ų8578 Ų7859%0.59437%0.369SS*.  trans-78.595.3168.2-66.70000109.6I403 A404S363-I403 WeakPolarHBondContact O-CA 3.41Å; S363-A404 PolarHBondContact O-N 3.03Å
364V91.8Very high91.4Very high43 Ų4374 Ų7426%0.26135%0.35SS..BIsolated β-bridgetrans-108149.6-179.1-69.30000111.9A359 M362 I368 F409A359-V364 HydrophobicContact CB-CG1 4.27Å; A359-V364 HydrophobicContact CB-CG2 4.39Å; M362-V364 HydrophobicContact CB-CG1 4.04Å; M362-V364 PolarHBondContact O-N 2.96Å; M362-V364 VanDerWaalsContact O-N 3.13Å; V364-I368 HydrophobicContact CB-CD1 3.83Å; V364-I368 HydrophobicContact CG1-CD1 4.18Å; V364-F409 HydrophobicContact CG1-CE2 4.11Å; V364-F409 HydrophobicContact CG1-CZ 4.14Å
365E92.6Very high91.4Very high94 Ų9480.7 Ų80.744%0.43937%0.374SS..  trans-63.6146.2169.5-175.6168.7-150.300111D367 I368 I403 A404E365-D367 VanDerWaalsContact C-N 3.25Å; E365-D367 PolarHBondContact O-N 3.03Å; E365-I368 HydrophobicContact CB-CD1 4.28Å; E365-I368 HydrophobicContact CB-CG1 4.05Å; E365-I368 WeakPolarHBondContact O-CG1 3.36Å; E365-I403 HydrophobicContact CB-CG2 4.27Å; E365-A404 PolarHBondContact N-O 3.27Å; E365-A404 VanDerWaalsContact N-O 3.13Å
366R87.3Confident91.3Very high256 Ų25684.6 Ų84.697%0.96640%0.395SS*.THydrogen-bonded Turntrans-68.5-24.3-176.7-69.9-175.2177.3-177.3-0.6113.4
367D87.9Confident91.1Very high129 Ų12978.9 Ų78.969%0.6937%0.37SS*.THydrogen-bonded Turntrans-95.519-173.8-156.320.7000113.2E365 R369E365-D367 VanDerWaalsContact C-N 3.25Å; E365-D367 PolarHBondContact O-N 3.03Å; D367-R369 PolarHBondContact O-N 3.45Å
368I90.6Very high90.9Very high13 Ų1381.1 Ų81.17%0.06739%0.386CS..  trans-75.8122177.6-61.3-176.8000110.4V364 E365 F370 L373 F409V364-I368 HydrophobicContact CB-CD1 3.83Å; V364-I368 HydrophobicContact CG1-CD1 4.18Å; E365-I368 HydrophobicContact CB-CD1 4.28Å; E365-I368 HydrophobicContact CB-CG1 4.05Å; E365-I368 WeakPolarHBondContact O-CG1 3.36Å; I368-F370 HydrophobicContact CB-CE1 4.48Å; I368-F370 HydrophobicContact CB-CZ 4.3Å; I368-F370 HydrophobicContact CG2-CD1 4.02Å; I368-F370 HydrophobicContact CG2-CE1 3.76Å; I368-F370 HydrophobicContact CG2-CZ 4.07Å; I368-F370 PolarHBondContact O-N 2.88Å; I368-L373 HydrophobicContact CG2-CD1 3.96Å; I368-F409 HydrophobicContact CD1-CD2 3.92Å; I368-F409 HydrophobicContact CD1-CE2 3.68Å
369R93.3Very high90.6Very high140 Ų14084.2 Ų84.253%0.52840%0.404SS..  trans-89.988.2178-62.5172.4-65.5-171.5-8.9110.9D367 E371 L372 L373 E406D367-R369 PolarHBondContact O-N 3.45Å; R369-E371 PolarHBondContact O-N 2.93Å; R369-E371 VanDerWaalsContact O-N 3.16Å; R369-L372 HydrophobicContact CB-CB 4.09Å; R369-L372 WeakPolarHBondContact O-CB 3.42Å; R369-L372 PolarHBondContact O-N 3.04Å; R369-L373 PolarHBondContact O-N 3.25Å; R369-E406 IonicContact CZ-OE1 3.61Å; R369-E406 IonicContact CZ-OE2 3.79Å; R369-E406 IonicContact NE-OE1 2.8Å; R369-E406 PolarHBondContact NE-OE1 3.03Å; R369-E406 IonicContact NE-OE2 3.18Å; R369-E406 IonicContact NH2-OE1 3.51Å; R369-E406 PolarHBondContact NH2-OE1 3.33Å; R369-E406 IonicContact NH2-OE2 3.51Å; R369-E406 PolarHBondContact NH2-OE2 3.37Å
370F92.8Very high90.5Very high34 Ų3483.9 Ų83.915%0.14940%0.402CS..Hα-helixtrans-60.2-25.1177.8-61.6-65.3000114.2T352 F355 K356 A359 I368 L373 A374T352-F370 HydrophobicContact CG2-CB 3.99Å; F355-F370 HydrophobicContact CB-CB 4.31Å; F355-F370 HydrophobicContact CB-CD1 3.77Å; F355-F370 HydrophobicContact CB-CE1 4.49Å; F355-F370 HydrophobicContact CB-CG 4.28Å; F355-F370 HydrophobicContact CG-CD1 4.41Å; K356-F370 HydrophobicContact CG-CD2 3.97Å; K356-F370 HydrophobicContact CG-CE2 4.39Å; K356-F370 HydrophobicContact CG-CG 4.41Å; A359-F370 HydrophobicContact CB-CE1 3.73Å; A359-F370 HydrophobicContact CB-CE2 4.45Å; A359-F370 HydrophobicContact CB-CZ 3.48Å; A359-F370 VanDerWaalsContact CB-CZ 3.48Å; I368-F370 HydrophobicContact CB-CE1 4.48Å; I368-F370 HydrophobicContact CB-CZ 4.3Å; I368-F370 HydrophobicContact CG2-CD1 4.02Å; I368-F370 HydrophobicContact CG2-CE1 3.76Å; I368-F370 HydrophobicContact CG2-CZ 4.07Å; I368-F370 PolarHBondContact O-N 2.88Å; F370-L373 HydrophobicContact CD1-CD1 4.25Å; F370-A374 WeakPolarHBondContact O-CB 3.42Å; F370-A374 PolarHBondContact O-N 3.43Å
371E92.6Very high90.5Very high103 Ų10373.7 Ų73.748%0.48136%0.364SS..Hα-helixtrans-67.8-39.3175.2-164.3-176.9161.900111.7R369 A374 R375R369-E371 PolarHBondContact O-N 2.93Å; R369-E371 VanDerWaalsContact O-N 3.16Å; E371-A374 PolarHBondContact O-N 3.02Å; E371-R375 WeakPolarHBondContact O-CG 3.27Å; E371-R375 PolarHBondContact O-N 3.38Å; E371-R375 VanDerWaalsContact O-N 3.12Å; E371-R375 IonicContact OE1-CZ 3.6Å; E371-R375 IonicContact OE1-NE 3.89Å; E371-R375 IonicContact OE1-NH2 2.71Å; E371-R375 PolarHBondContact OE1-NH2 3.46Å
372L92.2Very high90.5Very high64 Ų6469.4 Ų69.434%0.33534%0.336SS..Hα-helixtrans-62.9-46.5175.1-179.864.3000110.6R369 A374 R375 L376R369-L372 HydrophobicContact CB-CB 4.09Å; R369-L372 WeakPolarHBondContact O-CB 3.42Å; R369-L372 PolarHBondContact O-N 3.04Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.02Å; L372-R375 PolarHBondContact O-N 2.95Å; L372-L376 HydrophobicContact CG-CD1 4.46Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 2.93Å
