A0A3Q0KJ41_SCHMA Loading...

Family C78 non-peptidase homologue (C78 family)

AlphaFold DB , UniProt , Accession A0A3Q0KJ41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 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
1M25Very low29.5Very low248 Ų248152.7 Ų152.7100%1.22277%0.771SS**  091.10-67.7177.4-165.600107.4S3M1-S3 PolarHBondContact O-N 2.86Å
2S28.5Very low30.3Very low86 Ų86151.1 Ų151.160%0.60178%0.775SS**  trans-75.9117166.154.10000106.9W4S2-W4 VanDerWaalsContact O-CD1 3.29Å; S2-W4 PolarHBondContact O-N 3.46Å; S2-W4 PolarHBondContact OG-NE1 3.46Å
3S24.4Very low31.1Very low117 Ų117150.8 Ų150.882%0.81877%0.768SS**  trans-73.7107.5172.563.80000108M1 A5M1-S3 PolarHBondContact O-N 2.86Å; S3-A5 PolarHBondContact O-N 3.23Å
4W31.5Very low32.4Very low201 Ų201151.9 Ų151.976%0.76177%0.769SS**  trans-73116.7172.7-62.893.8000108.2S2S2-W4 VanDerWaalsContact O-CD1 3.29Å; S2-W4 PolarHBondContact O-N 3.46Å; S2-W4 PolarHBondContact OG-NE1 3.46Å
5A27.4Very low33.6Very low89 Ų89144.5 Ų144.574%0.73674%0.74SS**  trans-98.7114.5172.800000107.9S3 T7S3-A5 PolarHBondContact O-N 3.23Å; A5-T7 PolarHBondContact O-N 3.2Å; A5-T7 VanDerWaalsContact O-N 3.13Å
6V31.1Very low35.1Very low50 Ų50139.3 Ų139.330%0.30371%0.714SS.*  trans-49.2119.7156176.10000106.1R8 Y17V6-R8 PolarHBondContact O-N 3.4Å; V6-Y17 HydrophobicContact CG2-CD1 4.37Å; V6-Y17 HydrophobicContact CG2-CE1 4.09Å
7T30Very low36.4Very low123 Ų123133 Ų13376%0.75568%0.68SS**  trans-65.585.5174.916.20000108.9A5 R9A5-T7 PolarHBondContact O-N 3.2Å; A5-T7 VanDerWaalsContact O-N 3.13Å; T7-R9 PolarHBondContact O-N 2.73Å
8R25.4Very low37.5Very low224 Ų224125.8 Ų125.885%0.84564%0.644SS**  trans-60.6102.2163.2-80.4-173.1178.9179.1-0.1107.1V6 D10V6-R8 PolarHBondContact O-N 3.4Å; R8-D10 PolarHBondContact O-N 3.13Å
9R33.1Very low38.5Very low203 Ų203122.7 Ų122.777%0.76664%0.635SS**  trans-85106.4163.2-75.6-170.2-179.5-178.34.2107.8T7T7-R9 PolarHBondContact O-N 2.73Å
10D31.4Very low39.7Very low138 Ų138117.4 Ų117.474%0.73861%0.607SS**SBendtrans59.4141.7173.8-101.6-31000117.6R8 T12 Q13R8-D10 PolarHBondContact O-N 3.13Å; D10-T12 PolarHBondContact O-N 3.15Å; D10-Q13 PolarHBondContact O-N 2.99Å
11E37Very low41Very low201 Ų201114.2 Ų114.294%0.93959%0.589SS**THydrogen-bonded Turntrans-65.11.2-167.7-64.3-176.5153.100115.5
12T38.6Very low43.4Very low133 Ų133103 Ų10382%0.81654%0.535SS*.THydrogen-bonded Turntrans-118.49.7179.961.80000114.7D10D10-T12 PolarHBondContact O-N 3.15Å
13Q41.2Very low45.2Very low147 Ų147102.1 Ų102.169%0.68752%0.523SS*.SBendtrans-110.5137.2176.3-66.2-168.50.700112.5D10D10-Q13 PolarHBondContact O-N 2.99Å
14E48.8Very low47.1Very low166 Ų166101.1 Ų101.178%0.77651%0.505SS*.  trans-46.7137.3170.5-72.2169.3161.400110.2D16E14-D16 PolarHBondContact O-N 3.31Å; E14-D16 VanDerWaalsContact O-N 3.15Å
15A50.8Low48.5Very low41 Ų4196.7 Ų96.734%0.33950%0.501SS..  trans-58.8120.3179.600000110.5Y17A15-Y17 HydrophobicContact CB-CD2 4.23Å; A15-Y17 HydrophobicContact CB-CE2 3.55Å; A15-Y17 WeakPolarHBondContact O-CD2 3.06Å; A15-Y17 PolarHBondContact O-N 2.88Å
16D58.1Low50Low61 Ų6193 Ų9333%0.32647%0.469SS..  trans-88.396.1178.4-167.7-24.8000110.7E14 G18 H21 R146E14-D16 PolarHBondContact O-N 3.31Å; E14-D16 VanDerWaalsContact O-N 3.15Å; D16-G18 VanDerWaalsContact C-N 3.34Å; D16-G18 PolarHBondContact OD1-N 3.09Å; D16-H21 IonicContact OD2-CE1 3.17Å; D16-H21 PolarHBondContact OD2-CE1 3.1Å; D16-H21 IonicContact OD2-NE2 2.79Å; D16-R146 VanDerWaalsContact CG-CZ 3.44Å; D16-R146 VanDerWaalsContact CG-NH2 3.32Å; D16-R146 IonicContact OD1-CZ 3.55Å; D16-R146 IonicContact OD1-NH1 2.66Å; D16-R146 PolarHBondContact OD1-NH1 2.62Å; D16-R146 IonicContact OD1-NH2 3.72Å; D16-R146 PolarHBondContact OD1-NH2 3.25Å; D16-R146 IonicContact OD2-CZ 4Å; D16-R146 IonicContact OD2-NH1 3.03Å; D16-R146 PolarHBondContact OD2-NH1 3.25Å
17Y57Low51.4Low33 Ų3396 Ų9613%0.12949%0.491CS..  trans-80.4-3175.7-66.4-75.4000115.7V6 A15 I371 E372 D374 L377V6-Y17 HydrophobicContact CG2-CD1 4.37Å; V6-Y17 HydrophobicContact CG2-CE1 4.09Å; A15-Y17 HydrophobicContact CB-CD2 4.23Å; A15-Y17 HydrophobicContact CB-CE2 3.55Å; A15-Y17 WeakPolarHBondContact O-CD2 3.06Å; A15-Y17 PolarHBondContact O-N 2.88Å; Y17-I371 VanDerWaalsContact CB-CG2 3.44Å; Y17-I371 HydrophobicContact CD1-CG2 4.33Å; Y17-I371 HydrophobicContact CD2-CG2 4.45Å; Y17-I371 HydrophobicContact CG-CG2 3.84Å; Y17-E372 WeakPolarHBondContact CE2-O 3.21Å; Y17-D374 WeakPolarHBondContact CE1-OD1 3.35Å; Y17-L377 HydrophobicContact CD1-CB 4.48Å; Y17-L377 HydrophobicContact CD1-CD2 4.3Å
18G55.8Low52.7Low3 Ų392.4 Ų92.43%0.03147%0.467CS..  trans-92.6101.3175.100000108.7D16 M20D16-G18 VanDerWaalsContact C-N 3.34Å; D16-G18 PolarHBondContact OD1-N 3.09Å; G18-M20 PolarHBondContact O-N 3.19Å; G18-M20 VanDerWaalsContact O-N 3.15Å
19S56.9Low54.3Low68 Ų6883.6 Ų83.648%0.47643%0.434SS..SBendtrans-67.5-13177.655.30000112.9L170S19-L170 WeakPolarHBondContact OG-CD1 3.47Å
20M63Low54.9Low16 Ų1685.4 Ų85.48%0.07944%0.441CS..SBendtrans-134.4137.3-174.5-54.7-171.168.600111G18 L163 S166 L170 S230 I231G18-M20 PolarHBondContact O-N 3.19Å; G18-M20 VanDerWaalsContact O-N 3.15Å; M20-L163 HydrophobicContact CB-CD2 4.12Å; M20-L163 HydrophobicContact CE-CB 4.32Å; M20-L163 HydrophobicContact CE-CD2 3.57Å; M20-L163 HydrophobicContact CE-CG 4.46Å; M20-L163 HydrophobicContact SD-CD2 4.45Å; M20-S166 WeakPolarHBondContact CE-OG 3.36Å; M20-S166 VanDerWaalsContact SD-CB 3.51Å; M20-S166 PolarHBondContact SD-OG 2.9Å; M20-L170 HydrophobicContact CG-CD1 4.49Å; M20-S230 WeakPolarHBondContact CB-O 3.44Å; M20-S230 PolarHBondContact N-O 3.47Å; M20-I231 HydrophobicContact CB-CG2 4.29Å
21H66.2Low55.6Low51 Ų5181.3 Ų81.324%0.23642%0.419CS..  trans-112.9144177.8-58.5-68.7000111.8D16 N23 E24 K159D16-H21 IonicContact OD2-CE1 3.17Å; D16-H21 PolarHBondContact OD2-CE1 3.1Å; D16-H21 IonicContact OD2-NE2 2.79Å; H21-N23 WeakPolarHBondContact CB-OD1 3.48Å; H21-N23 PolarHBondContact O-N 3.45Å; H21-E24 HydrophobicContact CB-CG 4.25Å; H21-E24 IonicContact CD2-OE1 2.65Å; H21-E24 PolarHBondContact O-N 3.34Å; H21-K159 PolarHBondContact O-NZ 3.35Å
22L75.1Confident55.7Low13 Ų1377.2 Ų77.27%0.06841%0.407CS..THydrogen-bonded Turntrans-62.7-22.6173.2-63.7178.2000111.9L134 L147 F148 P155 L163 I231L22-L134 HydrophobicContact CD1-CD2 4.2Å; L22-L147 WeakPolarHBondContact CB-O 3.07Å; L22-L147 HydrophobicContact CD1-CB 4.33Å; L22-F148 HydrophobicContact CD1-CD1 3.67Å; L22-F148 HydrophobicContact CD1-CD2 4.35Å; L22-F148 HydrophobicContact CD1-CE1 3.4Å; L22-F148 VanDerWaalsContact CD1-CE1 3.4Å; L22-F148 HydrophobicContact CD1-CE2 4.15Å; L22-F148 HydrophobicContact CD1-CG 4.14Å; L22-F148 HydrophobicContact CD1-CZ 3.68Å; L22-P155 HydrophobicContact CD2-CB 4.32Å; L22-P155 HydrophobicContact CD2-CG 4.08Å; L22-L163 HydrophobicContact CD2-CD1 3.58Å; L22-I231 HydrophobicContact CD2-CD1 4.19Å; L22-I231 HydrophobicContact CD2-CG2 4.49Å
