A0A087XH07_POEFO Loading...

Ribosomal L1 domain-containing protein 1

Regulates cellular senescence through inhibition of PTEN translation. Acts as a pro-apoptotic regulator in response to DNA damage.

AlphaFold DB , UniProt , Accession A0A087XH07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R34.9Very low33.2Very low282 Ų282155.5 Ų155.5100%1.06485%0.845SS**  058.80-66.1-170.1-177.7-178.31.8107.1
2D33.4Very low32.8Very low151 Ų151158.3 Ų158.381%0.80785%0.852SS**  71.596.573.5-63.8-58.2000111.4
3V33.8Very low32.6Very low129 Ų129164 Ų16478%0.78285%0.854SS**  trans-170.7127.9153.8-160.80000104.7
4D31.2Very low32.2Very low144 Ų144160.4 Ų160.477%0.7785%0.85SS**  cis-158146.82.4-111.2-25.3000110
5L35Very low32.2Very low169 Ų169161.1 Ų161.189%0.88585%0.853SS**  trans-77.9127.1166.6-77.2138.3000109.7
6T35.6Very low31.9Very low133 Ų133155.4 Ų155.482%0.81685%0.845SS**  trans-11599.4162.144.40000110.1
7A32.6Very low31.9Very low103 Ų103153.9 Ų153.985%0.85184%0.842SS**  trans-73.9122.517100000110
8S32.5Very low31.8Very low115 Ų115158.3 Ų158.380%0.80484%0.844SS**  trans-113.9109.5167.3-70.40000109.5V10S8-V10 PolarHBondContact O-N 3.43Å
9S32.3Very low31.8Very low118 Ų118158.9 Ų158.983%0.82584%0.841SS**  trans-64.4117.1178.5140.40000111.5
10V35.1Very low31.7Very low135 Ų135157.4 Ų157.482%0.81884%0.839SS**  trans-117.9113164.5-1800000109.4S8 M12S8-V10 PolarHBondContact O-N 3.43Å; V10-M12 PolarHBondContact O-N 3.28Å
11R28.9Very low31.8Very low231 Ų231157.2 Ų157.287%0.87284%0.838SS**  trans-50.6114.9173.7-86.5171.2160.7162.6-6.3112
12M28.3Very low31.4Very low189 Ų189147 Ų14793%0.93182%0.821SS**  trans-74.2122157-79.5-138.6-156.200109.9V10 S14V10-M12 PolarHBondContact O-N 3.28Å; M12-S14 PolarHBondContact O-N 3.45Å
13R29.8Very low31.5Very low233 Ų233148.9 Ų148.988%0.87983%0.827SS**  trans-83.7101.6164.9-69.5-179-168.7179.83.5108.3L15R13-L15 PolarHBondContact O-N 3.26Å
14S27.6Very low31.5Very low114 Ų114146.4 Ų146.480%0.79782%0.82SS**  trans-74102.8165.2560000109.3M12 G16M12-S14 PolarHBondContact O-N 3.45Å; S14-G16 PolarHBondContact O-N 3.13Å; S14-G16 VanDerWaalsContact O-N 3.13Å
15L32.4Very low31.7Very low170 Ų170148.2 Ų148.289%0.8982%0.824SS**  trans-72.898.7167.6-81.3158.3000108.1R13 T17R13-L15 PolarHBondContact O-N 3.26Å; L15-T17 PolarHBondContact O-N 2.89Å
16G27.7Very low32.1Very low70 Ų70146.1 Ų146.172%0.72281%0.813SS**  trans-63.1120.9176.400000111.9S14 R18S14-G16 PolarHBondContact O-N 3.13Å; S14-G16 VanDerWaalsContact O-N 3.13Å; G16-R18 PolarHBondContact O-N 3.37Å; G16-R18 VanDerWaalsContact O-N 3.12Å
17T31.2Very low32.9Very low131 Ų131142.6 Ų142.680%0.80479%0.792SS**  trans-59.3100.915631.30000109L15 E19L15-T17 PolarHBondContact O-N 2.89Å; T17-E19 VanDerWaalsContact C-N 3.31Å; T17-E19 PolarHBondContact O-N 3.35Å
18R30.4Very low34.1Very low233 Ų233145.3 Ų145.388%0.87979%0.787SS**  trans-86.978.9160.9-87.8179.4158.2166.5-5.3108.2G16 T20G16-R18 PolarHBondContact O-N 3.37Å; G16-R18 VanDerWaalsContact O-N 3.12Å; R18-T20 VanDerWaalsContact C-N 3.35Å; R18-T20 PolarHBondContact O-N 3.25Å; R18-T20 VanDerWaalsContact O-N 3.17Å
19E30.6Very low35.7Very low169 Ų169140.9 Ų140.979%0.7976%0.755SS**  trans-69.3100.1154.3-71.7-177145.800106.5T17 D21T17-E19 VanDerWaalsContact C-N 3.31Å; T17-E19 PolarHBondContact O-N 3.35Å; E19-D21 VanDerWaalsContact C-N 3.32Å; E19-D21 PolarHBondContact O-N 2.9Å; E19-D21 VanDerWaalsContact O-N 3.1Å
20T31.5Very low37.6Very low128 Ų128139.5 Ų139.579%0.78574%0.743SS**  trans-76.991.2168.953.30000107.8R18 G22R18-T20 VanDerWaalsContact C-N 3.35Å; R18-T20 PolarHBondContact O-N 3.25Å; R18-T20 VanDerWaalsContact O-N 3.17Å; T20-G22 PolarHBondContact O-N 3.38Å
21D32.5Very low39.8Very low154 Ų154135 Ų13582%0.82471%0.714SS**  trans-63.785.2159.6-86.7-29.7000109.1E19 M23E19-D21 VanDerWaalsContact C-N 3.32Å; E19-D21 PolarHBondContact O-N 2.9Å; E19-D21 VanDerWaalsContact O-N 3.1Å; D21-M23 PolarHBondContact O-N 3.47Å
22G27.4Very low42.6Very low68 Ų68128.2 Ų128.270%0.70170%0.695SS**  trans-80.292.1157.500000107.8T20 A24T20-G22 PolarHBondContact O-N 3.38Å; G22-A24 PolarHBondContact O-N 2.65Å
23M34.9Very low45.5Very low190 Ų190125.1 Ų125.194%0.93667%0.673SS**  trans-45.4103.8166.7-90.5169.915500109.3D21 E25D21-M23 PolarHBondContact O-N 3.47Å; M23-E25 PolarHBondContact O-N 2.95Å
24A34.4Very low48.4Very low77 Ų77116.4 Ų116.464%0.63665%0.651SS**  trans-68.9111163.900000105.9G22 N26G22-A24 PolarHBondContact O-N 2.65Å; A24-N26 PolarHBondContact O-N 2.89Å
25E35.7Very low51.5Low182 Ų182114.9 Ų114.985%0.8563%0.631SS**  trans-43.9102.9168.3-158.5175.1-156.700108.3M23 T27M23-E25 PolarHBondContact O-N 2.95Å; E25-T27 VanDerWaalsContact C-N 3.3Å; E25-T27 PolarHBondContact O-N 3.31Å; E25-T27 PolarHBondContact O-OG1 3.48Å
26N42.2Very low54.3Low125 Ų125106.8 Ų106.867%0.66859%0.589SS**  trans-62.995.1-177.8-81.7-41.2000107.3A24 E28A24-N26 PolarHBondContact O-N 2.89Å; N26-E28 HydrophobicContact CB-CG 4.32Å; N26-E28 PolarHBondContact O-N 3.35Å
27T52.1Low57.4Low60 Ų60107 Ų10737%0.36857%0.57SS.*  trans-74.879.6169.9-51.90000106.2E25 V29E25-T27 VanDerWaalsContact C-N 3.3Å; E25-T27 PolarHBondContact O-N 3.31Å; E25-T27 PolarHBondContact O-OG1 3.48Å; T27-V29 PolarHBondContact O-N 3.43Å
28E58Low60.4Low159 Ų159107.9 Ų107.974%0.74356%0.563SS**  trans-60.3122.1173.4-66-173.2173.900107.8N26 P30N26-E28 HydrophobicContact CB-CG 4.32Å; N26-E28 PolarHBondContact O-N 3.35Å; E28-P30 VanDerWaalsContact O-CD 3.23Å; E28-P30 WeakPolarHBondContact O-CD 3.5Å
29V66.2Low63.3Low23 Ų2397.4 Ų97.414%0.13953%0.526CS..  trans-81.7110.3170.2178.80000105.2T27 L31 V234 A238 Y264T27-V29 PolarHBondContact O-N 3.43Å; V29-L31 HydrophobicContact CG1-CD2 4.14Å; V29-L31 HydrophobicContact CG1-CG 4.36Å; V29-L31 PolarHBondContact O-N 3.3Å; V29-V234 HydrophobicContact CB-CG1 4.16Å; V29-V234 HydrophobicContact CG1-CG1 4.32Å; V29-V234 HydrophobicContact CG2-CG1 4.5Å; V29-A238 HydrophobicContact CG2-CB 4.22Å; V29-Y264 HydrophobicContact CG1-CD1 3.89Å; V29-Y264 HydrophobicContact CG1-CD2 3.7Å; V29-Y264 HydrophobicContact CG1-CE1 3.72Å; V29-Y264 HydrophobicContact CG1-CE2 3.55Å; V29-Y264 HydrophobicContact CG1-CG 3.87Å
30P73.4Confident66.3Low88 Ų8889.4 Ų89.457%0.57149%0.488SS*.  trans-65.5112.417727-32.2000107.5E28 Y264E28-P30 VanDerWaalsContact O-CD 3.23Å; E28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-Y264 HydrophobicContact CG-CE2 4.43Å; P30-Y264 WeakPolarHBondContact O-CD2 3.34Å
31L80.4Confident69.2Low41 Ų4187.8 Ų87.822%0.21547%0.472CS..  trans-107.7124.8174.8-70.9179.4000108.5V29 R33 V234 I251 I263 Y264V29-L31 HydrophobicContact CG1-CD2 4.14Å; V29-L31 HydrophobicContact CG1-CG 4.36Å; V29-L31 PolarHBondContact O-N 3.3Å; L31-R33 PolarHBondContact O-N 3.5Å; L31-V234 HydrophobicContact CD1-CB 3.6Å; L31-V234 HydrophobicContact CD1-CG1 3.69Å; L31-V234 HydrophobicContact CD1-CG2 3.83Å; L31-V234 HydrophobicContact CD2-CG1 4.47Å; L31-V234 HydrophobicContact CG-CG1 4.26Å; L31-I251 HydrophobicContact CD2-CD1 4.36Å; L31-I263 HydrophobicContact CD2-CG2 4.21Å; L31-Y264 HydrophobicContact CD2-CD2 4.18Å; L31-Y264 HydrophobicContact CD2-CG 4.17Å
32D87.9Confident72Confident88 Ų8882.8 Ų82.847%0.47145%0.452SS..  trans-77.8110.4169.4177.321.5000109.8A34 Q35 V36D32-A34 PolarHBondContact O-N 3.31Å; D32-A34 WeakPolarHBondContact OD1-CB 3.41Å; D32-A34 PolarHBondContact OD1-N 3.05Å; D32-Q35 HydrophobicContact CB-CB 4.06Å; D32-Q35 PolarHBondContact O-N 3.3Å; D32-Q35 PolarHBondContact OD2-N 3.48Å; D32-V36 WeakPolarHBondContact O-CG2 3.21Å; D32-V36 PolarHBondContact O-N 2.87Å; D32-V36 VanDerWaalsContact O-N 3.1Å
33R90.2Very high75Confident125 Ų12579.8 Ų79.847%0.47242%0.42SS..Hα-helixtrans-58.3-34.1177.6-175.6172.6-177.3-172.54.1111.9L31 V36 K37 E231L31-R33 PolarHBondContact O-N 3.5Å; R33-V36 PolarHBondContact O-N 3.08Å; R33-K37 WeakPolarHBondContact O-CB 3.34Å; R33-K37 PolarHBondContact O-N 3.12Å; R33-E231 VanDerWaalsContact CD-OE1 3.29Å; R33-E231 WeakPolarHBondContact CD-OE1 3.48Å; R33-E231 VanDerWaalsContact CG-OE1 3.25Å; R33-E231 WeakPolarHBondContact CG-OE1 3.23Å; R33-E231 IonicContact NE-OE1 3.76Å
34A90.5Very high77.6Confident50 Ų5071.6 Ų71.641%0.41338%0.379SS..Hα-helixtrans-67.1-43179.500000111.4D32 K37 K38D32-A34 PolarHBondContact O-N 3.31Å; D32-A34 WeakPolarHBondContact OD1-CB 3.41Å; D32-A34 PolarHBondContact OD1-N 3.05Å; A34-K37 PolarHBondContact O-N 3.03Å; A34-K38 WeakPolarHBondContact O-CG 3.43Å; A34-K38 PolarHBondContact O-N 3.25Å
35Q91.1Very high80.2Confident82 Ų8271.3 Ų71.338%0.38337%0.373SS..Hα-helixtrans-62.4-43.1174-175.3174.40.300112.3D32 K37 K38 A39 P262 I263D32-Q35 HydrophobicContact CB-CB 4.06Å; D32-Q35 PolarHBondContact O-N 3.3Å; D32-Q35 PolarHBondContact OD2-N 3.48Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3Å; Q35-K38 PolarHBondContact O-N 3.14Å; Q35-A39 WeakPolarHBondContact O-CB 3.5Å; Q35-A39 PolarHBondContact O-N 3.3Å; Q35-P262 PolarHBondContact NE2-O 3.18Å; Q35-P262 VanDerWaalsContact NE2-O 3.16Å; Q35-I263 PolarHBondContact NE2-O 2.98Å; Q35-I263 PolarHBondContact OE1-O 3.02Å
36V92.2Very high82.7Confident0 Ų066.7 Ų66.70%035%0.35CS..Hα-helixtrans-58.3-48.3176-178.30000110.1D32 R33 K38 A39 V40 T227 V230 I263D32-V36 WeakPolarHBondContact O-CG2 3.21Å; D32-V36 PolarHBondContact O-N 2.87Å; D32-V36 VanDerWaalsContact O-N 3.1Å; R33-V36 PolarHBondContact O-N 3.08Å; V36-K38 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.36Å; V36-V40 HydrophobicContact CG1-CG2 4.23Å; V36-V40 VanDerWaalsContact O-CG2 3.29Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 2.9Å; V36-T227 HydrophobicContact CG1-CG2 3.95Å; V36-V230 HydrophobicContact CG1-CB 4.15Å; V36-V230 HydrophobicContact CG1-CG1 3.9Å; V36-I263 HydrophobicContact CB-CG2 4.49Å; V36-I263 HydrophobicContact CG1-CD1 4.32Å; V36-I263 HydrophobicContact CG2-CG2 3.49Å; V36-I263 VanDerWaalsContact CG2-CG2 3.49Å
37K93.1Very high84.8Confident73 Ų7361.1 Ų61.132%0.31732%0.32SS..Hα-helixtrans-62-43.6-178.6-173.1163.9177.9158.70112.2R33 A34 Q35 A39 V40 Q41 D224 T227R33-K37 WeakPolarHBondContact O-CB 3.34Å; R33-K37 PolarHBondContact O-N 3.12Å; A34-K37 PolarHBondContact O-N 3.03Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3Å; K37-A39 PolarHBondContact O-N 3.24Å; K37-V40 PolarHBondContact O-N 3.38Å; K37-Q41 WeakPolarHBondContact O-CB 3.21Å; K37-Q41 VanDerWaalsContact O-CG 3.29Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.01Å; K37-D224 WeakPolarHBondContact CE-OD1 3.28Å; K37-D224 IonicContact NZ-OD1 2.63Å; K37-D224 PolarHBondContact NZ-OD1 3.45Å; K37-D224 IonicContact NZ-OD2 3.28Å; K37-T227 HydrophobicContact CB-CG2 3.9Å; K37-T227 HydrophobicContact CG-CG2 4.31Å
38K93.3Very high86.3Confident151 Ų15164.5 Ų64.566%0.65733%0.33SS*.Hα-helixtrans-60.3-44.8174.6-72.3175-178177.50111.8A34 Q35 V36 Q41 A42A34-K38 WeakPolarHBondContact O-CG 3.43Å; A34-K38 PolarHBondContact O-N 3.25Å; Q35-K38 PolarHBondContact O-N 3.14Å; V36-K38 PolarHBondContact O-N 3.3Å; K38-Q41 PolarHBondContact O-N 3.04Å; K38-A42 WeakPolarHBondContact O-CB 3.45Å; K38-A42 PolarHBondContact O-N 3.28Å
39A92.3Very high87.6Confident12 Ų1260.4 Ų60.410%0.09932%0.319CS..Hα-helixtrans-64.6-42178.800000112.1Q35 V36 K37 L43 L253 L261 I263Q35-A39 WeakPolarHBondContact O-CB 3.5Å; Q35-A39 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.36Å; K37-A39 PolarHBondContact O-N 3.24Å; A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 PolarHBondContact O-N 3.13Å; A39-L253 HydrophobicContact CB-CD2 4.45Å; A39-L261 HydrophobicContact CB-CB 4.27Å; A39-L261 HydrophobicContact CB-CD1 4.18Å; A39-L261 VanDerWaalsContact O-CD1 3.24Å; A39-L261 WeakPolarHBondContact O-CD1 3.36Å; A39-I263 HydrophobicContact CB-CG1 4.23Å
40V92.5Very high88.1Confident1 Ų162.7 Ų62.71%0.00633%0.327CS..Hα-helixtrans-63.6-46.2176.3170.70000111V36 K37 L43 Q44 A223 V226 T227 L253V36-V40 HydrophobicContact CG1-CG2 4.23Å; V36-V40 VanDerWaalsContact O-CG2 3.29Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 2.9Å; K37-V40 PolarHBondContact O-N 3.38Å; V40-L43 PolarHBondContact O-N 2.86Å; V40-Q44 HydrophobicContact CG1-CG 4.36Å; V40-Q44 WeakPolarHBondContact O-CB 3.48Å; V40-Q44 WeakPolarHBondContact O-CG 3.19Å; V40-Q44 PolarHBondContact O-N 3.34Å; V40-A223 HydrophobicContact CG1-CB 4.01Å; V40-V226 HydrophobicContact CB-CG1 4.49Å; V40-V226 HydrophobicContact CG1-CB 3.87Å; V40-V226 HydrophobicContact CG1-CG1 3.84Å; V40-V226 HydrophobicContact CG1-CG2 4.5Å; V40-V226 HydrophobicContact CG2-CB 4.41Å; V40-V226 HydrophobicContact CG2-CG1 3.73Å; V40-T227 HydrophobicContact CG2-CG2 4.26Å; V40-L253 HydrophobicContact CB-CD2 4.47Å; V40-L253 HydrophobicContact CG2-CD2 3.73Å
41Q92.7Very high87.8Confident95 Ų9561.1 Ų61.144%0.44432%0.318SS..Hα-helixtrans-61.3-46.3178.2-74.8175.4-14.300111.9K37 K38 L43 Q44 S45 A223K37-Q41 WeakPolarHBondContact O-CB 3.21Å; K37-Q41 VanDerWaalsContact O-CG 3.29Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.01Å; K38-Q41 PolarHBondContact O-N 3.04Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.36Å; Q41-Q44 PolarHBondContact O-N 3.49Å; Q41-S45 PolarHBondContact O-N 3.35Å; Q41-S45 PolarHBondContact O-OG 3.46Å; Q41-A223 HydrophobicContact CG-CB 4.21Å
42A92Very high87Confident49 Ų4967.2 Ų67.241%0.40534%0.343SS..Hα-helixtrans-60.6-39.9176.600000112K38 S45 F46 L261K38-A42 WeakPolarHBondContact O-CB 3.45Å; K38-A42 PolarHBondContact O-N 3.28Å; A42-S45 WeakPolarHBondContact CA-OG 3.4Å; A42-S45 PolarHBondContact O-OG 2.98Å; A42-F46 PolarHBondContact O-N 2.86Å; A42-F46 VanDerWaalsContact O-N 3.15Å; A42-L261 HydrophobicContact CB-CD1 4.26Å
43L90.4Very high85.7Confident4 Ų467.3 Ų67.32%0.02136%0.355CS..Hα-helixtrans-67.3-46.5176.7-174.963.8000111.4A39 V40 Q41 S45 F46 L47 I64 L253 S258 L261A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 PolarHBondContact O-N 3.13Å; V40-L43 PolarHBondContact O-N 2.86Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.36Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.02Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.23Å; L43-I64 HydrophobicContact CD2-CD1 4.32Å; L43-I64 HydrophobicContact CD2-CG1 4.12Å; L43-I64 HydrophobicContact CD2-CG2 3.78Å; L43-L253 HydrophobicContact CD2-CD2 3.82Å; L43-L253 HydrophobicContact CD2-CG 3.84Å; L43-S258 WeakPolarHBondContact CD1-OG 3.27Å; L43-L261 HydrophobicContact CB-CD1 4.22Å
44Q89.4Confident84.2Confident19 Ų1965.3 Ų65.39%0.08935%0.354CS..Hα-helixtrans-63.3-39178.1-74.2-179.1-13.300112.1V40 Q41 F46 L47 K48 M221V40-Q44 HydrophobicContact CG1-CG 4.36Å; V40-Q44 WeakPolarHBondContact O-CB 3.48Å; V40-Q44 WeakPolarHBondContact O-CG 3.19Å; V40-Q44 PolarHBondContact O-N 3.34Å; Q41-Q44 PolarHBondContact O-N 3.49Å; Q44-F46 VanDerWaalsContact C-N 3.31Å; Q44-F46 PolarHBondContact O-N 2.89Å; Q44-L47 PolarHBondContact O-N 3.4Å; Q44-K48 WeakPolarHBondContact O-CB 3.4Å; Q44-K48 VanDerWaalsContact O-CG 3.3Å; Q44-K48 WeakPolarHBondContact O-CG 3.45Å; Q44-K48 PolarHBondContact O-N 2.81Å; Q44-M221 PolarHBondContact NE2-O 2.67Å
45S88.8Confident82.7Confident71 Ų7168.6 Ų68.650%0.49737%0.369SS..Hα-helixtrans-62.1-40174.455.10000112Q41 A42 L43 K48 S49Q41-S45 PolarHBondContact O-N 3.35Å; Q41-S45 PolarHBondContact O-OG 3.46Å; A42-S45 WeakPolarHBondContact CA-OG 3.4Å; A42-S45 PolarHBondContact O-OG 2.98Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.02Å; S45-K48 PolarHBondContact O-N 3.03Å; S45-S49 PolarHBondContact O-N 3.25Å; S45-S49 PolarHBondContact O-OG 3.32Å
46F88.7Confident81.1Confident84 Ų8472.8 Ų72.837%0.36839%0.393SS..Hα-helixtrans-65.7-43.1176.2176-98.1000112.1A42 L43 Q44 K48 S49 K50A42-F46 PolarHBondContact O-N 2.86Å; A42-F46 VanDerWaalsContact O-N 3.15Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.27Å; Q44-F46 VanDerWaalsContact C-N 3.31Å; Q44-F46 PolarHBondContact O-N 2.89Å; F46-K48 VanDerWaalsContact C-N 3.35Å; F46-K48 PolarHBondContact O-N 2.68Å; F46-S49 WeakPolarHBondContact CA-OG 3.36Å; F46-S49 PolarHBondContact O-N 3.48Å; F46-S49 PolarHBondContact O-OG 3.1Å; F46-K50 HydrophobicContact CE1-CD 4.21Å; F46-K50 HydrophobicContact CZ-CD 4.22Å; F46-K50 WeakPolarHBondContact O-CB 3.45Å; F46-K50 PolarHBondContact O-N 3.47Å
47L85.9Confident79.3Confident8 Ų878.8 Ų78.84%0.04242%0.424CS..Hα-helixtrans-63.8-41.8178-65.6174.3000111.2L43 Q44 K50 S51 Q62 I64L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.23Å; Q44-L47 PolarHBondContact O-N 3.4Å; L47-K50 PolarHBondContact O-N 3.47Å; L47-S51 PolarHBondContact O-N 3.25Å; L47-S51 PolarHBondContact O-OG 3.48Å; L47-Q62 HydrophobicContact CD2-CB 4.23Å; L47-I64 HydrophobicContact CD1-CD1 4.35Å; L47-I64 HydrophobicContact CD1-CG1 4.2Å
48K84.3Confident77.6Confident131 Ų13182.6 Ų82.657%0.5745%0.447SS*.Hα-helixtrans-66.4-34.6175.3-72.3176.6-179-177.90113.4Q44 S45 F46 K50 S51Q44-K48 WeakPolarHBondContact O-CB 3.4Å; Q44-K48 VanDerWaalsContact O-CG 3.3Å; Q44-K48 WeakPolarHBondContact O-CG 3.45Å; Q44-K48 PolarHBondContact O-N 2.81Å; S45-K48 PolarHBondContact O-N 3.03Å; F46-K48 VanDerWaalsContact C-N 3.35Å; F46-K48 PolarHBondContact O-N 2.68Å; K48-K50 VanDerWaalsContact C-N 3.29Å; K48-S51 PolarHBondContact O-OG 3.18Å
49S83.5Confident75.8Confident73 Ų7381 Ų8151%0.5145%0.446SS..Hα-helixtrans-68.9-32.5173.656.60000112S45 F46S45-S49 PolarHBondContact O-N 3.25Å; S45-S49 PolarHBondContact O-OG 3.32Å; F46-S49 WeakPolarHBondContact CA-OG 3.36Å; F46-S49 PolarHBondContact O-N 3.48Å; F46-S49 PolarHBondContact O-OG 3.1Å
50K78.5Confident74.3Confident71 Ų7185.6 Ų85.631%0.30947%0.469SS..Hα-helixtrans-83-37-176.4-166.8168-178.9173.10113.1F46 L47 K48 K52 A53 T257F46-K50 HydrophobicContact CE1-CD 4.21Å; F46-K50 HydrophobicContact CZ-CD 4.22Å; F46-K50 WeakPolarHBondContact O-CB 3.45Å; F46-K50 PolarHBondContact O-N 3.47Å; L47-K50 PolarHBondContact O-N 3.47Å; K48-K50 VanDerWaalsContact C-N 3.29Å; K50-K52 PolarHBondContact O-N 3.24Å; K50-A53 PolarHBondContact O-N 2.93Å; K50-T257 PolarHBondContact NZ-OG1 3.33Å; K50-T257 VanDerWaalsContact NZ-OG1 3.17Å
51S66.8Low73.3Confident55 Ų5586.3 Ų86.339%0.38548%0.476SS..Hα-helixtrans-62.4-30.1177.460.40000113.1L47 K48 A53 D54L47-S51 PolarHBondContact O-N 3.25Å; L47-S51 PolarHBondContact O-OG 3.48Å; K48-S51 PolarHBondContact O-OG 3.18Å; S51-A53 PolarHBondContact O-N 3.17Å; S51-D54 PolarHBondContact O-N 3.1Å; S51-D54 VanDerWaalsContact O-N 3.17Å
52K62.8Low72.8Confident170 Ų17084.1 Ų84.174%0.73947%0.466SS*.THydrogen-bonded Turntrans-62.8-24.6173.6-70.5-179.7-178.5-1750114K50 V55K50-K52 PolarHBondContact O-N 3.24Å; K52-V55 WeakPolarHBondContact O-CG2 3.37Å
53A61.5Low72.6Confident89 Ų8983.6 Ų83.674%0.73646%0.459SS*.THydrogen-bonded Turntrans-88.3-17.3178.300000112.7K50 S51K50-A53 PolarHBondContact O-N 2.93Å; S51-A53 PolarHBondContact O-N 3.17Å
54D58.6Low72.6Confident83 Ų8383.4 Ų83.444%0.44446%0.458SS..  trans-124.334.7-164.8-1332.7000111.9S51 L56 L57S51-D54 PolarHBondContact O-N 3.1Å; S51-D54 VanDerWaalsContact O-N 3.17Å; D54-L56 PolarHBondContact O-N 3.42Å; D54-L57 PolarHBondContact O-N 3.46Å
55V58.5Low72.8Confident119 Ų11983.1 Ų83.172%0.72146%0.458SS*.THydrogen-bonded Turntrans-58.7-9.8-170.6-177.70000114.2K52K52-V55 WeakPolarHBondContact O-CG2 3.37Å
56L57.4Low73Confident171 Ų17179.8 Ų79.890%0.89543%0.434SS*.THydrogen-bonded Turntrans-89.3-11.8-176.2-68.4173.8000114.6D54D54-L56 PolarHBondContact O-N 3.42Å