373L92.1Very high90.5Very high0 Ų069.4 Ų69.40%034%0.344CS..Hα-helixtrans-61.1-41.8177.5-60.9177000111.7F355 I368 R369 F370 R375 L376 C377 F409 L410F355-L373 HydrophobicContact CE2-CB 4.22Å; F355-L373 HydrophobicContact CZ-CB 4.25Å; I368-L373 HydrophobicContact CG2-CD1 3.96Å; R369-L373 PolarHBondContact O-N 3.25Å; F370-L373 HydrophobicContact CD1-CD1 4.25Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 2.71Å; L373-L376 PolarHBondContact O-N 3.45Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L373-C377 PolarHBondContact O-N 3.41Å; L373-C377 PolarHBondContact O-SG 3.31Å; L373-F409 HydrophobicContact CD1-CB 3.63Å; L373-F409 HydrophobicContact CD1-CD1 3.9Å; L373-F409 HydrophobicContact CD1-CG 3.78Å; L373-F409 HydrophobicContact CD2-CB 3.75Å; L373-F409 HydrophobicContact CG-CB 4.36Å; L373-L410 HydrophobicContact CD2-CD2 3.96Å; L373-L410 HydrophobicContact CD2-CG 4.36Å
374A92.6Very high90.3Very high0 Ų067.4 Ų67.40%033%0.325CS..Hα-helixtrans-64.8-30.117800000113.6L348 R351 T352 F355 F370 E371 L372L348-A374 HydrophobicContact CD1-CB 3.77Å; R351-A374 HydrophobicContact CB-CB 3.92Å; R351-A374 PolarHBondContact NE-O 3.32Å; R351-A374 PolarHBondContact NH2-O 2.91Å; T352-A374 WeakPolarHBondContact OG1-CB 3.43Å; F355-A374 HydrophobicContact CD2-CB 4.45Å; F370-A374 WeakPolarHBondContact O-CB 3.42Å; F370-A374 PolarHBondContact O-N 3.43Å; E371-A374 PolarHBondContact O-N 3.02Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.02Å
375R92.9Very high90.3Very high155 Ų15565.3 Ų65.359%0.58531%0.313SS*.Hα-helixtrans-72.8-31.4173.4-68.4178.5-171-176.42.5112.5L348 E371 L372 L373 C377L348-R375 HydrophobicContact CD1-CB 4.37Å; L348-R375 HydrophobicContact CD1-CG 3.62Å; L348-R375 HydrophobicContact CD2-CG 4.19Å; E371-R375 WeakPolarHBondContact O-CG 3.27Å; E371-R375 PolarHBondContact O-N 3.38Å; E371-R375 VanDerWaalsContact O-N 3.12Å; E371-R375 IonicContact OE1-CZ 3.6Å; E371-R375 IonicContact OE1-NE 3.89Å; E371-R375 IonicContact OE1-NH2 2.71Å; E371-R375 PolarHBondContact OE1-NH2 3.46Å; L372-R375 PolarHBondContact O-N 2.95Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 2.71Å; R375-C377 VanDerWaalsContact C-N 3.28Å; R375-C377 PolarHBondContact O-N 2.95Å
376L91.1Very high90.3Very high82 Ų8268 Ų6843%0.42932%0.319SS..Hα-helixtrans-78.4-11.2178.1-66.3171.7000113.7L372 L373 P378 L410 V413L372-L376 HydrophobicContact CG-CD1 4.46Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 2.93Å; L373-L376 PolarHBondContact O-N 3.45Å; L373-L376 VanDerWaalsContact O-N 3.14Å; L376-P378 WeakPolarHBondContact O-CD 3.45Å; L376-L410 HydrophobicContact CD1-CD2 3.29Å; L376-V413 HydrophobicContact CB-CG1 4.07Å
377C88.9Confident90.6Very high0 Ų058.5 Ų58.50%029%0.291CS..SBendtrans-109.975177.2-64.10000111R351 L373 R375 S380R351-C377 VanDerWaalsContact CD-O 3.31Å; R351-C377 WeakPolarHBondContact CD-O 3.47Å; R351-C377 PolarHBondContact NE-O 3.03Å; L373-C377 PolarHBondContact O-N 3.41Å; L373-C377 PolarHBondContact O-SG 3.31Å; R375-C377 VanDerWaalsContact C-N 3.28Å; R375-C377 PolarHBondContact O-N 2.95Å; C377-S380 WeakPolarHBondContact CB-OG 3.46Å; C377-S380 PolarHBondContact O-OG 3.27Å
378P87.2Confident90.9Very high78 Ų7852.4 Ų52.451%0.50626%0.259SS..THydrogen-bonded Turntrans-71144.117531.1-34.9000110.7L376 S380L376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-S380 PolarHBondContact O-N 3.02Å; P378-S380 PolarHBondContact O-OG 2.94Å
379N86.2Confident91Very high112 Ų11252 Ų5260%0.59926%0.257SS*.THydrogen-bonded Turntrans50.129.5174.8-60.2-20.2000114.7L345L345-N379 HydrophobicContact CD1-CB 3.83Å
380S87.1Confident91.1Very high1 Ų149.7 Ų49.71%0.00726%0.258CS..  trans-87.2140.6-177.2-50.50000111.8P346 C377 P378 E384 I417P346-S380 WeakPolarHBondContact CD-O 3.25Å; P346-S380 WeakPolarHBondContact CG-O 3.49Å; C377-S380 WeakPolarHBondContact CB-OG 3.46Å; C377-S380 PolarHBondContact O-OG 3.27Å; P378-S380 PolarHBondContact O-N 3.02Å; P378-S380 PolarHBondContact O-OG 2.94Å; S380-E384 WeakPolarHBondContact CA-OE2 3.48Å; S380-I417 WeakPolarHBondContact OG-CD1 3.33Å
381T89.6Confident91.1Very high6 Ų649.7 Ų49.74%0.03726%0.259CS..  trans-77.3160.8175.163.50000111.2L345 A383 E384 I385 T426L345-T381 HydrophobicContact CD2-CG2 3.67Å; T381-A383 PolarHBondContact O-N 3.22Å; T381-E384 PolarHBondContact N-OE2 3.1Å; T381-E384 PolarHBondContact O-N 3.06Å; T381-E384 VanDerWaalsContact O-N 3.15Å; T381-E384 WeakPolarHBondContact OG1-CG 3.5Å; T381-E384 PolarHBondContact OG1-N 3.23Å; T381-I385 WeakPolarHBondContact O-CG1 3.38Å; T381-I385 PolarHBondContact O-N 3.44Å; T381-T426 HydrophobicContact CG2-CG2 4.33Å
382G88.9Confident91.3Very high16 Ų1644.8 Ų44.817%0.16524%0.236CC..Hα-helixtrans-59.5-34.217400000112.4G219 I385 R386G219-G382 PolarHBondContact O-N 3Å; G382-I385 PolarHBondContact O-N 3.39Å; G382-R386 PolarHBondContact O-N 3.06Å