23N66Low55.7Low67 Ų6777.5 Ų77.536%0.35842%0.415SS..THydrogen-bonded Turntrans-78.6-13.1-179.7685.4000114.7H21 V151H21-N23 WeakPolarHBondContact CB-OD1 3.48Å; H21-N23 PolarHBondContact O-N 3.45Å; N23-V151 HydrophobicContact CB-CB 4.15Å; N23-V151 HydrophobicContact CB-CG2 3.47Å; N23-V151 VanDerWaalsContact CB-CG2 3.47Å
24E65Low55.8Low95 Ų9573.7 Ų73.744%0.44442%0.415SS..SBendtrans-76.5141.3-179.5-71.6177.817400110.9H21 K159H21-E24 HydrophobicContact CB-CG 4.25Å; H21-E24 IonicContact CD2-OE1 2.65Å; H21-E24 PolarHBondContact O-N 3.34Å; E24-K159 WeakPolarHBondContact O-CE 3.49Å; E24-K159 PolarHBondContact O-NZ 3.49Å
25T60.1Low55.8Low109 Ų10969.8 Ų69.867%0.66940%0.396SS*.PPolyproline II helixtrans-62.9129.3171.5-55.60000108.2C27T25-C27 PolarHBondContact O-N 2.66Å
26P60.4Low55.8Low10 Ų1073.4 Ų73.47%0.06542%0.418CS..PPolyproline II helixtrans-61.1136.3-178.825.9-33.6000109.9L28 K159 A162P26-L28 HydrophobicContact CB-CD1 4.3Å; P26-L28 HydrophobicContact CB-CD2 3.94Å; P26-L28 HydrophobicContact CB-CG 3.73Å; P26-L28 HydrophobicContact CG-CD1 3.82Å; P26-L28 HydrophobicContact CG-CD2 4.35Å; P26-L28 HydrophobicContact CG-CG 3.77Å; P26-L28 PolarHBondContact O-N 2.65Å; P26-K159 HydrophobicContact CB-CD 3.75Å; P26-K159 HydrophobicContact CG-CD 4.18Å; P26-A162 HydrophobicContact CB-CB 3.96Å
27C60.3Low55.7Low114 Ų11472.5 Ų72.577%0.7742%0.424SS*.  trans-74.967.8171.4-155.80000109.2T25 Y29T25-C27 PolarHBondContact O-N 2.66Å; C27-Y29 PolarHBondContact O-N 2.92Å; C27-Y29 VanDerWaalsContact O-N 3.11Å
28L57.6Low56.4Low48 Ų4875.1 Ų75.125%0.25145%0.446SS..  trans-77.1100.3178.5-61177.7000108.7P26 V73 A162 V213P26-L28 HydrophobicContact CB-CD1 4.3Å; P26-L28 HydrophobicContact CB-CD2 3.94Å; P26-L28 HydrophobicContact CB-CG 3.73Å; P26-L28 HydrophobicContact CG-CD1 3.82Å; P26-L28 HydrophobicContact CG-CD2 4.35Å; P26-L28 HydrophobicContact CG-CG 3.77Å; P26-L28 PolarHBondContact O-N 2.65Å; L28-V73 VanDerWaalsContact CD1-C 3.46Å; L28-V73 HydrophobicContact CD1-CG1 3.87Å; L28-V73 WeakPolarHBondContact CD1-O 3.42Å; L28-A162 HydrophobicContact CD2-CB 3.97Å; L28-V213 HydrophobicContact CD2-CG1 3.5Å
29Y58.5Low58Low39 Ų3976.4 Ų76.415%0.15345%0.454CS..PPolyproline II helixtrans-74.8136.9164.951-83.2000108.7C27 L31 E165 R207 L209 V213C27-Y29 PolarHBondContact O-N 2.92Å; C27-Y29 VanDerWaalsContact O-N 3.11Å; Y29-L31 HydrophobicContact CD2-CD2 4.19Å; Y29-L31 HydrophobicContact CE2-CD2 3.65Å; Y29-L31 HydrophobicContact CE2-CG 4.38Å; Y29-L31 PolarHBondContact O-N 3.34Å; Y29-E165 PolarHBondContact OH-OE2 3.09Å; Y29-R207 VanDerWaalsContact CG-NH1 3.3Å; Y29-L209 HydrophobicContact CD1-CD1 4.08Å; Y29-L209 HydrophobicContact CD2-CD1 4.37Å; Y29-L209 HydrophobicContact CE1-CD1 3.64Å; Y29-L209 HydrophobicContact CE1-CD2 4.19Å; Y29-L209 HydrophobicContact CE1-CG 4.46Å; Y29-L209 HydrophobicContact CE2-CD1 3.92Å; Y29-L209 HydrophobicContact CG-CD1 4.45Å; Y29-V213 HydrophobicContact CE1-CG2 4.34Å
30R44.6Very low59.7Low241 Ų24173.2 Ų73.291%0.90943%0.432SS*.PPolyproline II helixtrans-64.3122162.1-78-174.1-161174.36.6106.8T32R30-T32 PolarHBondContact O-N 2.89Å
31L47.3Very low61.2Low52 Ų5275.7 Ų75.727%0.27244%0.443SS..PPolyproline II helixtrans-55.2130.2161.5-67.6168.3000107.4Y29 F35 V213Y29-L31 HydrophobicContact CD2-CD2 4.19Å; Y29-L31 HydrophobicContact CE2-CD2 3.65Å; Y29-L31 HydrophobicContact CE2-CG 4.38Å; Y29-L31 PolarHBondContact O-N 3.34Å; L31-F35 HydrophobicContact CB-CD2 3.74Å; L31-F35 HydrophobicContact CB-CE2 4.09Å; L31-F35 HydrophobicContact CB-CG 4.38Å; L31-F35 HydrophobicContact CD1-CD1 4.5Å; L31-F35 HydrophobicContact CD1-CD2 4.34Å; L31-F35 HydrophobicContact CD1-CG 4.28Å; L31-F35 HydrophobicContact CD2-CD2 3.89Å; L31-F35 HydrophobicContact CD2-CE1 4.25Å; L31-F35 HydrophobicContact CD2-CE2 3.43Å; L31-F35 VanDerWaalsContact CD2-CE2 3.43Å; L31-F35 HydrophobicContact CD2-CG 4.48Å; L31-F35 HydrophobicContact CD2-CZ 3.63Å; L31-F35 HydrophobicContact CG-CD2 4.2Å; L31-F35 HydrophobicContact CG-CE2 4.23Å; L31-V213 WeakPolarHBondContact CD1-O 3.38Å
32T38.1Very low62.4Low114 Ų11476 Ų7670%0.69945%0.451SS*.PPolyproline II helixtrans-58.6149.1173.348.10000108.8R30 G34R30-T32 PolarHBondContact O-N 2.89Å; T32-G34 PolarHBondContact O-N 3.08Å
33S40.1Very low63.4Low140 Ų14077.6 Ų77.698%0.97946%0.459SS*.THydrogen-bonded Turntrans-66.832-17053.70000115.8
34G42.3Very low64.8Low66 Ų6674.4 Ų74.468%0.6844%0.442SS*.THydrogen-bonded Turntrans-119.83.8178.400000115T32 S36T32-G34 PolarHBondContact O-N 3.08Å; G34-S36 PolarHBondContact O-N 3.3Å
35F49.5Very low66.2Low85 Ų8571.7 Ų71.737%0.37343%0.432SS..  trans-73.5117.9177-87.9-94.9000111.2L31 G37L31-F35 HydrophobicContact CB-CD2 3.74Å; L31-F35 HydrophobicContact CB-CE2 4.09Å; L31-F35 HydrophobicContact CB-CG 4.38Å; L31-F35 HydrophobicContact CD1-CD1 4.5Å; L31-F35 HydrophobicContact CD1-CD2 4.34Å; L31-F35 HydrophobicContact CD1-CG 4.28Å; L31-F35 HydrophobicContact CD2-CD2 3.89Å; L31-F35 HydrophobicContact CD2-CE1 4.25Å; L31-F35 HydrophobicContact CD2-CE2 3.43Å; L31-F35 VanDerWaalsContact CD2-CE2 3.43Å; L31-F35 HydrophobicContact CD2-CG 4.48Å; L31-F35 HydrophobicContact CD2-CZ 3.63Å; L31-F35 HydrophobicContact CG-CD2 4.2Å; L31-F35 HydrophobicContact CG-CE2 4.23Å; F35-G37 PolarHBondContact O-N 2.86Å
36S50.2Low67.9Low117 Ų11774.4 Ų74.482%0.81843%0.43SS*.  trans-80.1-0.2173.939.10000113.6G34G34-S36 PolarHBondContact O-N 3.3Å
37G55.9Low69.6Low42 Ų4277.3 Ų77.343%0.43344%0.44SS..SBendtrans-76.7152.2172.100000112.6F35 S39F35-G37 PolarHBondContact O-N 2.86Å; G37-S39 PolarHBondContact O-N 3.4Å; G37-S39 VanDerWaalsContact O-N 3.12Å
38C72.5Confident71.3Confident88 Ų8871.9 Ų71.960%0.59540%0.403SS*.  trans-74.4101.9171.8-66.70000110A40 I43C38-A40 PolarHBondContact O-N 3.28Å; C38-I43 HydrophobicContact CB-CD1 3.57Å; C38-I43 HydrophobicContact CB-CG1 4.06Å