57L54.7Low73.3Confident126 Ų12677.7 Ų77.766%0.6643%0.427SS*.SBendtrans-96.8124174.4-57.8-175.1000108.3D54 D59D54-L57 PolarHBondContact O-N 3.46Å; L57-D59 PolarHBondContact O-N 2.88Å
58L56.6Low73.5Confident153 Ų15377.4 Ų77.480%0.80143%0.425SS*.  trans-35.9128.2174-66.7153.8000109.5D60L58-D60 PolarHBondContact O-N 2.9Å
59D56.4Low73.9Confident118 Ų11872.1 Ų72.163%0.63140%0.404SS*.  trans-69.751-176.4-172.238.7000111.9L57 G61L57-D59 PolarHBondContact O-N 2.88Å; D59-G61 PolarHBondContact O-N 2.86Å
60D60.4Low74.1Confident107 Ų10769 Ų6957%0.57238%0.381SS*.  trans-7284.7166.3-70.8-32.2000106.4L58 Q62L58-D60 PolarHBondContact O-N 2.9Å; D60-Q62 PolarHBondContact O-N 3.04Å
61G70.6Confident74.4Confident16 Ų1668.6 Ų68.617%0.16538%0.378CS..  trans-37.4127.5-169.100000114D59 S219D59-G61 PolarHBondContact O-N 2.86Å; G61-S219 VanDerWaalsContact C-OG 3.28Å; G61-S219 WeakPolarHBondContact CA-OG 2.89Å
62Q82.6Confident75.3Confident49 Ų4970.9 Ų70.923%0.22938%0.381CS..PPolyproline II helixtrans-58.6130.7-170.9-67.1-167.85.700111.7L47 D60 I64 H218 S219L47-Q62 HydrophobicContact CD2-CB 4.23Å; D60-Q62 PolarHBondContact O-N 3.04Å; Q62-I64 PolarHBondContact O-N 2.75Å; Q62-H218 CarbonylContact O-C 3.52Å; Q62-H218 WeakPolarHBondContact O-CA 3.45Å; Q62-S219 PolarHBondContact N-OG 3.45Å; Q62-S219 PolarHBondContact O-N 3.48Å
63P88.2Confident76.4Confident38 Ų3866.2 Ų66.225%0.24736%0.363CS..EExtended strand (participates in β ladder)trans-72.8126.6-17527.4-34.2000111.6R215 S255P63-R215 HydrophobicContact CB-CG 3.97Å; P63-S255 PolarHBondContact O-OG 3.2Å
64I91.3Very high77.5Confident1 Ų162.2 Ų62.21%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-90.5126.8172.4-59.1173.8000108.6L43 L47 Q62 V216 A217 L253L43-I64 HydrophobicContact CD2-CD1 4.32Å; L43-I64 HydrophobicContact CD2-CG1 4.12Å; L43-I64 HydrophobicContact CD2-CG2 3.78Å; L47-I64 HydrophobicContact CD1-CD1 4.35Å; L47-I64 HydrophobicContact CD1-CG1 4.2Å; Q62-I64 PolarHBondContact O-N 2.75Å; I64-V216 PolarHBondContact O-N 3Å; I64-A217 HydrophobicContact CB-CB 4.18Å; I64-A217 HydrophobicContact CD1-CB 4.46Å; I64-A217 PolarHBondContact N-O 3.26Å; I64-A217 PolarHBondContact O-N 3.17Å; I64-L253 HydrophobicContact CG2-CD1 3.56Å; I64-L253 HydrophobicContact CG2-CG 4.06Å
65S93Very high78.7Confident13 Ų1369.4 Ų69.49%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-124.4146.4-176.8-57.90000112.1A214 K254S65-A214 CarbonylContact C-O 3.53Å; S65-A214 WeakPolarHBondContact CA-O 3.42Å; S65-A214 WeakPolarHBondContact CB-O 3.36Å; S65-K254 CarbonylContact C-O 3.44Å; S65-K254 WeakPolarHBondContact CA-O 3.36Å; S65-K254 PolarHBondContact N-O 3.32Å; S65-K254 PolarHBondContact O-N 2.92Å
66L93.6Very high80Confident0 Ų070.7 Ų70.70%035%0.349CS..EExtended strand (participates in β ladder)trans-95130.2167.4-69.9179.2000110.1F68 M213 A214 V216 V230 A233 V234 I251 H252 L253 I263L66-F68 HydrophobicContact CB-CD2 4.45Å; L66-F68 HydrophobicContact CB-CE2 3.76Å; L66-F68 HydrophobicContact CB-CZ 4.11Å; L66-F68 HydrophobicContact CD1-CE2 4.41Å; L66-F68 HydrophobicContact CD1-CZ 4Å; L66-M213 CarbonylContact O-C 3.58Å; L66-M213 VanDerWaalsContact O-CA 3.29Å; L66-M213 WeakPolarHBondContact O-CA 3.23Å; L66-A214 PolarHBondContact N-O 3.09Å; L66-A214 PolarHBondContact O-N 3.18Å; L66-V216 HydrophobicContact CB-CG2 4.1Å; L66-V216 HydrophobicContact CD1-CG2 3.7Å; L66-V216 HydrophobicContact CG-CB 4.4Å; L66-V216 HydrophobicContact CG-CG2 3.7Å; L66-V230 HydrophobicContact CD1-CB 4.34Å; L66-V230 HydrophobicContact CD1-CG1 3.97Å; L66-V230 HydrophobicContact CD1-CG2 4.17Å; L66-V230 HydrophobicContact CD2-CG1 4.1Å; L66-V230 HydrophobicContact CD2-CG2 4.12Å; L66-V230 HydrophobicContact CG-CG2 4.35Å; L66-A233 HydrophobicContact CD1-CB 4.09Å; L66-V234 HydrophobicContact CD1-CG2 4.3Å; L66-I251 HydrophobicContact CD2-CG2 4.15Å; L66-H252 CarbonylContact C-O 3.55Å; L66-H252 WeakPolarHBondContact CA-O 3.44Å; L66-L253 HydrophobicContact CD2-CB 4.4Å; L66-L253 HydrophobicContact CD2-CD1 3.5Å; L66-L253 VanDerWaalsContact CD2-CD1 3.5Å; L66-L253 HydrophobicContact CG-CD1 4.34Å; L66-I263 HydrophobicContact CD2-CD1 4.13Å
67L93.6Very high81.4Confident40 Ų4065.6 Ų65.621%0.20933%0.325CS..EExtended strand (participates in β ladder)trans-104.4113.2172.7178.968.8000109.3C211 M213 I251 H252L67-C211 HydrophobicContact CD1-CB 4.13Å; L67-M213 HydrophobicContact CD1-CB 4.18Å; L67-I251 WeakPolarHBondContact O-CA 3.3Å; L67-H252 HydrophobicContact CB-CB 4.2Å; L67-H252 PolarHBondContact N-O 3.18Å; L67-H252 PolarHBondContact O-N 2.89Å
68F91.6Very high82.9Confident3 Ų361.1 Ų61.11%0.01330%0.3CS..EExtended strand (participates in β ladder)trans-93.1125174.6-62.3-88.6000109.8L66 L203 C211 S212 A214 V234 V237 I251L66-F68 HydrophobicContact CB-CD2 4.45Å; L66-F68 HydrophobicContact CB-CE2 3.76Å; L66-F68 HydrophobicContact CB-CZ 4.11Å; L66-F68 HydrophobicContact CD1-CE2 4.41Å; L66-F68 HydrophobicContact CD1-CZ 4Å; F68-L203 HydrophobicContact CD2-CD1 4.04Å; F68-L203 HydrophobicContact CD2-CD2 3.85Å; F68-L203 HydrophobicContact CE2-CD1 4.49Å; F68-L203 HydrophobicContact CE2-CD2 4.1Å; F68-L203 HydrophobicContact CG-CD2 4.4Å; F68-C211 CarbonylContact O-C 3.59Å; F68-C211 VanDerWaalsContact O-CA 3.31Å; F68-C211 WeakPolarHBondContact O-CA 3.28Å; F68-S212 PolarHBondContact N-O 2.93Å; F68-S212 PolarHBondContact O-N 3.32Å; F68-A214 HydrophobicContact CE2-CB 4.46Å; F68-V234 HydrophobicContact CE1-CG2 4.07Å; F68-V234 HydrophobicContact CZ-CG2 4.3Å; F68-V237 HydrophobicContact CD1-CG1 4.24Å; F68-V237 HydrophobicContact CE1-CB 4.28Å; F68-V237 HydrophobicContact CE1-CG1 4.1Å; F68-V237 HydrophobicContact CE1-CG2 4.39Å; F68-V237 HydrophobicContact CE2-CG2 4.34Å; F68-V237 HydrophobicContact CZ-CB 4.35Å; F68-V237 HydrophobicContact CZ-CG1 4.45Å; F68-V237 HydrophobicContact CZ-CG2 3.98Å; F68-I251 HydrophobicContact CD1-CD1 4.34Å; F68-I251 HydrophobicContact CD1-CG1 4.07Å; F68-I251 HydrophobicContact CD1-CG2 4.46Å; F68-I251 HydrophobicContact CE1-CD1 4.14Å; F68-I251 HydrophobicContact CE1-CG1 4.29Å; F68-I251 HydrophobicContact CE1-CG2 4.29Å
69T91.2Very high84.5Confident19 Ų1957 Ų5712%0.11728%0.282CS..EExtended strand (participates in β ladder)trans-107127.5168.6-51.60000108.8K249 L250T69-K249 HydrophobicContact CG2-CB 4.44Å; T69-K249 HydrophobicContact CG2-CD 4.33Å; T69-K249 WeakPolarHBondContact O-CA 3.5Å; T69-K249 WeakPolarHBondContact O-CB 3.39Å; T69-K249 PolarHBondContact O-N 2.85Å; T69-L250 PolarHBondContact N-O 3.22Å; T69-L250 PolarHBondContact O-N 3.01Å
70L88.9Confident86Confident7 Ų751.7 Ų51.74%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-104.1143.9-177.6-56.4-179.3000110.8K72 V205 C210 L241 M243 I247 V248L70-K72 VanDerWaalsContact C-N 3.31Å; L70-V205 HydrophobicContact CD1-CG1 3.62Å; L70-C210 PolarHBondContact N-O 2.79Å; L70-C210 WeakPolarHBondContact O-CB 3.46Å; L70-L241 HydrophobicContact CD2-CD2 4.12Å; L70-M243 HydrophobicContact CD1-CE 4.17Å; L70-I247 WeakPolarHBondContact CA-O 3.44Å; L70-I247 HydrophobicContact CB-CG2 3.85Å; L70-I247 HydrophobicContact CD1-CG2 4.32Å; L70-I247 HydrophobicContact CD2-CG2 3.81Å; L70-I247 HydrophobicContact CG-CG2 4.18Å; L70-V248 HydrophobicContact CD2-CG2 4.24Å
71W84.9Confident87.4Confident64 Ų6451.6 Ų51.624%0.24225%0.245CC..SBendtrans-66.1-35.3171.3-78.7110.7000112.7I247 K249 S266 L268 I271 L274W71-I247 PolarHBondContact N-O 2.87Å; W71-K249 HydrophobicContact CD2-CB 3.96Å; W71-K249 HydrophobicContact CD2-CD 3.97Å; W71-K249 HydrophobicContact CD2-CG 4.03Å; W71-K249 HydrophobicContact CE3-CD 3.93Å; W71-K249 HydrophobicContact CE3-CG 4.47Å; W71-K249 HydrophobicContact CG-CB 3.98Å; W71-K249 HydrophobicContact CH2-CD 3.69Å; W71-K249 VanDerWaalsContact CH2-CE 3.46Å; W71-K249 HydrophobicContact CH2-CG 4Å; W71-K249 HydrophobicContact CZ2-CB 4.23Å; W71-K249 HydrophobicContact CZ2-CD 3.79Å; W71-K249 HydrophobicContact CZ2-CG 3.55Å; W71-K249 HydrophobicContact CZ3-CD 3.79Å; W71-K249 HydrophobicContact CZ3-CG 4.46Å; W71-S266 PolarHBondContact NE1-OG 3.17Å; W71-L268 HydrophobicContact CH2-CD2 4.23Å; W71-I271 HydrophobicContact CD2-CG1 4.46Å; W71-I271 HydrophobicContact CE3-CG1 4.15Å; W71-I271 HydrophobicContact CH2-CD1 3.24Å; W71-I271 HydrophobicContact CH2-CG1 3.35Å; W71-I271 HydrophobicContact CZ2-CD1 3.92Å; W71-I271 HydrophobicContact CZ2-CG1 3.65Å; W71-I271 HydrophobicContact CZ3-CD1 3.67Å; W71-I271 HydrophobicContact CZ3-CG1 3.6Å; W71-L274 HydrophobicContact CB-CD1 3.62Å; W71-L274 HydrophobicContact CG-CD1 3.82Å
72K84.7Confident88.4Confident103 Ų10350.9 Ų50.945%0.44824%0.238SC..SBendtrans-129.1130.3-176.7-171.4175.7-178.3177.60109.8L70L70-K72 VanDerWaalsContact C-N 3.31Å
73I86.8Confident88.7Confident72 Ų7251 Ų5137%0.36924%0.242SC..  trans-74.5130.3175.2-55.3175.4000108.1N207 C210I73-N207 VanDerWaalsContact CG2-C 3.44Å; I73-N207 VanDerWaalsContact CG2-O 3.28Å; I73-N207 WeakPolarHBondContact CG2-O 3.49Å; I73-C210 HydrophobicContact CG1-CB 4.21Å
74P83.8Confident88.8Confident4 Ų449.7 Ų49.73%0.02623%0.233CC..  trans-65.3149.4177.327.7-34.8000111.2Q76 V205 N207 M243P74-Q76 VanDerWaalsContact C-N 3.34Å; P74-V205 HydrophobicContact CG-CB 4.47Å; P74-V205 HydrophobicContact CG-CG1 3.6Å; P74-N207 WeakPolarHBondContact O-CB 3.4Å; P74-M243 HydrophobicContact CB-CE 4.05Å; P74-M243 HydrophobicContact CB-CG 4.48Å; P74-M243 HydrophobicContact CB-SD 3.79Å; P74-M243 HydrophobicContact CG-CE 4.47Å
75R84.4Confident88.7Confident235 Ų23552.7 Ų52.789%0.88725%0.253SS*.SBendtrans-68.7-34.4178.7-68-175173.9179.5-1.2112.6
76Q85.8Confident88.4Confident145 Ų14554.5 Ų54.568%0.67826%0.26SS*.SBendtrans-122.3142.8-179.9-169.4177.318.500109.4P74 Q78P74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-Q78 PolarHBondContact O-N 3.18Å
77T86.6Confident87.9Confident65 Ų6555.8 Ų55.840%0.39927%0.273SS..  trans-62.4129.7172.5-60.60000110.1T204 V205T77-T204 HydrophobicContact CG2-CG2 4.05Å; T77-V205 CarbonylContact C-O 3.58Å; T77-V205 VanDerWaalsContact CA-O 3.31Å; T77-V205 WeakPolarHBondContact CA-O 3.18Å; T77-V205 WeakPolarHBondContact CG2-O 3.25Å
78Q87Confident87.3Confident31 Ų3154.3 Ų54.315%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-122.6134.7-179.8-64.4175.325.100109Q76 V205Q76-Q78 PolarHBondContact O-N 3.18Å; Q78-V205 PolarHBondContact N-O 3.35Å; Q78-V205 PolarHBondContact O-N 2.79Å
79T88.4Confident86.7Confident66 Ų6656.7 Ų56.741%0.40527%0.274SS..EExtended strand (participates in β ladder)trans-104.6116168.7-61.40000108.1
80I88.8Confident85.9Confident7 Ų758.1 Ų58.14%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-99.3126.9178.3-59.5172.8000107.9I82 R202 L203 V205 K240 L241I80-I82 HydrophobicContact CG2-CG1 4.22Å; I80-R202 CarbonylContact O-C 3.58Å; I80-R202 WeakPolarHBondContact O-CA 3.5Å; I80-L203 HydrophobicContact CB-CB 4.43Å; I80-L203 PolarHBondContact N-O 3.18Å; I80-L203 PolarHBondContact O-N 2.92Å; I80-V205 HydrophobicContact CD1-CG2 4.22Å; I80-K240 HydrophobicContact CG1-CB 4.43Å; I80-K240 HydrophobicContact CG2-CB 3.65Å; I80-K240 HydrophobicContact CG2-CD 3.8Å; I80-K240 HydrophobicContact CG2-CG 4.33Å; I80-L241 HydrophobicContact CD1-CB 4.42Å; I80-L241 HydrophobicContact CD1-CD1 4.07Å
81R89Confident85Confident105 Ų10565.7 Ų65.740%0.39633%0.325SS..EExtended strand (participates in β ladder)trans-89.2125.5170.9-60.1-177.4-173.1-168.3-1.2108.9S182 K240R81-S182 PolarHBondContact NH1-O 3.3Å; R81-S182 PolarHBondContact NH2-O 3.13Å; R81-S182 PolarHBondContact NH2-OG 3.12Å; R81-K240 PolarHBondContact O-NZ 3.26Å
82I91.1Very high84.6Confident2 Ų267.2 Ų67.21%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-112.6102.5-177.6-58.3171000107.1I80 L84 G200 T201 L203 A214 A233 T236 V237I80-I82 HydrophobicContact CG2-CG1 4.22Å; I82-L84 HydrophobicContact CG2-CD2 3.89Å; I82-L84 PolarHBondContact O-N 3.2Å; I82-G200 CarbonylContact O-C 3.56Å; I82-G200 WeakPolarHBondContact O-CA 3.25Å; I82-T201 WeakPolarHBondContact CA-O 3.44Å; I82-T201 PolarHBondContact N-O 3.28Å; I82-T201 PolarHBondContact O-N 3.31Å; I82-L203 HydrophobicContact CD1-CB 3.83Å; I82-A214 HydrophobicContact CD1-CB 4.38Å; I82-A233 HydrophobicContact CG2-CB 3.9Å; I82-T236 HydrophobicContact CG1-CG2 4.33Å; I82-T236 HydrophobicContact CG2-CG2 4.49Å; I82-V237 HydrophobicContact CD1-CG2 3.49Å; I82-V237 VanDerWaalsContact CD1-CG2 3.49Å; I82-V237 HydrophobicContact CG1-CG2 4.07Å
83P89.4Confident84.5Confident51 Ų5164 Ų6433%0.33133%0.329SS..  trans-69.4129169.130.6-27.9000108.1R196P83-R196 HydrophobicContact CB-CG 4.07Å
84L91Very high84.6Confident10 Ų1064.5 Ų64.55%0.05233%0.33CS..  trans-102.4144.5174.5-64.2179.1000109.3I82 Q88 T201 V216 N229 A233I82-L84 HydrophobicContact CG2-CD2 3.89Å; I82-L84 PolarHBondContact O-N 3.2Å; L84-Q88 HydrophobicContact CD1-CB 4.35Å; L84-T201 VanDerWaalsContact CD1-OG1 3.22Å; L84-T201 WeakPolarHBondContact CD1-OG1 3.1Å; L84-V216 WeakPolarHBondContact CD1-O 3.23Å; L84-V216 HydrophobicContact CD2-CG1 4.29Å; L84-N229 HydrophobicContact CD2-CB 4.24Å; L84-A233 HydrophobicContact CD2-CB 4.2Å
85P88Confident84.9Confident64 Ų6464.4 Ų64.442%0.41633%0.329SS..SBendtrans-66.9-39.9172.924-29.7000111.7E228 N229 A232P85-E228 HydrophobicContact CG-CB 4.4Å; P85-N229 WeakPolarHBondContact CD-OD1 3.48Å; P85-N229 VanDerWaalsContact CG-OD1 3.23Å; P85-N229 WeakPolarHBondContact CG-OD1 3.44Å; P85-A232 HydrophobicContact CG-CB 4.22Å
86H88.6Confident85.3Confident51 Ų5153.2 Ų53.224%0.23629%0.287CS..SBendtrans-110.9133.1178.6-54.1-67.1000110.9Q88 M221 E225 E228 N229H86-Q88 PolarHBondContact O-N 3.33Å; H86-M221 HydrophobicContact CB-CE 4.04Å; H86-E225 HydrophobicContact CB-CB 4.32Å; H86-E228 IonicContact CD2-OE2 3.31Å; H86-E228 IonicContact CE1-OE2 3.79Å; H86-E228 IonicContact NE2-OE2 2.77Å; H86-E228 PolarHBondContact NE2-OE2 3.19Å; H86-N229 WeakPolarHBondContact CB-OD1 3.38Å; H86-N229 PolarHBondContact N-OD1 3.04Å; H86-N229 PolarHBondContact O-ND2 3.4Å; H86-N229 PolarHBondContact O-OD1 3.46Å
87G81.4Confident85.6Confident27 Ų2746.4 Ų46.428%0.27826%0.256SS..  trans-72.9115.8-174.400000112.5R89 M221G87-R89 PolarHBondContact O-N 3.29Å; G87-M221 WeakPolarHBondContact O-CE 3.32Å
88Q81.2Confident86Confident10 Ų1043.4 Ų43.45%0.04724%0.237CC..  trans-71.5-15.7-179.471.8-176.7-12.500114.8L84 H86 T201 R215 V216 H218L84-Q88 HydrophobicContact CD1-CB 4.35Å; H86-Q88 PolarHBondContact O-N 3.33Å; Q88-T201 PolarHBondContact NE2-OG1 3.01Å; Q88-T201 PolarHBondContact OE1-OG1 3.39Å; Q88-R215 VanDerWaalsContact OE1-CG 3.29Å; Q88-R215 PolarHBondContact OE1-O 3.36Å; Q88-V216 VanDerWaalsContact OE1-N 3.12Å; Q88-H218 PolarHBondContact O-ND1 3.16Å
89R79.9Confident86.2Confident52 Ų5241.9 Ų41.920%0.19623%0.23CC..SBendtrans-87.2143-170.9-68.3-171.5176.5-91.56.2110.4G87 D93 M154 V198G87-R89 PolarHBondContact O-N 3.29Å; R89-D93 HydrophobicContact CB-CB 4.43Å; R89-D93 VanDerWaalsContact CB-OD2 3.22Å; R89-D93 WeakPolarHBondContact CB-OD2 3.33Å; R89-D93 WeakPolarHBondContact CD-OD2 3.23Å; R89-D93 WeakPolarHBondContact CG-OD2 3.37Å; R89-D93 IonicContact CZ-OD2 3.72Å; R89-D93 IonicContact NE-OD2 3.82Å; R89-D93 IonicContact NH1-OD2 2.68Å; R89-D93 PolarHBondContact NH1-OD2 2.9Å; R89-M154 VanDerWaalsContact CZ-SD 3.51Å; R89-M154 PolarHBondContact NE-SD 3.34Å; R89-M154 PolarHBondContact NH2-SD 3.37Å; R89-V198 VanDerWaalsContact CD-O 3.25Å; R89-V198 WeakPolarHBondContact CD-O 3.34Å; R89-V198 PolarHBondContact NE-O 2.76Å
90S73.5Confident86.3Confident49 Ų4942.8 Ų42.834%0.34323%0.228SC..  trans-76.2159.717145.80000110.5T92 D93S90-T92 WeakPolarHBondContact CB-OG1 3.43Å; S90-T92 PolarHBondContact O-N 2.89Å; S90-T92 VanDerWaalsContact O-N 3.16Å; S90-T92 PolarHBondContact OG-OG1 2.99Å; S90-D93 WeakPolarHBondContact O-CB 3.22Å; S90-D93 PolarHBondContact O-N 3.06Å; S90-D93 PolarHBondContact OG-OD1 3.32Å
91D70.5Confident86.2Confident167 Ų16743.5 Ų43.589%0.89323%0.232SC*.THydrogen-bonded Turntrans-66.9-10.7175.1-63.9-42000112.9
92T77.7Confident85.9Confident96 Ų9642.1 Ų42.159%0.58923%0.23SC*.THydrogen-bonded Turntrans-82.5-13.2175.653.20000113.9S90 E94S90-T92 WeakPolarHBondContact CB-OG1 3.43Å; S90-T92 PolarHBondContact O-N 2.89Å; S90-T92 VanDerWaalsContact O-N 3.16Å; S90-T92 PolarHBondContact OG-OG1 2.99Å; T92-E94 PolarHBondContact O-N 3.24Å
93D81.1Confident85Confident35 Ų3547.4 Ų47.419%0.18726%0.264CS..  trans-64.5119.6-176.1-8914.1000111.3R89 S90R89-D93 HydrophobicContact CB-CB 4.43Å; R89-D93 VanDerWaalsContact CB-OD2 3.22Å; R89-D93 WeakPolarHBondContact CB-OD2 3.33Å; R89-D93 WeakPolarHBondContact CD-OD2 3.23Å; R89-D93 WeakPolarHBondContact CG-OD2 3.37Å; R89-D93 IonicContact CZ-OD2 3.72Å; R89-D93 IonicContact NE-OD2 3.82Å; R89-D93 IonicContact NH1-OD2 2.68Å; R89-D93 PolarHBondContact NH1-OD2 2.9Å; S90-D93 WeakPolarHBondContact O-CB 3.22Å; S90-D93 PolarHBondContact O-N 3.06Å; S90-D93 PolarHBondContact OG-OD1 3.32Å
94E88.8Confident84.1Confident82 Ų8256.3 Ų56.338%0.38329%0.292SS..  trans-81.4126176.5-60.9-168.3169.600112T92 S127 N151 F152 D153 M154T92-E94 PolarHBondContact O-N 3.24Å; E94-S127 WeakPolarHBondContact CA-OG 3.14Å; E94-N151 VanDerWaalsContact OE2-O 3.12Å; E94-F152 HydrophobicContact CB-CD1 3.62Å; E94-F152 HydrophobicContact CB-CE1 4.09Å; E94-D153 PolarHBondContact O-N 3.31Å; E94-M154 PolarHBondContact O-N 3.04Å
95V91.1Very high83.6Confident2 Ų259.7 Ų59.71%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-113.5121.5-179.6-173.80000110.5N125 S127 E128 M154 L156V95-N125 WeakPolarHBondContact CB-O 3.26Å; V95-N125 WeakPolarHBondContact CG2-O 3.41Å; V95-S127 PolarHBondContact N-OG 2.79Å; V95-S127 PolarHBondContact O-N 2.86Å; V95-E128 PolarHBondContact O-N 3.01Å; V95-M154 WeakPolarHBondContact CA-O 3.24Å; V95-M154 HydrophobicContact CG1-CB 4.29Å; V95-M154 HydrophobicContact CG1-CG 4.33Å; V95-M154 HydrophobicContact CG2-CB 4.21Å; V95-L156 HydrophobicContact CG1-CD1 3.61Å; V95-L156 HydrophobicContact CG1-CG 3.85Å
96C92.3Very high83.4Confident0 Ų059.9 Ų59.90%031%0.311CS..EExtended strand (participates in β ladder)trans-100.2129.2175.6168.90000110.8E128 I130 F152 M154 F155 L156C96-E128 CarbonylContact C-O 3.47Å; C96-E128 WeakPolarHBondContact CA-O 3.25Å; C96-I130 VanDerWaalsContact SG-CD1 3.59Å; C96-F152 HydrophobicContact CB-CB 4.14Å; C96-F152 HydrophobicContact CB-CD1 3.66Å; C96-F152 HydrophobicContact CB-CD2 3.84Å; C96-F152 HydrophobicContact CB-CE1 4.04Å; C96-F152 HydrophobicContact CB-CE2 4.19Å; C96-F152 HydrophobicContact CB-CG 3.58Å; C96-F152 HydrophobicContact CB-CZ 4.3Å; C96-M154 PolarHBondContact N-O 2.98Å; C96-F155 HydrophobicContact CB-CD1 3.69Å; C96-F155 HydrophobicContact CB-CE1 3.84Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.4Å; C96-L156 PolarHBondContact O-N 3Å
97L93.1Very high83.1Confident3 Ų358.6 Ų58.62%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-106.9119.1175.2177.666.5000111.3T99 L118 V126 E128 I129 I130 L156 L185L97-T99 HydrophobicContact CD2-CG2 3.84Å; L97-T99 HydrophobicContact CG-CG2 3.86Å; L97-L118 HydrophobicContact CD2-CD1 4.01Å; L97-V126 HydrophobicContact CB-CG1 3.79Å; L97-E128 PolarHBondContact N-O 3.48Å; L97-I129 WeakPolarHBondContact O-CA 3.47Å; L97-I130 PolarHBondContact O-N 3.43Å; L97-L156 HydrophobicContact CB-CB 4.49Å; L97-L156 HydrophobicContact CD1-CB 3.61Å; L97-L185 HydrophobicContact CD2-CD2 4.15Å