383A89.3Confident91.3Very high46 Ų4642.5 Ų42.538%0.3823%0.228SC..Hα-helixtrans-64.8-41.817400000113G219 T381 R386 S387G219-A383 PolarHBondContact O-N 2.94Å; G219-A383 VanDerWaalsContact O-N 3.14Å; T381-A383 PolarHBondContact O-N 3.22Å; A383-R386 WeakPolarHBondContact O-CB 3.43Å; A383-R386 PolarHBondContact O-N 3.37Å; A383-S387 PolarHBondContact O-N 2.79Å; A383-S387 PolarHBondContact O-OG 3.18Å
384E90.2Very high91.5Very high43 Ų4346.3 Ų46.320%0.20125%0.247CC..Hα-helixtrans-65-41.1175.5-74.5169.3170.700111.5S380 T381 R386 S387 V388 S424S380-E384 WeakPolarHBondContact CA-OE2 3.48Å; T381-E384 PolarHBondContact N-OE2 3.1Å; T381-E384 PolarHBondContact O-N 3.06Å; T381-E384 VanDerWaalsContact O-N 3.15Å; T381-E384 WeakPolarHBondContact OG1-CG 3.5Å; T381-E384 PolarHBondContact OG1-N 3.23Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.46Å; E384-S387 CarbonylContact O-C 3.51Å; E384-S387 WeakPolarHBondContact O-CA 3.41Å; E384-S387 WeakPolarHBondContact O-CB 3.47Å; E384-S387 PolarHBondContact O-N 2.96Å; E384-S387 VanDerWaalsContact O-N 3.1Å; E384-V388 WeakPolarHBondContact O-CG2 3.47Å; E384-V388 PolarHBondContact O-N 2.62Å; E384-S424 PolarHBondContact OE1-OG 2.95Å
385I91.8Very high91.6Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-63.6-39.9176.7-65.8167.4000111.1R351 I354 F355 T381 G382 S387 V388 C389R351-I385 HydrophobicContact CB-CD1 3.82Å; R351-I385 HydrophobicContact CG-CD1 3.58Å; I354-I385 HydrophobicContact CB-CG2 4.23Å; I354-I385 HydrophobicContact CD1-CD1 4.3Å; I354-I385 HydrophobicContact CG2-CB 4.04Å; I354-I385 HydrophobicContact CG2-CD1 4.5Å; I354-I385 HydrophobicContact CG2-CG2 3.63Å; F355-I385 HydrophobicContact CD1-CG2 3.7Å; F355-I385 HydrophobicContact CD2-CG2 3.84Å; F355-I385 HydrophobicContact CE1-CG2 3.65Å; F355-I385 HydrophobicContact CE2-CG1 4.35Å; F355-I385 HydrophobicContact CE2-CG2 3.79Å; F355-I385 HydrophobicContact CG-CG2 3.79Å; F355-I385 HydrophobicContact CZ-CB 4.49Å; F355-I385 HydrophobicContact CZ-CG1 4.42Å; F355-I385 HydrophobicContact CZ-CG2 3.69Å; T381-I385 WeakPolarHBondContact O-CG1 3.38Å; T381-I385 PolarHBondContact O-N 3.44Å; G382-I385 PolarHBondContact O-N 3.39Å; I385-S387 VanDerWaalsContact C-N 3.32Å; I385-S387 PolarHBondContact O-N 3.38Å; I385-V388 WeakPolarHBondContact O-CB 3.42Å; I385-V388 PolarHBondContact O-N 2.8Å; I385-C389 PolarHBondContact O-N 2.88Å; I385-C389 VanDerWaalsContact O-N 3.08Å; I385-C389 PolarHBondContact O-SG 3.12Å
386R92.1Very high91.6Very high151 Ų15141 Ų4157%0.5723%0.229SC*.Hα-helixtrans-59.5-44.2171.4-175.3-180176.1-173.5-0.5111.2G382 A383 E384 V388 C389 T390G382-R386 PolarHBondContact O-N 3.06Å; A383-R386 WeakPolarHBondContact O-CB 3.43Å; A383-R386 PolarHBondContact O-N 3.37Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.46Å; R386-V388 VanDerWaalsContact C-N 3.33Å; R386-V388 PolarHBondContact O-N 2.78Å; R386-C389 PolarHBondContact O-N 3.47Å; R386-T390 PolarHBondContact O-N 3.37Å; R386-T390 PolarHBondContact O-OG1 3.14Å; R386-T390 VanDerWaalsContact O-OG1 3.08Å
387S92.6Very high91.8Very high56 Ų5642.8 Ų42.839%0.39224%0.238SC..Hα-helixtrans-62.5-38.1176.1-64.10000112.4A383 E384 I385 C389 T390 E391A383-S387 PolarHBondContact O-N 2.79Å; A383-S387 PolarHBondContact O-OG 3.18Å; E384-S387 CarbonylContact O-C 3.51Å; E384-S387 WeakPolarHBondContact O-CA 3.41Å; E384-S387 WeakPolarHBondContact O-CB 3.47Å; E384-S387 PolarHBondContact O-N 2.96Å; E384-S387 VanDerWaalsContact O-N 3.1Å; I385-S387 VanDerWaalsContact C-N 3.32Å; I385-S387 PolarHBondContact O-N 3.38Å; S387-C389 VanDerWaalsContact C-N 3.34Å; S387-C389 PolarHBondContact O-N 3.41Å; S387-T390 PolarHBondContact O-N 2.91Å; S387-E391 WeakPolarHBondContact O-CB 3.48Å; S387-E391 WeakPolarHBondContact O-CG 3.42Å; S387-E391 PolarHBondContact O-N 3.16Å
388V93.9Very high92.1Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-59-45.1172.6171.70000111F355 E384 I385 R386 E391 A392 F409 A412 V413 V416 I417F355-V388 HydrophobicContact CE1-CB 4.27Å; F355-V388 HydrophobicContact CE1-CG1 3.84Å; F355-V388 HydrophobicContact CZ-CG1 4.17Å; E384-V388 WeakPolarHBondContact O-CG2 3.47Å; E384-V388 PolarHBondContact O-N 2.62Å; I385-V388 WeakPolarHBondContact O-CB 3.42Å; I385-V388 PolarHBondContact O-N 2.8Å; R386-V388 VanDerWaalsContact C-N 3.33Å; R386-V388 PolarHBondContact O-N 2.78Å; V388-E391 PolarHBondContact O-N 3.02Å; V388-A392 WeakPolarHBondContact O-CB 3.47Å; V388-A392 PolarHBondContact O-N 2.85Å; V388-F409 HydrophobicContact CG1-CD1 4.42Å; V388-A412 HydrophobicContact CG1-CB 4.16Å; V388-A412 WeakPolarHBondContact O-CB 3.43Å; V388-V413 HydrophobicContact CG1-CG2 3.55Å; V388-V413 HydrophobicContact CG2-CG2 4.36Å; V388-V416 HydrophobicContact CG2-CB 3.89Å; V388-V416 HydrophobicContact CG2-CG1 3.95Å; V388-V416 HydrophobicContact CG2-CG2 4.26Å; V388-I417 HydrophobicContact CG2-CD1 4.42Å; V388-I417 HydrophobicContact CG2-CG1 4.48Å