39S89Confident73.2Confident29 Ų2973.4 Ų73.420%0.20341%0.409CS..  trans-49.7126169.3152.70000110.8G37 Q41 S42 I43 D214G37-S39 PolarHBondContact O-N 3.4Å; G37-S39 VanDerWaalsContact O-N 3.12Å; S39-Q41 VanDerWaalsContact C-N 3.29Å; S39-Q41 PolarHBondContact O-N 3.3Å; S39-Q41 PolarHBondContact OG-N 3.09Å; S39-S42 WeakPolarHBondContact CB-OG 3.18Å; S39-S42 WeakPolarHBondContact O-CA 3.38Å; S39-S42 WeakPolarHBondContact O-CB 3.41Å; S39-S42 PolarHBondContact O-N 3.38Å; S39-S42 PolarHBondContact OG-N 3.21Å; S39-S42 VanDerWaalsContact OG-N 3.1Å; S39-S42 PolarHBondContact OG-OG 2.65Å; S39-I43 PolarHBondContact O-N 3.16Å; S39-D214 CarbonylContact C-O 3.58Å; S39-D214 WeakPolarHBondContact CA-O 3.4Å; S39-D214 VanDerWaalsContact CB-OD2 3.23Å; S39-D214 WeakPolarHBondContact CB-OD2 3.39Å; S39-D214 PolarHBondContact OG-OD2 3.31Å
40A92.8Very high75Confident2 Ų279.5 Ų79.52%0.01743%0.432CS..Hα-helixtrans-59.4-41.5178.200000110.9C38 S42 I43 A44 F123 W158 D214 T216C38-A40 PolarHBondContact O-N 3.28Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 2.98Å; A40-I43 PolarHBondContact O-N 2.84Å; A40-A44 WeakPolarHBondContact O-CB 3.38Å; A40-A44 PolarHBondContact O-N 3.33Å; A40-F123 HydrophobicContact CB-CZ 4.48Å; A40-W158 HydrophobicContact CB-CZ2 4.47Å; A40-D214 PolarHBondContact N-O 2.95Å; A40-T216 HydrophobicContact CB-CG2 4.29Å
41Q93.2Very high77.5Confident67 Ų6768.6 Ų68.631%0.31339%0.393SS..Hα-helixtrans-58.5-41.1172.5178.4173.16500112.4S39 T45 I69 W158 D214S39-Q41 VanDerWaalsContact C-N 3.29Å; S39-Q41 PolarHBondContact O-N 3.3Å; S39-Q41 PolarHBondContact OG-N 3.09Å; Q41-T45 WeakPolarHBondContact O-CB 3.38Å; Q41-T45 PolarHBondContact O-N 2.99Å; Q41-T45 PolarHBondContact O-OG1 3Å; Q41-I69 HydrophobicContact CG-CG2 4.31Å; Q41-W158 HydrophobicContact CB-CZ2 4.48Å; Q41-D214 VanDerWaalsContact CB-OD1 3.31Å; Q41-D214 WeakPolarHBondContact CB-OD1 3.08Å; Q41-D214 PolarHBondContact N-OD1 3.03Å
42S92.7Very high79.9Confident58 Ų5869.5 Ų69.541%0.40639%0.394SS..Hα-helixtrans-68-40.2178.8-60.10000111.9S39 A40 R46S39-S42 WeakPolarHBondContact CB-OG 3.18Å; S39-S42 WeakPolarHBondContact O-CA 3.38Å; S39-S42 WeakPolarHBondContact O-CB 3.41Å; S39-S42 PolarHBondContact O-N 3.38Å; S39-S42 PolarHBondContact OG-N 3.21Å; S39-S42 VanDerWaalsContact OG-N 3.1Å; S39-S42 PolarHBondContact OG-OG 2.65Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 2.98Å; S42-R46 WeakPolarHBondContact O-CB 3.3Å; S42-R46 PolarHBondContact O-N 3.03Å
43I94.5Very high82.7Confident46 Ų4671 Ų7124%0.23639%0.394CS..Hα-helixtrans-62.7-49.7174-67.7164.8000110.3C38 S39 A40 T45 R46 W47 W119 T216C38-I43 HydrophobicContact CB-CD1 3.57Å; C38-I43 HydrophobicContact CB-CG1 4.06Å; S39-I43 PolarHBondContact O-N 3.16Å; A40-I43 PolarHBondContact O-N 2.84Å; I43-T45 PolarHBondContact O-N 2.91Å; I43-R46 PolarHBondContact O-N 3.26Å; I43-W47 WeakPolarHBondContact O-CB 3.42Å; I43-W47 PolarHBondContact O-N 2.96Å; I43-W119 HydrophobicContact CG2-CB 4.14Å; I43-W119 HydrophobicContact CG2-CE3 4.3Å; I43-T216 HydrophobicContact CD1-CG2 3.56Å
44A95.3Very high85.5Confident0 Ų069.3 Ų69.30%037%0.373CS..Hα-helixtrans-57.7-48.3179.100000111.5A40 R46 W47 I48 I69 W119A40-A44 WeakPolarHBondContact O-CB 3.38Å; A40-A44 PolarHBondContact O-N 3.33Å; A44-R46 PolarHBondContact O-N 3.28Å; A44-W47 PolarHBondContact O-N 3.15Å; A44-I48 WeakPolarHBondContact O-CG1 3.41Å; A44-I48 PolarHBondContact O-N 2.98Å; A44-I69 HydrophobicContact CB-CD1 3.99Å; A44-I69 HydrophobicContact CB-CG1 4.47Å; A44-W119 HydrophobicContact CB-CD2 3.69Å; A44-W119 HydrophobicContact CB-CE3 3.66Å; A44-W119 HydrophobicContact CB-CG 4.46Å; A44-W119 HydrophobicContact CB-CH2 3.83Å; A44-W119 HydrophobicContact CB-CZ2 3.83Å; A44-W119 HydrophobicContact CB-CZ3 3.73Å
45T94.7Very high88Confident38 Ų3873.2 Ų73.223%0.23338%0.378CS..Hα-helixtrans-60.8-47.7-179.6-56.80000110.9Q41 I43 W47 I48 E49 I66Q41-T45 WeakPolarHBondContact O-CB 3.38Å; Q41-T45 PolarHBondContact O-N 2.99Å; Q41-T45 PolarHBondContact O-OG1 3Å; I43-T45 PolarHBondContact O-N 2.91Å; T45-W47 VanDerWaalsContact C-N 3.3Å; T45-W47 PolarHBondContact O-N 3.34Å; T45-I48 PolarHBondContact O-N 3.44Å; T45-E49 HydrophobicContact CG2-CG 4.43Å; T45-E49 WeakPolarHBondContact O-CB 3.36Å; T45-E49 WeakPolarHBondContact O-CG 3.31Å; T45-E49 PolarHBondContact O-N 3.38Å; T45-I66 HydrophobicContact CG2-CD1 4.07Å
46R95.7Very high90.2Very high167 Ų16774.8 Ų74.863%0.6339%0.391SS*.Hα-helixtrans-62.1-36.9177.8-172.4-178.3-63.11502.2112.4S42 I43 A44 R50S42-R46 WeakPolarHBondContact O-CB 3.3Å; S42-R46 PolarHBondContact O-N 3.03Å; I43-R46 PolarHBondContact O-N 3.26Å; A44-R46 PolarHBondContact O-N 3.28Å; R46-R50 WeakPolarHBondContact O-CB 3.48Å; R46-R50 PolarHBondContact O-N 3.18Å
47W96.3Very high92.4Very high71 Ų7170.9 Ų70.927%0.26936%0.36SS..Hα-helixtrans-67.5-41.6176.3176.488.6000112.1I43 A44 T45 R50 S51 P118 W119I43-W47 WeakPolarHBondContact O-CB 3.42Å; I43-W47 PolarHBondContact O-N 2.96Å; A44-W47 PolarHBondContact O-N 3.15Å; T45-W47 VanDerWaalsContact C-N 3.3Å; T45-W47 PolarHBondContact O-N 3.34Å; W47-R50 PolarHBondContact O-N 3.24Å; W47-S51 WeakPolarHBondContact O-CB 3.01Å; W47-S51 PolarHBondContact O-N 2.95Å; W47-S51 PolarHBondContact O-OG 3.36Å; W47-P118 HydrophobicContact CZ2-CB 4.37Å; W47-P118 HydrophobicContact CZ2-CG 4.02Å; W47-W119 HydrophobicContact CB-CB 3.67Å; W47-W119 HydrophobicContact CB-CG 4.27Å; W47-W119 HydrophobicContact CD2-CB 4.11Å; W47-W119 AromaticContact CD2-CD1 3.7Å; W47-W119 HydrophobicContact CD2-CG 4.25Å; W47-W119 AromaticContact CE3-CD1 3.49Å; W47-W119 VanDerWaalsContact CE3-CD1 3.49Å; W47-W119 HydrophobicContact CE3-CG 4.33Å; W47-W119 HydrophobicContact CG-CB 3.63Å; W47-W119 HydrophobicContact CG-CG 4.22Å
48I96.8Very high94.3Very high0 Ų072.6 Ų72.60%036%0.363CS..Hα-helixtrans-63.6-47.2175.6-66.8166.3000110.4A44 T45 R50 S51 F52 L57 Y62 R65 I66 I69A44-I48 WeakPolarHBondContact O-CG1 3.41Å; A44-I48 PolarHBondContact O-N 2.98Å; T45-I48 PolarHBondContact O-N 3.44Å; I48-R50 PolarHBondContact O-N 3.42Å; I48-S51 PolarHBondContact O-N 3.19Å; I48-F52 PolarHBondContact O-N 2.82Å; I48-L57 HydrophobicContact CG2-CD1 4.23Å; I48-Y62 HydrophobicContact CG2-CD2 3.49Å; I48-Y62 VanDerWaalsContact CG2-CD2 3.49Å; I48-Y62 HydrophobicContact CG2-CE2 3.78Å; I48-Y62 HydrophobicContact CG2-CG 4.48Å; I48-R65 HydrophobicContact CD1-CB 3.9Å; I48-R65 HydrophobicContact CG1-CB 4.26Å; I48-R65 HydrophobicContact CG2-CB 4.1Å; I48-I66 HydrophobicContact CB-CD1 4.31Å; I48-I66 HydrophobicContact CD1-CD1 4.13Å; I48-I66 HydrophobicContact CG2-CD1 3.97Å; I48-I66 HydrophobicContact CG2-CG1 4.13Å; I48-I69 HydrophobicContact CD1-CG1 3.81Å