98F93.9Very high83.3Confident1 Ų163 Ų630%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-84.8124169.1-61.2-60.4000111.1I130 L135 L148 F155 L156 S157 D158 I161 L165 L169 P180F98-I130 WeakPolarHBondContact CA-O 3.25Å; F98-I130 HydrophobicContact CD1-CB 3.91Å; F98-I130 HydrophobicContact CD1-CG2 4.22Å; F98-I130 HydrophobicContact CE1-CB 4Å; F98-I130 HydrophobicContact CE1-CD1 4.2Å; F98-I130 HydrophobicContact CE1-CG2 4.19Å; F98-L135 HydrophobicContact CD1-CD1 4.43Å; F98-L135 HydrophobicContact CD1-CD2 4.05Å; F98-L135 HydrophobicContact CE1-CD1 3.77Å; F98-L135 HydrophobicContact CE1-CD2 4.09Å; F98-L135 HydrophobicContact CZ-CD1 4.4Å; F98-L148 HydrophobicContact CE1-CD2 4.34Å; F98-L148 HydrophobicContact CZ-CD2 4.12Å; F98-F155 HydrophobicContact CE2-CB 4.01Å; F98-F155 AromaticContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CE1 4.45Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CE1 4.16Å; F98-L156 WeakPolarHBondContact CD2-O 2.92Å; F98-L156 PolarHBondContact N-O 3.37Å; F98-S157 CarbonylContact O-C 3.57Å; F98-S157 WeakPolarHBondContact O-CA 3.12Å; F98-D158 PolarHBondContact O-N 3.15Å; F98-I161 VanDerWaalsContact C-CD1 3.44Å; F98-I161 HydrophobicContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact O-CD1 3.25Å; F98-I161 WeakPolarHBondContact O-CD1 3.36Å; F98-L165 HydrophobicContact CB-CD2 4.21Å; F98-L165 HydrophobicContact CD2-CD2 4.15Å; F98-L165 HydrophobicContact CG-CD2 4.15Å; F98-L169 HydrophobicContact CE1-CD2 4.48Å; F98-L169 HydrophobicContact CE2-CD1 4.11Å; F98-L169 HydrophobicContact CE2-CD2 4.14Å; F98-L169 HydrophobicContact CZ-CD2 3.79Å; F98-P180 HydrophobicContact CD2-CB 4.16Å; F98-P180 HydrophobicContact CD2-CG 3.97Å; F98-P180 HydrophobicContact CE2-CB 4.4Å; F98-P180 HydrophobicContact CE2-CG 3.82Å
99T92.1Very high83.5Confident0 Ų067.7 Ų67.70%034%0.344CS..EExtended strand (participates in β ladder)trans-115.4158.4-178.156.20000112.3L97 Y114 I129 I130 L132 L185L97-T99 HydrophobicContact CD2-CG2 3.84Å; L97-T99 HydrophobicContact CG-CG2 3.86Å; T99-Y114 HydrophobicContact CG2-CD1 4.21Å; T99-Y114 HydrophobicContact CG2-CD2 3.71Å; T99-Y114 HydrophobicContact CG2-CE1 4.44Å; T99-Y114 HydrophobicContact CG2-CE2 3.98Å; T99-Y114 HydrophobicContact CG2-CG 3.85Å; T99-I129 HydrophobicContact CG2-CG2 3.59Å; T99-I130 PolarHBondContact N-O 2.88Å; T99-I130 VanDerWaalsContact N-O 3.12Å; T99-L132 PolarHBondContact O-N 3.08Å; T99-L185 HydrophobicContact CG2-CD1 4.04Å
100K90.2Very high83.8Confident84 Ų8465.2 Ų65.237%0.36534%0.335SS..PPolyproline II helixtrans-78.5138.3169-168.6-167170.8-168.80109Y114 R160 I161K100-Y114 WeakPolarHBondContact O-CE2 3.49Å; K100-Y114 PolarHBondContact O-OH 3.47Å; K100-R160 HydrophobicContact CD-CB 4.4Å; K100-I161 HydrophobicContact CB-CG2 3.77Å; K100-I161 HydrophobicContact CG-CG2 4.09Å
101D85.6Confident84.5Confident23 Ų2365.7 Ų65.712%0.12333%0.332CS..PPolyproline II helixtrans-65.7133.9169.6-51-63.7000110.7P131 L132 N133D101-P131 WeakPolarHBondContact OD1-CB 3.34Å; D101-L132 PolarHBondContact OD1-N 3.28Å; D101-L132 WeakPolarHBondContact OD2-CB 3.47Å; D101-N133 WeakPolarHBondContact OD1-CB 3.46Å; D101-N133 PolarHBondContact OD1-N 2.85Å; D101-N133 VanDerWaalsContact OD1-N 3.1Å; D101-N133 PolarHBondContact OD1-ND2 2.99Å; D101-N133 PolarHBondContact OD2-N 3.4Å; D101-N133 PolarHBondContact OD2-ND2 3.38Å; D101-N133 PolarHBondContact OD2-OD1 2.85Å
102E83.8Confident85.3Confident76 Ų7666.4 Ų66.436%0.35532%0.322SS..PPolyproline II helixtrans-86.5125.5171.1-167.658.7-139.700108.8R104 M105E102-R104 PolarHBondContact O-N 2.9Å; E102-M105 PolarHBondContact O-N 2.88Å; E102-M105 VanDerWaalsContact O-N 3.08Å
103P71.3Confident85.9Confident112 Ų11266.3 Ų66.373%0.72731%0.314SS*.THydrogen-bonded Turntrans-58.4-10.4-170.319.1-35.1000116.8
104R70.4Confident86.2Confident239 Ų23964.8 Ų64.890%0.90231%0.305SS*.THydrogen-bonded Turntrans-111.43.9-179.8-65.2-175.6179.6164.8-0.2114.2E102E102-R104 PolarHBondContact O-N 2.9Å
105M81.1Confident86.2Confident80 Ų8066.8 Ų66.839%0.39431%0.313SS..SBendtrans-125147.7-173.1-67.2-174.1-177.500112.3E102 Q109 F113E102-M105 PolarHBondContact O-N 2.88Å; E102-M105 VanDerWaalsContact O-N 3.08Å; M105-Q109 HydrophobicContact CB-CB 4.01Å; M105-Q109 HydrophobicContact CG-CB 4.46Å; M105-F113 HydrophobicContact SD-CB 4.33Å
106S85.1Confident86.1Confident68 Ų6872.9 Ų72.948%0.47634%0.339SS..  trans-66.3163.3167.1-177.40000111E108 Q109 T110S106-E108 VanDerWaalsContact C-N 3.32Å; S106-E108 PolarHBondContact O-N 3.31Å; S106-Q109 PolarHBondContact O-N 2.81Å; S106-T110 WeakPolarHBondContact O-CB 3.31Å; S106-T110 PolarHBondContact O-N 3.44Å; S106-T110 PolarHBondContact O-OG1 3.15Å
107A81.7Confident85.9Confident24 Ų2474 Ų7420%0.19835%0.345CS..Hα-helixtrans-56.4-45.7177.400000111.8Q109 T110 Q111 P131 T134A107-Q109 PolarHBondContact O-N 2.75Å; A107-T110 WeakPolarHBondContact O-CB 3.27Å; A107-T110 PolarHBondContact O-N 3.2Å; A107-Q111 WeakPolarHBondContact O-CG 3.21Å; A107-Q111 PolarHBondContact O-N 2.9Å; A107-P131 HydrophobicContact CB-CG 3.86Å; A107-T134 WeakPolarHBondContact CB-OG1 3.34Å
108E84.8Confident85.6Confident121 Ų12174.3 Ų74.357%0.56535%0.346SS*.Hα-helixtrans-65.5-38.3178.3-62.3-179.2-175.100112.7S106 T110 Q111 R112S106-E108 VanDerWaalsContact C-N 3.32Å; S106-E108 PolarHBondContact O-N 3.31Å; E108-T110 VanDerWaalsContact C-N 3.33Å; E108-Q111 WeakPolarHBondContact O-CB 3.48Å; E108-Q111 PolarHBondContact O-N 2.77Å; E108-R112 WeakPolarHBondContact O-CG 3.31Å; E108-R112 PolarHBondContact O-N 2.88Å
109Q85.9Confident85.3Confident107 Ų10780.1 Ų80.150%0.537%0.374SS..Hα-helixtrans-67.1-39.6176.8-70173.9-19.900110.8M105 S106 A107 Q111 R112 F113M105-Q109 HydrophobicContact CB-CB 4.01Å; M105-Q109 HydrophobicContact CG-CB 4.46Å; S106-Q109 PolarHBondContact O-N 2.81Å; A107-Q109 PolarHBondContact O-N 2.75Å; Q109-Q111 VanDerWaalsContact C-N 3.34Å; Q109-Q111 PolarHBondContact O-N 3.19Å; Q109-R112 PolarHBondContact O-N 2.84Å; Q109-F113 WeakPolarHBondContact O-CB 3.34Å; Q109-F113 PolarHBondContact O-N 3.04Å
110T86.1Confident85.1Confident1 Ų186.2 Ų86.21%0.00640%0.402CS..Hα-helixtrans-61.6-43.5175.1-58.20000110.7S106 A107 E108 F113 Y114 P131S106-T110 WeakPolarHBondContact O-CB 3.31Å; S106-T110 PolarHBondContact O-N 3.44Å; S106-T110 PolarHBondContact O-OG1 3.15Å; A107-T110 WeakPolarHBondContact O-CB 3.27Å; A107-T110 PolarHBondContact O-N 3.2Å; E108-T110 VanDerWaalsContact C-N 3.33Å; T110-F113 PolarHBondContact O-N 3.49Å; T110-Y114 HydrophobicContact CG2-CD2 3.66Å; T110-Y114 HydrophobicContact CG2-CE2 3.48Å; T110-Y114 VanDerWaalsContact CG2-CE2 3.48Å; T110-Y114 WeakPolarHBondContact O-CD2 3.43Å; T110-Y114 PolarHBondContact O-N 3.28Å; T110-P131 HydrophobicContact CG2-CB 4.28Å
111Q87.7Confident84.8Confident59 Ų5985.7 Ų85.728%0.27640%0.398SS..Hα-helixtrans-58.8-48.9174.4-71.3174.1-19.900111.9A107 E108 Q109 F113 Y114 K115 I129 P131A107-Q111 WeakPolarHBondContact O-CG 3.21Å; A107-Q111 PolarHBondContact O-N 2.9Å; E108-Q111 WeakPolarHBondContact O-CB 3.48Å; E108-Q111 PolarHBondContact O-N 2.77Å; Q109-Q111 VanDerWaalsContact C-N 3.34Å; Q109-Q111 PolarHBondContact O-N 3.19Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 2.91Å; Q111-Y114 PolarHBondContact O-N 3.3Å; Q111-K115 WeakPolarHBondContact O-CB 3.18Å; Q111-K115 PolarHBondContact O-N 3.18Å; Q111-I129 WeakPolarHBondContact CG-O 3.31Å; Q111-I129 PolarHBondContact NE2-O 3.19Å; Q111-P131 HydrophobicContact CG-CG 4.1Å
112R87.9Confident84.5Confident181 Ų18187.1 Ų87.168%0.68342%0.418SS*.Hα-helixtrans-61.4-41178.3-68.8176.4-170.2-167.34.7112.1E108 Q109 K115 K116E108-R112 WeakPolarHBondContact O-CG 3.31Å; E108-R112 PolarHBondContact O-N 2.88Å; Q109-R112 PolarHBondContact O-N 2.84Å; R112-K115 PolarHBondContact O-N 2.77Å; R112-K116 PolarHBondContact O-N 3.23Å
113F89.2Confident84.3Confident94 Ų9484.2 Ų84.241%0.41241%0.405SS..Hα-helixtrans-60.6-50.3176.8174.9-99.9000111.6M105 Q109 T110 Q111 K115 K116 L117M105-F113 HydrophobicContact SD-CB 4.33Å; Q109-F113 WeakPolarHBondContact O-CB 3.34Å; Q109-F113 PolarHBondContact O-N 3.04Å; T110-F113 PolarHBondContact O-N 3.49Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 2.91Å; F113-K115 VanDerWaalsContact C-N 3.34Å; F113-K115 PolarHBondContact O-N 3.23Å; F113-K116 PolarHBondContact O-N 3.46Å; F113-L117 WeakPolarHBondContact O-CB 3.2Å; F113-L117 PolarHBondContact O-N 3.29Å
114Y88.1Confident84.3Confident3 Ų389.8 Ų89.81%0.01241%0.412CS..Hα-helixtrans-69-32.7178.6-76.3-67.7000112.6T99 K100 T110 Q111 L117 L118 R160 L185T99-Y114 HydrophobicContact CG2-CD1 4.21Å; T99-Y114 HydrophobicContact CG2-CD2 3.71Å; T99-Y114 HydrophobicContact CG2-CE1 4.44Å; T99-Y114 HydrophobicContact CG2-CE2 3.98Å; T99-Y114 HydrophobicContact CG2-CG 3.85Å; K100-Y114 WeakPolarHBondContact O-CE2 3.49Å; K100-Y114 PolarHBondContact O-OH 3.47Å; T110-Y114 HydrophobicContact CG2-CD2 3.66Å; T110-Y114 HydrophobicContact CG2-CE2 3.48Å; T110-Y114 VanDerWaalsContact CG2-CE2 3.48Å; T110-Y114 WeakPolarHBondContact O-CD2 3.43Å; T110-Y114 PolarHBondContact O-N 3.28Å; Q111-Y114 PolarHBondContact O-N 3.3Å; Y114-L117 HydrophobicContact CD1-CD2 4.02Å; Y114-L117 HydrophobicContact CE1-CD2 4.34Å; Y114-L117 PolarHBondContact O-N 2.8Å; Y114-L118 WeakPolarHBondContact O-CB 3.39Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.76Å; Y114-R160 PolarHBondContact OH-NH2 3.28Å; Y114-L185 HydrophobicContact CD1-CD1 4.36Å; Y114-L185 HydrophobicContact CE1-CD1 3.95Å
115K89.4Confident84.7Confident125 Ų12582.3 Ų82.354%0.54339%0.39SS..Hα-helixtrans-60.4-48.1173.8-171.3174.3-179.9177.20110.9Q111 R112 F113 L117 L118 E119 I129Q111-K115 WeakPolarHBondContact O-CB 3.18Å; Q111-K115 PolarHBondContact O-N 3.18Å; R112-K115 PolarHBondContact O-N 2.77Å; F113-K115 VanDerWaalsContact C-N 3.34Å; F113-K115 PolarHBondContact O-N 3.23Å; K115-L117 PolarHBondContact O-N 2.95Å; K115-L118 PolarHBondContact O-N 3.21Å; K115-E119 WeakPolarHBondContact CE-OE1 3.38Å; K115-E119 WeakPolarHBondContact O-CG 3.49Å; K115-E119 PolarHBondContact O-N 2.84Å; K115-I129 HydrophobicContact CB-CD1 4Å
116K89.6Confident84.8Confident129 Ų12979.9 Ų79.956%0.56138%0.379SS*.Hα-helixtrans-61-43.3174.8-166.5-175.8-178.5-168.20112.1R112 F113 L118 E119 E120R112-K116 PolarHBondContact O-N 3.23Å; F113-K116 PolarHBondContact O-N 3.46Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.43Å; K116-E119 PolarHBondContact O-N 3.48Å; K116-E120 WeakPolarHBondContact CE-OE1 3.43Å; K116-E120 IonicContact NZ-OE1 3.85Å; K116-E120 WeakPolarHBondContact O-CB 3.38Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.05Å
117L86.9Confident84.9Confident25 Ų2580 Ų8013%0.13138%0.381CS..Hα-helixtrans-61.8-37.1177.8-172.671.5000112.5F113 Y114 K115 R121F113-L117 WeakPolarHBondContact O-CB 3.2Å; F113-L117 PolarHBondContact O-N 3.29Å; Y114-L117 HydrophobicContact CD1-CD2 4.02Å; Y114-L117 HydrophobicContact CE1-CD2 4.34Å; Y114-L117 PolarHBondContact O-N 2.8Å; K115-L117 PolarHBondContact O-N 2.95Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 WeakPolarHBondContact O-CD 3.39Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.45Å; L117-R121 PolarHBondContact O-N 3.19Å
118L87.3Confident85.3Confident8 Ų882.2 Ų82.24%0.04239%0.387CS..Hα-helixtrans-70.6-40.5177.2-71.8170.8000111.3L97 Y114 K115 K116 R121 G122 V123 V126 I129 L190L97-L118 HydrophobicContact CD2-CD1 4.01Å; Y114-L118 WeakPolarHBondContact O-CB 3.39Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.76Å; K115-L118 PolarHBondContact O-N 3.21Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.43Å; L118-R121 CarbonylContact O-C 3.45Å; L118-R121 PolarHBondContact O-N 3.47Å; L118-G122 PolarHBondContact O-N 2.97Å; L118-V123 HydrophobicContact CB-CB 4.18Å; L118-V123 HydrophobicContact CD2-CB 3.86Å; L118-V123 HydrophobicContact CD2-CG1 4.01Å; L118-V123 HydrophobicContact CD2-CG2 4.02Å; L118-V123 PolarHBondContact O-N 2.79Å; L118-V126 HydrophobicContact CD1-CB 4.17Å; L118-V126 HydrophobicContact CD1-CG1 4.17Å; L118-V126 HydrophobicContact CD1-CG2 4.26Å; L118-I129 HydrophobicContact CD1-CD1 3.68Å; L118-I129 HydrophobicContact CD1-CG1 4.29Å; L118-L190 HydrophobicContact CD2-CD2 3.82Å
119E87.6Confident85.7Confident123 Ų12377.3 Ų77.358%0.57536%0.364SS*.Hα-helixtrans-62.3-48174.8-72.2168.8-168.300111.4K115 K116 R121 G122K115-E119 WeakPolarHBondContact CE-OE1 3.38Å; K115-E119 WeakPolarHBondContact O-CG 3.49Å; K115-E119 PolarHBondContact O-N 2.84Å; K116-E119 PolarHBondContact O-N 3.48Å; E119-R121 PolarHBondContact O-N 3.06Å; E119-G122 PolarHBondContact O-N 2.87Å
120E87.9Confident86Confident129 Ų12972.2 Ų72.260%0.60334%0.34SS*.Hα-helixtrans-58.6-33.8176.3-74.3172.7-174.200112.4K116K116-E120 WeakPolarHBondContact CE-OE1 3.43Å; K116-E120 IonicContact NZ-OE1 3.85Å; K116-E120 WeakPolarHBondContact O-CB 3.38Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.05Å
121R84.1Confident86.3Confident73 Ų7372.2 Ų72.228%0.27534%0.34SS..THydrogen-bonded Turntrans-92.74-179.9-65.5173.7-178.9-109.918.7113.5L117 L118 E119 S187 N188L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 WeakPolarHBondContact O-CD 3.39Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.45Å; L117-R121 PolarHBondContact O-N 3.19Å; L118-R121 CarbonylContact O-C 3.45Å; L118-R121 PolarHBondContact O-N 3.47Å; E119-R121 PolarHBondContact O-N 3.06Å; R121-S187 PolarHBondContact NH1-O 3.46Å; R121-N188 PolarHBondContact NH1-O 3.12Å
122G78.9Confident86.5Confident53 Ų5369.9 Ų69.955%0.54633%0.33SS..THydrogen-bonded Turntrans74.622.6174.500000115.6L118 E119L118-G122 PolarHBondContact O-N 2.97Å; E119-G122 PolarHBondContact O-N 2.87Å
123V80Confident86.6Confident14 Ų1464.6 Ų64.69%0.08532%0.315CS..  trans-88.8111.9176.8179.40000109.6L118 V126 L190 V194L118-V123 HydrophobicContact CB-CB 4.18Å; L118-V123 HydrophobicContact CD2-CB 3.86Å; L118-V123 HydrophobicContact CD2-CG1 4.01Å; L118-V123 HydrophobicContact CD2-CG2 4.02Å; L118-V123 PolarHBondContact O-N 2.79Å; V123-V126 HydrophobicContact CG1-CG2 3.76Å; V123-L190 HydrophobicContact CG2-CG 4.37Å; V123-V194 HydrophobicContact CG1-CB 4.27Å; V123-V194 HydrophobicContact CG1-CG1 3.74Å; V123-V194 HydrophobicContact CG1-CG2 4.43Å; V123-V194 HydrophobicContact CG2-CB 4.23Å; V123-V194 HydrophobicContact CG2-CG2 4.16Å
124R70.7Confident86.7Confident230 Ų23060.8 Ų60.887%0.86830%0.3SS*.  trans-100.7-19.4-179.9-63-179.3-178.3169.8-0.2114.2V126R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.89Å
125N78.2Confident86.9Confident81 Ų8161 Ų6143%0.43330%0.3SS..  trans-89.827.8-168.5-53.382.5000114.1V95 V198V95-N125 WeakPolarHBondContact CB-O 3.26Å; V95-N125 WeakPolarHBondContact CG2-O 3.41Å; N125-V198 HydrophobicContact CB-CG2 4.46Å
126V84.3Confident86.9Confident29 Ų2958.9 Ų58.918%0.17629%0.292CS..  trans-115.6113.8178.1179.40000108.8L97 L118 V123 R124 I129L97-V126 HydrophobicContact CB-CG1 3.79Å; L118-V126 HydrophobicContact CD1-CB 4.17Å; L118-V126 HydrophobicContact CD1-CG1 4.17Å; L118-V126 HydrophobicContact CD1-CG2 4.26Å; V123-V126 HydrophobicContact CG1-CG2 3.76Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.89Å; V126-I129 HydrophobicContact CG1-CG1 4.08Å
127S87.4Confident87Confident72 Ų7260.9 Ų60.950%0.50330%0.3SS..  trans-79.8-49.1-175.9-47.70000111.6E94 V95E94-S127 WeakPolarHBondContact CA-OG 3.14Å; V95-S127 PolarHBondContact N-OG 2.79Å; V95-S127 PolarHBondContact O-N 2.86Å
128E89.9Confident87.2Confident70 Ų7065.2 Ų65.233%0.32732%0.32SS..EExtended strand (participates in β ladder)trans-134.4142.1-177.2-163.2176.813800112V95 C96 L97 I130 F152V95-E128 PolarHBondContact O-N 3.01Å; C96-E128 CarbonylContact C-O 3.47Å; C96-E128 WeakPolarHBondContact CA-O 3.25Å; L97-E128 PolarHBondContact N-O 3.48Å; E128-I130 HydrophobicContact CG-CG1 4.13Å; E128-I130 WeakPolarHBondContact OE1-CD1 3.45Å; E128-I130 WeakPolarHBondContact OE1-CG1 3.14Å; E128-F152 HydrophobicContact CB-CE1 3.76Å; E128-F152 HydrophobicContact CB-CZ 3.5Å; E128-F152 VanDerWaalsContact CB-CZ 3.5Å; E128-F152 HydrophobicContact CG-CZ 4.26Å; E128-F152 VanDerWaalsContact OE2-CZ 3.27Å; E128-F152 WeakPolarHBondContact OE2-CZ 3.34Å
129I92.1Very high87.4Confident18 Ų1866.8 Ų66.89%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-113.9116.6176.2-55.5172.8000108L97 T99 Q111 K115 L118 V126L97-I129 WeakPolarHBondContact O-CA 3.47Å; T99-I129 HydrophobicContact CG2-CG2 3.59Å; Q111-I129 WeakPolarHBondContact CG-O 3.31Å; Q111-I129 PolarHBondContact NE2-O 3.19Å; K115-I129 HydrophobicContact CB-CD1 4Å; L118-I129 HydrophobicContact CD1-CD1 3.68Å; L118-I129 HydrophobicContact CD1-CG1 4.29Å; V126-I129 HydrophobicContact CG1-CG1 4.08Å
130I92.6Very high87.5Confident0 Ų068.6 Ų68.60%033%0.332CS..EExtended strand (participates in β ladder)trans-112.2110.9-178.5-57.3-178.6000109.1C96 L97 F98 T99 E128 T134 L135 Y139 L148C96-I130 VanDerWaalsContact SG-CD1 3.59Å; L97-I130 PolarHBondContact O-N 3.43Å; F98-I130 WeakPolarHBondContact CA-O 3.25Å; F98-I130 HydrophobicContact CD1-CB 3.91Å; F98-I130 HydrophobicContact CD1-CG2 4.22Å; F98-I130 HydrophobicContact CE1-CB 4Å; F98-I130 HydrophobicContact CE1-CD1 4.2Å; F98-I130 HydrophobicContact CE1-CG2 4.19Å; T99-I130 PolarHBondContact N-O 2.88Å; T99-I130 VanDerWaalsContact N-O 3.12Å; E128-I130 HydrophobicContact CG-CG1 4.13Å; E128-I130 WeakPolarHBondContact OE1-CD1 3.45Å; E128-I130 WeakPolarHBondContact OE1-CG1 3.14Å; I130-T134 HydrophobicContact CG2-CG2 4.33Å; I130-L135 HydrophobicContact CG2-CB 4.12Å; I130-L135 HydrophobicContact CG2-CD1 4.44Å; I130-Y139 HydrophobicContact CD1-CE2 4.15Å; I130-Y139 HydrophobicContact CG2-CE2 4.25Å; I130-L148 HydrophobicContact CD1-CD1 3.52Å; I130-L148 HydrophobicContact CD1-CD2 4.46Å
131P92.8Very high87.8Confident0 Ų066 Ų660%033%0.326CS..EExtended strand (participates in β ladder)trans-73.8155175.131.9-33.6000110.6D101 A107 T110 Q111 N133 T134 L135D101-P131 WeakPolarHBondContact OD1-CB 3.34Å; A107-P131 HydrophobicContact CB-CG 3.86Å; T110-P131 HydrophobicContact CG2-CB 4.28Å; Q111-P131 HydrophobicContact CG-CG 4.1Å; P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 PolarHBondContact O-N 3.49Å; P131-T134 WeakPolarHBondContact CG-OG1 3.4Å; P131-T134 PolarHBondContact O-N 3.18Å; P131-L135 PolarHBondContact O-N 2.81Å
132L91.3Very high88.1Confident10 Ų1068.4 Ų68.45%0.05234%0.336CS..Hα-helixtrans-64.5-31.5-172178.967.3000112.7T99 D101 L135 K136 I161 L164T99-L132 PolarHBondContact O-N 3.08Å; D101-L132 PolarHBondContact OD1-N 3.28Å; D101-L132 WeakPolarHBondContact OD2-CB 3.47Å; L132-L135 HydrophobicContact CD1-CD2 4.3Å; L132-L135 PolarHBondContact O-N 3.5Å; L132-K136 HydrophobicContact CG-CD 4.4Å; L132-K136 VanDerWaalsContact O-CG 3.31Å; L132-K136 WeakPolarHBondContact O-CG 3.48Å; L132-K136 PolarHBondContact O-N 3.35Å; L132-I161 HydrophobicContact CD2-CG2 4.23Å; L132-L164 HydrophobicContact CD2-CD1 3.82Å
133N90.5Very high88.7Confident71 Ų7171.2 Ų71.238%0.3834%0.335SS..Hα-helixtrans-65.5-41.4175.1-77.8-27.6000112.7D101 P131 K136 K137D101-N133 WeakPolarHBondContact OD1-CB 3.46Å; D101-N133 PolarHBondContact OD1-N 2.85Å; D101-N133 VanDerWaalsContact OD1-N 3.1Å; D101-N133 PolarHBondContact OD1-ND2 2.99Å; D101-N133 PolarHBondContact OD2-N 3.4Å; D101-N133 PolarHBondContact OD2-ND2 3.38Å; D101-N133 PolarHBondContact OD2-OD1 2.85Å; P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 PolarHBondContact O-N 3.49Å; N133-K136 PolarHBondContact O-N 2.81Å; N133-K137 WeakPolarHBondContact O-CG 3.39Å; N133-K137 PolarHBondContact O-N 2.77Å; N133-K137 VanDerWaalsContact O-N 3.16Å