389C94.3Very high92.4Very high4 Ų448.8 Ų48.83%0.02726%0.261CS..Hα-helixtrans-63.1-44.8178.1-60.50000111.6F355 H358 M362 I385 R386 S387 E391 A392 G393 F409F355-C389 VanDerWaalsContact CD1-SG 3.59Å; H358-C389 HydrophobicContact CB-CB 4.07Å; M362-C389 VanDerWaalsContact CE-O 3.25Å; M362-C389 WeakPolarHBondContact CE-O 3.3Å; M362-C389 HydrophobicContact SD-CB 3.94Å; I385-C389 PolarHBondContact O-N 2.88Å; I385-C389 VanDerWaalsContact O-N 3.08Å; I385-C389 PolarHBondContact O-SG 3.12Å; R386-C389 PolarHBondContact O-N 3.47Å; S387-C389 VanDerWaalsContact C-N 3.34Å; S387-C389 PolarHBondContact O-N 3.41Å; C389-E391 PolarHBondContact O-N 3.36Å; C389-A392 PolarHBondContact O-N 3.23Å; C389-G393 PolarHBondContact O-N 2.79Å; C389-G393 VanDerWaalsContact O-N 3.09Å; C389-F409 HydrophobicContact CB-CE1 4.42Å
390T94.4Very high92.8Very high92 Ų9254.7 Ų54.756%0.56428%0.275SS*.Hα-helixtrans-60.9-43.7176.9-53.90000111.9R386 S387 G393 M394R386-T390 PolarHBondContact O-N 3.37Å; R386-T390 PolarHBondContact O-OG1 3.14Å; R386-T390 VanDerWaalsContact O-OG1 3.08Å; S387-T390 PolarHBondContact O-N 2.91Å; T390-G393 PolarHBondContact O-N 2.9Å; T390-M394 PolarHBondContact O-N 3.47Å
391E94.3Very high93.1Very high35 Ų3559.4 Ų59.416%0.16429%0.292CS..Hα-helixtrans-67.6-37.6178.5-77.5-7317700112.4S387 V388 C389 G393 M394 F395 A412 K415 V416S387-E391 WeakPolarHBondContact O-CB 3.48Å; S387-E391 WeakPolarHBondContact O-CG 3.42Å; S387-E391 PolarHBondContact O-N 3.16Å; V388-E391 PolarHBondContact O-N 3.02Å; C389-E391 PolarHBondContact O-N 3.36Å; E391-G393 VanDerWaalsContact C-N 3.29Å; E391-G393 PolarHBondContact O-N 2.91Å; E391-M394 WeakPolarHBondContact O-CA 3.48Å; E391-M394 WeakPolarHBondContact O-CB 3.45Å; E391-M394 PolarHBondContact O-N 3.05Å; E391-F395 WeakPolarHBondContact O-CD2 3.26Å; E391-F395 PolarHBondContact O-N 3.23Å; E391-A412 HydrophobicContact CB-CB 3.84Å; E391-K415 IonicContact OE1-NZ 3.23Å; E391-K415 PolarHBondContact OE1-NZ 3.06Å; E391-K415 IonicContact OE2-NZ 3.77Å; E391-K415 PolarHBondContact OE2-NZ 3.37Å; E391-V416 HydrophobicContact CB-CG2 4.13Å; E391-V416 HydrophobicContact CG-CG2 3.75Å
392A94.7Very high93.2Very high0 Ų068.5 Ų68.50%033%0.331CS..Hα-helixtrans-59.8-41.7172.600000111.3V388 C389 M394 F395 A396 D408 F409 A412V388-A392 WeakPolarHBondContact O-CB 3.47Å; V388-A392 PolarHBondContact O-N 2.85Å; C389-A392 PolarHBondContact O-N 3.23Å; A392-M394 VanDerWaalsContact C-N 3.34Å; A392-F395 PolarHBondContact O-N 3.23Å; A392-A396 PolarHBondContact O-N 3.42Å; A392-A396 VanDerWaalsContact O-N 3.11Å; A392-D408 HydrophobicContact CB-CB 4.41Å; A392-F409 HydrophobicContact CB-CB 4.47Å; A392-F409 HydrophobicContact CB-CD1 3.63Å; A392-F409 HydrophobicContact CB-CD2 3.99Å; A392-F409 HydrophobicContact CB-CE1 3.74Å; A392-F409 HydrophobicContact CB-CE2 4.08Å; A392-F409 HydrophobicContact CB-CG 3.77Å; A392-F409 HydrophobicContact CB-CZ 3.96Å; A392-A412 HydrophobicContact CB-CB 3.99Å
393G94.2Very high93.5Very high15 Ų1572.1 Ų72.116%0.15535%0.346CS..Hα-helixtrans-61.5-40.5171.300000112.6C389 T390 E391 A396 I397C389-G393 PolarHBondContact O-N 2.79Å; C389-G393 VanDerWaalsContact O-N 3.09Å; T390-G393 PolarHBondContact O-N 2.9Å; E391-G393 VanDerWaalsContact C-N 3.29Å; E391-G393 PolarHBondContact O-N 2.91Å; G393-A396 PolarHBondContact O-N 3.09Å; G393-I397 VanDerWaalsContact O-CG1 3.3Å; G393-I397 WeakPolarHBondContact O-CG1 3.41Å; G393-I397 PolarHBondContact O-N 3.45Å
394M94.6Very high93.7Very high81 Ų8170.1 Ų70.140%0.39933%0.329SS..Hα-helixtrans-65.7-39.3178.5-165.861.4-178.100112.6T390 E391 A392 I397 R398T390-M394 PolarHBondContact O-N 3.47Å; E391-M394 WeakPolarHBondContact O-CA 3.48Å; E391-M394 WeakPolarHBondContact O-CB 3.45Å; E391-M394 PolarHBondContact O-N 3.05Å; A392-M394 VanDerWaalsContact C-N 3.34Å; M394-I397 PolarHBondContact O-N 3.13Å; M394-R398 VanDerWaalsContact O-CG 3.31Å; M394-R398 WeakPolarHBondContact O-CG 3.26Å; M394-R398 PolarHBondContact O-N 3.1Å
395F94.8Very high93.9Very high39 Ų3969.7 Ų69.717%0.17133%0.33CS..Hα-helixtrans-63.6-43173.1-77.2-64.8000112E391 A392 I397 R398 A399 D408 E411 A412 K415E391-F395 WeakPolarHBondContact O-CD2 3.26Å; E391-F395 PolarHBondContact O-N 3.23Å; A392-F395 PolarHBondContact O-N 3.23Å; F395-I397 PolarHBondContact O-N 3.17Å; F395-R398 PolarHBondContact O-N 2.83Å; F395-A399 WeakPolarHBondContact O-CB 3.42Å; F395-A399 PolarHBondContact O-N 3.03Å; F395-D408 HydrophobicContact CB-CB 4.26Å; F395-E411 HydrophobicContact CD2-CB 4.39Å; F395-E411 HydrophobicContact CE2-CB 4.21Å; F395-E411 HydrophobicContact CZ-CB 4.42Å; F395-A412 HydrophobicContact CD2-CB 4.24Å; F395-A412 HydrophobicContact CE2-CB 4.28Å; F395-K415 HydrophobicContact CE2-CD 4.11Å; F395-K415 HydrophobicContact CZ-CD 3.85Å