49E97.2Very high95.5Very high79 Ų7973 Ų7337%0.36936%0.358SS..Hα-helixtrans-56-51.1176.2-74169.7171.100111.1T45 S51 F52 E53 Y62T45-E49 HydrophobicContact CG2-CG 4.43Å; T45-E49 WeakPolarHBondContact O-CB 3.36Å; T45-E49 WeakPolarHBondContact O-CG 3.31Å; T45-E49 PolarHBondContact O-N 3.38Å; E49-S51 VanDerWaalsContact C-N 3.33Å; E49-S51 PolarHBondContact O-N 2.93Å; E49-F52 WeakPolarHBondContact O-CB 3.38Å; E49-F52 PolarHBondContact O-N 2.81Å; E49-F52 VanDerWaalsContact O-N 3.15Å; E49-E53 WeakPolarHBondContact O-CG 3.47Å; E49-E53 PolarHBondContact O-N 3.42Å; E49-Y62 HydrophobicContact CG-CE2 4.04Å
50R97.4Very high95.9Very high167 Ų16778 Ų7863%0.6338%0.38SS*.Hα-helixtrans-62.3-38.3178.1-172.1172.9-1751612.2113R46 W47 I48 F52 E53 L54R46-R50 WeakPolarHBondContact O-CB 3.48Å; R46-R50 PolarHBondContact O-N 3.18Å; W47-R50 PolarHBondContact O-N 3.24Å; I48-R50 PolarHBondContact O-N 3.42Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 3.47Å; R50-E53 PolarHBondContact O-N 3.09Å; R50-L54 HydrophobicContact CG-CD1 4.07Å; R50-L54 HydrophobicContact CG-CG 4.46Å; R50-L54 WeakPolarHBondContact O-CB 3.11Å; R50-L54 VanDerWaalsContact O-CG 3.28Å; R50-L54 WeakPolarHBondContact O-CG 3.45Å; R50-L54 PolarHBondContact O-N 2.84Å
51S96.8Very high96.1Very high13 Ų1379.9 Ų79.99%0.09139%0.39CS..Hα-helixtrans-66.1-34.7177.3-61.20000111.8W47 I48 E49 N56 L57W47-S51 WeakPolarHBondContact O-CB 3.01Å; W47-S51 PolarHBondContact O-N 2.95Å; W47-S51 PolarHBondContact O-OG 3.36Å; I48-S51 PolarHBondContact O-N 3.19Å; E49-S51 VanDerWaalsContact C-N 3.33Å; E49-S51 PolarHBondContact O-N 2.93Å; S51-N56 WeakPolarHBondContact O-CA 3.47Å; S51-N56 WeakPolarHBondContact O-CB 3.33Å; S51-N56 PolarHBondContact O-N 2.85Å; S51-L57 PolarHBondContact O-N 2.74Å
52F97.3Very high96.2Very high70 Ų7079.3 Ų79.331%0.30739%0.385SS..Hα-helixtrans-69.1-45.7172.3177.5-111.9000112.1I48 E49 R50 L54 N55 L57 L59 Y62I48-F52 PolarHBondContact O-N 2.82Å; E49-F52 WeakPolarHBondContact O-CB 3.38Å; E49-F52 PolarHBondContact O-N 2.81Å; E49-F52 VanDerWaalsContact O-N 3.15Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 3.47Å; F52-L54 PolarHBondContact O-N 3.25Å; F52-N55 WeakPolarHBondContact O-CA 3.26Å; F52-N55 PolarHBondContact O-N 2.93Å; F52-L57 HydrophobicContact CB-CB 4.46Å; F52-L57 WeakPolarHBondContact CD2-O 2.94Å; F52-L59 HydrophobicContact CE2-CB 4.12Å; F52-L59 HydrophobicContact CE2-CD1 4.34Å; F52-L59 HydrophobicContact CZ-CB 4.46Å; F52-L59 HydrophobicContact CZ-CD1 4.04Å; F52-Y62 HydrophobicContact CB-CD2 3.66Å; F52-Y62 HydrophobicContact CB-CE2 4.42Å; F52-Y62 HydrophobicContact CB-CG 4.12Å; F52-Y62 HydrophobicContact CD1-CD2 4.36Å; F52-Y62 HydrophobicContact CD1-CG 4.4Å; F52-Y62 HydrophobicContact CD2-CG 4.23Å; F52-Y62 AromaticContact CG-CD2 3.97Å; F52-Y62 HydrophobicContact CG-CD2 3.97Å; F52-Y62 AromaticContact CG-CG 3.99Å; F52-Y62 HydrophobicContact CG-CG 3.99Å
53E97.4Very high96.4Very high146 Ų14680.9 Ų80.968%0.68239%0.386SS*.Hα-helixtrans-59.1-34.8176.5-71.6173.1174.200113E49 R50 N55E49-E53 WeakPolarHBondContact O-CG 3.47Å; E49-E53 PolarHBondContact O-N 3.42Å; R50-E53 PolarHBondContact O-N 3.09Å; E53-N55 PolarHBondContact O-N 3.29Å
54L97.5Very high96.6Very high105 Ų10584 Ų8455%0.5540%0.395SS..THydrogen-bonded Turntrans-80.85.5176.1-66.5175.1000113.6R50 F52 N56R50-L54 HydrophobicContact CG-CD1 4.07Å; R50-L54 HydrophobicContact CG-CG 4.46Å; R50-L54 WeakPolarHBondContact O-CB 3.11Å; R50-L54 VanDerWaalsContact O-CG 3.28Å; R50-L54 WeakPolarHBondContact O-CG 3.45Å; R50-L54 PolarHBondContact O-N 2.84Å; F52-L54 PolarHBondContact O-N 3.25Å; L54-N56 PolarHBondContact O-N 3.45Å
55N95.8Very high96.6Very high147 Ų14784.9 Ų84.979%0.78640%0.398SS*.THydrogen-bonded Turntrans59.621.7-175.3-56.3-68.3000114.8F52 E53 L57F52-N55 WeakPolarHBondContact O-CA 3.26Å; F52-N55 PolarHBondContact O-N 2.93Å; E53-N55 PolarHBondContact O-N 3.29Å; N55-L57 VanDerWaalsContact C-N 3.29Å
56N95.6Very high96.6Very high119 Ų11983.8 Ų83.864%0.63639%0.391SS*.SBendtrans-79.5-15173.2-64.1-22.7000112.1S51 L54S51-N56 WeakPolarHBondContact O-CA 3.47Å; S51-N56 WeakPolarHBondContact O-CB 3.33Å; S51-N56 PolarHBondContact O-N 2.85Å; L54-N56 PolarHBondContact O-N 3.45Å
57L95.4Very high96.6Very high34 Ų3482.1 Ų82.118%0.17839%0.39CS..SBendtrans-126.4140.8176.7-64.5176.7000110.3I48 S51 F52 N55 D61I48-L57 HydrophobicContact CG2-CD1 4.23Å; S51-L57 PolarHBondContact O-N 2.74Å; F52-L57 HydrophobicContact CB-CB 4.46Å; F52-L57 WeakPolarHBondContact CD2-O 2.94Å; N55-L57 VanDerWaalsContact C-N 3.29Å; L57-D61 HydrophobicContact CB-CB 4.25Å; L57-D61 HydrophobicContact CD2-CB 4.06Å
58T97.3Very high96.5Very high79 Ų7980.3 Ų80.349%0.48539%0.385SS..  trans-73.2165.1166.772.50000110.5M60 D61 Y62T58-M60 PolarHBondContact O-N 3.39Å; T58-M60 PolarHBondContact OG1-N 3.48Å; T58-D61 WeakPolarHBondContact CB-OD2 3.3Å; T58-D61 WeakPolarHBondContact CG2-OD2 3.43Å; T58-D61 PolarHBondContact N-OD2 2.88Å; T58-D61 PolarHBondContact O-N 3.35Å; T58-D61 PolarHBondContact OG1-N 3.29Å; T58-D61 VanDerWaalsContact OG1-N 3.15Å; T58-D61 PolarHBondContact OG1-OD2 3.06Å; T58-Y62 WeakPolarHBondContact O-CB 3.25Å; T58-Y62 PolarHBondContact O-N 2.85Å
59L97Very high96.3Very high97 Ų9780.6 Ų80.651%0.50839%0.386SS..Hα-helixtrans-57.5-38.4174.5178.562.5000112.1F52 Q63F52-L59 HydrophobicContact CE2-CB 4.12Å; F52-L59 HydrophobicContact CE2-CD1 4.34Å; F52-L59 HydrophobicContact CZ-CB 4.46Å; F52-L59 HydrophobicContact CZ-CD1 4.04Å; L59-Q63 HydrophobicContact CD1-CG 4.45Å; L59-Q63 WeakPolarHBondContact O-CG 3.42Å; L59-Q63 PolarHBondContact O-N 2.84Å
60M97.4Very high96Very high132 Ų13283.5 Ų83.565%0.6539%0.394SS*.Hα-helixtrans-66.2-43.5177.4-72.4-62.8-6000111.5T58 Q63 R64T58-M60 PolarHBondContact O-N 3.39Å; T58-M60 PolarHBondContact OG1-N 3.48Å; M60-Q63 PolarHBondContact O-N 3.49Å; M60-R64 WeakPolarHBondContact O-CB 3.21Å; M60-R64 PolarHBondContact O-N 2.88Å
61D96Very high95.6Very high42 Ų4281.8 Ų81.823%0.22539%0.387CS..Hα-helixtrans-65.4-44.3177.3-60.3-48.9000111.4L57 T58 Q63 R64 R65L57-D61 HydrophobicContact CB-CB 4.25Å; L57-D61 HydrophobicContact CD2-CB 4.06Å; T58-D61 WeakPolarHBondContact CB-OD2 3.3Å; T58-D61 WeakPolarHBondContact CG2-OD2 3.43Å; T58-D61 PolarHBondContact N-OD2 2.88Å; T58-D61 PolarHBondContact O-N 3.35Å; T58-D61 PolarHBondContact OG1-N 3.29Å; T58-D61 VanDerWaalsContact OG1-N 3.15Å; T58-D61 PolarHBondContact OG1-OD2 3.06Å; D61-Q63 PolarHBondContact O-N 2.84Å; D61-R64 PolarHBondContact O-N 3.47Å; D61-R64 IonicContact OD1-CZ 3.56Å; D61-R64 IonicContact OD1-NH1 3.75Å; D61-R64 PolarHBondContact OD1-NH1 3.46Å; D61-R64 IonicContact OD1-NH2 3.07Å; D61-R64 PolarHBondContact OD1-NH2 2.95Å; D61-R65 WeakPolarHBondContact O-CB 3.41Å; D61-R65 WeakPolarHBondContact O-CG 3.27Å; D61-R65 PolarHBondContact O-N 3.16Å