134T91.9Very high89.3Confident14 Ų1471.5 Ų71.59%0.08634%0.339CS..Hα-helixtrans-63.8-45.5174.1-62.20000110.5A107 I130 P131 K136 K137 E138 Y139A107-T134 WeakPolarHBondContact CB-OG1 3.34Å; I130-T134 HydrophobicContact CG2-CG2 4.33Å; P131-T134 WeakPolarHBondContact CG-OG1 3.4Å; P131-T134 PolarHBondContact O-N 3.18Å; T134-K136 PolarHBondContact O-N 3.29Å; T134-K137 PolarHBondContact O-N 3.16Å; T134-K137 VanDerWaalsContact O-N 3.15Å; T134-E138 HydrophobicContact CG2-CB 4.47Å; T134-E138 HydrophobicContact CG2-CG 4.36Å; T134-E138 VanDerWaalsContact CG2-OE2 3.23Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.39Å; T134-E138 PolarHBondContact O-N 3.06Å; T134-Y139 HydrophobicContact CG2-CE2 4.27Å
135L91.8Very high90.3Very high6 Ų662.2 Ų62.23%0.03130%0.304CS..Hα-helixtrans-57-36.6176.5-170.867.1000112.8F98 I130 P131 L132 Y139 L148 L165 H168 L169F98-L135 HydrophobicContact CD1-CD1 4.43Å; F98-L135 HydrophobicContact CD1-CD2 4.05Å; F98-L135 HydrophobicContact CE1-CD1 3.77Å; F98-L135 HydrophobicContact CE1-CD2 4.09Å; F98-L135 HydrophobicContact CZ-CD1 4.4Å; I130-L135 HydrophobicContact CG2-CB 4.12Å; I130-L135 HydrophobicContact CG2-CD1 4.44Å; P131-L135 PolarHBondContact O-N 2.81Å; L132-L135 HydrophobicContact CD1-CD2 4.3Å; L132-L135 PolarHBondContact O-N 3.5Å; L135-Y139 HydrophobicContact CD1-CD2 4.19Å; L135-Y139 HydrophobicContact CD1-CG 4.23Å; L135-L148 HydrophobicContact CD1-CD2 4.15Å; L135-L165 HydrophobicContact CD2-CD2 4.05Å; L135-H168 HydrophobicContact CD2-CB 4.26Å; L135-L169 HydrophobicContact CD1-CD2 4.04Å; L135-L169 HydrophobicContact CD2-CD2 4.23Å
136K90.2Very high90.9Very high82 Ų8265.3 Ų65.336%0.35731%0.31SS..Hα-helixtrans-74.7-34.4179.1-75.8170.8179172.60113.7L132 N133 T134 H168L132-K136 HydrophobicContact CG-CD 4.4Å; L132-K136 VanDerWaalsContact O-CG 3.31Å; L132-K136 WeakPolarHBondContact O-CG 3.48Å; L132-K136 PolarHBondContact O-N 3.35Å; N133-K136 PolarHBondContact O-N 2.81Å; T134-K136 PolarHBondContact O-N 3.29Å; K136-H168 WeakPolarHBondContact CE-NE2 3.34Å
137K91Very high91.3Very high170 Ų17071 Ų7174%0.73933%0.328SS*.Hα-helixtrans-88.5-56.9-175-69.6-179.4179.9-176.90111.5N133 T134N133-K137 WeakPolarHBondContact O-CG 3.39Å; N133-K137 PolarHBondContact O-N 2.77Å; N133-K137 VanDerWaalsContact O-N 3.16Å; T134-K137 PolarHBondContact O-N 3.16Å; T134-K137 VanDerWaalsContact O-N 3.15Å
138E91.1Very high91.5Very high117 Ų11767.7 Ų67.755%0.54731%0.305SS..THydrogen-bonded Turntrans-82.5-37.8-170-70.1171.1-157.100112.7T134 P141T134-E138 HydrophobicContact CG2-CB 4.47Å; T134-E138 HydrophobicContact CG2-CG 4.36Å; T134-E138 VanDerWaalsContact CG2-OE2 3.23Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.39Å; T134-E138 PolarHBondContact O-N 3.06Å; E138-P141 VanDerWaalsContact O-CD 3.25Å; E138-P141 WeakPolarHBondContact O-CD 3.43Å
139Y90.7Very high91.6Very high40 Ų4065.5 Ų65.516%0.15730%0.295CS..THydrogen-bonded Turntrans-98.320-176.3-60.3-87.7000113.2I130 T134 L135 A144 K145 L148I130-Y139 HydrophobicContact CD1-CE2 4.15Å; I130-Y139 HydrophobicContact CG2-CE2 4.25Å; T134-Y139 HydrophobicContact CG2-CE2 4.27Å; L135-Y139 HydrophobicContact CD1-CD2 4.19Å; L135-Y139 HydrophobicContact CD1-CG 4.23Å; Y139-A144 HydrophobicContact CD1-CB 4.05Å; Y139-K145 WeakPolarHBondContact O-CE 3.37Å; Y139-K145 WeakPolarHBondContact O-CG 3.25Å; Y139-L148 HydrophobicContact CD1-CB 3.93Å; Y139-L148 HydrophobicContact CD1-CD1 4.43Å; Y139-L148 HydrophobicContact CD1-CD2 3.92Å; Y139-L148 HydrophobicContact CD1-CG 4.32Å; Y139-L148 HydrophobicContact CE1-CB 3.87Å; Y139-L148 HydrophobicContact CE1-CD1 3.83Å; Y139-L148 HydrophobicContact CE1-CD2 4.14Å; Y139-L148 HydrophobicContact CE1-CG 4.17Å; Y139-L148 HydrophobicContact CG-CD2 4.29Å
140K90.6Very high91.4Very high162 Ų16267.5 Ų67.570%0.70432%0.32SS*.  trans-64.1-45.9169.5-171.2178178.2-174.70113.5K145K140-K145 VanDerWaalsContact O-CE 3.28Å; K140-K145 WeakPolarHBondContact O-CE 3.18Å
141P93Very high91.3Very high74 Ų7472.1 Ų72.148%0.48135%0.345SS..SBendtrans-67.2150.1-176.626.5-30.4000111.2E138 E143 A144 K145E138-P141 VanDerWaalsContact O-CD 3.25Å; E138-P141 WeakPolarHBondContact O-CD 3.43Å; P141-E143 VanDerWaalsContact C-N 3.29Å; P141-E143 PolarHBondContact O-N 3.35Å; P141-A144 HydrophobicContact CG-CB 3.8Å; P141-A144 PolarHBondContact O-N 3.41Å; P141-K145 PolarHBondContact O-N 3.16Å
142Y90.7Very high91.3Very high123 Ų12372.3 Ų72.348%0.48235%0.346SS..Hα-helixtrans-58.3-42.1-175.4179.7-91.2000112.4K145 R146 H172Y142-K145 PolarHBondContact O-N 2.91Å; Y142-R146 VanDerWaalsContact CE1-CD 3.45Å; Y142-R146 HydrophobicContact CE1-CG 4.18Å; Y142-R146 PolarHBondContact O-N 3.47Å; Y142-R146 PolarHBondContact OH-NE 2.88Å; Y142-H172 AromaticContact CD2-NE2 3.55Å; Y142-H172 AromaticContact CE2-CD2 3.87Å; Y142-H172 AromaticContact CE2-CE1 3.13Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.31Å; Y142-H172 AromaticContact CE2-NE2 2.89Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.46Å; Y142-H172 AromaticContact CZ-CE1 3.39Å; Y142-H172 AromaticContact CZ-NE2 3.62Å; Y142-H172 PolarHBondContact OH-CE1 3.13Å
143E92.6Very high91.1Very high113 Ų11375 Ų7553%0.52836%0.36SS..Hα-helixtrans-64.5-44.6-178.9-166-176.1178.600112.2P141 K145 R146 R147P141-E143 VanDerWaalsContact C-N 3.29Å; P141-E143 PolarHBondContact O-N 3.35Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.95Å; E143-R146 WeakPolarHBondContact O-CB 3.33Å; E143-R146 PolarHBondContact O-N 3.32Å; E143-R147 VanDerWaalsContact CD-NH2 3.32Å; E143-R147 WeakPolarHBondContact O-CG 2.9Å; E143-R147 PolarHBondContact O-N 3.28Å; E143-R147 IonicContact OE1-CZ 3.69Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.37Å; E143-R147 PolarHBondContact OE1-NE 2.85Å; E143-R147 IonicContact OE1-NH2 3.66Å; E143-R147 PolarHBondContact OE1-NH2 2.77Å; E143-R147 IonicContact OE2-NH2 2.73Å
144A92.8Very high91.1Very high20 Ų2071.9 Ų71.917%0.16534%0.343CS..Hα-helixtrans-60.1-37.317800000112.2Y139 P141 R146 R147 L148Y139-A144 HydrophobicContact CD1-CB 4.05Å; P141-A144 HydrophobicContact CG-CB 3.8Å; P141-A144 PolarHBondContact O-N 3.41Å; A144-R146 VanDerWaalsContact C-N 3.34Å; A144-R146 PolarHBondContact O-N 3.31Å; A144-R147 PolarHBondContact O-N 3.19Å; A144-L148 WeakPolarHBondContact O-CB 3.15Å; A144-L148 PolarHBondContact O-N 2.95Å
145K91.1Very high91.1Very high34 Ų3471.4 Ų71.415%0.14834%0.34CS..Hα-helixtrans-65.6-37.2175.5-63.3-179.6-170.1-174.60112.4Y139 K140 P141 Y142 E143 L149 H168 F173Y139-K145 WeakPolarHBondContact O-CE 3.37Å; Y139-K145 WeakPolarHBondContact O-CG 3.25Å; K140-K145 VanDerWaalsContact O-CE 3.28Å; K140-K145 WeakPolarHBondContact O-CE 3.18Å; P141-K145 PolarHBondContact O-N 3.16Å; Y142-K145 PolarHBondContact O-N 2.91Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.95Å; K145-L149 WeakPolarHBondContact O-CB 3.11Å; K145-L149 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-N 3.13Å; K145-H168 WeakPolarHBondContact CE-O 3.09Å; K145-H168 PolarHBondContact NZ-O 2.91Å; K145-F173 HydrophobicContact CB-CE2 4.37Å
146R91.5Very high91.1Very high146 Ų14671.1 Ų71.155%0.55134%0.339SS*.Hα-helixtrans-68.9-42.7175.5-80.1-174.2147.3-173-9.3111.4Y142 E143 A144 L149 G150Y142-R146 VanDerWaalsContact CE1-CD 3.45Å; Y142-R146 HydrophobicContact CE1-CG 4.18Å; Y142-R146 PolarHBondContact O-N 3.47Å; Y142-R146 PolarHBondContact OH-NE 2.88Å; E143-R146 WeakPolarHBondContact O-CB 3.33Å; E143-R146 PolarHBondContact O-N 3.32Å; A144-R146 VanDerWaalsContact C-N 3.34Å; A144-R146 PolarHBondContact O-N 3.31Å; R146-L149 WeakPolarHBondContact O-CB 3.28Å; R146-L149 PolarHBondContact O-N 3.41Å; R146-G150 PolarHBondContact O-N 3.49Å
147R92.4Very high91.3Very high149 Ų14967.3 Ų67.356%0.56232%0.322SS*.Hα-helixtrans-59.7-47.2174.3-67.8179.6-174.6-178.2-1.8111E143 A144 L149 G150 N151E143-R147 VanDerWaalsContact CD-NH2 3.32Å; E143-R147 WeakPolarHBondContact O-CG 2.9Å; E143-R147 PolarHBondContact O-N 3.28Å; E143-R147 IonicContact OE1-CZ 3.69Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.37Å; E143-R147 PolarHBondContact OE1-NE 2.85Å; E143-R147 IonicContact OE1-NH2 3.66Å; E143-R147 PolarHBondContact OE1-NH2 2.77Å; E143-R147 IonicContact OE2-NH2 2.73Å; A144-R147 PolarHBondContact O-N 3.19Å; R147-L149 VanDerWaalsContact C-N 3.27Å; R147-L149 PolarHBondContact O-N 2.98Å; R147-G150 PolarHBondContact O-N 2.88Å; R147-N151 PolarHBondContact O-N 2.99Å; R147-N151 PolarHBondContact O-OD1 3.01Å
148L91.9Very high91.3Very high3 Ų359.2 Ų59.22%0.01629%0.287CS..Hα-helixtrans-56.9-40.4175.8-174.565.4000112.4F98 I130 L135 Y139 A144 G150 F152 F155 L169 F173F98-L148 HydrophobicContact CE1-CD2 4.34Å; F98-L148 HydrophobicContact CZ-CD2 4.12Å; I130-L148 HydrophobicContact CD1-CD1 3.52Å; I130-L148 HydrophobicContact CD1-CD2 4.46Å; L135-L148 HydrophobicContact CD1-CD2 4.15Å; Y139-L148 HydrophobicContact CD1-CB 3.93Å; Y139-L148 HydrophobicContact CD1-CD1 4.43Å; Y139-L148 HydrophobicContact CD1-CD2 3.92Å; Y139-L148 HydrophobicContact CD1-CG 4.32Å; Y139-L148 HydrophobicContact CE1-CB 3.87Å; Y139-L148 HydrophobicContact CE1-CD1 3.83Å; Y139-L148 HydrophobicContact CE1-CD2 4.14Å; Y139-L148 HydrophobicContact CE1-CG 4.17Å; Y139-L148 HydrophobicContact CG-CD2 4.29Å; A144-L148 WeakPolarHBondContact O-CB 3.15Å; A144-L148 PolarHBondContact O-N 2.95Å; L148-G150 VanDerWaalsContact C-N 3.34Å; L148-F152 HydrophobicContact CD1-CD2 3.54Å; L148-F152 HydrophobicContact CD1-CE2 3.51Å; L148-F152 HydrophobicContact CG-CD2 4.36Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.85Å; L148-F155 HydrophobicContact CD1-CE1 4.44Å; L148-F155 HydrophobicContact CG-CE1 4.09Å; L148-F155 HydrophobicContact CG-CZ 4.46Å; L148-F155 WeakPolarHBondContact O-CZ 3.23Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L148-F173 HydrophobicContact CB-CZ 4.34Å; L148-F173 HydrophobicContact CD2-CZ 3.82Å; L148-F173 HydrophobicContact CG-CZ 4.03Å
149L90.3Very high91.3Very high24 Ų2459 Ų5913%0.12629%0.286CS..Hα-helixtrans-69.6-31177.3-166.986.9000113.4K145 R146 R147 F155 F173 T176 K178K145-L149 WeakPolarHBondContact O-CB 3.11Å; K145-L149 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-N 3.13Å; R146-L149 WeakPolarHBondContact O-CB 3.28Å; R146-L149 PolarHBondContact O-N 3.41Å; R147-L149 VanDerWaalsContact C-N 3.27Å; R147-L149 PolarHBondContact O-N 2.98Å; L149-F155 HydrophobicContact CD1-CE2 4.29Å; L149-F173 HydrophobicContact CB-CZ 4.38Å; L149-F173 HydrophobicContact CD1-CD1 3.81Å; L149-F173 HydrophobicContact CD1-CD2 4.19Å; L149-F173 HydrophobicContact CD1-CE1 3.92Å; L149-F173 HydrophobicContact CD1-CE2 4.26Å; L149-F173 HydrophobicContact CD1-CG 3.95Å; L149-F173 HydrophobicContact CD1-CZ 4.11Å; L149-T176 HydrophobicContact CD2-CG2 3.72Å; L149-K178 HydrophobicContact CD1-CB 3.94Å; L149-K178 HydrophobicContact CD1-CD 3.98Å; L149-K178 HydrophobicContact CD1-CG 4.45Å; L149-K178 HydrophobicContact CG-CD 4.19Å; L149-K178 PolarHBondContact O-NZ 3.12Å; L149-K178 VanDerWaalsContact O-NZ 3.11Å
150G89.1Confident91.2Very high59 Ų5961.8 Ų61.861%0.60830%0.296SS*.Hα-helixtrans-74.6-41.3179.800000112.4R146 R147 L148R146-G150 PolarHBondContact O-N 3.49Å; R147-G150 PolarHBondContact O-N 2.88Å; L148-G150 VanDerWaalsContact C-N 3.34Å
151N90.9Very high91.2Very high98 Ų9854.2 Ų54.252%0.52426%0.264SS..Hα-helixtrans-70.8-44.1-178.2-63.310000111.8E94 R147E94-N151 VanDerWaalsContact OE2-O 3.12Å; R147-N151 PolarHBondContact O-N 2.99Å; R147-N151 PolarHBondContact O-OD1 3.01Å
152F91.4Very high91.1Very high4 Ų457 Ų572%0.01826%0.264CS..  trans-101.7142.5-172.7-61.7-73.6000114.1E94 C96 E128 L148 F155 K178E94-F152 HydrophobicContact CB-CD1 3.62Å; E94-F152 HydrophobicContact CB-CE1 4.09Å; C96-F152 HydrophobicContact CB-CB 4.14Å; C96-F152 HydrophobicContact CB-CD1 3.66Å; C96-F152 HydrophobicContact CB-CD2 3.84Å; C96-F152 HydrophobicContact CB-CE1 4.04Å; C96-F152 HydrophobicContact CB-CE2 4.19Å; C96-F152 HydrophobicContact CB-CG 3.58Å; C96-F152 HydrophobicContact CB-CZ 4.3Å; E128-F152 HydrophobicContact CB-CE1 3.76Å; E128-F152 HydrophobicContact CB-CZ 3.5Å; E128-F152 VanDerWaalsContact CB-CZ 3.5Å; E128-F152 HydrophobicContact CG-CZ 4.26Å; E128-F152 VanDerWaalsContact OE2-CZ 3.27Å; E128-F152 WeakPolarHBondContact OE2-CZ 3.34Å; L148-F152 HydrophobicContact CD1-CD2 3.54Å; L148-F152 HydrophobicContact CD1-CE2 3.51Å; L148-F152 HydrophobicContact CG-CD2 4.36Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.85Å; F152-F155 HydrophobicContact CB-CE1 3.71Å; F152-F155 HydrophobicContact CB-CE2 4.28Å; F152-F155 HydrophobicContact CB-CZ 3.56Å; F152-F155 HydrophobicContact CD2-CE1 4.09Å; F152-F155 HydrophobicContact CD2-CZ 4.44Å; F152-F155 HydrophobicContact CG-CE1 4.18Å; F152-F155 HydrophobicContact CG-CZ 4.42Å; F152-K178 PolarHBondContact O-NZ 2.82Å
153D88.5Confident91.1Very high67 Ų6762 Ų6236%0.35828%0.283SS..SBendtrans-94.8-29.5175.9-73.2-51.8000113.9E94 K178E94-D153 PolarHBondContact O-N 3.31Å; D153-K178 IonicContact OD1-NZ 3.77Å; D153-K178 PolarHBondContact OD1-NZ 2.73Å
154M89Confident91Very high5 Ų560.6 Ų60.63%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-132.7134.1-179.1-174.3156.2147.600111.7R89 E94 V95 C96 L156 I181 L197 V198R89-M154 VanDerWaalsContact CZ-SD 3.51Å; R89-M154 PolarHBondContact NE-SD 3.34Å; R89-M154 PolarHBondContact NH2-SD 3.37Å; E94-M154 PolarHBondContact O-N 3.04Å; V95-M154 WeakPolarHBondContact CA-O 3.24Å; V95-M154 HydrophobicContact CG1-CB 4.29Å; V95-M154 HydrophobicContact CG1-CG 4.33Å; V95-M154 HydrophobicContact CG2-CB 4.21Å; C96-M154 PolarHBondContact N-O 2.98Å; M154-L156 HydrophobicContact CE-CD1 4.33Å; M154-L156 HydrophobicContact CE-CD2 3.29Å; M154-L156 HydrophobicContact CE-CG 3.98Å; M154-I181 HydrophobicContact CE-CD1 4.17Å; M154-L197 HydrophobicContact CE-CB 4.15Å; M154-V198 HydrophobicContact CE-CG2 4.05Å
155F92.4Very high90.8Very high3 Ų359.8 Ų59.81%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-111.8125.7174.4-62.6-79.5000109.8C96 F98 L148 L149 F152 F173 K178 P180 I181C96-F155 HydrophobicContact CB-CD1 3.69Å; C96-F155 HydrophobicContact CB-CE1 3.84Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.4Å; F98-F155 HydrophobicContact CE2-CB 4.01Å; F98-F155 AromaticContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CE1 4.45Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CE1 4.16Å; L148-F155 HydrophobicContact CD1-CE1 4.44Å; L148-F155 HydrophobicContact CG-CE1 4.09Å; L148-F155 HydrophobicContact CG-CZ 4.46Å; L148-F155 WeakPolarHBondContact O-CZ 3.23Å; L149-F155 HydrophobicContact CD1-CE2 4.29Å; F152-F155 HydrophobicContact CB-CE1 3.71Å; F152-F155 HydrophobicContact CB-CE2 4.28Å; F152-F155 HydrophobicContact CB-CZ 3.56Å; F152-F155 HydrophobicContact CD2-CE1 4.09Å; F152-F155 HydrophobicContact CD2-CZ 4.44Å; F152-F155 HydrophobicContact CG-CE1 4.18Å; F152-F155 HydrophobicContact CG-CZ 4.42Å; F155-F173 HydrophobicContact CD1-CE1 4.03Å; F155-F173 HydrophobicContact CD2-CD1 4.12Å; F155-F173 AromaticContact CD2-CE1 3.82Å; F155-F173 HydrophobicContact CD2-CE1 3.82Å; F155-F173 AromaticContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CZ 4.26Å; F155-F173 HydrophobicContact CE2-CD1 4.05Å; F155-F173 AromaticContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CE1 3.48Å; F155-F173 VanDerWaalsContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.08Å; F155-F173 HydrophobicContact CZ-CD1 4.4Å; F155-F173 AromaticContact CZ-CE1 3.41Å; F155-F173 HydrophobicContact CZ-CE1 3.41Å; F155-F173 VanDerWaalsContact CZ-CE1 3.41Å; F155-F173 AromaticContact CZ-CZ 4Å; F155-F173 HydrophobicContact CZ-CZ 4Å; F155-K178 HydrophobicContact CD2-CB 4.17Å; F155-K178 WeakPolarHBondContact CD2-O 3.17Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.27Å; F155-P180 HydrophobicContact CB-CB 3.95Å; F155-P180 HydrophobicContact CB-CG 3.95Å; F155-P180 CarbonylContact O-C 3.57Å; F155-P180 VanDerWaalsContact O-CA 3.31Å; F155-P180 WeakPolarHBondContact O-CA 3.46Å; F155-I181 PolarHBondContact O-N 3.39Å
156L92.3Very high90.8Very high1 Ų161.1 Ų61.11%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-107.2152.6170.2-63.6179.3000108.8V95 C96 L97 F98 M154 I181 I183 V194 L197V95-L156 HydrophobicContact CG1-CD1 3.61Å; V95-L156 HydrophobicContact CG1-CG 3.85Å; C96-L156 PolarHBondContact O-N 3Å; L97-L156 HydrophobicContact CB-CB 4.49Å; L97-L156 HydrophobicContact CD1-CB 3.61Å; F98-L156 WeakPolarHBondContact CD2-O 2.92Å; F98-L156 PolarHBondContact N-O 3.37Å; M154-L156 HydrophobicContact CE-CD1 4.33Å; M154-L156 HydrophobicContact CE-CD2 3.29Å; M154-L156 HydrophobicContact CE-CG 3.98Å; L156-I181 CarbonylContact C-O 3.59Å; L156-I181 WeakPolarHBondContact CA-O 3.45Å; L156-I181 HydrophobicContact CD2-CB 4.04Å; L156-I183 HydrophobicContact CB-CD1 4.12Å; L156-I183 HydrophobicContact CD1-CD1 3.67Å; L156-I183 HydrophobicContact CD2-CD1 3.61Å; L156-I183 HydrophobicContact CD2-CG1 4.23Å; L156-I183 HydrophobicContact CG-CD1 3.99Å; L156-V194 HydrophobicContact CD1-CG1 4.26Å; L156-L197 HydrophobicContact CD2-CD2 3.99Å
157S93.1Very high90.7Very high1 Ų158.8 Ų58.81%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-143.2152.5174.557.80000112.1F98 L165 I181 S182 I183F98-S157 CarbonylContact O-C 3.57Å; F98-S157 WeakPolarHBondContact O-CA 3.12Å; S157-L165 WeakPolarHBondContact OG-CD1 3.49Å; S157-I181 PolarHBondContact N-O 3.05Å; S157-S182 CarbonylContact O-C 3.59Å; S157-S182 VanDerWaalsContact O-CA 3.24Å; S157-S182 WeakPolarHBondContact O-CA 3.22Å; S157-I183 PolarHBondContact O-N 3.11Å
158D91.7Very high90.6Very high1 Ų154 Ų541%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-64.7137.9164.9-168.3-25.6000110F98 R160 I161 R162 I183 L185F98-D158 PolarHBondContact O-N 3.15Å; D158-R160 PolarHBondContact O-N 2.98Å; D158-R160 PolarHBondContact OD1-N 2.95Å; D158-R160 IonicContact OD1-NE 3.47Å; D158-R160 PolarHBondContact OD1-NE 2.96Å; D158-R160 IonicContact OD2-CZ 3.16Å; D158-R160 IonicContact OD2-NE 2.81Å; D158-R160 PolarHBondContact OD2-NE 3.39Å; D158-R160 IonicContact OD2-NH2 2.68Å; D158-R160 PolarHBondContact OD2-NH2 2.9Å; D158-I161 HydrophobicContact CB-CD1 4.33Å; D158-I161 HydrophobicContact CB-CG1 4.05Å; D158-I161 WeakPolarHBondContact O-CG1 3.4Å; D158-I161 PolarHBondContact O-N 3.41Å; D158-R162 PolarHBondContact O-N 3.35Å; D158-I183 CarbonylContact C-O 3.51Å; D158-I183 WeakPolarHBondContact CA-O 3.45Å; D158-L185 HydrophobicContact CB-CD1 3.73Å; D158-L185 HydrophobicContact CB-CG 4.4Å
159E90.9Very high90.3Very high113 Ų11353.9 Ų53.953%0.52827%0.272SS..G310 helixtrans-51-36.5172.2-176.4166-159.800112.5I161 R162 I183E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 3.32Å; E159-R162 WeakPolarHBondContact O-CB 3.22Å; E159-R162 PolarHBondContact O-N 3.02Å; E159-I183 PolarHBondContact N-O 2.9Å
160R90Very high90.1Very high98 Ų9853.7 Ų53.737%0.3728%0.276SS..G310 helixtrans-63.6-34.8-178.7-62.8179.2-68174.22.8113.4K100 Y114 D158K100-R160 HydrophobicContact CD-CB 4.4Å; Y114-R160 PolarHBondContact OH-NH2 3.28Å; D158-R160 PolarHBondContact O-N 2.98Å; D158-R160 PolarHBondContact OD1-N 2.95Å; D158-R160 IonicContact OD1-NE 3.47Å; D158-R160 PolarHBondContact OD1-NE 2.96Å; D158-R160 IonicContact OD2-CZ 3.16Å; D158-R160 IonicContact OD2-NE 2.81Å; D158-R160 PolarHBondContact OD2-NE 3.39Å; D158-R160 IonicContact OD2-NH2 2.68Å; D158-R160 PolarHBondContact OD2-NH2 2.9Å