396A94.4Very high93.9Very high5 Ų571.5 Ų71.54%0.04134%0.338CS..Hα-helixtrans-59.9-44.717500000111.8A392 G393 A399 R400 R401 A404A392-A396 PolarHBondContact O-N 3.42Å; A392-A396 VanDerWaalsContact O-N 3.11Å; G393-A396 PolarHBondContact O-N 3.09Å; A396-A399 CarbonylContact O-C 3.58Å; A396-A399 PolarHBondContact O-N 2.97Å; A396-R400 PolarHBondContact O-N 2.73Å; A396-R401 PolarHBondContact O-N 2.88Å; A396-A404 HydrophobicContact CB-CB 4.4Å
397I95.1Very high93.9Very high119 Ų11971.9 Ų71.961%0.6134%0.344SS*.Hα-helixtrans-62.7-45.6177.3-68.7166.7000111.3G393 M394 F395 A399 R400G393-I397 VanDerWaalsContact O-CG1 3.3Å; G393-I397 WeakPolarHBondContact O-CG1 3.41Å; G393-I397 PolarHBondContact O-N 3.45Å; M394-I397 PolarHBondContact O-N 3.13Å; F395-I397 PolarHBondContact O-N 3.17Å; I397-A399 VanDerWaalsContact C-N 3.25Å; I397-A399 PolarHBondContact O-N 3.39Å; I397-R400 WeakPolarHBondContact O-CA 3.28Å; I397-R400 PolarHBondContact O-N 3Å
398R94.6Very high94Very high153 Ų15369.3 Ų69.358%0.57733%0.326SS*.Hα-helixtrans-61-36.3177.4-74.1175.8-171.6-171.30.8112.2M394 F395 R400M394-R398 VanDerWaalsContact O-CG 3.31Å; M394-R398 WeakPolarHBondContact O-CG 3.26Å; M394-R398 PolarHBondContact O-N 3.1Å; F395-R398 PolarHBondContact O-N 2.83Å; R398-R400 PolarHBondContact O-N 3.37Å
399A94.1Very high94Very high50 Ų5069.3 Ų69.341%0.41333%0.326SS..THydrogen-bonded Turntrans-78.95174.300000113.7F395 A396 I397 R401F395-A399 WeakPolarHBondContact O-CB 3.42Å; F395-A399 PolarHBondContact O-N 3.03Å; A396-A399 CarbonylContact O-C 3.58Å; A396-A399 PolarHBondContact O-N 2.97Å; I397-A399 VanDerWaalsContact C-N 3.25Å; I397-A399 PolarHBondContact O-N 3.39Å; A399-R401 HydrophobicContact CB-CG 4.34Å; A399-R401 PolarHBondContact O-N 2.89Å
400R94.6Very high93.9Very high237 Ų23771.7 Ų71.789%0.89434%0.338SS*.THydrogen-bonded Turntrans54.829.4-175.4-57.7-175178.4-163.2-0.4113.6A396 I397 R398A396-R400 PolarHBondContact O-N 2.73Å; I397-R400 WeakPolarHBondContact O-CA 3.28Å; I397-R400 PolarHBondContact O-N 3Å; R398-R400 PolarHBondContact O-N 3.37Å
401R93.3Very high93.9Very high99 Ų9972.4 Ų72.437%0.37434%0.335SS..  trans-94.5145.7176.3-72.4-175.9-82.7118.1-4110.4A396 A399 D408A396-R401 PolarHBondContact O-N 2.88Å; A399-R401 HydrophobicContact CB-CG 4.34Å; A399-R401 PolarHBondContact O-N 2.89Å; R401-D408 IonicContact CZ-OD1 3.39Å; R401-D408 IonicContact CZ-OD2 2.69Å; R401-D408 VanDerWaalsContact NH1-CG 3.32Å; R401-D408 IonicContact NH1-OD1 3.99Å; R401-D408 PolarHBondContact NH1-OD1 2.88Å; R401-D408 IonicContact NH1-OD2 3.85Å; R401-D408 PolarHBondContact NH1-OD2 2.84Å; R401-D408 IonicContact NH2-OD1 2.93Å; R401-D408 PolarHBondContact NH2-OD1 3.42Å; R401-D408 IonicContact NH2-OD2 3.35Å
402K92Very high93.9Very high198 Ų19870.8 Ų70.886%0.86133%0.327SS*.SBendtrans-89.6-16.1177.9-64.1-174179.5-176.90113.5
403I94.2Very high93.8Very high91 Ų9171.1 Ų71.147%0.46733%0.329SS..SBendtrans-125.6134.2-175.3-54.8172.7000107.8S363 E365S363-I403 WeakPolarHBondContact O-CA 3.41Å; E365-I403 HydrophobicContact CB-CG2 4.27Å
404A93.9Very high93.7Very high4 Ų473.8 Ų73.83%0.03334%0.34CS..BIsolated β-bridgetrans-81.8133.817300000110S363 E365 A396 F409S363-A404 PolarHBondContact O-N 3.03Å; E365-A404 PolarHBondContact N-O 3.27Å; E365-A404 VanDerWaalsContact N-O 3.13Å; A396-A404 HydrophobicContact CB-CB 4.4Å; A404-F409 HydrophobicContact CB-CE2 3.99Å
405T93.4Very high93.5Very high35 Ų3572.8 Ų72.822%0.21533%0.333CS..  trans-105.9163.6-179.2630000110.8K407 D408 F409T405-K407 PolarHBondContact O-N 3.14Å; T405-K407 VanDerWaalsContact O-N 3.15Å; T405-D408 PolarHBondContact N-OD2 3.01Å; T405-D408 WeakPolarHBondContact O-CB 3.14Å; T405-D408 PolarHBondContact O-N 3.43Å; T405-D408 PolarHBondContact OG1-OD2 3.45Å; T405-F409 WeakPolarHBondContact O-CD2 3.41Å; T405-F409 PolarHBondContact O-N 3.12Å
406E92.8Very high93.2Very high37 Ų3771.1 Ų71.117%0.17333%0.327CS..Hα-helixtrans-55-34.5176.9-170.2177-141.400112.1R369 D408 F409 L410R369-E406 IonicContact CZ-OE1 3.61Å; R369-E406 IonicContact CZ-OE2 3.79Å; R369-E406 IonicContact NE-OE1 2.8Å; R369-E406 PolarHBondContact NE-OE1 3.03Å; R369-E406 IonicContact NE-OE2 3.18Å; R369-E406 IonicContact NH2-OE1 3.51Å; R369-E406 PolarHBondContact NH2-OE1 3.33Å; R369-E406 IonicContact NH2-OE2 3.51Å; R369-E406 PolarHBondContact NH2-OE2 3.37Å; E406-D408 PolarHBondContact O-N 3.15Å; E406-F409 PolarHBondContact O-N 3.21Å; E406-L410 WeakPolarHBondContact O-CG 3.48Å; E406-L410 PolarHBondContact O-N 2.7Å
407K92.4Very high92.9Very high159 Ų15972.4 Ų72.469%0.69133%0.333SS*.Hα-helixtrans-62.3-39.9177-67.4-176.4-179.8178.70112.9T405 F409 L410 E411T405-K407 PolarHBondContact O-N 3.14Å; T405-K407 VanDerWaalsContact O-N 3.15Å; K407-F409 VanDerWaalsContact C-N 3.3Å; K407-F409 PolarHBondContact O-N 2.97Å; K407-L410 PolarHBondContact O-N 2.89Å; K407-E411 PolarHBondContact O-N 3.46Å