62Y96.8Very high95.4Very high55 Ų5581.5 Ų81.522%0.21639%0.385CS..Hα-helixtrans-54.2-52.1174.6169.7-98.7000111.5I48 E49 F52 T58 R64 R65 I66I48-Y62 HydrophobicContact CG2-CD2 3.49Å; I48-Y62 VanDerWaalsContact CG2-CD2 3.49Å; I48-Y62 HydrophobicContact CG2-CE2 3.78Å; I48-Y62 HydrophobicContact CG2-CG 4.48Å; E49-Y62 HydrophobicContact CG-CE2 4.04Å; F52-Y62 HydrophobicContact CB-CD2 3.66Å; F52-Y62 HydrophobicContact CB-CE2 4.42Å; F52-Y62 HydrophobicContact CB-CG 4.12Å; F52-Y62 HydrophobicContact CD1-CD2 4.36Å; F52-Y62 HydrophobicContact CD1-CG 4.4Å; F52-Y62 HydrophobicContact CD2-CG 4.23Å; F52-Y62 AromaticContact CG-CD2 3.97Å; F52-Y62 HydrophobicContact CG-CD2 3.97Å; F52-Y62 AromaticContact CG-CG 3.99Å; F52-Y62 HydrophobicContact CG-CG 3.99Å; T58-Y62 WeakPolarHBondContact O-CB 3.25Å; T58-Y62 PolarHBondContact O-N 2.85Å; Y62-R64 PolarHBondContact O-N 3.32Å; Y62-R65 PolarHBondContact O-N 3.46Å; Y62-I66 HydrophobicContact CD2-CG1 4.47Å; Y62-I66 HydrophobicContact CE1-CG1 4.36Å; Y62-I66 HydrophobicContact CE2-CD1 4.31Å; Y62-I66 HydrophobicContact CE2-CG1 4.02Å; Y62-I66 WeakPolarHBondContact O-CG1 3.09Å; Y62-I66 PolarHBondContact O-N 3.2Å
63Q97.3Very high95Very high92 Ų9279.2 Ų79.243%0.4338%0.377SS..Hα-helixtrans-62.1-42.8179.5-72.8177.9-9.500112.2L59 M60 D61 I66 Q67L59-Q63 HydrophobicContact CD1-CG 4.45Å; L59-Q63 WeakPolarHBondContact O-CG 3.42Å; L59-Q63 PolarHBondContact O-N 2.84Å; M60-Q63 PolarHBondContact O-N 3.49Å; D61-Q63 PolarHBondContact O-N 2.84Å; Q63-I66 PolarHBondContact O-N 3.01Å; Q63-Q67 WeakPolarHBondContact O-CG 3.41Å; Q63-Q67 PolarHBondContact O-N 3.4Å
64R97.1Very high94.5Very high110 Ų11080.6 Ų80.642%0.41538%0.376SS..Hα-helixtrans-59.8-49.7176.2-176.6-174.662.8-109.8-1.8111.1M60 D61 Y62 I66 Q67 E68M60-R64 WeakPolarHBondContact O-CB 3.21Å; M60-R64 PolarHBondContact O-N 2.88Å; D61-R64 PolarHBondContact O-N 3.47Å; D61-R64 IonicContact OD1-CZ 3.56Å; D61-R64 IonicContact OD1-NH1 3.75Å; D61-R64 PolarHBondContact OD1-NH1 3.46Å; D61-R64 IonicContact OD1-NH2 3.07Å; D61-R64 PolarHBondContact OD1-NH2 2.95Å; Y62-R64 PolarHBondContact O-N 3.32Å; R64-I66 PolarHBondContact O-N 3.25Å; R64-Q67 CarbonylContact O-C 3.48Å; R64-Q67 WeakPolarHBondContact O-CA 3.42Å; R64-Q67 WeakPolarHBondContact O-CB 3.42Å; R64-Q67 PolarHBondContact O-N 2.96Å; R64-E68 WeakPolarHBondContact CD-OE1 3.25Å; R64-E68 HydrophobicContact CG-CG 4.45Å; R64-E68 WeakPolarHBondContact CG-OE1 3.5Å; R64-E68 IonicContact NE-OE1 2.87Å; R64-E68 WeakPolarHBondContact O-CG 3.49Å; R64-E68 PolarHBondContact O-N 3.27Å
65R96.5Very high94Very high19 Ų1980.1 Ų80.17%0.07237%0.371CS..Hα-helixtrans-60.8-41.5-179.4-67.7-76.1-64137.64.7112.1I48 D61 Y62 Q67 E68 I69 E117I48-R65 HydrophobicContact CD1-CB 3.9Å; I48-R65 HydrophobicContact CG1-CB 4.26Å; I48-R65 HydrophobicContact CG2-CB 4.1Å; D61-R65 WeakPolarHBondContact O-CB 3.41Å; D61-R65 WeakPolarHBondContact O-CG 3.27Å; D61-R65 PolarHBondContact O-N 3.16Å; Y62-R65 PolarHBondContact O-N 3.46Å; R65-Q67 VanDerWaalsContact C-N 3.34Å; R65-Q67 PolarHBondContact O-N 2.76Å; R65-E68 IonicContact NH1-OE2 3.42Å; R65-E68 PolarHBondContact NH1-OE2 3.16Å; R65-E68 WeakPolarHBondContact O-CB 3.3Å; R65-E68 PolarHBondContact O-N 3.5Å; R65-I69 WeakPolarHBondContact O-CG1 3.49Å; R65-I69 PolarHBondContact O-N 3.1Å; R65-E117 IonicContact CZ-OE1 3.14Å; R65-E117 IonicContact CZ-OE2 2.68Å; R65-E117 IonicContact NH1-OE1 3.35Å; R65-E117 IonicContact NH1-OE2 3.49Å; R65-E117 PolarHBondContact NH1-OE2 3.47Å; R65-E117 IonicContact NH2-OE1 2.71Å; R65-E117 PolarHBondContact NH2-OE1 3.19Å; R65-E117 IonicContact NH2-OE2 3.3Å; R65-E117 PolarHBondContact NH2-OE2 3.38Å
66I95Very high93.8Very high16 Ų1673.3 Ų73.38%0.08234%0.335CS..Hα-helixtrans-63-40.6173.7-67-64.4000111.6T45 I48 Y62 Q63 R64 R70T45-I66 HydrophobicContact CG2-CD1 4.07Å; I48-I66 HydrophobicContact CB-CD1 4.31Å; I48-I66 HydrophobicContact CD1-CD1 4.13Å; I48-I66 HydrophobicContact CG2-CD1 3.97Å; I48-I66 HydrophobicContact CG2-CG1 4.13Å; Y62-I66 HydrophobicContact CD2-CG1 4.47Å; Y62-I66 HydrophobicContact CE1-CG1 4.36Å; Y62-I66 HydrophobicContact CE2-CD1 4.31Å; Y62-I66 HydrophobicContact CE2-CG1 4.02Å; Y62-I66 WeakPolarHBondContact O-CG1 3.09Å; Y62-I66 PolarHBondContact O-N 3.2Å; Q63-I66 PolarHBondContact O-N 3.01Å; R64-I66 PolarHBondContact O-N 3.25Å; I66-R70 WeakPolarHBondContact O-CB 3.34Å; I66-R70 VanDerWaalsContact O-CG 3.27Å; I66-R70 WeakPolarHBondContact O-CG 3.43Å; I66-R70 PolarHBondContact O-N 3.42Å; I66-R70 VanDerWaalsContact O-N 3.08Å
67Q94.7Very high93.5Very high131 Ų13169.7 Ų69.761%0.61232%0.316SS*.Hα-helixtrans-66.8-40176.4-72.5178.72.100112.3Q63 R64 R65 R70 R71Q63-Q67 WeakPolarHBondContact O-CG 3.41Å; Q63-Q67 PolarHBondContact O-N 3.4Å; R64-Q67 CarbonylContact O-C 3.48Å; R64-Q67 WeakPolarHBondContact O-CA 3.42Å; R64-Q67 WeakPolarHBondContact O-CB 3.42Å; R64-Q67 PolarHBondContact O-N 2.96Å; R65-Q67 VanDerWaalsContact C-N 3.34Å; R65-Q67 PolarHBondContact O-N 2.76Å; Q67-R70 PolarHBondContact O-N 2.67Å; Q67-R71 WeakPolarHBondContact O-CB 3.35Å; Q67-R71 PolarHBondContact O-N 2.88Å
68E94.2Very high93.5Very high33 Ų3368.9 Ų68.915%0.15431%0.311CS..Hα-helixtrans-57-54.6173.8-73.7168.7-170.800110.7R64 R65 R70 R71 S72R64-E68 WeakPolarHBondContact CD-OE1 3.25Å; R64-E68 HydrophobicContact CG-CG 4.45Å; R64-E68 WeakPolarHBondContact CG-OE1 3.5Å; R64-E68 IonicContact NE-OE1 2.87Å; R64-E68 WeakPolarHBondContact O-CG 3.49Å; R64-E68 PolarHBondContact O-N 3.27Å; R65-E68 IonicContact NH1-OE2 3.42Å; R65-E68 PolarHBondContact NH1-OE2 3.16Å; R65-E68 WeakPolarHBondContact O-CB 3.3Å; R65-E68 PolarHBondContact O-N 3.5Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 2.97Å; E68-R71 CarbonylContact O-C 3.53Å; E68-R71 WeakPolarHBondContact O-CA 3.35Å; E68-R71 WeakPolarHBondContact O-CB 3.31Å; E68-R71 PolarHBondContact O-N 3.47Å; E68-S72 PolarHBondContact O-N 3.48Å; E68-S72 PolarHBondContact O-OG 3.12Å; E68-S72 VanDerWaalsContact O-OG 3.07Å
69I92Very high93.3Very high7 Ų767.4 Ų67.44%0.03630%0.304CS..Hα-helixtrans-56.5-46177.6-65.8-67.8000111.3Q41 A44 I48 R65 R71 S72 V73 W119 W158Q41-I69 HydrophobicContact CG-CG2 4.31Å; A44-I69 HydrophobicContact CB-CD1 3.99Å; A44-I69 HydrophobicContact CB-CG1 4.47Å; I48-I69 HydrophobicContact CD1-CG1 3.81Å; R65-I69 WeakPolarHBondContact O-CG1 3.49Å; R65-I69 PolarHBondContact O-N 3.1Å; I69-R71 PolarHBondContact O-N 3.28Å; I69-S72 PolarHBondContact O-N 2.77Å; I69-V73 WeakPolarHBondContact O-CG2 3.42Å; I69-V73 PolarHBondContact O-N 3.26Å; I69-W119 HydrophobicContact CD1-CZ2 4.02Å; I69-W158 HydrophobicContact CD1-CH2 3.86Å; I69-W158 HydrophobicContact CD1-CZ3 4.4Å; I69-W158 HydrophobicContact CG2-CH2 4.29Å