161I90.6Very high90.1Very high3 Ų358.6 Ų58.62%0.01528%0.281CS..G310 helixtrans-95.3-9.6-175.765.5174.3000113F98 K100 L132 D158 E159 R163 L164 L165F98-I161 VanDerWaalsContact C-CD1 3.44Å; F98-I161 HydrophobicContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact O-CD1 3.25Å; F98-I161 WeakPolarHBondContact O-CD1 3.36Å; K100-I161 HydrophobicContact CB-CG2 3.77Å; K100-I161 HydrophobicContact CG-CG2 4.09Å; L132-I161 HydrophobicContact CD2-CG2 4.23Å; D158-I161 HydrophobicContact CB-CD1 4.33Å; D158-I161 HydrophobicContact CB-CG1 4.05Å; D158-I161 WeakPolarHBondContact O-CG1 3.4Å; D158-I161 PolarHBondContact O-N 3.41Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 3.32Å; I161-R163 PolarHBondContact O-N 2.79Å; I161-L164 PolarHBondContact O-N 2.81Å; I161-L165 HydrophobicContact CD1-CD2 4.17Å; I161-L165 HydrophobicContact CG1-CD1 4.28Å; I161-L165 HydrophobicContact CG1-CG 4.38Å; I161-L165 PolarHBondContact O-N 3.11Å
162R89.5Confident89.8Confident132 Ų13256.1 Ų56.150%0.49827%0.266SS..THydrogen-bonded Turntrans-46.1-39.1-176.1179.2-173.7170.984.610.5113.7D158 E159 L164 P166 S182D158-R162 PolarHBondContact O-N 3.35Å; E159-R162 WeakPolarHBondContact O-CB 3.22Å; E159-R162 PolarHBondContact O-N 3.02Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.99Å; R162-P166 WeakPolarHBondContact O-CD 3.46Å; R162-S182 PolarHBondContact NH1-OG 3.5Å
163R90.5Very high89.6Confident229 Ų22956 Ų5686%0.86427%0.265SS*.THydrogen-bonded Turntrans-69.5-28.1-177.8-65.9176.868.6-179.60.7113.4I161I161-R163 PolarHBondContact O-N 2.79Å
164L90.1Very high89.5Confident83 Ų8356.6 Ų56.644%0.43526%0.263SS..THydrogen-bonded Turntrans-90.8-25.2-175.1-57.4175.8000112.5L132 I161 R162 P166 S167 H168L132-L164 HydrophobicContact CD2-CD1 3.82Å; I161-L164 PolarHBondContact O-N 2.81Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.99Å; L164-P166 VanDerWaalsContact C-CD 3.46Å; L164-S167 PolarHBondContact O-N 2.89Å; L164-H168 PolarHBondContact O-CD2 2.63Å; L164-H168 VanDerWaalsContact O-CD2 3.3Å; L164-H168 PolarHBondContact O-N 3.38Å
165L90.5Very high89.4Confident3 Ų360.7 Ų60.72%0.01629%0.288CS..Hα-helixtrans-56.3-40.9-176.7-67.1171.4000115.2F98 L135 S157 I161 S167 H168 L169 P180F98-L165 HydrophobicContact CB-CD2 4.21Å; F98-L165 HydrophobicContact CD2-CD2 4.15Å; F98-L165 HydrophobicContact CG-CD2 4.15Å; L135-L165 HydrophobicContact CD2-CD2 4.05Å; S157-L165 WeakPolarHBondContact OG-CD1 3.49Å; I161-L165 HydrophobicContact CD1-CD2 4.17Å; I161-L165 HydrophobicContact CG1-CD1 4.28Å; I161-L165 HydrophobicContact CG1-CG 4.38Å; I161-L165 PolarHBondContact O-N 3.11Å; L165-S167 PolarHBondContact O-N 3.26Å; L165-H168 PolarHBondContact O-N 3.23Å; L165-L169 HydrophobicContact CB-CD1 4.08Å; L165-L169 HydrophobicContact CD2-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.22Å; L165-L169 PolarHBondContact O-N 3.13Å; L165-P180 HydrophobicContact CD1-CB 3.98Å; L165-P180 HydrophobicContact CD1-CG 4.08Å
166P89.8Confident89Confident62 Ų6263.7 Ų63.740%0.40331%0.307SS..Hα-helixtrans-58.7-35.6178.5-21.230000113.5R162 L164 G170 Y174R162-P166 WeakPolarHBondContact O-CD 3.46Å; L164-P166 VanDerWaalsContact C-CD 3.46Å; P166-G170 PolarHBondContact O-N 3.31Å; P166-Y174 HydrophobicContact CB-CE2 4.23Å; P166-Y174 WeakPolarHBondContact CG-OH 2.92Å
167S90.1Very high88.6Confident96 Ų9670 Ų7067%0.67134%0.335SS*.Hα-helixtrans-69.6-39.2179.4-178.70000111.7L164 L165L164-S167 PolarHBondContact O-N 2.89Å; L165-S167 PolarHBondContact O-N 3.26Å
168H89.1Confident88.2Confident48 Ų4872.8 Ų72.822%0.22235%0.347CS..Hα-helixtrans-86.2-45.7-175.1-61.4-51.7000113.5L135 K136 K145 L164 L165 G170L135-H168 HydrophobicContact CD2-CB 4.26Å; K136-H168 WeakPolarHBondContact CE-NE2 3.34Å; K145-H168 WeakPolarHBondContact CE-O 3.09Å; K145-H168 PolarHBondContact NZ-O 2.91Å; L164-H168 PolarHBondContact O-CD2 2.63Å; L164-H168 VanDerWaalsContact O-CD2 3.3Å; L164-H168 PolarHBondContact O-N 3.38Å; L165-H168 PolarHBondContact O-N 3.23Å; H168-G170 VanDerWaalsContact C-N 3.26Å; H168-G170 PolarHBondContact O-N 2.84Å
169L87.5Confident88.1Confident2 Ų274.7 Ų74.71%0.0136%0.356CS..Hα-helixtrans-70.1-23.8-179.6-66.9173.6000113F98 L135 L148 L165 F173 P180F98-L169 HydrophobicContact CE1-CD2 4.48Å; F98-L169 HydrophobicContact CE2-CD1 4.11Å; F98-L169 HydrophobicContact CE2-CD2 4.14Å; F98-L169 HydrophobicContact CZ-CD2 3.79Å; L135-L169 HydrophobicContact CD1-CD2 4.04Å; L135-L169 HydrophobicContact CD2-CD2 4.23Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L165-L169 HydrophobicContact CB-CD1 4.08Å; L165-L169 HydrophobicContact CD2-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.22Å; L165-L169 PolarHBondContact O-N 3.13Å; L169-F173 HydrophobicContact CB-CB 4.17Å; L169-F173 HydrophobicContact CB-CD1 4.45Å; L169-F173 HydrophobicContact CB-CD2 3.76Å; L169-F173 HydrophobicContact CB-CE2 4.31Å; L169-F173 HydrophobicContact CB-CG 3.86Å; L169-F173 HydrophobicContact CD1-CD1 4.1Å; L169-F173 HydrophobicContact CD1-CE1 4.48Å; L169-F173 HydrophobicContact CD1-CG 4.28Å; L169-F173 HydrophobicContact CD2-CD1 4.16Å; L169-F173 HydrophobicContact CD2-CD2 4.1Å; L169-F173 HydrophobicContact CD2-CE1 3.87Å; L169-F173 HydrophobicContact CD2-CE2 3.84Å; L169-F173 HydrophobicContact CD2-CG 4.28Å; L169-F173 HydrophobicContact CD2-CZ 3.74Å; L169-F173 HydrophobicContact CG-CD1 4.48Å; L169-F173 HydrophobicContact CG-CD2 4.43Å; L169-F173 HydrophobicContact CG-CG 4.37Å; L169-F173 WeakPolarHBondContact O-CD2 3.21Å; L169-P180 HydrophobicContact CD1-CG 3.33Å
170G85.6Confident88Confident20 Ų2069.9 Ų69.921%0.20633%0.334CS..Hα-helixtrans67.8-171179.100000113.9P166 H168 H172 Y174P166-G170 PolarHBondContact O-N 3.31Å; H168-G170 VanDerWaalsContact C-N 3.26Å; H168-G170 PolarHBondContact O-N 2.84Å; G170-H172 PolarHBondContact O-N 2.88Å; G170-Y174 WeakPolarHBondContact O-CD2 3.42Å
171K87.6Confident88.1Confident161 Ų16166.3 Ų66.370%0.732%0.323SS*.Hα-helixtrans-67.8-31.1-170.5-175179.3175.1-1730113.8F173 Y174 T175K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 3.06Å; K171-Y174 PolarHBondContact O-N 3.15Å; K171-T175 WeakPolarHBondContact CG-OG1 3.16Å; K171-T175 PolarHBondContact O-N 3.22Å; K171-T175 PolarHBondContact O-OG1 3.44Å; K171-T175 VanDerWaalsContact O-OG1 3.11Å
172H86.6Confident88.1Confident47 Ų4767 Ų6722%0.21833%0.327CS..Hα-helixtrans-57.7-42.7-173.1-59.1-66.7000113.4Y142 G170 Y174 T175 T176Y142-H172 AromaticContact CD2-NE2 3.55Å; Y142-H172 AromaticContact CE2-CD2 3.87Å; Y142-H172 AromaticContact CE2-CE1 3.13Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.31Å; Y142-H172 AromaticContact CE2-NE2 2.89Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.46Å; Y142-H172 AromaticContact CZ-CE1 3.39Å; Y142-H172 AromaticContact CZ-NE2 3.62Å; Y142-H172 PolarHBondContact OH-CE1 3.13Å; G170-H172 PolarHBondContact O-N 2.88Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 3.48Å; H172-T175 PolarHBondContact O-N 3.5Å; H172-T176 WeakPolarHBondContact O-CG2 3.44Å; H172-T176 PolarHBondContact O-N 3.29Å; H172-T176 VanDerWaalsContact O-N 3.13Å; H172-T176 PolarHBondContact O-OG1 3.05Å
173F87.1Confident88.1Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-62.7-35.6177.6-81.3-101.8000112.7K145 L148 L149 F155 L169 K171 T176 K177 K178K145-F173 HydrophobicContact CB-CE2 4.37Å; L148-F173 HydrophobicContact CB-CZ 4.34Å; L148-F173 HydrophobicContact CD2-CZ 3.82Å; L148-F173 HydrophobicContact CG-CZ 4.03Å; L149-F173 HydrophobicContact CB-CZ 4.38Å; L149-F173 HydrophobicContact CD1-CD1 3.81Å; L149-F173 HydrophobicContact CD1-CD2 4.19Å; L149-F173 HydrophobicContact CD1-CE1 3.92Å; L149-F173 HydrophobicContact CD1-CE2 4.26Å; L149-F173 HydrophobicContact CD1-CG 3.95Å; L149-F173 HydrophobicContact CD1-CZ 4.11Å; F155-F173 HydrophobicContact CD1-CE1 4.03Å; F155-F173 HydrophobicContact CD2-CD1 4.12Å; F155-F173 AromaticContact CD2-CE1 3.82Å; F155-F173 HydrophobicContact CD2-CE1 3.82Å; F155-F173 AromaticContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CZ 4.26Å; F155-F173 HydrophobicContact CE2-CD1 4.05Å; F155-F173 AromaticContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CE1 3.48Å; F155-F173 VanDerWaalsContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.08Å; F155-F173 HydrophobicContact CZ-CD1 4.4Å; F155-F173 AromaticContact CZ-CE1 3.41Å; F155-F173 HydrophobicContact CZ-CE1 3.41Å; F155-F173 VanDerWaalsContact CZ-CE1 3.41Å; F155-F173 AromaticContact CZ-CZ 4Å; F155-F173 HydrophobicContact CZ-CZ 4Å; L169-F173 HydrophobicContact CB-CB 4.17Å; L169-F173 HydrophobicContact CB-CD1 4.45Å; L169-F173 HydrophobicContact CB-CD2 3.76Å; L169-F173 HydrophobicContact CB-CE2 4.31Å; L169-F173 HydrophobicContact CB-CG 3.86Å; L169-F173 HydrophobicContact CD1-CD1 4.1Å; L169-F173 HydrophobicContact CD1-CE1 4.48Å; L169-F173 HydrophobicContact CD1-CG 4.28Å; L169-F173 HydrophobicContact CD2-CD1 4.16Å; L169-F173 HydrophobicContact CD2-CD2 4.1Å; L169-F173 HydrophobicContact CD2-CE1 3.87Å; L169-F173 HydrophobicContact CD2-CE2 3.84Å; L169-F173 HydrophobicContact CD2-CG 4.28Å; L169-F173 HydrophobicContact CD2-CZ 3.74Å; L169-F173 HydrophobicContact CG-CD1 4.48Å; L169-F173 HydrophobicContact CG-CD2 4.43Å; L169-F173 HydrophobicContact CG-CG 4.37Å; L169-F173 WeakPolarHBondContact O-CD2 3.21Å; K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 3.06Å; F173-T176 PolarHBondContact O-OG1 3.26Å; F173-K177 PolarHBondContact O-N 3.29Å; F173-K178 CarbonylContact O-C 3.56Å; F173-K178 PolarHBondContact O-N 3.33Å; F173-K178 VanDerWaalsContact O-N 3.15Å
174Y85.5Confident88Confident81 Ų8153.4 Ų53.432%0.31828%0.282SS..Hα-helixtrans-85.1-34-177.7-66.7-88.6000112.3P166 G170 K171 H172 K177 M179P166-Y174 HydrophobicContact CB-CE2 4.23Å; P166-Y174 WeakPolarHBondContact CG-OH 2.92Å; G170-Y174 WeakPolarHBondContact O-CD2 3.42Å; K171-Y174 PolarHBondContact O-N 3.15Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 3.48Å; Y174-K177 PolarHBondContact O-N 3.36Å; Y174-M179 HydrophobicContact CD1-CB 3.82Å; Y174-M179 HydrophobicContact CD1-CE 4.05Å; Y174-M179 HydrophobicContact CD1-SD 4.24Å; Y174-M179 HydrophobicContact CE1-CB 3.64Å; Y174-M179 HydrophobicContact CE1-CG 4.46Å; Y174-M179 HydrophobicContact CE1-SD 4.17Å
175T86.4Confident87.7Confident90 Ų9049.5 Ų49.555%0.55226%0.262SS*.Hα-helixtrans-62.8-44.2173.6-57.90000111.2K171 H172 K177K171-T175 WeakPolarHBondContact CG-OG1 3.16Å; K171-T175 PolarHBondContact O-N 3.22Å; K171-T175 PolarHBondContact O-OG1 3.44Å; K171-T175 VanDerWaalsContact O-OG1 3.11Å; H172-T175 PolarHBondContact O-N 3.5Å; T175-K177 PolarHBondContact O-N 3.36Å
176T84.6Confident87.4Confident67 Ų6754.6 Ų54.641%0.41129%0.285SS..THydrogen-bonded Turntrans-80.62179.857.50000113.7L149 H172 F173 K178L149-T176 HydrophobicContact CD2-CG2 3.72Å; H172-T176 WeakPolarHBondContact O-CG2 3.44Å; H172-T176 PolarHBondContact O-N 3.29Å; H172-T176 VanDerWaalsContact O-N 3.13Å; H172-T176 PolarHBondContact O-OG1 3.05Å; F173-T176 PolarHBondContact O-OG1 3.26Å; T176-K178 PolarHBondContact O-N 3.34Å
177K83.4Confident87Confident133 Ų13352.9 Ų52.958%0.57828%0.275SS*.THydrogen-bonded Turntrans61.19.2-179.4-53.6174.5-176.8171.60114.6F173 Y174 T175 M179F173-K177 PolarHBondContact O-N 3.29Å; Y174-K177 PolarHBondContact O-N 3.36Å; T175-K177 PolarHBondContact O-N 3.36Å; K177-M179 PolarHBondContact O-N 3.38Å; K177-M179 VanDerWaalsContact O-N 3.13Å
178K86.1Confident86.4Confident59 Ų5955.1 Ų55.126%0.25728%0.279SS..  trans-82.944.7172.1-68.4-169171-169.70111.9L149 F152 D153 F155 F173 T176L149-K178 HydrophobicContact CD1-CB 3.94Å; L149-K178 HydrophobicContact CD1-CD 3.98Å; L149-K178 HydrophobicContact CD1-CG 4.45Å; L149-K178 HydrophobicContact CG-CD 4.19Å; L149-K178 PolarHBondContact O-NZ 3.12Å; L149-K178 VanDerWaalsContact O-NZ 3.11Å; F152-K178 PolarHBondContact O-NZ 2.82Å; D153-K178 IonicContact OD1-NZ 3.77Å; D153-K178 PolarHBondContact OD1-NZ 2.73Å; F155-K178 HydrophobicContact CD2-CB 4.17Å; F155-K178 WeakPolarHBondContact CD2-O 3.17Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.27Å; F173-K178 CarbonylContact O-C 3.56Å; F173-K178 PolarHBondContact O-N 3.33Å; F173-K178 VanDerWaalsContact O-N 3.15Å; T176-K178 PolarHBondContact O-N 3.34Å
179M87.7Confident86.2Confident41 Ų4158 Ų5820%0.20230%0.296CS..PPolyproline II helixtrans-76.2141.9179.770.4-177.478.900111.6Y174 K177 R202Y174-M179 HydrophobicContact CD1-CB 3.82Å; Y174-M179 HydrophobicContact CD1-CE 4.05Å; Y174-M179 HydrophobicContact CD1-SD 4.24Å; Y174-M179 HydrophobicContact CE1-CB 3.64Å; Y174-M179 HydrophobicContact CE1-CG 4.46Å; Y174-M179 HydrophobicContact CE1-SD 4.17Å; K177-M179 PolarHBondContact O-N 3.38Å; K177-M179 VanDerWaalsContact O-N 3.13Å; M179-R202 VanDerWaalsContact CG-CZ 3.5Å; M179-R202 PolarHBondContact O-NH1 3.43Å; M179-R202 PolarHBondContact SD-NH2 3.41Å
180P90.8Very high86Confident12 Ų1258 Ų588%0.07830%0.296CS..PPolyproline II helixtrans-60.8142.7-176.1-22.231.4000114.2F98 F155 L165 L169F98-P180 HydrophobicContact CD2-CB 4.16Å; F98-P180 HydrophobicContact CD2-CG 3.97Å; F98-P180 HydrophobicContact CE2-CB 4.4Å; F98-P180 HydrophobicContact CE2-CG 3.82Å; F155-P180 HydrophobicContact CB-CB 3.95Å; F155-P180 HydrophobicContact CB-CG 3.95Å; F155-P180 CarbonylContact O-C 3.57Å; F155-P180 VanDerWaalsContact O-CA 3.31Å; F155-P180 WeakPolarHBondContact O-CA 3.46Å; L165-P180 HydrophobicContact CD1-CB 3.98Å; L165-P180 HydrophobicContact CD1-CG 4.08Å; L169-P180 HydrophobicContact CD1-CG 3.33Å
181I90.8Very high86Confident24 Ų2457.9 Ų57.912%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-98.4121.5177.2-51.2176.6000109M154 F155 L156 S157 L197M154-I181 HydrophobicContact CE-CD1 4.17Å; F155-I181 PolarHBondContact O-N 3.39Å; L156-I181 CarbonylContact C-O 3.59Å; L156-I181 WeakPolarHBondContact CA-O 3.45Å; L156-I181 HydrophobicContact CD2-CB 4.04Å; S157-I181 PolarHBondContact N-O 3.05Å; I181-L197 HydrophobicContact CB-CD2 4.12Å; I181-L197 HydrophobicContact CG2-CD2 3.36Å; I181-L197 HydrophobicContact CG2-CG 4.14Å
182S90.5Very high86Confident16 Ų1657.9 Ų57.911%0.11229%0.291CS..EExtended strand (participates in β ladder)trans-75.4134.3-179.855.70000112.6R81 S157 R162R81-S182 PolarHBondContact NH1-O 3.3Å; R81-S182 PolarHBondContact NH2-O 3.13Å; R81-S182 PolarHBondContact NH2-OG 3.12Å; S157-S182 CarbonylContact O-C 3.59Å; S157-S182 VanDerWaalsContact O-CA 3.24Å; S157-S182 WeakPolarHBondContact O-CA 3.22Å; R162-S182 PolarHBondContact NH1-OG 3.5Å
183I90.6Very high86.1Confident9 Ų957.9 Ų57.95%0.04629%0.292CS..EExtended strand (participates in β ladder)trans-127.6143.1177.5-56.3-173.6000108.4L156 S157 D158 E159 L185 L190 V194 L197L156-I183 HydrophobicContact CB-CD1 4.12Å; L156-I183 HydrophobicContact CD1-CD1 3.67Å; L156-I183 HydrophobicContact CD2-CD1 3.61Å; L156-I183 HydrophobicContact CD2-CG1 4.23Å; L156-I183 HydrophobicContact CG-CD1 3.99Å; S157-I183 PolarHBondContact O-N 3.11Å; D158-I183 CarbonylContact C-O 3.51Å; D158-I183 WeakPolarHBondContact CA-O 3.45Å; E159-I183 PolarHBondContact N-O 2.9Å; I183-L185 PolarHBondContact O-N 2.82Å; I183-L190 HydrophobicContact CG2-CD1 3.56Å; I183-V194 HydrophobicContact CD1-CG2 3.81Å; I183-V194 HydrophobicContact CG2-CG2 4.45Å; I183-L197 HydrophobicContact CD1-CD2 3.64Å; I183-L197 HydrophobicContact CG1-CD2 3.46Å; I183-L197 VanDerWaalsContact CG1-CD2 3.46Å
184N88.7Confident86.2Confident67 Ų6758.1 Ų58.136%0.35829%0.294SS..  trans-86.1105.5170.8-173.6-9.5000109.6Q186 S187N184-Q186 PolarHBondContact O-N 3.41Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.36Å; N184-Q186 PolarHBondContact OD1-N 2.93Å; N184-S187 PolarHBondContact O-N 3.43Å; N184-S187 PolarHBondContact O-OG 3.11Å; N184-S187 VanDerWaalsContact O-OG 3.13Å
185L83.6Confident86.3Confident2 Ų259.1 Ų59.11%0.0130%0.301CS..THydrogen-bonded Turntrans-72.6-13.3179.6-72.1171.3000113.8L97 T99 Y114 D158 I183 L190L97-L185 HydrophobicContact CD2-CD2 4.15Å; T99-L185 HydrophobicContact CG2-CD1 4.04Å; Y114-L185 HydrophobicContact CD1-CD1 4.36Å; Y114-L185 HydrophobicContact CE1-CD1 3.95Å; D158-L185 HydrophobicContact CB-CD1 3.73Å; D158-L185 HydrophobicContact CB-CG 4.4Å; I183-L185 PolarHBondContact O-N 2.82Å; L185-L190 HydrophobicContact CD2-CD1 3.99Å; L185-L190 HydrophobicContact CD2-CD2 3.97Å
186Q82.9Confident86.3Confident109 Ų10960.1 Ų60.151%0.50930%0.295SS..THydrogen-bonded Turntrans-88.8-15-179.8-58.6-64.8-50.500112.4N184N184-Q186 PolarHBondContact O-N 3.41Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.36Å; N184-Q186 PolarHBondContact OD1-N 2.93Å
187S81.1Confident86.5Confident27 Ų2758.3 Ų58.319%0.18928%0.283CS..SBendtrans-68.2143.9-176.8720000111.1R121 N184 N189 D193R121-S187 PolarHBondContact NH1-O 3.46Å; N184-S187 PolarHBondContact O-N 3.43Å; N184-S187 PolarHBondContact O-OG 3.11Å; N184-S187 VanDerWaalsContact O-OG 3.13Å; S187-N189 PolarHBondContact O-N 3.19Å; S187-D193 PolarHBondContact OG-OD2 3.09Å
188N78.4Confident86.6Confident143 Ų14352.7 Ų52.777%0.76526%0.259SS*.THydrogen-bonded Turntrans-63.2-30.1179.4-66.8-17.4000112.5R121 L190R121-N188 PolarHBondContact NH1-O 3.12Å; N188-L190 PolarHBondContact O-N 2.68Å
189N84.2Confident86.7Confident109 Ų10952.7 Ų52.758%0.58326%0.26SS*.THydrogen-bonded Turntrans-96.837.2-174.9-63.2-40000113.9S187 G191 R192 D193S187-N189 PolarHBondContact O-N 3.19Å; N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 3.11Å; N189-R192 PolarHBondContact O-N 2.96Å; N189-D193 PolarHBondContact O-N 3.41Å; N189-D193 VanDerWaalsContact O-N 3.14Å
190L84.4Confident86.7Confident0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-55.4-42.8-177-177.160.5000112.9L118 V123 I183 L185 N188 R192 D193 V194L118-L190 HydrophobicContact CD2-CD2 3.82Å; V123-L190 HydrophobicContact CG2-CG 4.37Å; I183-L190 HydrophobicContact CG2-CD1 3.56Å; L185-L190 HydrophobicContact CD2-CD1 3.99Å; L185-L190 HydrophobicContact CD2-CD2 3.97Å; N188-L190 PolarHBondContact O-N 2.68Å; L190-R192 PolarHBondContact O-N 3.28Å; L190-D193 PolarHBondContact O-N 2.71Å; L190-V194 HydrophobicContact CD1-CG2 3.77Å; L190-V194 HydrophobicContact CG-CG2 4.07Å; L190-V194 WeakPolarHBondContact O-CB 3.45Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.05Å; L190-V194 PolarHBondContact O-N 3.07Å
191G85.5Confident86.6Confident18 Ų1851.5 Ų51.519%0.18626%0.256CS..Hα-helixtrans-55.6-50.3-179.700000112.8N189 D193 V194 Q195N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 3.11Å; G191-D193 PolarHBondContact O-N 2.64Å; G191-V194 PolarHBondContact O-N 3.34Å; G191-Q195 VanDerWaalsContact O-CB 3.27Å; G191-Q195 WeakPolarHBondContact O-CB 3.31Å; G191-Q195 PolarHBondContact O-N 3.25Å
192R87.8Confident86.5Confident162 Ų16252.8 Ų52.861%0.61126%0.26SS*.Hα-helixtrans-64.9-40.3178.9-171.8-178.2-175-170.53.2112.2N189 L190 R196N189-R192 PolarHBondContact O-N 2.96Å; L190-R192 PolarHBondContact O-N 3.28Å; R192-R196 VanDerWaalsContact O-CB 3.23Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 2.92Å
193D88.3Confident86.4Confident47 Ų4752 Ų5225%0.25126%0.255SS..Hα-helixtrans-66.6-46.2179.7-73.6-22.9000111S187 N189 L190 G191 R196 L197S187-D193 PolarHBondContact OG-OD2 3.09Å; N189-D193 PolarHBondContact O-N 3.41Å; N189-D193 VanDerWaalsContact O-N 3.14Å; L190-D193 PolarHBondContact O-N 2.71Å; G191-D193 PolarHBondContact O-N 2.64Å; D193-R196 PolarHBondContact O-N 3.01Å; D193-L197 WeakPolarHBondContact O-CD1 3.48Å; D193-L197 PolarHBondContact O-N 2.76Å