408D93.9Very high92.3Very high3 Ų373.8 Ų73.82%0.01633%0.334CS..Hα-helixtrans-65.2-38.5178.1-55-53.8000111.3A392 F395 R401 T405 E406 E411 A412A392-D408 HydrophobicContact CB-CB 4.41Å; F395-D408 HydrophobicContact CB-CB 4.26Å; R401-D408 IonicContact CZ-OD1 3.39Å; R401-D408 IonicContact CZ-OD2 2.69Å; R401-D408 VanDerWaalsContact NH1-CG 3.32Å; R401-D408 IonicContact NH1-OD1 3.99Å; R401-D408 PolarHBondContact NH1-OD1 2.88Å; R401-D408 IonicContact NH1-OD2 3.85Å; R401-D408 PolarHBondContact NH1-OD2 2.84Å; R401-D408 IonicContact NH2-OD1 2.93Å; R401-D408 PolarHBondContact NH2-OD1 3.42Å; R401-D408 IonicContact NH2-OD2 3.35Å; T405-D408 PolarHBondContact N-OD2 3.01Å; T405-D408 WeakPolarHBondContact O-CB 3.14Å; T405-D408 PolarHBondContact O-N 3.43Å; T405-D408 PolarHBondContact OG1-OD2 3.45Å; E406-D408 PolarHBondContact O-N 3.15Å; D408-E411 PolarHBondContact O-N 2.88Å; D408-A412 VanDerWaalsContact O-CB 3.24Å; D408-A412 WeakPolarHBondContact O-CB 3.44Å; D408-A412 PolarHBondContact O-N 2.79Å
409F93.8Very high91.7Very high0 Ų069.7 Ų69.70%033%0.329CS..Hα-helixtrans-66.1-40.4174.7-80-85.2000111.7V364 I368 L373 V388 C389 A392 A404 T405 E406 K407 A412 V413V364-F409 HydrophobicContact CG1-CE2 4.11Å; V364-F409 HydrophobicContact CG1-CZ 4.14Å; I368-F409 HydrophobicContact CD1-CD2 3.92Å; I368-F409 HydrophobicContact CD1-CE2 3.68Å; L373-F409 HydrophobicContact CD1-CB 3.63Å; L373-F409 HydrophobicContact CD1-CD1 3.9Å; L373-F409 HydrophobicContact CD1-CG 3.78Å; L373-F409 HydrophobicContact CD2-CB 3.75Å; L373-F409 HydrophobicContact CG-CB 4.36Å; V388-F409 HydrophobicContact CG1-CD1 4.42Å; C389-F409 HydrophobicContact CB-CE1 4.42Å; A392-F409 HydrophobicContact CB-CB 4.47Å; A392-F409 HydrophobicContact CB-CD1 3.63Å; A392-F409 HydrophobicContact CB-CD2 3.99Å; A392-F409 HydrophobicContact CB-CE1 3.74Å; A392-F409 HydrophobicContact CB-CE2 4.08Å; A392-F409 HydrophobicContact CB-CG 3.77Å; A392-F409 HydrophobicContact CB-CZ 3.96Å; A404-F409 HydrophobicContact CB-CE2 3.99Å; T405-F409 WeakPolarHBondContact O-CD2 3.41Å; T405-F409 PolarHBondContact O-N 3.12Å; E406-F409 PolarHBondContact O-N 3.21Å; K407-F409 VanDerWaalsContact C-N 3.3Å; K407-F409 PolarHBondContact O-N 2.97Å; F409-A412 PolarHBondContact O-N 2.74Å; F409-V413 WeakPolarHBondContact O-CB 3.5Å; F409-V413 VanDerWaalsContact O-CG2 3.25Å; F409-V413 WeakPolarHBondContact O-CG2 3.29Å; F409-V413 PolarHBondContact O-N 2.85Å
410L93.6Very high91.1Very high54 Ų5472.4 Ų72.428%0.28333%0.329SS..Hα-helixtrans-63.7-41.1176.1-68.5171.5000112.1L373 L376 E406 K407 N414L373-L410 HydrophobicContact CD2-CD2 3.96Å; L373-L410 HydrophobicContact CD2-CG 4.36Å; L376-L410 HydrophobicContact CD1-CD2 3.29Å; E406-L410 WeakPolarHBondContact O-CG 3.48Å; E406-L410 PolarHBondContact O-N 2.7Å; K407-L410 PolarHBondContact O-N 2.89Å; L410-N414 PolarHBondContact O-N 3.4Å; L410-N414 VanDerWaalsContact O-N 3.07Å; L410-N414 PolarHBondContact O-ND2 2.85Å
411E93.4Very high90.2Very high107 Ų10764 Ų6450%0.531%0.311SS..Hα-helixtrans-65.6-42.1173.8-72.9-176.8-171.600111.6F395 K407 D408 N414 K415F395-E411 HydrophobicContact CD2-CB 4.39Å; F395-E411 HydrophobicContact CE2-CB 4.21Å; F395-E411 HydrophobicContact CZ-CB 4.42Å; K407-E411 PolarHBondContact O-N 3.46Å; D408-E411 PolarHBondContact O-N 2.88Å; E411-N414 PolarHBondContact O-N 3Å; E411-K415 WeakPolarHBondContact O-CB 3.4Å; E411-K415 PolarHBondContact O-N 2.95Å
412A94.1Very high89.5Confident0 Ų068.1 Ų68.10%033%0.331CS..Hα-helixtrans-62.4-43.9175.700000112.7V388 E391 A392 F395 D408 F409 K415 V416V388-A412 HydrophobicContact CG1-CB 4.16Å; V388-A412 WeakPolarHBondContact O-CB 3.43Å; E391-A412 HydrophobicContact CB-CB 3.84Å; A392-A412 HydrophobicContact CB-CB 3.99Å; F395-A412 HydrophobicContact CD2-CB 4.24Å; F395-A412 HydrophobicContact CE2-CB 4.28Å; D408-A412 VanDerWaalsContact O-CB 3.24Å; D408-A412 WeakPolarHBondContact O-CB 3.44Å; D408-A412 PolarHBondContact O-N 2.79Å; F409-A412 PolarHBondContact O-N 2.74Å; A412-K415 PolarHBondContact O-N 3.24Å; A412-V416 WeakPolarHBondContact O-CB 3.45Å; A412-V416 WeakPolarHBondContact O-CG2 3.36Å; A412-V416 PolarHBondContact O-N 3.26Å
413V93.1Very high88.8Confident7 Ų766.6 Ų66.64%0.04233%0.325CS..Hα-helixtrans-60.6-47.4175.1169.60000110.2L376 V388 F409 K415 I417L376-V413 HydrophobicContact CB-CG1 4.07Å; V388-V413 HydrophobicContact CG1-CG2 3.55Å; V388-V413 HydrophobicContact CG2-CG2 4.36Å; F409-V413 WeakPolarHBondContact O-CB 3.5Å; F409-V413 VanDerWaalsContact O-CG2 3.25Å; F409-V413 WeakPolarHBondContact O-CG2 3.29Å; F409-V413 PolarHBondContact O-N 2.85Å; V413-K415 VanDerWaalsContact C-N 3.33Å; V413-K415 PolarHBondContact O-N 2.76Å; V413-I417 HydrophobicContact CG1-CB 4.44Å; V413-I417 HydrophobicContact CG1-CG1 4.01Å; V413-I417 WeakPolarHBondContact O-CA 3.35Å; V413-I417 WeakPolarHBondContact O-CB 3.29Å; V413-I417 WeakPolarHBondContact O-CG1 3.4Å; V413-I417 PolarHBondContact O-N 2.75Å
414N90.8Very high87.9Confident72 Ų7264 Ų6439%0.38532%0.315SS..Iπ-helixtrans-60.8-43.1177.8-79.6-55.3000111.7L410 E411 K418L410-N414 PolarHBondContact O-N 3.4Å; L410-N414 VanDerWaalsContact O-N 3.07Å; L410-N414 PolarHBondContact O-ND2 2.85Å; E411-N414 PolarHBondContact O-N 3Å; N414-K418 WeakPolarHBondContact O-CB 2.98Å; N414-K418 PolarHBondContact O-N 2.69Å; N414-K418 VanDerWaalsContact O-N 3.15Å; N414-K418 WeakPolarHBondContact OD1-CD 3.05Å; N414-K418 VanDerWaalsContact OD1-CE 3.23Å; N414-K418 WeakPolarHBondContact OD1-CE 3.47Å; N414-K418 PolarHBondContact OD1-NZ 3.24Å