70R91.7Very high93.2Very high139 Ų13965.3 Ų65.353%0.52530%0.301SS..Hα-helixtrans-62.9-29.6177.9-74.1174178.8174.72.2113I66 Q67 E68 R74I66-R70 WeakPolarHBondContact O-CB 3.34Å; I66-R70 VanDerWaalsContact O-CG 3.27Å; I66-R70 WeakPolarHBondContact O-CG 3.43Å; I66-R70 PolarHBondContact O-N 3.42Å; I66-R70 VanDerWaalsContact O-N 3.08Å; Q67-R70 PolarHBondContact O-N 2.67Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 2.97Å; R70-R74 VanDerWaalsContact O-CB 3.32Å; R70-R74 WeakPolarHBondContact O-CB 3.4Å; R70-R74 VanDerWaalsContact O-CG 3.29Å; R70-R74 WeakPolarHBondContact O-CG 3.4Å; R70-R74 PolarHBondContact O-N 3.2Å; R70-R74 VanDerWaalsContact O-N 3.13Å; R70-R74 PolarHBondContact O-NE 3.07Å; R70-R74 VanDerWaalsContact O-NE 3.07Å
71R89.6Confident93.1Very high132 Ų13261.4 Ų61.450%0.49829%0.29SS..Hα-helixtrans-78-46.3176.2-170.8-177.2176.7-169.9-7.4110.4Q67 E68 I69 V73 R74 Q75Q67-R71 WeakPolarHBondContact O-CB 3.35Å; Q67-R71 PolarHBondContact O-N 2.88Å; E68-R71 CarbonylContact O-C 3.53Å; E68-R71 WeakPolarHBondContact O-CA 3.35Å; E68-R71 WeakPolarHBondContact O-CB 3.31Å; E68-R71 PolarHBondContact O-N 3.47Å; I69-R71 PolarHBondContact O-N 3.28Å; R71-V73 VanDerWaalsContact C-N 3.28Å; R71-V73 PolarHBondContact O-N 2.86Å; R71-R74 PolarHBondContact O-N 3.3Å; R71-Q75 HydrophobicContact CG-CB 4.38Å; R71-Q75 HydrophobicContact CG-CG 4.24Å; R71-Q75 WeakPolarHBondContact O-CA 3.32Å; R71-Q75 WeakPolarHBondContact O-CB 3.13Å; R71-Q75 PolarHBondContact O-N 2.69Å
72S91.8Very high93.1Very high6 Ų660 Ų604%0.04228%0.283CS..Hα-helixtrans-58-40.4177.2-58.60000112.6E68 I69 G76 I77 S156E68-S72 PolarHBondContact O-N 3.48Å; E68-S72 PolarHBondContact O-OG 3.12Å; E68-S72 VanDerWaalsContact O-OG 3.07Å; I69-S72 PolarHBondContact O-N 2.77Å; S72-G76 VanDerWaalsContact O-CA 3.24Å; S72-G76 WeakPolarHBondContact O-CA 3.43Å; S72-G76 PolarHBondContact O-N 3.37Å; S72-I77 VanDerWaalsContact CA-O 3.22Å; S72-I77 WeakPolarHBondContact CA-O 3.29Å; S72-I77 PolarHBondContact OG-O 2.64Å; S72-S156 WeakPolarHBondContact O-CB 3.44Å; S72-S156 PolarHBondContact O-OG 2.95Å
73V89.3Confident93.2Very high23 Ų2358.1 Ų58.114%0.13928%0.277CS..Hα-helixtrans-66.4-74169.2177.90000108.3L28 I69 R71 Q75 G76 W158L28-V73 VanDerWaalsContact CD1-C 3.46Å; L28-V73 HydrophobicContact CD1-CG1 3.87Å; L28-V73 WeakPolarHBondContact CD1-O 3.42Å; I69-V73 WeakPolarHBondContact O-CG2 3.42Å; I69-V73 PolarHBondContact O-N 3.26Å; R71-V73 VanDerWaalsContact C-N 3.28Å; R71-V73 PolarHBondContact O-N 2.86Å; V73-Q75 VanDerWaalsContact C-N 3.33Å; V73-Q75 PolarHBondContact O-N 3.25Å; V73-Q75 VanDerWaalsContact O-N 3.09Å; V73-G76 PolarHBondContact O-N 2.81Å; V73-W158 HydrophobicContact CG2-CD2 3.57Å; V73-W158 HydrophobicContact CG2-CE3 3.99Å; V73-W158 HydrophobicContact CG2-CG 3.94Å; V73-W158 HydrophobicContact CG2-CH2 4.35Å; V73-W158 HydrophobicContact CG2-CZ2 3.94Å; V73-W158 HydrophobicContact CG2-CZ3 4.37Å
74R87.3Confident93.2Very high174 Ų17453.8 Ų53.866%0.65726%0.257SS*.Hα-helixtrans-58.6-35.9-166.5-69-177.1-64.8171.72.7116R70 R71R70-R74 VanDerWaalsContact O-CB 3.32Å; R70-R74 WeakPolarHBondContact O-CB 3.4Å; R70-R74 VanDerWaalsContact O-CG 3.29Å; R70-R74 WeakPolarHBondContact O-CG 3.4Å; R70-R74 PolarHBondContact O-N 3.2Å; R70-R74 VanDerWaalsContact O-N 3.13Å; R70-R74 PolarHBondContact O-NE 3.07Å; R70-R74 VanDerWaalsContact O-NE 3.07Å; R71-R74 PolarHBondContact O-N 3.3Å
75Q86.8Confident93.2Very high95 Ų9553.3 Ų53.344%0.44426%0.263SS..Hα-helixtrans-102.7-12.8-175.5-61.1-177.4-15.600112.8R71 V73 I77R71-Q75 HydrophobicContact CG-CB 4.38Å; R71-Q75 HydrophobicContact CG-CG 4.24Å; R71-Q75 WeakPolarHBondContact O-CA 3.32Å; R71-Q75 WeakPolarHBondContact O-CB 3.13Å; R71-Q75 PolarHBondContact O-N 2.69Å; V73-Q75 VanDerWaalsContact C-N 3.33Å; V73-Q75 PolarHBondContact O-N 3.25Å; V73-Q75 VanDerWaalsContact O-N 3.09Å; Q75-I77 HydrophobicContact CB-CB 4.48Å; Q75-I77 HydrophobicContact CB-CD1 4.08Å; Q75-I77 HydrophobicContact CB-CG1 4.18Å; Q75-I77 PolarHBondContact O-N 3.41Å
76G90.3Very high93.1Very high4 Ų453.3 Ų53.34%0.04127%0.269CS..  trans7017.8-175.100000114.8S72 V73 P155 S156 K159S72-G76 VanDerWaalsContact O-CA 3.24Å; S72-G76 WeakPolarHBondContact O-CA 3.43Å; S72-G76 PolarHBondContact O-N 3.37Å; V73-G76 PolarHBondContact O-N 2.81Å; G76-P155 CarbonylContact O-C 3.47Å; G76-P155 WeakPolarHBondContact O-CA 3.39Å; G76-S156 WeakPolarHBondContact CA-OG 3.41Å; G76-S156 PolarHBondContact O-N 3.29Å; G76-K159 VanDerWaalsContact O-CB 3.31Å; G76-K159 WeakPolarHBondContact O-CB 3.32Å
77I91Very high93.1Very high43 Ų4352.5 Ų52.522%0.22127%0.265CS..BIsolated β-bridgetrans-104.4125.3-175.4-66.6171.7000109.9S72 Q75 A153S72-I77 VanDerWaalsContact CA-O 3.22Å; S72-I77 WeakPolarHBondContact CA-O 3.29Å; S72-I77 PolarHBondContact OG-O 2.64Å; Q75-I77 HydrophobicContact CB-CB 4.48Å; Q75-I77 HydrophobicContact CB-CD1 4.08Å; Q75-I77 HydrophobicContact CB-CG1 4.18Å; Q75-I77 PolarHBondContact O-N 3.41Å; I77-A153 HydrophobicContact CG2-CB 3.86Å
78D94.4Very high93.1Very high17 Ų1746.3 Ų46.39%0.09124%0.236CC..  trans-65.7145.8172.9-167.4-89.4000111.4A80 R128 Q131 M154D78-A80 VanDerWaalsContact C-N 3.27Å; D78-A80 PolarHBondContact O-N 2.86Å; D78-A80 WeakPolarHBondContact OD1-CA 3.37Å; D78-A80 PolarHBondContact OD1-N 2.72Å; D78-R128 IonicContact OD2-NH1 3.18Å; D78-R128 PolarHBondContact OD2-NH1 3.22Å; D78-R128 VanDerWaalsContact OD2-NH1 3.11Å; D78-Q131 VanDerWaalsContact CG-NE2 3.26Å; D78-Q131 PolarHBondContact OD2-NE2 3.02Å; D78-M154 HydrophobicContact CB-CB 4.27Å; D78-M154 PolarHBondContact N-O 3.44Å
79S93.9Very high93.1Very high48 Ų4849.8 Ų49.834%0.33625%0.252SS..  trans-79-11.1-178.863.40000113.7A81S79-A81 PolarHBondContact O-N 3.43Å; S79-A81 VanDerWaalsContact O-N 3.17Å; S79-A81 VanDerWaalsContact OG-CB 3.31Å; S79-A81 WeakPolarHBondContact OG-CB 3.39Å; S79-A81 PolarHBondContact OG-N 3.24Å
80A95Very high93.3Very high54 Ų5449.5 Ų49.545%0.44625%0.251SS..  trans58.313.3-168.300000114.2D78 T82 C83D78-A80 VanDerWaalsContact C-N 3.27Å; D78-A80 PolarHBondContact O-N 2.86Å; D78-A80 WeakPolarHBondContact OD1-CA 3.37Å; D78-A80 PolarHBondContact OD1-N 2.72Å; A80-T82 PolarHBondContact O-N 3.35Å; A80-C83 HydrophobicContact CB-CB 3.95Å; A80-C83 VanDerWaalsContact O-CB 3.27Å; A80-C83 WeakPolarHBondContact O-CB 3.45Å; A80-C83 PolarHBondContact O-N 2.85Å; A80-C83 VanDerWaalsContact O-N 3.1Å