194V88.2Confident86.3Confident4 Ų452.6 Ų52.62%0.02426%0.259CS..Hα-helixtrans-62.1-49176.3175.60000110.3V123 L156 I183 L190 G191 R196 L197 V198V123-V194 HydrophobicContact CG1-CB 4.27Å; V123-V194 HydrophobicContact CG1-CG1 3.74Å; V123-V194 HydrophobicContact CG1-CG2 4.43Å; V123-V194 HydrophobicContact CG2-CB 4.23Å; V123-V194 HydrophobicContact CG2-CG2 4.16Å; L156-V194 HydrophobicContact CD1-CG1 4.26Å; I183-V194 HydrophobicContact CD1-CG2 3.81Å; I183-V194 HydrophobicContact CG2-CG2 4.45Å; L190-V194 HydrophobicContact CD1-CG2 3.77Å; L190-V194 HydrophobicContact CG-CG2 4.07Å; L190-V194 WeakPolarHBondContact O-CB 3.45Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.05Å; L190-V194 PolarHBondContact O-N 3.07Å; G191-V194 PolarHBondContact O-N 3.34Å; V194-R196 VanDerWaalsContact C-N 3.33Å; V194-R196 PolarHBondContact O-N 3.33Å; V194-L197 WeakPolarHBondContact O-CA 3.24Å; V194-L197 WeakPolarHBondContact O-CB 3.36Å; V194-L197 PolarHBondContact O-N 3.24Å; V194-V198 HydrophobicContact CG1-CG2 4.05Å; V194-V198 WeakPolarHBondContact O-CG2 3.37Å; V194-V198 PolarHBondContact O-N 3.03Å
195Q87.4Confident86.3Confident102 Ų10249.5 Ų49.548%0.47724%0.242SC..Hα-helixtrans-58-45.5179.1-174.9179.210.600111.6G191 L197 V198 Q199G191-Q195 VanDerWaalsContact O-CB 3.27Å; G191-Q195 WeakPolarHBondContact O-CB 3.31Å; G191-Q195 PolarHBondContact O-N 3.25Å; Q195-L197 VanDerWaalsContact C-N 3.25Å; Q195-L197 PolarHBondContact O-N 2.89Å; Q195-V198 PolarHBondContact O-N 2.93Å; Q195-Q199 HydrophobicContact CG-CG 4.3Å; Q195-Q199 VanDerWaalsContact O-CB 3.31Å; Q195-Q199 WeakPolarHBondContact O-CB 3.49Å; Q195-Q199 VanDerWaalsContact O-CG 3.26Å; Q195-Q199 WeakPolarHBondContact O-CG 3.29Å; Q195-Q199 PolarHBondContact O-N 3.37Å
196R87.9Confident86.5Confident112 Ų11251.4 Ų51.442%0.42325%0.254SS..Hα-helixtrans-59.8-36.4175.5179.1-174.7-74.2170.4-7.6112.2P83 R192 D193 V194 G200P83-R196 HydrophobicContact CB-CG 4.07Å; R192-R196 VanDerWaalsContact O-CB 3.23Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 2.92Å; D193-R196 PolarHBondContact O-N 3.01Å; V194-R196 VanDerWaalsContact C-N 3.33Å; V194-R196 PolarHBondContact O-N 3.33Å; R196-G200 WeakPolarHBondContact O-CA 3.32Å; R196-G200 PolarHBondContact O-N 3.26Å
197L87.7Confident86.7Confident29 Ų2949.7 Ų49.715%0.15225%0.248CC..Hα-helixtrans-74.2-40.3178.6-96.772.4000112.4M154 L156 I181 I183 D193 V194 Q195M154-L197 HydrophobicContact CE-CB 4.15Å; L156-L197 HydrophobicContact CD2-CD2 3.99Å; I181-L197 HydrophobicContact CB-CD2 4.12Å; I181-L197 HydrophobicContact CG2-CD2 3.36Å; I181-L197 HydrophobicContact CG2-CG 4.14Å; I183-L197 HydrophobicContact CD1-CD2 3.64Å; I183-L197 HydrophobicContact CG1-CD2 3.46Å; I183-L197 VanDerWaalsContact CG1-CD2 3.46Å; D193-L197 WeakPolarHBondContact O-CD1 3.48Å; D193-L197 PolarHBondContact O-N 2.76Å; V194-L197 WeakPolarHBondContact O-CA 3.24Å; V194-L197 WeakPolarHBondContact O-CB 3.36Å; V194-L197 PolarHBondContact O-N 3.24Å; Q195-L197 VanDerWaalsContact C-N 3.25Å; Q195-L197 PolarHBondContact O-N 2.89Å
198V86.8Confident86.8Confident15 Ų1559 Ų599%0.09128%0.279CS..Hα-helixtrans-67.1-45.8178.3172.20000110R89 N125 M154 V194 Q195R89-V198 VanDerWaalsContact CD-O 3.25Å; R89-V198 WeakPolarHBondContact CD-O 3.34Å; R89-V198 PolarHBondContact NE-O 2.76Å; N125-V198 HydrophobicContact CB-CG2 4.46Å; M154-V198 HydrophobicContact CE-CG2 4.05Å; V194-V198 HydrophobicContact CG1-CG2 4.05Å; V194-V198 WeakPolarHBondContact O-CG2 3.37Å; V194-V198 PolarHBondContact O-N 3.03Å; Q195-V198 PolarHBondContact O-N 2.93Å
199Q87.3Confident87.2Confident59 Ų5953.4 Ų53.428%0.27626%0.255SS..Hα-helixtrans-67.8-36.6176.7-70.2173.7-21.600112.3Q195Q195-Q199 HydrophobicContact CG-CG 4.3Å; Q195-Q199 VanDerWaalsContact O-CB 3.31Å; Q195-Q199 WeakPolarHBondContact O-CB 3.49Å; Q195-Q199 VanDerWaalsContact O-CG 3.26Å; Q195-Q199 WeakPolarHBondContact O-CG 3.29Å; Q195-Q199 PolarHBondContact O-N 3.37Å
200G87.1Confident87.4Confident8 Ų850.6 Ų50.68%0.08224%0.243CC..  trans-72.2167-177.500000114.4I82 R196I82-G200 CarbonylContact O-C 3.56Å; I82-G200 WeakPolarHBondContact O-CA 3.25Å; R196-G200 WeakPolarHBondContact O-CA 3.32Å; R196-G200 PolarHBondContact O-N 3.26Å
201T88.6Confident87.6Confident19 Ų1953.7 Ų53.712%0.11726%0.264CS..EExtended strand (participates in β ladder)trans-117.4170.9170.4-37.70000111.3I82 L84 Q88 R215I82-T201 WeakPolarHBondContact CA-O 3.44Å; I82-T201 PolarHBondContact N-O 3.28Å; I82-T201 PolarHBondContact O-N 3.31Å; L84-T201 VanDerWaalsContact CD1-OG1 3.22Å; L84-T201 WeakPolarHBondContact CD1-OG1 3.1Å; Q88-T201 PolarHBondContact NE2-OG1 3.01Å; Q88-T201 PolarHBondContact OE1-OG1 3.39Å; T201-R215 WeakPolarHBondContact CB-O 3.4Å; T201-R215 HydrophobicContact CG2-CB 4.11Å; T201-R215 WeakPolarHBondContact CG2-O 3.21Å; T201-R215 PolarHBondContact OG1-O 3.01Å
202R88.7Confident87.9Confident51 Ų5153.1 Ų53.119%0.19226%0.257CS..EExtended strand (participates in β ladder)trans-121.1142.4173.160.6-178.6-62.5159.71.7109.9I80 M179I80-R202 CarbonylContact O-C 3.58Å; I80-R202 WeakPolarHBondContact O-CA 3.5Å; M179-R202 VanDerWaalsContact CG-CZ 3.5Å; M179-R202 PolarHBondContact O-NH1 3.43Å; M179-R202 PolarHBondContact SD-NH2 3.41Å
203L89.9Confident88.1Confident1 Ų151 Ų511%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-117.1115.3168.7179.467.4000108.1F68 I80 I82 V205 A214 V237F68-L203 HydrophobicContact CD2-CD1 4.04Å; F68-L203 HydrophobicContact CD2-CD2 3.85Å; F68-L203 HydrophobicContact CE2-CD1 4.49Å; F68-L203 HydrophobicContact CE2-CD2 4.1Å; F68-L203 HydrophobicContact CG-CD2 4.4Å; I80-L203 HydrophobicContact CB-CB 4.43Å; I80-L203 PolarHBondContact N-O 3.18Å; I80-L203 PolarHBondContact O-N 2.92Å; I82-L203 HydrophobicContact CD1-CB 3.83Å; L203-V205 HydrophobicContact CD2-CG2 4.02Å; L203-V205 HydrophobicContact CG-CG2 3.98Å; L203-A214 HydrophobicContact CB-CB 4.1Å; L203-A214 HydrophobicContact CD1-CB 3.78Å; L203-A214 HydrophobicContact CG-CB 4.49Å; L203-V237 HydrophobicContact CD2-CB 4.45Å; L203-V237 HydrophobicContact CD2-CG1 3.84Å; L203-V237 HydrophobicContact CD2-CG2 3.65Å
204T88.6Confident88.2Confident21 Ų2148.8 Ų48.813%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-95.5106.3172.9-550000108.4T77 T206T77-T204 HydrophobicContact CG2-CG2 4.05Å; T204-T206 HydrophobicContact CG2-CG2 4.4Å
205V88.8Confident88.4Confident2 Ų254.1 Ų54.11%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-90112.8174.9-168.50000108.2L70 P74 T77 Q78 I80 L203 L241L70-V205 HydrophobicContact CD1-CG1 3.62Å; P74-V205 HydrophobicContact CG-CB 4.47Å; P74-V205 HydrophobicContact CG-CG1 3.6Å; T77-V205 CarbonylContact C-O 3.58Å; T77-V205 VanDerWaalsContact CA-O 3.31Å; T77-V205 WeakPolarHBondContact CA-O 3.18Å; T77-V205 WeakPolarHBondContact CG2-O 3.25Å; Q78-V205 PolarHBondContact N-O 3.35Å; Q78-V205 PolarHBondContact O-N 2.79Å; I80-V205 HydrophobicContact CD1-CG2 4.22Å; L203-V205 HydrophobicContact CD2-CG2 4.02Å; L203-V205 HydrophobicContact CG-CG2 3.98Å; V205-L241 HydrophobicContact CG2-CD1 4.41Å
206T86.9Confident88.5Confident41 Ų4149.3 Ų49.325%0.25224%0.242SC..  trans-88161.7-178.366.10000111.4T204 R208T204-T206 HydrophobicContact CG2-CG2 4.4Å; T206-R208 VanDerWaalsContact C-N 3.33Å
207N86.1Confident88.6Confident74 Ų7444 Ų4440%0.39622%0.221SC..SBendtrans-88.21.7174.568.2-24.9000113.7I73 P74I73-N207 VanDerWaalsContact CG2-C 3.44Å; I73-N207 VanDerWaalsContact CG2-O 3.28Å; I73-N207 WeakPolarHBondContact CG2-O 3.49Å; P74-N207 WeakPolarHBondContact O-CB 3.4Å
208R85.1Confident88.7Confident223 Ų22344.5 Ų44.584%0.84222%0.223SC*.SBendtrans-97.6-21-175.6-65.4-66.1-170170.12.2113.2T206T206-R208 VanDerWaalsContact C-N 3.33Å
209G86.4Confident88.6Confident24 Ų2444.8 Ų44.825%0.24723%0.225CC..  trans-147.2161.7-174.700000113.1
210C86.9Confident88.5Confident50 Ų5046.4 Ų46.434%0.33824%0.236SC..SBendtrans-85.1-17.2177.555.70000113.4L70 I73L70-C210 PolarHBondContact N-O 2.79Å; L70-C210 WeakPolarHBondContact O-CB 3.46Å; I73-C210 HydrophobicContact CG1-CB 4.21Å
211C89.9Confident88.6Confident65 Ų6546.9 Ų46.944%0.43924%0.237SC..EExtended strand (participates in β ladder)trans-98.6135.5-176.1-61.30000111.3L67 F68L67-C211 HydrophobicContact CD1-CB 4.13Å; F68-C211 CarbonylContact O-C 3.59Å; F68-C211 VanDerWaalsContact O-CA 3.31Å; F68-C211 WeakPolarHBondContact O-CA 3.28Å
212S91.3Very high88.7Confident7 Ų749.6 Ų49.65%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-142.7135.8175.7-63.70000110.1F68F68-S212 PolarHBondContact N-O 2.93Å; F68-S212 PolarHBondContact O-N 3.32Å
213M91.4Very high88.9Confident116 Ų11647.9 Ų47.957%0.57125%0.25SS*.EExtended strand (participates in β ladder)trans-114.7136.6-174.5-170.717069.700110.5L66 L67L66-M213 CarbonylContact O-C 3.58Å; L66-M213 VanDerWaalsContact O-CA 3.29Å; L66-M213 WeakPolarHBondContact O-CA 3.23Å; L67-M213 HydrophobicContact CD1-CB 4.18Å
214A91.4Very high89Confident2 Ų251.2 Ų51.22%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-128.3136.6171.600000109.9S65 L66 F68 I82 L203S65-A214 CarbonylContact C-O 3.53Å; S65-A214 WeakPolarHBondContact CA-O 3.42Å; S65-A214 WeakPolarHBondContact CB-O 3.36Å; L66-A214 PolarHBondContact N-O 3.09Å; L66-A214 PolarHBondContact O-N 3.18Å; F68-A214 HydrophobicContact CE2-CB 4.46Å; I82-A214 HydrophobicContact CD1-CB 4.38Å; L203-A214 HydrophobicContact CB-CB 4.1Å; L203-A214 HydrophobicContact CD1-CB 3.78Å; L203-A214 HydrophobicContact CG-CB 4.49Å
215R91.2Very high89.2Confident116 Ų11653.3 Ų53.344%0.43828%0.276SS..EExtended strand (participates in β ladder)trans-71.1141.5169.6-165.6-179.2-70.5161.7-8108.9P63 Q88 T201P63-R215 HydrophobicContact CB-CG 3.97Å; Q88-R215 VanDerWaalsContact OE1-CG 3.29Å; Q88-R215 PolarHBondContact OE1-O 3.36Å; T201-R215 WeakPolarHBondContact CB-O 3.4Å; T201-R215 HydrophobicContact CG2-CB 4.11Å; T201-R215 WeakPolarHBondContact CG2-O 3.21Å; T201-R215 PolarHBondContact OG1-O 3.01Å
216V91.1Very high89.3Confident1 Ų153.2 Ų53.21%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-134-25.5-176.3179.80000112.6I64 L66 L84 Q88 N229 V230 A233I64-V216 PolarHBondContact O-N 3Å; L66-V216 HydrophobicContact CB-CG2 4.1Å; L66-V216 HydrophobicContact CD1-CG2 3.7Å; L66-V216 HydrophobicContact CG-CB 4.4Å; L66-V216 HydrophobicContact CG-CG2 3.7Å; L84-V216 WeakPolarHBondContact CD1-O 3.23Å; L84-V216 HydrophobicContact CD2-CG1 4.29Å; Q88-V216 VanDerWaalsContact OE1-N 3.12Å; V216-N229 HydrophobicContact CG1-CB 3.63Å; V216-N229 PolarHBondContact O-ND2 3.49Å; V216-N229 VanDerWaalsContact O-ND2 3.16Å; V216-V230 HydrophobicContact CG1-CG2 4.02Å; V216-A233 HydrophobicContact CG1-CB 4.42Å; V216-A233 HydrophobicContact CG2-CB 4.25Å
217A90.5Very high89.6Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-157.4178.1179.300000111I64 M221 V226I64-A217 HydrophobicContact CB-CB 4.18Å; I64-A217 HydrophobicContact CD1-CB 4.46Å; I64-A217 PolarHBondContact N-O 3.26Å; I64-A217 PolarHBondContact O-N 3.17Å; A217-M221 HydrophobicContact CB-SD 3.69Å; A217-V226 HydrophobicContact CB-CB 4.28Å; A217-V226 HydrophobicContact CB-CG1 3.93Å; A217-V226 HydrophobicContact CB-CG2 3.6Å
218H88.4Confident90Very high39 Ų3951.4 Ų51.418%0.18126%0.262CS..EExtended strand (participates in β ladder)trans-123.2168.8167.862.1-91.9000110.1Q62 Q88 N220 M221Q62-H218 CarbonylContact O-C 3.52Å; Q62-H218 WeakPolarHBondContact O-CA 3.45Å; Q88-H218 PolarHBondContact O-ND1 3.16Å; H218-N220 PolarHBondContact CD2-N 3Å; H218-N220 VanDerWaalsContact CD2-N 3.28Å; H218-N220 PolarHBondContact O-N 3.35Å; H218-M221 WeakPolarHBondContact CE1-CG 3.24Å; H218-M221 WeakPolarHBondContact ND1-CG 3.13Å; H218-M221 WeakPolarHBondContact NE2-CG 3.48Å; H218-M221 PolarHBondContact O-N 3.19Å
219S85.9Confident90.4Very high21 Ų2140.8 Ų40.815%0.14722%0.222CC..THydrogen-bonded Turntrans-61.9-27.3-175.3530000114.8G61 Q62 M221G61-S219 VanDerWaalsContact C-OG 3.28Å; G61-S219 WeakPolarHBondContact CA-OG 2.89Å; Q62-S219 PolarHBondContact N-OG 3.45Å; Q62-S219 PolarHBondContact O-N 3.48Å; S219-M221 VanDerWaalsContact C-N 3.32Å
220N85.4Confident90.7Very high93 Ų9339.7 Ų39.750%0.49721%0.21SC..THydrogen-bonded Turntrans-86.1-4.8-172-50.8-9000112.6H218H218-N220 PolarHBondContact CD2-N 3Å; H218-N220 VanDerWaalsContact CD2-N 3.28Å; H218-N220 PolarHBondContact O-N 3.35Å
221M87.9Confident90.9Very high19 Ų1938.4 Ų38.49%0.09420%0.199CC..SBendtrans-76.7153.1173.9-56.7-171.5110.800112Q44 H86 G87 A217 H218 S219 V226Q44-M221 PolarHBondContact NE2-O 2.67Å; H86-M221 HydrophobicContact CB-CE 4.04Å; G87-M221 WeakPolarHBondContact O-CE 3.32Å; A217-M221 HydrophobicContact CB-SD 3.69Å; H218-M221 WeakPolarHBondContact CE1-CG 3.24Å; H218-M221 WeakPolarHBondContact ND1-CG 3.13Å; H218-M221 WeakPolarHBondContact NE2-CG 3.48Å; H218-M221 PolarHBondContact O-N 3.19Å; S219-M221 VanDerWaalsContact C-N 3.32Å; M221-V226 HydrophobicContact CB-CG2 3.77Å
222T91.4Very high91Very high75 Ų7536.2 Ų36.246%0.4619%0.186SC..  trans-70.4150.1176.167.50000111.3D224 E225 V226T222-D224 PolarHBondContact O-N 3.21Å; T222-E225 PolarHBondContact N-OE2 2.99Å; T222-E225 PolarHBondContact O-N 3.46Å; T222-E225 WeakPolarHBondContact OG1-CB 3.4Å; T222-E225 WeakPolarHBondContact OG1-CG 3.29Å; T222-E225 PolarHBondContact OG1-N 3.03Å; T222-E225 PolarHBondContact OG1-OE2 3.28Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.19Å; T222-V226 VanDerWaalsContact O-N 3.11Å
223A91.8Very high91.1Very high16 Ų1635.9 Ų35.913%0.13218%0.184CC..Hα-helixtrans-58-34-17900000112.7V40 Q41 T227V40-A223 HydrophobicContact CG1-CB 4.01Å; Q41-A223 HydrophobicContact CG-CB 4.21Å; A223-T227 WeakPolarHBondContact O-CG2 3.47Å; A223-T227 PolarHBondContact O-N 3.27Å
224D92.3Very high91Very high70 Ų7030.6 Ų30.637%0.37416%0.157SC..Hα-helixtrans-71.4-45.1-179.5-67.6-41000111.7K37 T222 V226 T227 E228K37-D224 WeakPolarHBondContact CE-OD1 3.28Å; K37-D224 IonicContact NZ-OD1 2.63Å; K37-D224 PolarHBondContact NZ-OD1 3.45Å; K37-D224 IonicContact NZ-OD2 3.28Å; T222-D224 PolarHBondContact O-N 3.21Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3.1Å; D224-T227 PolarHBondContact O-N 3Å; D224-T227 VanDerWaalsContact O-N 3.09Å; D224-T227 PolarHBondContact O-OG1 2.99Å; D224-E228 PolarHBondContact O-N 2.93Å
225E92.3Very high91Very high65 Ų6538.3 Ų38.330%0.30419%0.186SC..Hα-helixtrans-59.1-40.8174.1-70.2162.8161.400111.9H86 T222 T227 E228 N229H86-E225 HydrophobicContact CB-CB 4.32Å; T222-E225 PolarHBondContact N-OE2 2.99Å; T222-E225 PolarHBondContact O-N 3.46Å; T222-E225 WeakPolarHBondContact OG1-CB 3.4Å; T222-E225 WeakPolarHBondContact OG1-CG 3.29Å; T222-E225 PolarHBondContact OG1-N 3.03Å; T222-E225 PolarHBondContact OG1-OE2 3.28Å; E225-T227 VanDerWaalsContact C-N 3.33Å; E225-T227 PolarHBondContact O-N 3.35Å; E225-E228 PolarHBondContact O-N 3.43Å; E225-N229 WeakPolarHBondContact O-CB 3.33Å; E225-N229 PolarHBondContact O-N 3.1Å
226V92.5Very high90.9Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-63.9-40.6176.6179.40000110.8V40 A217 M221 T222 D224 E228 N229 V230V40-V226 HydrophobicContact CB-CG1 4.49Å; V40-V226 HydrophobicContact CG1-CB 3.87Å; V40-V226 HydrophobicContact CG1-CG1 3.84Å; V40-V226 HydrophobicContact CG1-CG2 4.5Å; V40-V226 HydrophobicContact CG2-CB 4.41Å; V40-V226 HydrophobicContact CG2-CG1 3.73Å; A217-V226 HydrophobicContact CB-CB 4.28Å; A217-V226 HydrophobicContact CB-CG1 3.93Å; A217-V226 HydrophobicContact CB-CG2 3.6Å; M221-V226 HydrophobicContact CB-CG2 3.77Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.19Å; T222-V226 VanDerWaalsContact O-N 3.11Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3.1Å; V226-E228 PolarHBondContact O-N 3.37Å; V226-N229 PolarHBondContact O-N 3.03Å; V226-V230 HydrophobicContact CG1-CG2 4.34Å; V226-V230 VanDerWaalsContact O-CG2 3.25Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 3.37Å
227T93.3Very high90.8Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-62.4-43.2177.362.80000111.9V36 K37 V40 A223 D224 E225 V230 E231V36-T227 HydrophobicContact CG1-CG2 3.95Å; K37-T227 HydrophobicContact CB-CG2 3.9Å; K37-T227 HydrophobicContact CG-CG2 4.31Å; V40-T227 HydrophobicContact CG2-CG2 4.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.47Å; A223-T227 PolarHBondContact O-N 3.27Å; D224-T227 PolarHBondContact O-N 3Å; D224-T227 VanDerWaalsContact O-N 3.09Å; D224-T227 PolarHBondContact O-OG1 2.99Å; E225-T227 VanDerWaalsContact C-N 3.33Å; E225-T227 PolarHBondContact O-N 3.35Å; T227-V230 PolarHBondContact O-N 3.4Å; T227-E231 WeakPolarHBondContact O-CG 3.29Å; T227-E231 PolarHBondContact O-N 3.22Å
228E93.2Very high90.6Very high78 Ų7835.6 Ų35.636%0.36419%0.186SC..Hα-helixtrans-64.5-41.5177.5-69.5179.8-177.200111.9P85 H86 D224 E225 V226 V230 E231 A232P85-E228 HydrophobicContact CG-CB 4.4Å; H86-E228 IonicContact CD2-OE2 3.31Å; H86-E228 IonicContact CE1-OE2 3.79Å; H86-E228 IonicContact NE2-OE2 2.77Å; H86-E228 PolarHBondContact NE2-OE2 3.19Å; D224-E228 PolarHBondContact O-N 2.93Å; E225-E228 PolarHBondContact O-N 3.43Å; V226-E228 PolarHBondContact O-N 3.37Å; E228-V230 PolarHBondContact O-N 2.89Å; E228-E231 PolarHBondContact O-N 2.86Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.25Å
229N93.9Very high90.5Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-61.6-42.6174.4-82.5-1.1000112L84 P85 H86 V216 E225 V226 A232 A233L84-N229 HydrophobicContact CD2-CB 4.24Å; P85-N229 WeakPolarHBondContact CD-OD1 3.48Å; P85-N229 VanDerWaalsContact CG-OD1 3.23Å; P85-N229 WeakPolarHBondContact CG-OD1 3.44Å; H86-N229 WeakPolarHBondContact CB-OD1 3.38Å; H86-N229 PolarHBondContact N-OD1 3.04Å; H86-N229 PolarHBondContact O-ND2 3.4Å; H86-N229 PolarHBondContact O-OD1 3.46Å; V216-N229 HydrophobicContact CG1-CB 3.63Å; V216-N229 PolarHBondContact O-ND2 3.49Å; V216-N229 VanDerWaalsContact O-ND2 3.16Å; E225-N229 WeakPolarHBondContact O-CB 3.33Å; E225-N229 PolarHBondContact O-N 3.1Å; V226-N229 PolarHBondContact O-N 3.03Å; N229-A232 PolarHBondContact O-N 3.38Å; N229-A233 VanDerWaalsContact O-CB 3.22Å; N229-A233 WeakPolarHBondContact O-CB 3.07Å; N229-A233 PolarHBondContact O-N 3.46Å
230V92.8Very high90.5Very high0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-63.5-46.6177.8168.60000110.8V36 L66 V216 V226 T227 E228 A233 V234 L253 I263V36-V230 HydrophobicContact CG1-CB 4.15Å; V36-V230 HydrophobicContact CG1-CG1 3.9Å; L66-V230 HydrophobicContact CD1-CB 4.34Å; L66-V230 HydrophobicContact CD1-CG1 3.97Å; L66-V230 HydrophobicContact CD1-CG2 4.17Å; L66-V230 HydrophobicContact CD2-CG1 4.1Å; L66-V230 HydrophobicContact CD2-CG2 4.12Å; L66-V230 HydrophobicContact CG-CG2 4.35Å; V216-V230 HydrophobicContact CG1-CG2 4.02Å; V226-V230 HydrophobicContact CG1-CG2 4.34Å; V226-V230 VanDerWaalsContact O-CG2 3.25Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 3.37Å; T227-V230 PolarHBondContact O-N 3.4Å; E228-V230 PolarHBondContact O-N 2.89Å; V230-A233 PolarHBondContact O-N 3.31Å; V230-V234 WeakPolarHBondContact O-CG2 3.4Å; V230-V234 PolarHBondContact O-N 3.22Å; V230-L253 HydrophobicContact CG2-CD1 4.3Å; V230-I263 HydrophobicContact CG1-CD1 4.19Å