415K90.8Very high86.7Confident59 Ų5965.8 Ų65.826%0.25733%0.33SS..Iπ-helixtrans-65-54.4178.3-176.7-176171.5-162.50111.4E391 F395 E411 A412 V413 S419E391-K415 IonicContact OE1-NZ 3.23Å; E391-K415 PolarHBondContact OE1-NZ 3.06Å; E391-K415 IonicContact OE2-NZ 3.77Å; E391-K415 PolarHBondContact OE2-NZ 3.37Å; F395-K415 HydrophobicContact CE2-CD 4.11Å; F395-K415 HydrophobicContact CZ-CD 3.85Å; E411-K415 WeakPolarHBondContact O-CB 3.4Å; E411-K415 PolarHBondContact O-N 2.95Å; A412-K415 PolarHBondContact O-N 3.24Å; V413-K415 VanDerWaalsContact C-N 3.33Å; V413-K415 PolarHBondContact O-N 2.76Å; K415-S419 WeakPolarHBondContact O-CA 3.33Å; K415-S419 WeakPolarHBondContact O-CB 3.45Å; K415-S419 PolarHBondContact O-N 3.23Å; K415-S419 VanDerWaalsContact O-N 3.11Å
416V90Very high85.8Confident5 Ų564.7 Ų64.73%0.0332%0.323CS..Iπ-helixtrans-71.1-54.2-174.1176.60000110.4V388 E391 A412 Y420V388-V416 HydrophobicContact CG2-CB 3.89Å; V388-V416 HydrophobicContact CG2-CG1 3.95Å; V388-V416 HydrophobicContact CG2-CG2 4.26Å; E391-V416 HydrophobicContact CB-CG2 4.13Å; E391-V416 HydrophobicContact CG-CG2 3.75Å; A412-V416 WeakPolarHBondContact O-CB 3.45Å; A412-V416 WeakPolarHBondContact O-CG2 3.36Å; A412-V416 PolarHBondContact O-N 3.26Å; V416-Y420 HydrophobicContact CB-CD2 4.29Å; V416-Y420 HydrophobicContact CG1-CD2 4.03Å; V416-Y420 HydrophobicContact CG2-CD2 4.47Å; V416-Y420 HydrophobicContact CG2-CE2 4.38Å; V416-Y420 WeakPolarHBondContact O-CA 3.46Å; V416-Y420 WeakPolarHBondContact O-CB 3.36Å; V416-Y420 PolarHBondContact O-N 3.04Å
417I86.5Confident85.1Confident32 Ų3267 Ų6716%0.16434%0.341CS..Iπ-helixtrans-72.3-45.5-172.7-56-57.1000111.3S380 V388 V413 A421S380-I417 WeakPolarHBondContact OG-CD1 3.33Å; V388-I417 HydrophobicContact CG2-CD1 4.42Å; V388-I417 HydrophobicContact CG2-CG1 4.48Å; V413-I417 HydrophobicContact CG1-CB 4.44Å; V413-I417 HydrophobicContact CG1-CG1 4.01Å; V413-I417 WeakPolarHBondContact O-CA 3.35Å; V413-I417 WeakPolarHBondContact O-CB 3.29Å; V413-I417 WeakPolarHBondContact O-CG1 3.4Å; V413-I417 PolarHBondContact O-N 2.75Å; I417-A421 WeakPolarHBondContact O-CB 3.3Å; I417-A421 PolarHBondContact O-N 3.15Å; I417-A421 VanDerWaalsContact O-N 3.13Å
418K82.9Confident84.3Confident147 Ų14768 Ų6864%0.63934%0.341SS*.Iπ-helixtrans-82.2-39.7-176.9-57.9179.3172.8165.40113.3N414N414-K418 WeakPolarHBondContact O-CB 2.98Å; N414-K418 PolarHBondContact O-N 2.69Å; N414-K418 VanDerWaalsContact O-N 3.15Å; N414-K418 WeakPolarHBondContact OD1-CD 3.05Å; N414-K418 VanDerWaalsContact OD1-CE 3.23Å; N414-K418 WeakPolarHBondContact OD1-CE 3.47Å; N414-K418 PolarHBondContact OD1-NZ 3.24Å
419S82.4Confident83.5Confident67 Ų6771 Ų7147%0.46935%0.352SS..Iπ-helixtrans-75.8-43-179.5-156.60000111.3K415K415-S419 WeakPolarHBondContact O-CA 3.33Å; K415-S419 WeakPolarHBondContact O-CB 3.45Å; K415-S419 PolarHBondContact O-N 3.23Å; K415-S419 VanDerWaalsContact O-N 3.11Å
420Y80.4Confident82.6Confident107 Ų10775.3 Ų75.342%0.4237%0.374SS..Hα-helixtrans-84.7-4.2178.9-52-36.7000114.3V416 K422 F423 S424V416-Y420 HydrophobicContact CB-CD2 4.29Å; V416-Y420 HydrophobicContact CG1-CD2 4.03Å; V416-Y420 HydrophobicContact CG2-CD2 4.47Å; V416-Y420 HydrophobicContact CG2-CE2 4.38Å; V416-Y420 WeakPolarHBondContact O-CA 3.46Å; V416-Y420 WeakPolarHBondContact O-CB 3.36Å; V416-Y420 PolarHBondContact O-N 3.04Å; Y420-K422 PolarHBondContact O-N 2.96Å; Y420-K422 VanDerWaalsContact O-N 3.12Å; Y420-F423 HydrophobicContact CD1-CD2 4.32Å; Y420-F423 CarbonylContact O-C 3.54Å; Y420-F423 PolarHBondContact O-N 3.3Å; Y420-S424 PolarHBondContact O-N 2.76Å
421A77Confident81.8Confident62 Ų6277.7 Ų77.751%0.51239%0.391SS..G310 helixtrans-51.5-34.3166.700000112.4I417 F423 S424I417-A421 WeakPolarHBondContact O-CB 3.3Å; I417-A421 PolarHBondContact O-N 3.15Å; I417-A421 VanDerWaalsContact O-N 3.13Å; A421-F423 PolarHBondContact O-N 3.09Å; A421-S424 PolarHBondContact O-N 3.21Å
422K77.3Confident80.8Confident184 Ų18476.3 Ų76.380%0.838%0.381SS*.G310 helixtrans-63.3-26.5176.5-65.5-175.1-179.5-178.50113.7Y420Y420-K422 PolarHBondContact O-N 2.96Å; Y420-K422 VanDerWaalsContact O-N 3.12Å
423F78.4Confident79.4Confident167 Ų16779 Ų7973%0.73240%0.396SS*.G310 helixtrans-110.26.3-178.1-54.8-73.1000112.2Y420 A421 A425Y420-F423 HydrophobicContact CD1-CD2 4.32Å; Y420-F423 CarbonylContact O-C 3.54Å; Y420-F423 PolarHBondContact O-N 3.3Å; A421-F423 PolarHBondContact O-N 3.09Å; F423-A425 PolarHBondContact O-N 2.91Å
424S74.8Confident78.7Confident35 Ų3582.7 Ų82.725%0.24541%0.414CS..  trans-66.4122.1-176.2-174.30000109.8E384 Y420 A421 T426 P427E384-S424 PolarHBondContact OE1-OG 2.95Å; Y420-S424 PolarHBondContact O-N 2.76Å; A421-S424 PolarHBondContact O-N 3.21Å; S424-T426 WeakPolarHBondContact OG-CB 3.38Å; S424-T426 PolarHBondContact OG-N 3.39Å; S424-T426 PolarHBondContact OG-OG1 2.9Å; S424-P427 WeakPolarHBondContact O-CD 3.37Å