81A94.2Very high93.5Very high49 Ų4942.9 Ų42.941%0.40523%0.226SC..THydrogen-bonded Turntrans-65.8-27.3-178.100000113.1S79S79-A81 PolarHBondContact O-N 3.43Å; S79-A81 VanDerWaalsContact O-N 3.17Å; S79-A81 VanDerWaalsContact OG-CB 3.31Å; S79-A81 WeakPolarHBondContact OG-CB 3.39Å; S79-A81 PolarHBondContact OG-N 3.24Å
82T96.4Very high93.7Very high12 Ų1240.4 Ų40.47%0.07422%0.218CC..THydrogen-bonded Turntrans-102.89.2176.161.20000112.9A80 A115 E117 R128 A312A80-T82 PolarHBondContact O-N 3.35Å; T82-A115 WeakPolarHBondContact CB-O 3.16Å; T82-A115 WeakPolarHBondContact CG2-O 3.32Å; T82-A115 PolarHBondContact O-N 3.28Å; T82-A115 PolarHBondContact OG1-O 3.26Å; T82-A115 VanDerWaalsContact OG1-O 3.11Å; T82-E117 HydrophobicContact CG2-CG 3.52Å; T82-R128 PolarHBondContact OG1-NH1 3.2Å; T82-A312 WeakPolarHBondContact O-CB 3.32Å
83C98Very high93.8Very high16 Ų1642.1 Ų42.111%0.10823%0.226CC..EExtended strand (participates in β ladder)trans-84.5138.1-178.3-175.60000111.2A80 H113 F114 R316A80-C83 HydrophobicContact CB-CB 3.95Å; A80-C83 VanDerWaalsContact O-CB 3.27Å; A80-C83 WeakPolarHBondContact O-CB 3.45Å; A80-C83 PolarHBondContact O-N 2.85Å; A80-C83 VanDerWaalsContact O-N 3.1Å; C83-H113 CarbonylContact C-O 3.5Å; C83-H113 VanDerWaalsContact CA-O 3.29Å; C83-H113 WeakPolarHBondContact CA-O 3.49Å; C83-F114 HydrophobicContact CB-CD1 4.14Å; C83-F114 HydrophobicContact CB-CE1 3.84Å; C83-F114 HydrophobicContact CB-CZ 4.38Å; C83-R316 PolarHBondContact O-NH2 3.49Å
84T98.1Very high94Very high1 Ų141 Ų411%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-127.3117.3165.3-53.70000108.8I87 H113 A312 M315 R316 I319T84-I87 HydrophobicContact CG2-CD1 3.98Å; T84-I87 HydrophobicContact CG2-CG1 3.91Å; T84-I87 VanDerWaalsContact O-CD1 3.3Å; T84-I87 WeakPolarHBondContact O-CD1 3.49Å; T84-H113 PolarHBondContact N-O 2.9Å; T84-H113 PolarHBondContact O-N 3.02Å; T84-A312 WeakPolarHBondContact OG1-CA 3.46Å; T84-A312 PolarHBondContact OG1-O 2.95Å; T84-M315 HydrophobicContact CG2-CB 4.06Å; T84-M315 HydrophobicContact CG2-CG 3.84Å; T84-R316 HydrophobicContact CG2-CG 3.78Å; T84-I319 HydrophobicContact CG2-CG1 4.07Å
85D96.4Very high94.3Very high100 Ų10034.2 Ų34.254%0.53520%0.195SC..  trans-97.1161.3-17962-29.3000112.2I87 D112 I319D85-I87 VanDerWaalsContact C-N 3.32Å; D85-I87 PolarHBondContact O-N 3.49Å; D85-D112 VanDerWaalsContact CA-OD1 3.27Å; D85-D112 WeakPolarHBondContact CA-OD1 3.45Å; D85-D112 WeakPolarHBondContact CB-OD1 3.23Å; D85-I319 WeakPolarHBondContact O-CD1 3.37Å
86G94.8Very high94.6Very high19 Ų1937.4 Ų37.420%0.19621%0.21CC..  trans72.118.817300000115.3H89 A90G86-H89 PolarHBondContact O-N 3.25Å; G86-A90 WeakPolarHBondContact O-CB 3.45Å; G86-A90 PolarHBondContact O-N 3.48Å
87I95.5Very high94.6Very high0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-65.8-48.3-175.3-64.8159.9000111.7T84 D85 H89 A90 L91 H113 L306 M315 I319 M350T84-I87 HydrophobicContact CG2-CD1 3.98Å; T84-I87 HydrophobicContact CG2-CG1 3.91Å; T84-I87 VanDerWaalsContact O-CD1 3.3Å; T84-I87 WeakPolarHBondContact O-CD1 3.49Å; D85-I87 VanDerWaalsContact C-N 3.32Å; D85-I87 PolarHBondContact O-N 3.49Å; I87-H89 PolarHBondContact O-N 2.9Å; I87-A90 PolarHBondContact O-N 3.17Å; I87-L91 HydrophobicContact CG2-CD1 4.02Å; I87-L91 HydrophobicContact CG2-CG 4.29Å; I87-L91 VanDerWaalsContact O-CG 3.28Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 2.97Å; I87-H113 HydrophobicContact CD1-CB 3.15Å; I87-L306 HydrophobicContact CD1-CD2 4.38Å; I87-L306 HydrophobicContact CG2-CD2 3.98Å; I87-M315 HydrophobicContact CD1-CG 3.32Å; I87-M315 HydrophobicContact CD1-SD 3.92Å; I87-M315 HydrophobicContact CG1-CG 3.83Å; I87-M315 HydrophobicContact CG1-SD 4.32Å; I87-M315 HydrophobicContact CG2-SD 4.17Å; I87-I319 HydrophobicContact CG1-CD1 4.04Å; I87-M350 HydrophobicContact CG2-CE 4.14Å
88I94.6Very high94.6Very high1 Ų140.6 Ų40.61%0.00525%0.246CC..Hα-helixtrans-63.9-38.4-179.6-67.4170.5000109.7L91 K92 L106 V109 D110 I290I88-L91 PolarHBondContact O-N 2.89Å; I88-K92 HydrophobicContact CG2-CD 4.22Å; I88-K92 WeakPolarHBondContact O-CB 3.02Å; I88-K92 VanDerWaalsContact O-CG 3.32Å; I88-K92 WeakPolarHBondContact O-CG 3.27Å; I88-K92 PolarHBondContact O-N 2.72Å; I88-L106 HydrophobicContact CG2-CB 4.3Å; I88-V109 WeakPolarHBondContact CD1-O 3.44Å; I88-D110 WeakPolarHBondContact CB-OD1 3.01Å; I88-D110 PolarHBondContact N-OD1 3.24Å; I88-I290 HydrophobicContact CD1-CB 4.07Å; I88-I290 HydrophobicContact CD1-CD1 4.47Å; I88-I290 HydrophobicContact CD1-CG2 4.07Å; I88-I290 HydrophobicContact CG1-CB 4.48Å; I88-I290 HydrophobicContact CG1-CD1 3.97Å
89H94.3Very high94.3Very high105 Ų10542.9 Ų42.949%0.48625%0.253SS..Hα-helixtrans-60.9-48.2173.6178.5-94.1000112.3G86 I87 L91 K92 Q93G86-H89 PolarHBondContact O-N 3.25Å; I87-H89 PolarHBondContact O-N 2.9Å; H89-L91 PolarHBondContact O-N 2.89Å; H89-K92 WeakPolarHBondContact O-CB 3.46Å; H89-K92 PolarHBondContact O-N 3.31Å; H89-Q93 PolarHBondContact CE1-NE2 2.93Å; H89-Q93 PolarHBondContact ND1-OE1 2.8Å; H89-Q93 WeakPolarHBondContact O-CG 3.07Å; H89-Q93 PolarHBondContact O-N 3.3Å
90A95.6Very high94.1Very high1 Ų141.5 Ų41.51%0.00824%0.242CC..Hα-helixtrans-60.9-42.5177.200000112.5G86 I87 Q93 L94 V318 I319 A322G86-A90 WeakPolarHBondContact O-CB 3.45Å; G86-A90 PolarHBondContact O-N 3.48Å; I87-A90 PolarHBondContact O-N 3.17Å; A90-Q93 WeakPolarHBondContact O-CB 3.42Å; A90-Q93 PolarHBondContact O-N 2.97Å; A90-L94 WeakPolarHBondContact O-CG 3.15Å; A90-L94 PolarHBondContact O-N 3.01Å; A90-V318 HydrophobicContact CB-CG1 4.48Å; A90-I319 HydrophobicContact CB-CD1 3.45Å; A90-I319 VanDerWaalsContact CB-CD1 3.45Å; A90-A322 HydrophobicContact CB-CB 3.63Å
91L96Very high93.5Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-62.5-44.1174.9-66.5170.3000111.6I87 I88 H89 Q93 L94 I95 L100 W104 L106 I290 V318 L347 M350I87-L91 HydrophobicContact CG2-CD1 4.02Å; I87-L91 HydrophobicContact CG2-CG 4.29Å; I87-L91 VanDerWaalsContact O-CG 3.28Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 2.97Å; I88-L91 PolarHBondContact O-N 2.89Å; H89-L91 PolarHBondContact O-N 2.89Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 2.94Å; L91-L94 PolarHBondContact O-N 3.49Å; L91-I95 WeakPolarHBondContact O-CG1 3.2Å; L91-I95 PolarHBondContact O-N 2.97Å; L91-L100 HydrophobicContact CB-CD2 4.39Å; L91-L100 HydrophobicContact CD2-CD2 3.88Å; L91-W104 HydrophobicContact CD2-CZ3 4.17Å; L91-L106 HydrophobicContact CB-CD1 3.39Å; L91-L106 HydrophobicContact CD1-CD1 4.05Å; L91-L106 HydrophobicContact CD1-CD2 4.32Å; L91-L106 HydrophobicContact CG-CD1 4.39Å; L91-I290 HydrophobicContact CD1-CD1 3.98Å; L91-V318 HydrophobicContact CD2-CG1 3.76Å; L91-V318 HydrophobicContact CG-CG1 4.32Å; L91-L347 HydrophobicContact CD2-CD2 3.48Å; L91-L347 VanDerWaalsContact CD2-CD2 3.48Å; L91-M350 HydrophobicContact CD1-CE 3.59Å; L91-M350 HydrophobicContact CD2-CE 4.32Å; L91-M350 HydrophobicContact CD2-SD 4.32Å; L91-M350 HydrophobicContact CG-CE 4.46Å