231E92Very high90.4Very high24 Ų2436.6 Ų36.611%0.11220%0.196CC..Hα-helixtrans-60.1-48.5177-72.9-177.9-163.900111.9R33 T227 E228 A233 V234 R235R33-E231 VanDerWaalsContact CD-OE1 3.29Å; R33-E231 WeakPolarHBondContact CD-OE1 3.48Å; R33-E231 VanDerWaalsContact CG-OE1 3.25Å; R33-E231 WeakPolarHBondContact CG-OE1 3.23Å; R33-E231 IonicContact NE-OE1 3.76Å; T227-E231 WeakPolarHBondContact O-CG 3.29Å; T227-E231 PolarHBondContact O-N 3.22Å; E228-E231 PolarHBondContact O-N 2.86Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 3.21Å; E231-V234 PolarHBondContact O-N 2.8Å; E231-R235 WeakPolarHBondContact O-CB 3.29Å; E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.29Å; E231-R235 PolarHBondContact O-N 2.87Å; E231-R235 IonicContact OE2-CZ 3.66Å; E231-R235 IonicContact OE2-NH1 2.77Å; E231-R235 IonicContact OE2-NH2 3.6Å; E231-R235 PolarHBondContact OE2-NH2 3.47Å
232A92.1Very high89.9Confident19 Ų1945.8 Ų45.816%0.15723%0.23CC..Hα-helixtrans-61-39.2177.700000111.9P85 E228 N229 T236P85-A232 HydrophobicContact CG-CB 4.22Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.25Å; N229-A232 PolarHBondContact O-N 3.38Å; A232-T236 WeakPolarHBondContact O-CB 3.4Å; A232-T236 PolarHBondContact O-N 3.45Å; A232-T236 PolarHBondContact O-OG1 2.79Å
233A92.1Very high89.1Confident0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-64.3-47.9177.200000111.9L66 I82 L84 V216 N229 V230 E231 T236 V237L66-A233 HydrophobicContact CD1-CB 4.09Å; I82-A233 HydrophobicContact CG2-CB 3.9Å; L84-A233 HydrophobicContact CD2-CB 4.2Å; V216-A233 HydrophobicContact CG1-CB 4.42Å; V216-A233 HydrophobicContact CG2-CB 4.25Å; N229-A233 VanDerWaalsContact O-CB 3.22Å; N229-A233 WeakPolarHBondContact O-CB 3.07Å; N229-A233 PolarHBondContact O-N 3.46Å; V230-A233 PolarHBondContact O-N 3.31Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 3.21Å; A233-T236 PolarHBondContact O-N 3.32Å; A233-V237 WeakPolarHBondContact O-CB 3.38Å; A233-V237 WeakPolarHBondContact O-CG2 3.43Å; A233-V237 PolarHBondContact O-N 3.1Å
234V90.8Very high87.8Confident4 Ų453.1 Ų53.12%0.02425%0.253CS..Hα-helixtrans-66.5-43.5-179.9178.10000111.3V29 L31 L66 F68 V230 E231 T236 V237 A238 I251V29-V234 HydrophobicContact CB-CG1 4.16Å; V29-V234 HydrophobicContact CG1-CG1 4.32Å; V29-V234 HydrophobicContact CG2-CG1 4.5Å; L31-V234 HydrophobicContact CD1-CB 3.6Å; L31-V234 HydrophobicContact CD1-CG1 3.69Å; L31-V234 HydrophobicContact CD1-CG2 3.83Å; L31-V234 HydrophobicContact CD2-CG1 4.47Å; L31-V234 HydrophobicContact CG-CG1 4.26Å; L66-V234 HydrophobicContact CD1-CG2 4.3Å; F68-V234 HydrophobicContact CE1-CG2 4.07Å; F68-V234 HydrophobicContact CZ-CG2 4.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.4Å; V230-V234 PolarHBondContact O-N 3.22Å; E231-V234 PolarHBondContact O-N 2.8Å; V234-T236 VanDerWaalsContact C-N 3.32Å; V234-T236 PolarHBondContact O-N 2.88Å; V234-V237 PolarHBondContact O-N 2.9Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 2.9Å; V234-I251 HydrophobicContact CB-CD1 4.46Å; V234-I251 HydrophobicContact CG1-CD1 3.73Å; V234-I251 HydrophobicContact CG2-CD1 3.8Å
235R90Very high86.7Confident164 Ų16451.9 Ų51.962%0.61926%0.257SS*.Hα-helixtrans-56.3-47.4174.4-72.1178.1-168.3131.411.4111.1E231 V237 A238 A239E231-R235 WeakPolarHBondContact O-CB 3.29Å; E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.29Å; E231-R235 PolarHBondContact O-N 2.87Å; E231-R235 IonicContact OE2-CZ 3.66Å; E231-R235 IonicContact OE2-NH1 2.77Å; E231-R235 IonicContact OE2-NH2 3.6Å; E231-R235 PolarHBondContact OE2-NH2 3.47Å; R235-V237 PolarHBondContact O-N 2.89Å; R235-A238 PolarHBondContact O-N 2.95Å; R235-A239 WeakPolarHBondContact O-CB 3.36Å; R235-A239 PolarHBondContact O-N 2.9Å
236T89.7Confident85.5Confident23 Ų2349.9 Ų49.914%0.14125%0.251CS..Hα-helixtrans-66-41.2-179.5-57.90000112.4I82 A232 A233 V234 A239 K240I82-T236 HydrophobicContact CG1-CG2 4.33Å; I82-T236 HydrophobicContact CG2-CG2 4.49Å; A232-T236 WeakPolarHBondContact O-CB 3.4Å; A232-T236 PolarHBondContact O-N 3.45Å; A232-T236 PolarHBondContact O-OG1 2.79Å; A233-T236 PolarHBondContact O-N 3.32Å; V234-T236 VanDerWaalsContact C-N 3.32Å; V234-T236 PolarHBondContact O-N 2.88Å; T236-A239 PolarHBondContact O-N 2.81Å; T236-K240 HydrophobicContact CG2-CD 3.65Å; T236-K240 HydrophobicContact CG2-CG 4.2Å; T236-K240 WeakPolarHBondContact O-CB 3.44Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.8Å
237V88.8Confident84.9Confident3 Ų350.7 Ų50.72%0.01826%0.255CS..Hα-helixtrans-66.3-43.5179170.60000110.5F68 I82 L203 A233 V234 R235 A239 K240 L241F68-V237 HydrophobicContact CD1-CG1 4.24Å; F68-V237 HydrophobicContact CE1-CB 4.28Å; F68-V237 HydrophobicContact CE1-CG1 4.1Å; F68-V237 HydrophobicContact CE1-CG2 4.39Å; F68-V237 HydrophobicContact CE2-CG2 4.34Å; F68-V237 HydrophobicContact CZ-CB 4.35Å; F68-V237 HydrophobicContact CZ-CG1 4.45Å; F68-V237 HydrophobicContact CZ-CG2 3.98Å; I82-V237 HydrophobicContact CD1-CG2 3.49Å; I82-V237 VanDerWaalsContact CD1-CG2 3.49Å; I82-V237 HydrophobicContact CG1-CG2 4.07Å; L203-V237 HydrophobicContact CD2-CB 4.45Å; L203-V237 HydrophobicContact CD2-CG1 3.84Å; L203-V237 HydrophobicContact CD2-CG2 3.65Å; A233-V237 WeakPolarHBondContact O-CB 3.38Å; A233-V237 WeakPolarHBondContact O-CG2 3.43Å; A233-V237 PolarHBondContact O-N 3.1Å; V234-V237 PolarHBondContact O-N 2.9Å; R235-V237 PolarHBondContact O-N 2.89Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.79Å; V237-K240 PolarHBondContact O-N 2.95Å; V237-L241 VanDerWaalsContact O-CB 3.24Å; V237-L241 WeakPolarHBondContact O-CB 3.47Å; V237-L241 PolarHBondContact O-N 3.25Å; V237-L241 VanDerWaalsContact O-N 3.12Å
238A85.7Confident84.5Confident35 Ų3551.1 Ų51.129%0.28926%0.257SS..Hα-helixtrans-59.3-44.7176.400000111.7V29 V234 R235V29-A238 HydrophobicContact CG2-CB 4.22Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 2.9Å; R235-A238 PolarHBondContact O-N 2.95Å
239A87.4Confident84.1Confident68 Ų6851.2 Ų51.256%0.56226%0.257SS*.Hα-helixtrans-71.2-39.2-179.400000113.9R235 T236 V237R235-A239 WeakPolarHBondContact O-CB 3.36Å; R235-A239 PolarHBondContact O-N 2.9Å; T236-A239 PolarHBondContact O-N 2.81Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.79Å
240K86.3Confident84Confident93 Ų9353 Ų5340%0.40427%0.266SS..Hα-helixtrans-89.6-10.2-172.9-68.6-175.2-175.5172.50114.3I80 R81 T236 V237 R242I80-K240 HydrophobicContact CG1-CB 4.43Å; I80-K240 HydrophobicContact CG2-CB 3.65Å; I80-K240 HydrophobicContact CG2-CD 3.8Å; I80-K240 HydrophobicContact CG2-CG 4.33Å; R81-K240 PolarHBondContact O-NZ 3.26Å; T236-K240 HydrophobicContact CG2-CD 3.65Å; T236-K240 HydrophobicContact CG2-CG 4.2Å; T236-K240 WeakPolarHBondContact O-CB 3.44Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.8Å; V237-K240 PolarHBondContact O-N 2.95Å; K240-R242 PolarHBondContact O-N 3.15Å
241L83.3Confident84Confident13 Ų1353 Ų537%0.06827%0.266CS..  trans-71.9111.5-179.4-170.159.3000109.7L70 I80 V205 V237 M243 I247L70-L241 HydrophobicContact CD2-CD2 4.12Å; I80-L241 HydrophobicContact CD1-CB 4.42Å; I80-L241 HydrophobicContact CD1-CD1 4.07Å; V205-L241 HydrophobicContact CG2-CD1 4.41Å; V237-L241 VanDerWaalsContact O-CB 3.24Å; V237-L241 WeakPolarHBondContact O-CB 3.47Å; V237-L241 PolarHBondContact O-N 3.25Å; V237-L241 VanDerWaalsContact O-N 3.12Å; L241-M243 HydrophobicContact CD1-CE 4Å; L241-M243 HydrophobicContact CD2-CE 3.98Å; L241-M243 HydrophobicContact CG-CE 4Å; L241-M243 PolarHBondContact O-N 2.79Å; L241-I247 HydrophobicContact CD2-CB 3.93Å; L241-I247 HydrophobicContact CD2-CD1 3.74Å; L241-I247 HydrophobicContact CD2-CG1 4.31Å; L241-I247 HydrophobicContact CD2-CG2 3.96Å; L241-I247 HydrophobicContact CG-CD1 4.1Å
242R76.3Confident84Confident211 Ų21153.6 Ų53.680%0.79627%0.268SS*.  trans-79.961.1-175.6-54.6177176.9-173.2-4.2111.4K240K240-R242 PolarHBondContact O-N 3.15Å
243M74.4Confident84.1Confident41 Ų4152.7 Ų52.720%0.20226%0.261CS..SBendtrans-139.2151.7174.4-72-162.5-74.300109.4L70 P74 L241 I247L70-M243 HydrophobicContact CD1-CE 4.17Å; P74-M243 HydrophobicContact CB-CE 4.05Å; P74-M243 HydrophobicContact CB-CG 4.48Å; P74-M243 HydrophobicContact CB-SD 3.79Å; P74-M243 HydrophobicContact CG-CE 4.47Å; L241-M243 HydrophobicContact CD1-CE 4Å; L241-M243 HydrophobicContact CD2-CE 3.98Å; L241-M243 HydrophobicContact CG-CE 4Å; L241-M243 PolarHBondContact O-N 2.79Å; M243-I247 HydrophobicContact CB-CD1 3.44Å; M243-I247 VanDerWaalsContact CB-CD1 3.44Å; M243-I247 HydrophobicContact CB-CG1 3.78Å; M243-I247 HydrophobicContact CE-CB 4.31Å; M243-I247 HydrophobicContact CE-CD1 4.44Å; M243-I247 HydrophobicContact CE-CG1 4.11Å; M243-I247 HydrophobicContact CE-CG2 3.4Å
244K65.6Low84.1Confident204 Ų20456.4 Ų56.489%0.88728%0.277SS*.SBendtrans-85.9128.5-177.1-59.3-173.7177.5-168.60110.2
245G67.9Low84Confident44 Ų4456.3 Ų56.345%0.45428%0.277SS..SBendtrans91.9-177.2171.500000115.6I247G245-I247 WeakPolarHBondContact O-CD1 3.39Å; G245-I247 VanDerWaalsContact O-CG1 3.32Å; G245-I247 WeakPolarHBondContact O-CG1 3.47Å; G245-I247 PolarHBondContact O-N 2.85Å
246S67.9Low83.8Confident24 Ų2455.2 Ų55.217%0.16828%0.282CS..  trans-68.398.7175.8166.80000111.4R270S246-R270 VanDerWaalsContact OG-CD 3.24Å; S246-R270 WeakPolarHBondContact OG-CD 3.31Å; S246-R270 PolarHBondContact OG-NH1 3.49Å
247I78.9Confident83.5Confident17 Ų1756.8 Ų56.89%0.08729%0.292CS..  trans-90.1-33.8-177.1-56119.4000112.5L70 W71 L241 M243 G245 K249L70-I247 WeakPolarHBondContact CA-O 3.44Å; L70-I247 HydrophobicContact CB-CG2 3.85Å; L70-I247 HydrophobicContact CD1-CG2 4.32Å; L70-I247 HydrophobicContact CD2-CG2 3.81Å; L70-I247 HydrophobicContact CG-CG2 4.18Å; W71-I247 PolarHBondContact N-O 2.87Å; L241-I247 HydrophobicContact CD2-CB 3.93Å; L241-I247 HydrophobicContact CD2-CD1 3.74Å; L241-I247 HydrophobicContact CD2-CG1 4.31Å; L241-I247 HydrophobicContact CD2-CG2 3.96Å; L241-I247 HydrophobicContact CG-CD1 4.1Å; M243-I247 HydrophobicContact CB-CD1 3.44Å; M243-I247 VanDerWaalsContact CB-CD1 3.44Å; M243-I247 HydrophobicContact CB-CG1 3.78Å; M243-I247 HydrophobicContact CE-CB 4.31Å; M243-I247 HydrophobicContact CE-CD1 4.44Å; M243-I247 HydrophobicContact CE-CG1 4.11Å; M243-I247 HydrophobicContact CE-CG2 3.4Å; G245-I247 WeakPolarHBondContact O-CD1 3.39Å; G245-I247 VanDerWaalsContact O-CG1 3.32Å; G245-I247 WeakPolarHBondContact O-CG1 3.47Å; G245-I247 PolarHBondContact O-N 2.85Å; I247-K249 PolarHBondContact O-N 3.45Å
248V85.4Confident83.4Confident8 Ų857 Ų575%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-71.2120.6-172.5-174.30000109.5L70 I251 Y264 S266L70-V248 HydrophobicContact CD2-CG2 4.24Å; V248-I251 HydrophobicContact CG1-CD1 3.93Å; V248-I251 HydrophobicContact CG1-CG1 3.53Å; V248-Y264 HydrophobicContact CG1-CD1 4.29Å; V248-Y264 HydrophobicContact CG1-CE1 4.4Å; V248-S266 WeakPolarHBondContact O-CB 3.26Å
249K86.1Confident83.5Confident81 Ų8160.9 Ų60.935%0.35231%0.313SS..EExtended strand (participates in β ladder)trans-87.2-49.3176.6176.5174.8-179.5-1800111.2T69 W71 I247 S266T69-K249 HydrophobicContact CG2-CB 4.44Å; T69-K249 HydrophobicContact CG2-CD 4.33Å; T69-K249 WeakPolarHBondContact O-CA 3.5Å; T69-K249 WeakPolarHBondContact O-CB 3.39Å; T69-K249 PolarHBondContact O-N 2.85Å; W71-K249 HydrophobicContact CD2-CB 3.96Å; W71-K249 HydrophobicContact CD2-CD 3.97Å; W71-K249 HydrophobicContact CD2-CG 4.03Å; W71-K249 HydrophobicContact CE3-CD 3.93Å; W71-K249 HydrophobicContact CE3-CG 4.47Å; W71-K249 HydrophobicContact CG-CB 3.98Å; W71-K249 HydrophobicContact CH2-CD 3.69Å; W71-K249 VanDerWaalsContact CH2-CE 3.46Å; W71-K249 HydrophobicContact CH2-CG 4Å; W71-K249 HydrophobicContact CZ2-CB 4.23Å; W71-K249 HydrophobicContact CZ2-CD 3.79Å; W71-K249 HydrophobicContact CZ2-CG 3.55Å; W71-K249 HydrophobicContact CZ3-CD 3.79Å; W71-K249 HydrophobicContact CZ3-CG 4.46Å; I247-K249 PolarHBondContact O-N 3.45Å; K249-S266 WeakPolarHBondContact CA-OG 2.99Å; K249-S266 PolarHBondContact O-N 3.29Å; K249-S266 PolarHBondContact O-OG 2.8Å
250L90.1Very high83.7Confident37 Ų3759.1 Ų59.119%0.19430%0.299CS..EExtended strand (participates in β ladder)trans-152.5134.7-167.7-16865.2000109.2T69 H252 Y264 T265T69-L250 PolarHBondContact N-O 3.22Å; T69-L250 PolarHBondContact O-N 3.01Å; L250-H252 VanDerWaalsContact CD2-CE1 3.47Å; L250-H252 WeakPolarHBondContact CD2-CE1 3.44Å; L250-H252 WeakPolarHBondContact CD2-NE2 3.4Å; L250-H252 VanDerWaalsContact CG-CD2 3.46Å; L250-H252 WeakPolarHBondContact CG-CD2 3.49Å; L250-H252 WeakPolarHBondContact CG-NE2 3.41Å; L250-Y264 CarbonylContact C-O 3.49Å; L250-Y264 VanDerWaalsContact CA-O 3.29Å; L250-Y264 WeakPolarHBondContact CA-O 3.44Å; L250-Y264 WeakPolarHBondContact CD1-O 3.18Å; L250-T265 HydrophobicContact CD1-CG2 3.33Å
251I92.5Very high84Confident0 Ų057 Ų570%029%0.292CS..EExtended strand (participates in β ladder)trans-119.3119.5173.2-52.6174.7000107.5L31 L66 L67 F68 V234 V248 I263 Y264L31-I251 HydrophobicContact CD2-CD1 4.36Å; L66-I251 HydrophobicContact CD2-CG2 4.15Å; L67-I251 WeakPolarHBondContact O-CA 3.3Å; F68-I251 HydrophobicContact CD1-CD1 4.34Å; F68-I251 HydrophobicContact CD1-CG1 4.07Å; F68-I251 HydrophobicContact CD1-CG2 4.46Å; F68-I251 HydrophobicContact CE1-CD1 4.14Å; F68-I251 HydrophobicContact CE1-CG1 4.29Å; F68-I251 HydrophobicContact CE1-CG2 4.29Å; V234-I251 HydrophobicContact CB-CD1 4.46Å; V234-I251 HydrophobicContact CG1-CD1 3.73Å; V234-I251 HydrophobicContact CG2-CD1 3.8Å; V248-I251 HydrophobicContact CG1-CD1 3.93Å; V248-I251 HydrophobicContact CG1-CG1 3.53Å; I251-I263 PolarHBondContact O-N 3.18Å; I251-Y264 HydrophobicContact CD1-CD1 4.07Å; I251-Y264 HydrophobicContact CD1-CG 4.25Å; I251-Y264 HydrophobicContact CG1-CD1 4.06Å; I251-Y264 HydrophobicContact CG1-CG 4.47Å; I251-Y264 PolarHBondContact N-O 2.95Å; I251-Y264 PolarHBondContact O-N 3.09Å
252H93.5Very high84.4Confident36 Ų3659.4 Ų59.417%0.16731%0.308CS..EExtended strand (participates in β ladder)trans-111145.4174.4-64.4179.2000111.3L66 L67 L250 A260 L261L66-H252 CarbonylContact C-O 3.55Å; L66-H252 WeakPolarHBondContact CA-O 3.44Å; L67-H252 HydrophobicContact CB-CB 4.2Å; L67-H252 PolarHBondContact N-O 3.18Å; L67-H252 PolarHBondContact O-N 2.89Å; L250-H252 VanDerWaalsContact CD2-CE1 3.47Å; L250-H252 WeakPolarHBondContact CD2-CE1 3.44Å; L250-H252 WeakPolarHBondContact CD2-NE2 3.4Å; L250-H252 VanDerWaalsContact CG-CD2 3.46Å; L250-H252 WeakPolarHBondContact CG-CD2 3.49Å; L250-H252 WeakPolarHBondContact CG-NE2 3.41Å; H252-A260 HydrophobicContact CB-CB 3.97Å; H252-L261 CarbonylContact C-O 3.6Å; H252-L261 VanDerWaalsContact CA-O 3.26Å; H252-L261 WeakPolarHBondContact CA-O 3.47Å
253L93.4Very high85.1Confident1 Ų149.5 Ų49.51%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-98.4128.2167.4-167.970.9000109.3A39 V40 L43 I64 L66 V230 A260 L261 I263A39-L253 HydrophobicContact CB-CD2 4.45Å; V40-L253 HydrophobicContact CB-CD2 4.47Å; V40-L253 HydrophobicContact CG2-CD2 3.73Å; L43-L253 HydrophobicContact CD2-CD2 3.82Å; L43-L253 HydrophobicContact CD2-CG 3.84Å; I64-L253 HydrophobicContact CG2-CD1 3.56Å; I64-L253 HydrophobicContact CG2-CG 4.06Å; L66-L253 HydrophobicContact CD2-CB 4.4Å; L66-L253 HydrophobicContact CD2-CD1 3.5Å; L66-L253 VanDerWaalsContact CD2-CD1 3.5Å; L66-L253 HydrophobicContact CG-CD1 4.34Å; V230-L253 HydrophobicContact CG2-CD1 4.3Å; L253-A260 CarbonylContact O-C 3.6Å; L253-A260 WeakPolarHBondContact O-CA 3.37Å; L253-L261 PolarHBondContact N-O 3.18Å; L253-L261 PolarHBondContact O-N 3.44Å; L253-I263 HydrophobicContact CB-CD1 3.66Å; L253-I263 HydrophobicContact CB-CG1 4.19Å; L253-I263 HydrophobicContact CD1-CD1 4.32Å; L253-I263 HydrophobicContact CD2-CD1 4.32Å; L253-I263 HydrophobicContact CG-CD1 4.32Å
254K92.4Very high85.8Confident78 Ų7848.4 Ų48.434%0.33927%0.265SS..EExtended strand (participates in β ladder)trans-149141.4-177.2173.2167.4177.6173.80111.3S65 S258 A260S65-K254 CarbonylContact C-O 3.44Å; S65-K254 WeakPolarHBondContact CA-O 3.36Å; S65-K254 PolarHBondContact N-O 3.32Å; S65-K254 PolarHBondContact O-N 2.92Å; K254-S258 VanDerWaalsContact CE-O 3.3Å; K254-S258 WeakPolarHBondContact CE-O 3.24Å; K254-A260 HydrophobicContact CB-CB 4.21Å; K254-A260 HydrophobicContact CD-CB 4.27Å
255S88.9Confident86.8Confident2 Ų243 Ų431%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-97.9171.2162.6179.60000110.5P63 T257 S258P63-S255 PolarHBondContact O-OG 3.2Å; S255-T257 PolarHBondContact O-N 2.89Å; S255-S258 PolarHBondContact N-OG 3.35Å; S255-S258 PolarHBondContact O-N 2.99Å
256L85Confident87.4Confident140 Ų14041.4 Ų41.473%0.73323%0.231SC*.SBendtrans-52.4-41.7-179.4-176.861.2000112.4
257T84.4Confident87.5Confident57 Ų5745.7 Ų45.735%0.3525%0.252SS..SBendtrans-108-1.5-174.274.30000114.9K50 S255K50-T257 PolarHBondContact NZ-OG1 3.33Å; K50-T257 VanDerWaalsContact NZ-OG1 3.17Å; S255-T257 PolarHBondContact O-N 2.89Å
258S86.7Confident86.7Confident8 Ų851.1 Ų51.16%0.05628%0.28CS..SBendtrans-92.6164.7-175.882.10000113L43 K254 S255L43-S258 WeakPolarHBondContact CD1-OG 3.27Å; K254-S258 VanDerWaalsContact CE-O 3.3Å; K254-S258 WeakPolarHBondContact CE-O 3.24Å; S255-S258 PolarHBondContact N-OG 3.35Å; S255-S258 PolarHBondContact O-N 2.99Å
259V88.2Confident85.2Confident115 Ų11554.5 Ų54.570%0.69731%0.305SS*.  trans-69.4152.9164.5-174.40000109.4
260A91.6Very high83.7Confident31 Ų3154 Ų5426%0.25630%0.3SS..  trans-85.4115.8178.200000110.6H252 L253 K254H252-A260 HydrophobicContact CB-CB 3.97Å; L253-A260 CarbonylContact O-C 3.6Å; L253-A260 WeakPolarHBondContact O-CA 3.37Å; K254-A260 HydrophobicContact CB-CB 4.21Å; K254-A260 HydrophobicContact CD-CB 4.27Å
261L92.6Very high82.2Confident49 Ų4954.4 Ų54.426%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-92.3122-179.8-60.4177.4000110.3A39 A42 L43 H252 L253 I263A39-L261 HydrophobicContact CB-CB 4.27Å; A39-L261 HydrophobicContact CB-CD1 4.18Å; A39-L261 VanDerWaalsContact O-CD1 3.24Å; A39-L261 WeakPolarHBondContact O-CD1 3.36Å; A42-L261 HydrophobicContact CB-CD1 4.26Å; L43-L261 HydrophobicContact CB-CD1 4.22Å; H252-L261 CarbonylContact C-O 3.6Å; H252-L261 VanDerWaalsContact CA-O 3.26Å; H252-L261 WeakPolarHBondContact CA-O 3.47Å; L253-L261 PolarHBondContact N-O 3.18Å; L253-L261 PolarHBondContact O-N 3.44Å; L261-I263 PolarHBondContact O-N 3.5Å
262P91.6Very high80.2Confident63 Ų6357.3 Ų57.341%0.40932%0.323SS..EExtended strand (participates in β ladder)trans-73.2122.2178.429.1-33000111.4Q35Q35-P262 PolarHBondContact NE2-O 3.18Å; Q35-P262 VanDerWaalsContact NE2-O 3.16Å
263I91Very high78.4Confident3 Ų360.4 Ų60.42%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-96.2-37.8174.4-68.3179000110.7L31 Q35 V36 A39 L66 V230 I251 L253 L261L31-I263 HydrophobicContact CD2-CG2 4.21Å; Q35-I263 PolarHBondContact NE2-O 2.98Å; Q35-I263 PolarHBondContact OE1-O 3.02Å; V36-I263 HydrophobicContact CB-CG2 4.49Å; V36-I263 HydrophobicContact CG1-CD1 4.32Å; V36-I263 HydrophobicContact CG2-CG2 3.49Å; V36-I263 VanDerWaalsContact CG2-CG2 3.49Å; A39-I263 HydrophobicContact CB-CG1 4.23Å; L66-I263 HydrophobicContact CD2-CD1 4.13Å; V230-I263 HydrophobicContact CG1-CD1 4.19Å; I251-I263 PolarHBondContact O-N 3.18Å; L253-I263 HydrophobicContact CB-CD1 3.66Å; L253-I263 HydrophobicContact CB-CG1 4.19Å; L253-I263 HydrophobicContact CD1-CD1 4.32Å; L253-I263 HydrophobicContact CD2-CD1 4.32Å; L253-I263 HydrophobicContact CG-CD1 4.32Å; L261-I263 PolarHBondContact O-N 3.5Å