425A69.8Low78.1Confident42 Ų4283.2 Ų83.235%0.34742%0.415SS..  trans-77.5-14.9174.900000112F423 R428 Y429F423-A425 PolarHBondContact O-N 2.91Å; A425-R428 PolarHBondContact O-N 2.84Å; A425-R428 VanDerWaalsContact O-N 3.11Å; A425-Y429 HydrophobicContact CB-CD2 3.85Å; A425-Y429 HydrophobicContact CB-CE2 3.9Å; A425-Y429 WeakPolarHBondContact O-CD2 3.18Å; A425-Y429 PolarHBondContact O-N 3.18Å; A425-Y429 VanDerWaalsContact O-N 3.09Å
426T74.3Confident77.4Confident12 Ų1284.6 Ų84.67%0.07442%0.424CS..Hα-helixtrans-54.1-47.8-172-43.90000113.4L345 T381 S424 R428 Y429 M430L345-T426 HydrophobicContact CD1-CG2 4.05Å; L345-T426 HydrophobicContact CD2-CG2 3.95Å; T381-T426 HydrophobicContact CG2-CG2 4.33Å; S424-T426 WeakPolarHBondContact OG-CB 3.38Å; S424-T426 PolarHBondContact OG-N 3.39Å; S424-T426 PolarHBondContact OG-OG1 2.9Å; T426-R428 VanDerWaalsContact C-N 3.32Å; T426-R428 PolarHBondContact O-N 3.1Å; T426-Y429 PolarHBondContact O-N 3.29Å; T426-M430 HydrophobicContact CG2-CG 4.46Å; T426-M430 HydrophobicContact CG2-SD 4.23Å; T426-M430 WeakPolarHBondContact O-CB 3.02Å; T426-M430 WeakPolarHBondContact O-CG 3.13Å; T426-M430 PolarHBondContact O-N 3.25Å
427P76.8Confident76.6Confident87 Ų8789.2 Ų89.257%0.56545%0.447SS*.Hα-helixtrans-65-34.3-179.9-19.432.7000113.1S424S424-P427 WeakPolarHBondContact O-CD 3.37Å
428R76.9Confident76Confident179 Ų17992.8 Ų92.868%0.67547%0.465SS*.Hα-helixtrans-73-34.9179.9-174177.5179.3-177.7-0.2111.9A425 T426 T431 Y432A425-R428 PolarHBondContact O-N 2.84Å; A425-R428 VanDerWaalsContact O-N 3.11Å; T426-R428 VanDerWaalsContact C-N 3.32Å; T426-R428 PolarHBondContact O-N 3.1Å; R428-T431 PolarHBondContact O-OG1 2.89Å; R428-Y432 HydrophobicContact CG-CE2 4.36Å; R428-Y432 WeakPolarHBondContact O-CD2 3.26Å; R428-Y432 WeakPolarHBondContact O-CE2 3.5Å
429Y76.1Confident75.5Confident67 Ų6789.2 Ų89.226%0.26345%0.453SS..Hα-helixtrans-83.1-24.3177.2-75.6-80.9000112.9P218 N322 R323 A425 T426 T431 Y432 N433P218-Y429 HydrophobicContact CG-CD2 3.8Å; P218-Y429 HydrophobicContact CG-CE2 4.06Å; P218-Y429 HydrophobicContact CG-CG 4.2Å; N322-Y429 HydrophobicContact CB-CD1 4.22Å; N322-Y429 HydrophobicContact CB-CE1 4.08Å; R323-Y429 HydrophobicContact CG-CD1 4.11Å; R323-Y429 HydrophobicContact CG-CE1 3.86Å; A425-Y429 HydrophobicContact CB-CD2 3.85Å; A425-Y429 HydrophobicContact CB-CE2 3.9Å; A425-Y429 WeakPolarHBondContact O-CD2 3.18Å; A425-Y429 PolarHBondContact O-N 3.18Å; A425-Y429 VanDerWaalsContact O-N 3.09Å; T426-Y429 PolarHBondContact O-N 3.29Å; Y429-T431 PolarHBondContact O-N 3.27Å; Y429-Y432 PolarHBondContact O-N 2.91Å; Y429-N433 PolarHBondContact O-N 3.16Å; Y429-N433 PolarHBondContact O-ND2 3.5Å
430M75.9Confident75Confident90 Ų9090.8 Ų90.844%0.44345%0.452SS..THydrogen-bonded Turntrans-67.1-15.9172.4-82.7-175.1129.600114.1L345 T426 Y432 N433L345-M430 HydrophobicContact CD1-CE 3.25Å; L345-M430 HydrophobicContact CD1-SD 4Å; L345-M430 HydrophobicContact CG-CE 3.82Å; T426-M430 HydrophobicContact CG2-CG 4.46Å; T426-M430 HydrophobicContact CG2-SD 4.23Å; T426-M430 WeakPolarHBondContact O-CB 3.02Å; T426-M430 WeakPolarHBondContact O-CG 3.13Å; T426-M430 PolarHBondContact O-N 3.25Å; M430-Y432 VanDerWaalsContact C-N 3.26Å; M430-N433 VanDerWaalsContact O-OXT 3.1Å
431T76.5Confident74.6Confident104 Ų10489.5 Ų89.564%0.63845%0.454SS*.THydrogen-bonded Turntrans-76.4-17.8173.654.30000113R428 Y429R428-T431 PolarHBondContact O-OG1 2.89Å; Y429-T431 PolarHBondContact O-N 3.27Å
432Y72.4Confident74.4Confident77 Ų7791.8 Ų91.830%0.30245%0.45SS..THydrogen-bonded Turntrans-107.6-18.3-174.7-54-64.3000113.6P324 D325 R428 Y429 M430P324-Y432 WeakPolarHBondContact CD-O 3.48Å; P324-Y432 WeakPolarHBondContact CG-O 3.44Å; D325-Y432 HydrophobicContact CB-CD1 4.24Å; D325-Y432 VanDerWaalsContact CG-CD1 3.48Å; D325-Y432 VanDerWaalsContact OD2-CD1 3.24Å; D325-Y432 WeakPolarHBondContact OD2-CD1 3.45Å; R428-Y432 HydrophobicContact CG-CE2 4.36Å; R428-Y432 WeakPolarHBondContact O-CD2 3.26Å; R428-Y432 WeakPolarHBondContact O-CE2 3.5Å; Y429-Y432 PolarHBondContact O-N 2.91Å; M430-Y432 VanDerWaalsContact C-N 3.26Å
433N64.1Low74.2Confident58 Ų5883.5 Ų83.531%0.3142%0.418SS..  trans-106.40177.5-62.4-72.8000108G216 N322 P324 Y429 M430G216-N433 VanDerWaalsContact C-CG 3.47Å; G216-N433 VanDerWaalsContact C-ND2 3.28Å; G216-N433 VanDerWaalsContact CA-CG 3.45Å; G216-N433 WeakPolarHBondContact CA-OD1 3.26Å; G216-N433 PolarHBondContact N-OD1 3.44Å; N322-N433 PolarHBondContact O-ND2 3.14Å; N322-N433 VanDerWaalsContact O-ND2 3.15Å; N322-N433 PolarHBondContact O-OD1 3.27Å; P324-N433 WeakPolarHBondContact CD-OD1 3.2Å; Y429-N433 PolarHBondContact O-N 3.16Å; Y429-N433 PolarHBondContact O-ND2 3.5Å; M430-N433 VanDerWaalsContact O-OXT 3.1Å

Retrieved 433 of 433 residues in 613.8 ms (Link to these results)