264Y89.1Confident76.6Confident18 Ų1862.2 Ų62.27%0.07135%0.353CS..EExtended strand (participates in β ladder)trans-141.6128.2-175.1174-99.4000110.5V29 P30 L31 V248 L250 I251 R270V29-Y264 HydrophobicContact CG1-CD1 3.89Å; V29-Y264 HydrophobicContact CG1-CD2 3.7Å; V29-Y264 HydrophobicContact CG1-CE1 3.72Å; V29-Y264 HydrophobicContact CG1-CE2 3.55Å; V29-Y264 HydrophobicContact CG1-CG 3.87Å; P30-Y264 HydrophobicContact CG-CE2 4.43Å; P30-Y264 WeakPolarHBondContact O-CD2 3.34Å; L31-Y264 HydrophobicContact CD2-CD2 4.18Å; L31-Y264 HydrophobicContact CD2-CG 4.17Å; V248-Y264 HydrophobicContact CG1-CD1 4.29Å; V248-Y264 HydrophobicContact CG1-CE1 4.4Å; L250-Y264 CarbonylContact C-O 3.49Å; L250-Y264 VanDerWaalsContact CA-O 3.29Å; L250-Y264 WeakPolarHBondContact CA-O 3.44Å; L250-Y264 WeakPolarHBondContact CD1-O 3.18Å; I251-Y264 HydrophobicContact CD1-CD1 4.07Å; I251-Y264 HydrophobicContact CD1-CG 4.25Å; I251-Y264 HydrophobicContact CG1-CD1 4.06Å; I251-Y264 HydrophobicContact CG1-CG 4.47Å; I251-Y264 PolarHBondContact N-O 2.95Å; I251-Y264 PolarHBondContact O-N 3.09Å; Y264-R270 PolarHBondContact OH-NH1 2.9Å
265T86.6Confident74.8Confident91 Ų9163.7 Ų63.756%0.55836%0.362SS*.EExtended strand (participates in β ladder)trans-119.3123.9171.448.90000108.4L250L250-T265 HydrophobicContact CD1-CG2 3.33Å
266S79.6Confident73Confident11 Ų1172.9 Ų72.98%0.07740%0.396CS..  trans-78.3138.7172.870.10000110.8W71 V248 K249W71-S266 PolarHBondContact NE1-OG 3.17Å; V248-S266 WeakPolarHBondContact O-CB 3.26Å; K249-S266 WeakPolarHBondContact CA-OG 2.99Å; K249-S266 PolarHBondContact O-N 3.29Å; K249-S266 PolarHBondContact O-OG 2.8Å
267D69.6Low71.5Confident113 Ų11369.4 Ų69.460%0.60438%0.383SS*.  trans-60.2137.3174.9-64.8-34000112.4S269 R270D267-S269 WeakPolarHBondContact CB-OG 3.43Å; D267-S269 PolarHBondContact O-N 2.88Å; D267-R270 PolarHBondContact O-N 3.46Å
268L62Low70.1Confident131 Ų13172.3 Ų72.369%0.68639%0.391SS*.THydrogen-bonded Turntrans-59.6-18.3179.4-60.4173.8000112.7W71 R270 I271W71-L268 HydrophobicContact CH2-CD2 4.23Å; L268-R270 PolarHBondContact O-N 3.4Å; L268-I271 HydrophobicContact CB-CD1 3.93Å; L268-I271 HydrophobicContact CD2-CD1 3.59Å; L268-I271 HydrophobicContact CG-CD1 4.36Å; L268-I271 WeakPolarHBondContact O-CB 3.47Å; L268-I271 WeakPolarHBondContact O-CD1 3.46Å; L268-I271 WeakPolarHBondContact O-CG1 3.12Å; L268-I271 PolarHBondContact O-N 3.46Å
269S55Low68.4Low80 Ų8076 Ų7656%0.55941%0.41SS*.Hα-helixtrans-59.5-22.117356.90000113.3D267 I271 S272D267-S269 WeakPolarHBondContact CB-OG 3.43Å; D267-S269 PolarHBondContact O-N 2.88Å; S269-I271 VanDerWaalsContact C-N 3.29Å; S269-I271 PolarHBondContact O-N 3.33Å; S269-S272 PolarHBondContact O-OG 3.3Å
270R54.9Low66.5Low69 Ų6975.7 Ų75.726%0.2641%0.405SS..Hα-helixtrans-75.1-16.5174.5-63.9-174.8177.8173.94.4113.5S246 Y264 D267 L268 L274S246-R270 VanDerWaalsContact OG-CD 3.24Å; S246-R270 WeakPolarHBondContact OG-CD 3.31Å; S246-R270 PolarHBondContact OG-NH1 3.49Å; Y264-R270 PolarHBondContact OH-NH1 2.9Å; D267-R270 PolarHBondContact O-N 3.46Å; L268-R270 PolarHBondContact O-N 3.4Å; R270-L274 WeakPolarHBondContact O-CG 3.47Å; R270-L274 PolarHBondContact O-N 2.93Å
271I57.3Low64.6Low46 Ų4677.5 Ų77.524%0.23642%0.415CS..Hα-helixtrans-67.5-41.2177.8-57.1169.7000110.7W71 L268 S269 V273 L274 Q275W71-I271 HydrophobicContact CD2-CG1 4.46Å; W71-I271 HydrophobicContact CE3-CG1 4.15Å; W71-I271 HydrophobicContact CH2-CD1 3.24Å; W71-I271 HydrophobicContact CH2-CG1 3.35Å; W71-I271 HydrophobicContact CZ2-CD1 3.92Å; W71-I271 HydrophobicContact CZ2-CG1 3.65Å; W71-I271 HydrophobicContact CZ3-CD1 3.67Å; W71-I271 HydrophobicContact CZ3-CG1 3.6Å; L268-I271 HydrophobicContact CB-CD1 3.93Å; L268-I271 HydrophobicContact CD2-CD1 3.59Å; L268-I271 HydrophobicContact CG-CD1 4.36Å; L268-I271 WeakPolarHBondContact O-CB 3.47Å; L268-I271 WeakPolarHBondContact O-CD1 3.46Å; L268-I271 WeakPolarHBondContact O-CG1 3.12Å; L268-I271 PolarHBondContact O-N 3.46Å; S269-I271 VanDerWaalsContact C-N 3.29Å; S269-I271 PolarHBondContact O-N 3.33Å; I271-V273 VanDerWaalsContact C-N 3.32Å; I271-V273 PolarHBondContact O-N 3.2Å; I271-L274 CarbonylContact O-C 3.58Å; I271-L274 PolarHBondContact O-N 3.36Å; I271-Q275 PolarHBondContact O-N 2.91Å
272S50.2Low62.5Low62 Ų6281.7 Ų81.743%0.43443%0.432SS..Hα-helixtrans-66-35.6-178.964.10000111.9S269 Q275 R276S269-S272 PolarHBondContact O-OG 3.3Å; S272-Q275 PolarHBondContact O-N 2.95Å; S272-R276 PolarHBondContact O-N 3.45Å
273V56.4Low60.1Low100 Ų10082.4 Ų82.461%0.60644%0.435SS*.Hα-helixtrans-66.6-39.1173.6-1770000111.4I271 S277I271-V273 VanDerWaalsContact C-N 3.32Å; I271-V273 PolarHBondContact O-N 3.2Å; V273-S277 PolarHBondContact O-N 3.15Å; V273-S277 PolarHBondContact O-OG 2.97Å
274L54.7Low57.9Low39 Ų3990.3 Ų90.320%0.20447%0.469CS..Hα-helixtrans-71.4-28.6174.6-70.3173.9000113.2W71 R270 I271 S277W71-L274 HydrophobicContact CB-CD1 3.62Å; W71-L274 HydrophobicContact CG-CD1 3.82Å; R270-L274 WeakPolarHBondContact O-CG 3.47Å; R270-L274 PolarHBondContact O-N 2.93Å; I271-L274 CarbonylContact O-C 3.58Å; I271-L274 PolarHBondContact O-N 3.36Å; L274-S277 WeakPolarHBondContact CA-OG 3.21Å; L274-S277 PolarHBondContact O-OG 2.99Å
275Q54.7Low55.7Low110 Ų11097.2 Ų97.251%0.51450%0.5SS..Hα-helixtrans-73.5-46.7172.5-77174-37.400111.5I271 S272 S277 K278 D279I271-Q275 PolarHBondContact O-N 2.91Å; S272-Q275 PolarHBondContact O-N 2.95Å; Q275-S277 VanDerWaalsContact C-N 3.28Å; Q275-S277 PolarHBondContact O-N 2.89Å; Q275-K278 WeakPolarHBondContact O-CB 3.42Å; Q275-K278 PolarHBondContact O-N 3.41Å; Q275-D279 PolarHBondContact O-N 3.21Å; Q275-D279 VanDerWaalsContact O-N 3.09Å
276R51.5Low53.8Low194 Ų19496.9 Ų96.973%0.73250%0.497SS*.Hα-helixtrans-57.9-36.7176.3-90.2178.5172.3173.2-2113.5S272 K278 D279 N280S272-R276 PolarHBondContact O-N 3.45Å; R276-K278 VanDerWaalsContact C-N 3.34Å; R276-K278 PolarHBondContact O-N 3.17Å; R276-D279 PolarHBondContact O-N 3.26Å; R276-N280 WeakPolarHBondContact O-CB 3.2Å; R276-N280 PolarHBondContact O-N 3.28Å
277S53.7Low52Low67 Ų67104.1 Ų104.147%0.46953%0.527SS..Hα-helixtrans-70.1-26.9175.655.40000113.7V273 L274 Q275 S281V273-S277 PolarHBondContact O-N 3.15Å; V273-S277 PolarHBondContact O-OG 2.97Å; L274-S277 WeakPolarHBondContact CA-OG 3.21Å; L274-S277 PolarHBondContact O-OG 2.99Å; Q275-S277 VanDerWaalsContact C-N 3.28Å; Q275-S277 PolarHBondContact O-N 2.89Å; S277-S281 PolarHBondContact O-N 2.98Å
278K55.5Low50.4Low118 Ų118107.1 Ų107.151%0.51354%0.535SS..Hα-helixtrans-71.7-41.6170.3-73.3176.3-178.7172.50111Q275 R276 S281 K282Q275-K278 WeakPolarHBondContact O-CB 3.42Å; Q275-K278 PolarHBondContact O-N 3.41Å; R276-K278 VanDerWaalsContact C-N 3.34Å; R276-K278 PolarHBondContact O-N 3.17Å; K278-S281 PolarHBondContact O-N 3.47Å; K278-S281 PolarHBondContact O-OG 3.16Å; K278-K282 PolarHBondContact O-N 3.38Å
279D50.4Low49.4Very low85 Ų85107.7 Ų107.746%0.45554%0.539SS..Hα-helixtrans-71.3-39-177.9-66.9-25.8000112.3Q275 R276 S281 K282 T283Q275-D279 PolarHBondContact O-N 3.21Å; Q275-D279 VanDerWaalsContact O-N 3.09Å; R276-D279 PolarHBondContact O-N 3.26Å; D279-S281 PolarHBondContact O-N 3.36Å; D279-K282 WeakPolarHBondContact O-CB 3.42Å; D279-K282 PolarHBondContact O-N 3.05Å; D279-T283 PolarHBondContact O-N 2.82Å; D279-T283 PolarHBondContact O-OG1 2.86Å
280N49.3Very low48.8Very low109 Ų109111.3 Ų111.358%0.58355%0.547SS*.Hα-helixtrans-61.6-25.6171.5-77.3-8.8000113.7R276 T283 K284R276-N280 WeakPolarHBondContact O-CB 3.2Å; R276-N280 PolarHBondContact O-N 3.28Å; N280-T283 WeakPolarHBondContact CA-OG1 3.3Å; N280-T283 PolarHBondContact O-OG1 3.38Å; N280-K284 PolarHBondContact O-N 3.17Å
281S51.1Low47.9Very low69 Ų69112.5 Ų112.548%0.48357%0.571SS.*Hα-helixtrans-81.5-24.1174.677.90000113.2S277 K278 D279S277-S281 PolarHBondContact O-N 2.98Å; K278-S281 PolarHBondContact O-N 3.47Å; K278-S281 PolarHBondContact O-OG 3.16Å; D279-S281 PolarHBondContact O-N 3.36Å
282K48.4Very low46.9Very low137 Ų137113.7 Ų113.760%0.59660%0.595SS**Hα-helixtrans-78.6-43172.5-70.8176.9179.9174.60110.9K278 D279 K284 K285 V286K278-K282 PolarHBondContact O-N 3.38Å; D279-K282 WeakPolarHBondContact O-CB 3.42Å; D279-K282 PolarHBondContact O-N 3.05Å; K282-K284 VanDerWaalsContact C-N 3.3Å; K282-K284 PolarHBondContact O-N 3.33Å; K282-K285 PolarHBondContact O-N 3.3Å; K282-V286 PolarHBondContact O-N 3.05Å; K282-V286 VanDerWaalsContact O-N 3.1Å
283T41.9Very low46.1Very low78 Ų78117.1 Ų117.148%0.47961%0.609SS.*Hα-helixtrans-63.8-31175.126.20000113.2D279 N280 V286 K287D279-T283 PolarHBondContact O-N 2.82Å; D279-T283 PolarHBondContact O-OG1 2.86Å; N280-T283 WeakPolarHBondContact CA-OG1 3.3Å; N280-T283 PolarHBondContact O-OG1 3.38Å; T283-V286 PolarHBondContact O-N 3.3Å; T283-K287 PolarHBondContact O-N 2.74Å; T283-K287 VanDerWaalsContact O-N 3.1Å
284K44Very low45Very low169 Ų169121.6 Ų121.674%0.73562%0.623SS**Hα-helixtrans-71.2-23.2170.9-82.5-172.9177.1-176.50114.5N280 K282N280-K284 PolarHBondContact O-N 3.17Å; K282-K284 VanDerWaalsContact C-N 3.3Å; K282-K284 PolarHBondContact O-N 3.33Å
285K42.4Very low44.2Very low163 Ų163125.8 Ų125.871%0.70965%0.65SS**Hα-helixtrans-80.5-32.8172.3-84-169.8172.9-168.90112.2K282K282-K285 PolarHBondContact O-N 3.3Å
286V47.8Very low43.2Very low84 Ų84127 Ų12751%0.50967%0.666SS.*Hα-helixtrans-68.4-44.7174.5-1800000110.6K282 T283 K288 N289K282-V286 PolarHBondContact O-N 3.05Å; K282-V286 VanDerWaalsContact O-N 3.1Å; T283-V286 PolarHBondContact O-N 3.3Å; V286-K288 PolarHBondContact O-N 2.97Å; V286-K288 VanDerWaalsContact O-N 3.12Å; V286-N289 PolarHBondContact O-N 3.04Å; V286-N289 VanDerWaalsContact O-N 3.11Å
287K41.3Very low42.2Very low163 Ų163127.5 Ų127.571%0.70967%0.673SS**Hα-helixtrans-66.4-13.3177.8-74.1-170.6175-171.20115.9T283T283-K287 PolarHBondContact O-N 2.74Å; T283-K287 VanDerWaalsContact O-N 3.1Å
288K36.7Very low41.2Very low177 Ų177132.9 Ų132.977%0.7769%0.691SS**Hα-helixtrans-92.3-14.6175.7-151.9-179.7-179-1760112.9V286V286-K288 PolarHBondContact O-N 2.97Å; V286-K288 VanDerWaalsContact O-N 3.12Å
289N40.6Very low40.2Very low142 Ų142136.4 Ų136.476%0.75971%0.709SS**Hα-helixtrans-93.5-8177.2-73.75.6000113V286V286-N289 PolarHBondContact O-N 3.04Å; V286-N289 VanDerWaalsContact O-N 3.11Å
290E41.9Very low39.4Very low156 Ų156142.8 Ų142.873%0.72973%0.733SS**SBendtrans-100.61.1-179-71.6179.7162.200114.2
291A36.9Very low38.6Very low94 Ų94147.2 Ų147.278%0.77775%0.747SS**SBendtrans-119.831.5-175.200000114
292G34.8Very low37.8Very low72 Ų72153.8 Ų153.874%0.74277%0.767SS**SBendtrans-162.941.5-176.700000116.2
293D33.8Very low37.1Very low134 Ų134156.5 Ų156.572%0.71778%0.781SS**  trans-142.465.3171-163.220.7000112.2
294E34.4Very low36.6Very low194 Ų194158.1 Ų158.191%0.90780%0.796SS**SBendtrans-13310.7168-85.4-15315500115.6
295T37.6Very low36.2Very low126 Ų126159 Ų15977%0.77381%0.805SS**SBendtrans-140.882.217455.20000112.3
296T33.5Very low35.6Very low137 Ų137155.5 Ų155.584%0.8481%0.807SS**  trans175.658.2143.626.30000111.4
297K31Very low34.7Very low204 Ų204163.2 Ų163.289%0.88783%0.827SS**  trans-109.450.6164.8-90.3-175.8-177.8166.70111.2
298E32.5Very low34.1Very low180 Ų180161.4 Ų161.484%0.84183%0.829SS**SBendtrans-15655.7170-150.6168.9-167.800112.5
299Q34.1Very low33.6Very low192 Ų192157.2 Ų157.290%0.89783%0.828SS**SBendtrans-161.411.3164.8-112.5164.529.400117
300K33.5Very low33Very low218 Ų218159.3 Ų159.395%0.94883%0.832SS**SBendtrans-128.844.3175.5-85.1-173.2175.41780113.9
301K31.2Very low32.2Very low202 Ų202157.5 Ų157.588%0.87884%0.837SS**SBendtrans-131.931.2173.1-143.5179.8-176.4-176.40113.7
302K34.8Very low31.6Very low208 Ų208160 Ų16090%0.90484%0.838SS**SBendtrans-136.823.2176.8-80.6-169.1177179.30115.3
303Q34Very low31.1Very low193 Ų193164.7 Ų164.790%0.90284%0.842SS**SBendtrans-145.561.9171.2-82.1-174.6-15.500111.2
304S32.3Very low30.6Very low112 Ų112164.2 Ų164.278%0.78384%0.844SS**SBendtrans-165.333.5164.568.50000113.3
305M34.3Very low30.2Very low188 Ų188159.9 Ų159.993%0.92684%0.841SS**SBendtrans-150.975.5167.4-77.4-148-60.100110.1
306A31.3Very low29.5Very low90 Ų90161.2 Ų161.274%0.74484%0.844SS**  trans-171.6125.1153.900000107.4
307R27.5Very low29.2Very low245 Ų245163.3 Ų163.393%0.92584%0.844SS**SBendtrans88.8114.9-178.6-60177.5174.3175-2.3113.6
308V29.6Very low29.1Very low125 Ų125159.1 Ų159.176%0.75884%0.835SS**  cis-157.8128.57.3169.80000106.4
309A26.8Very low28.6Very low90 Ų90155.9 Ų155.974%0.74483%0.828SS**SBendtrans-97.1127.215300000107
310H26.5Very low28.2Very low185 Ų185154.7 Ų154.786%0.85682%0.822SS**  trans50114.9162.5-66.1-35.9000120.6
311S25.3Very low27.7Very low118 Ų118150.7 Ų150.783%0.82581%0.811SS**  -165.5140.8128570000112.1
312N23.8Very low27.5Very low148 Ų148149 Ų14979%0.79181%0.807SS**  trans-68.9155.6-176.5-80.3-22.8000115.6
313M25.2Very low27Very low169 Ų169146.4 Ų146.483%0.83380%0.802SS**  trans47.9149.6139-52.4-161.695.600119.6
314T23.2Very low26.5Very low125 Ų125141 Ų14177%0.76779%0.786SS**  cis-161.6154.724.535.50000108.5
315A26.1Very low26.1Very low102 Ų102144.8 Ų144.884%0.84379%0.788SS**  179.3125.3127.100000111.7
316D23.7Very low25.5Very low154 Ų154142.5 Ų142.582%0.82479%0.785SS**  trans-63.4154172.2-79.9-60.2000114.6
317E26.3Very low25.2Very low181 Ų181147.6 Ų147.685%0.84679%0.79SS**  -171.3113.2103.6-97.3-168.1159.900112.5
318V28.6Very low25Very low117 Ų117146.1 Ų146.171%0.70979%0.791SS**  trans32.1137.9132.8-108.70000120.3
319T23.5Very low24.7Very low111 Ų111145.9 Ų145.968%0.68179%0.789SS**  cis-154.8142.647.438.60000115.6
320E24.8Very low24.6Very low168 Ų168151.9 Ų151.979%0.78580%0.799SS**  trans51.7135.3137.1-60.2177.4169.600119.9
321N23.8Very low24.4Very low133 Ų133151.2 Ų151.271%0.71179%0.793SS**  cis-167.6156.926.8-141.6-8.9000112
322E25.9Very low24.3Very low168 Ų168150.9 Ų150.979%0.78578%0.782SS**  trans75.395.2154.8-54.1-157.414800123.9
323N23.8Very low24.4Very low152 Ų152152.2 Ų152.281%0.81378%0.784SS**  48.797.6117-98.7-5.1000123.1
324S24.4Very low24.4Very low80 Ų80149.3 Ų149.356%0.55979%0.786SS**  46.7125.310987.90000123.7
325K23.4Very low24.6Very low191 Ų191147.1 Ų147.183%0.8379%0.789SS**  trans74.7120.6133.2-66.9167.9-176.4172.80117.8
326T22.8Very low24.8Very low140 Ų140148.4 Ų148.486%0.85978%0.782SS**  -160.9139.971.419.40000113.8
327K23.7Very low25.4Very low197 Ų197149.9 Ų149.986%0.85778%0.784SS**  trans-63.1142.8165.8-78.8171.7170.6173.90111.6
328K22.8Very low25.9Very low214 Ų214146.6 Ų146.693%0.9378%0.776SS**  trans-147.2127.6131.4-126.5174.4-175.5175.20112
329V24.2Very low26.5Very low120 Ų120145.2 Ų145.273%0.72777%0.768SS**  trans-68.1143.3-178.8170.70000111.2
330K25.1Very low27.5Very low216 Ų216148.9 Ų148.994%0.93978%0.775SS**  trans-159.5153.8138.8-107.9172.4-173.8-174.50111.5
331K22.3Very low28.4Very low171 Ų171147.8 Ų147.874%0.74377%0.769SS**  trans-118.8153.6-152.3-165.1-150.5177.6176.40108.6
332N22.3Very low29.3Very low112 Ų112148.4 Ų148.460%0.59977%0.768SS**  trans71.5145.1164.6-67.410.2000115.6
333E25.9Very low30.1Very low176 Ų176148.5 Ų148.582%0.82277%0.766SS**  cis-166177.524-129.4154-129.400110.7
334A26.5Very low31Very low107 Ų107148.3 Ų148.388%0.88476%0.758SS**  trans-60.7154.3-173.700000117.9
335G25.7Very low31.9Very low80 Ų80151.3 Ų151.383%0.82576%0.761SS**  trans144.790.3151.600000115.9
336D31.9Very low32.7Very low128 Ų128148.9 Ų148.968%0.68475%0.752SS**  trans-157.180.5160.2-166.918.4000111.4T339D336-T339 PolarHBondContact OD1-OG1 3.06Å
337E36.7Very low33.4Very low186 Ų186151.2 Ų151.287%0.86975%0.745SS**SBendtrans-125.8-8.2164.5-83.2-167.215300113.2
338T36.5Very low34.6Very low112 Ų112146.3 Ų146.369%0.68773%0.729SS**SBendtrans-87.8-15-173.138.40000114.6
339T41.3Very low35.7Very low88 Ų88143 Ų14354%0.5472%0.716SS.*Hα-helixtrans-86.8-14.4-170.9-25.70000114.2D336D336-T339 PolarHBondContact OD1-OG1 3.06Å
340K43.5Very low36.7Very low188 Ų188144.8 Ų144.882%0.81772%0.717SS**Hα-helixtrans-89.5-22.5179.4-83.6178.7179.4168.70114.3
341E43.9Very low37.9Very low144 Ų144142.3 Ų142.367%0.67371%0.709SS**Hα-helixtrans-82.1-32-174.8-150.7167.4-160.300112.2K344 K345E341-K344 PolarHBondContact O-N 3.17Å; E341-K345 PolarHBondContact O-N 3.34Å
342Q43.2Very low39Very low146 Ų146142 Ų14268%0.68271%0.71SS**Hα-helixtrans-71.7-34.2177-71.7-178.6-17.900113.1K344 K345 Q346Q342-K344 PolarHBondContact O-N 3.32Å; Q342-K345 PolarHBondContact O-N 3.49Å; Q342-Q346 PolarHBondContact O-N 3.38Å
343K41.5Very low40.2Very low170 Ų170145.2 Ų145.274%0.73972%0.721SS**Hα-helixtrans-72-16.1177.5-117.3178.4-176.9175.90114.1
344K43.9Very low41.3Very low148 Ų148145.4 Ų145.464%0.64372%0.722SS**Hα-helixtrans-88.2-37.8177.4-159.7177.2179.1-1710111.6E341 Q342 R347 D348E341-K344 PolarHBondContact O-N 3.17Å; Q342-K344 PolarHBondContact O-N 3.32Å; K344-R347 PolarHBondContact O-N 3.36Å; K344-D348 PolarHBondContact O-N 3.43Å
345K43.8Very low42.5Very low144 Ų144147.2 Ų147.263%0.62672%0.716SS**Hα-helixtrans-65.6-36.9176.3-81.7-176.2172.6-1770113.9E341 Q342 R347 D348 E349E341-K345 PolarHBondContact O-N 3.34Å; Q342-K345 PolarHBondContact O-N 3.49Å; K345-R347 VanDerWaalsContact C-N 3.3Å; K345-R347 PolarHBondContact O-N 3.39Å; K345-D348 PolarHBondContact O-N 3.49Å; K345-E349 PolarHBondContact O-N 3.44Å
346Q39.6Very low43.3Very low140 Ų140148.9 Ų148.965%0.65471%0.712SS**Hα-helixtrans-68.8-22.9178.3-94.3177.7-14.200114.5Q342Q342-Q346 PolarHBondContact O-N 3.38Å
347R37.6Very low43.8Very low188 Ų188151.9 Ų151.971%0.70972%0.722SS**Hα-helixtrans-81.9-29.5174.8-88.4-173.8-172.7-170.3-0.7113.4K344 K345K344-R347 PolarHBondContact O-N 3.36Å; K345-R347 VanDerWaalsContact C-N 3.3Å; K345-R347 PolarHBondContact O-N 3.39Å
348D47.8Very low44.5Very low95 Ų95151.3 Ų151.351%0.50872%0.723SS.*Hα-helixtrans-78.3-23.9-177.9-63.8-21.5000111.1K344 K345K344-D348 PolarHBondContact O-N 3.43Å; K345-D348 PolarHBondContact O-N 3.49Å
349E46.1Very low44.6Very low143 Ų143152 Ų15267%0.66873%0.727SS**Hα-helixtrans-80-31.6175.8-78.3175.6174.300113.7K345K345-E349 PolarHBondContact O-N 3.44Å
350E46.2Very low44.9Very low158 Ų158153.5 Ų153.574%0.73874%0.739SS**Hα-helixtrans-74.6-22177.8-79-179.8166.100113.3
351E49Very low44.9Very low164 Ų164156 Ų15677%0.76676%0.759SS**THydrogen-bonded Turntrans-83.1-12179.3-74.3-173178.200113.8
352E47.4Very low44.9Very low166 Ų166156.7 Ų156.778%0.77676%0.763SS**SBendtrans-90.7-11.9-179.9-72.2-168.4167.700114.4
353E47Very low45Very low179 Ų179157.2 Ų157.284%0.83677%0.767SS**SBendtrans-92.4-11.2-177.5-69.8-163.7160.800115.5I355E353-I355 PolarHBondContact O-N 3.32Å
354E48.8Very low45.2Very low180 Ų180156.5 Ų156.584%0.84177%0.769SS**  trans-95.175.7177-85.1-168.7153.400113
355I51.5Low45.3Very low145 Ų145157 Ų15774%0.74478%0.776SS**  trans-109.7107159.7-55.4176.2000108.4E353 Q357E353-I355 PolarHBondContact O-N 3.32Å; I355-Q357 PolarHBondContact O-N 3.43Å
356P42.8Very low45.4Very low114 Ų114157.8 Ų157.874%0.7479%0.786SS**PPolyproline II helixtrans-73.3122.6174.125.9-29.4000111L358P356-L358 PolarHBondContact O-N 2.82Å
357Q41.7Very low45.7Very low192 Ų192159 Ų15990%0.89779%0.794SS**PPolyproline II helixtrans-62.8125.3171.6-72.6177.8-1400110.7I355I355-Q357 PolarHBondContact O-N 3.43Å
358L51.6Low46.3Very low173 Ų173156.9 Ų156.991%0.90680%0.8SS**PPolyproline II helixtrans-83.9122.8173.4-81159.6000110.4P356P356-L358 PolarHBondContact O-N 2.82Å
359V39Very low46.2Very low126 Ų126161.7 Ų161.776%0.76482%0.823SS**PPolyproline II helixtrans-74.8135172-175.30000109.1
360P46.6Very low46.2Very low121 Ų121163.3 Ų163.379%0.78684%0.836SS**PPolyproline II helixtrans-73.3136.7176.9-10.125.7000111.5
361I43.1Very low46.2Very low241 Ų241163.7 Ų163.7100%1.23685%0.845SS**  trans-105.90156.4-63.5175.7000107.4

Retrieved 361 of 361 residues in 301 ms (Link to these results)