92K94.1Very high93.1Very high80 Ų8043 Ų4335%0.34824%0.243SC..Hα-helixtrans-58.4-43.6173.9-75.5177.7178.7-178.10110.6I88 H89 L94 I95 H96 L106I88-K92 HydrophobicContact CG2-CD 4.22Å; I88-K92 WeakPolarHBondContact O-CB 3.02Å; I88-K92 VanDerWaalsContact O-CG 3.32Å; I88-K92 WeakPolarHBondContact O-CG 3.27Å; I88-K92 PolarHBondContact O-N 2.72Å; H89-K92 WeakPolarHBondContact O-CB 3.46Å; H89-K92 PolarHBondContact O-N 3.31Å; K92-L94 PolarHBondContact O-N 3.15Å; K92-I95 WeakPolarHBondContact O-CB 3.49Å; K92-I95 PolarHBondContact O-N 3.32Å; K92-H96 PolarHBondContact O-N 3.37Å; K92-H96 PolarHBondContact O-ND1 3.41Å; K92-L106 WeakPolarHBondContact CE-O 3.43Å; K92-L106 HydrophobicContact CG-CB 4.42Å; K92-L106 HydrophobicContact CG-CD1 4.06Å; K92-L106 PolarHBondContact NZ-O 3.46Å
93Q93.5Very high92.9Very high43 Ų4346.7 Ų46.720%0.20126%0.256CS..Hα-helixtrans-61.3-42176.1-72175.5-41.300112.6H89 A90 L91 I95 H96 S97 A322 I326H89-Q93 PolarHBondContact CE1-NE2 2.93Å; H89-Q93 PolarHBondContact ND1-OE1 2.8Å; H89-Q93 WeakPolarHBondContact O-CG 3.07Å; H89-Q93 PolarHBondContact O-N 3.3Å; A90-Q93 WeakPolarHBondContact O-CB 3.42Å; A90-Q93 PolarHBondContact O-N 2.97Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 2.94Å; Q93-I95 VanDerWaalsContact C-N 3.33Å; Q93-I95 PolarHBondContact O-N 2.78Å; Q93-H96 PolarHBondContact O-N 2.93Å; Q93-S97 WeakPolarHBondContact O-CB 3.41Å; Q93-S97 PolarHBondContact O-N 2.89Å; Q93-S97 PolarHBondContact O-OG 3.44Å; Q93-A322 HydrophobicContact CB-CB 4.23Å; Q93-I326 HydrophobicContact CG-CD1 4.31Å
94L94.4Very high92.6Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-64.6-35.6176.2-70.9165.2000112.4A90 L91 K92 S97 G98 W99 L100 V318 A321 A322 L333 W343A90-L94 WeakPolarHBondContact O-CG 3.15Å; A90-L94 PolarHBondContact O-N 3.01Å; L91-L94 PolarHBondContact O-N 3.49Å; K92-L94 PolarHBondContact O-N 3.15Å; L94-S97 WeakPolarHBondContact CA-OG 3.48Å; L94-S97 PolarHBondContact O-OG 3.1Å; L94-G98 PolarHBondContact O-N 2.96Å; L94-W99 HydrophobicContact CB-CB 4.47Å; L94-W99 HydrophobicContact CD2-CB 3.94Å; L94-W99 PolarHBondContact O-N 3.46Å; L94-L100 HydrophobicContact CB-CB 3.89Å; L94-L100 HydrophobicContact CB-CD2 4.47Å; L94-L100 PolarHBondContact O-N 2.75Å; L94-V318 HydrophobicContact CD1-CG1 3.87Å; L94-A321 HydrophobicContact CD2-CB 4.26Å; L94-A322 HydrophobicContact CD1-CB 4.36Å; L94-A322 HydrophobicContact CD2-CB 4.44Å; L94-A322 HydrophobicContact CG-CB 4.02Å; L94-L333 HydrophobicContact CD2-CD1 4.29Å; L94-W343 HydrophobicContact CD1-CE3 4.23Å; L94-W343 HydrophobicContact CD1-CZ3 3.87Å; L94-W343 HydrophobicContact CD2-CH2 4.29Å; L94-W343 HydrophobicContact CD2-CZ3 4.07Å
95I94Very high92.3Very high30 Ų3049.1 Ų49.115%0.15427%0.266CS..Hα-helixtrans-64.5-50.1171.7-68.5165.7000110.5L91 K92 Q93 S97 G98 L100 W104 L106L91-I95 WeakPolarHBondContact O-CG1 3.2Å; L91-I95 PolarHBondContact O-N 2.97Å; K92-I95 WeakPolarHBondContact O-CB 3.49Å; K92-I95 PolarHBondContact O-N 3.32Å; Q93-I95 VanDerWaalsContact C-N 3.33Å; Q93-I95 PolarHBondContact O-N 2.78Å; I95-S97 VanDerWaalsContact C-N 3.26Å; I95-S97 PolarHBondContact O-N 3Å; I95-G98 PolarHBondContact O-N 2.84Å; I95-L100 HydrophobicContact CD1-CD2 4.4Å; I95-L100 HydrophobicContact CG1-CB 3.89Å; I95-L100 HydrophobicContact CG1-CD2 3.93Å; I95-L100 HydrophobicContact CG1-CG 3.93Å; I95-W104 HydrophobicContact CD1-CB 3.79Å; I95-L106 HydrophobicContact CD1-CD1 3.83Å; I95-L106 HydrophobicContact CD1-CG 4.36Å
96H91.9Very high92Very high163 Ų16344.9 Ų44.976%0.75524%0.244SC*.Hα-helixtrans-64.1-31.3-177.7-76.180.8000113K92 Q93 G98K92-H96 PolarHBondContact O-N 3.37Å; K92-H96 PolarHBondContact O-ND1 3.41Å; Q93-H96 PolarHBondContact O-N 2.93Å; H96-G98 VanDerWaalsContact C-N 3.29Å
97S91.1Very high91.5Very high49 Ų4946 Ų4634%0.34325%0.245SC..THydrogen-bonded Turntrans-83.5-1.6176.253.90000113.7Q93 L94 I95 W99 S325Q93-S97 WeakPolarHBondContact O-CB 3.41Å; Q93-S97 PolarHBondContact O-N 2.89Å; Q93-S97 PolarHBondContact O-OG 3.44Å; L94-S97 WeakPolarHBondContact CA-OG 3.48Å; L94-S97 PolarHBondContact O-OG 3.1Å; I95-S97 VanDerWaalsContact C-N 3.26Å; I95-S97 PolarHBondContact O-N 3Å; S97-W99 VanDerWaalsContact C-N 3.31Å; S97-S325 PolarHBondContact OG-OG 3.32Å
98G89.7Confident90.9Very high65 Ų6546.1 Ų46.167%0.6725%0.246SC*.THydrogen-bonded Turntrans799.5178.100000114.9L94 I95 H96L94-G98 PolarHBondContact O-N 2.96Å; I95-G98 PolarHBondContact O-N 2.84Å; H96-G98 VanDerWaalsContact C-N 3.29Å
99W89.7Confident90.6Very high65 Ų6547.4 Ų47.425%0.24625%0.253CS..SBendtrans-84.4-23178.4-77.2106.8000113.8L94 S97 I331 L333 W343L94-W99 HydrophobicContact CB-CB 4.47Å; L94-W99 HydrophobicContact CD2-CB 3.94Å; L94-W99 PolarHBondContact O-N 3.46Å; S97-W99 VanDerWaalsContact C-N 3.31Å; W99-I331 WeakPolarHBondContact CH2-O 3.26Å; W99-I331 WeakPolarHBondContact CZ2-O 3.31Å; W99-L333 HydrophobicContact CB-CD1 4.45Å; W99-L333 HydrophobicContact CD2-CB 3.84Å; W99-L333 HydrophobicContact CD2-CD1 3.63Å; W99-L333 HydrophobicContact CD2-CG 3.85Å; W99-L333 HydrophobicContact CE3-CB 3.67Å; W99-L333 HydrophobicContact CE3-CD1 4.32Å; W99-L333 HydrophobicContact CE3-CG 4.2Å; W99-L333 HydrophobicContact CG-CD1 3.64Å; W99-L333 HydrophobicContact CG-CG 4.4Å; W99-L333 HydrophobicContact CH2-CB 4.12Å; W99-L333 HydrophobicContact CH2-CG 4.36Å; W99-L333 HydrophobicContact CZ2-CB 4.22Å; W99-L333 HydrophobicContact CZ2-CD1 4.46Å; W99-L333 HydrophobicContact CZ2-CG 3.96Å; W99-L333 HydrophobicContact CZ3-CB 3.8Å; W99-L333 HydrophobicContact CZ3-CG 4.43Å; W99-W343 HydrophobicContact CB-CH2 4.24Å
100L88.5Confident90.5Very high19 Ų1944.4 Ų44.410%0.09924%0.241CC..SBendtrans-119.8151.1177.7-173.456.5000110.5L91 L94 I95 S102 W104 L347L91-L100 HydrophobicContact CB-CD2 4.39Å; L91-L100 HydrophobicContact CD2-CD2 3.88Å; L94-L100 HydrophobicContact CB-CB 3.89Å; L94-L100 HydrophobicContact CB-CD2 4.47Å; L94-L100 PolarHBondContact O-N 2.75Å; I95-L100 HydrophobicContact CD1-CD2 4.4Å; I95-L100 HydrophobicContact CG1-CB 3.89Å; I95-L100 HydrophobicContact CG1-CD2 3.93Å; I95-L100 HydrophobicContact CG1-CG 3.93Å; L100-S102 PolarHBondContact O-N 2.73Å; L100-W104 HydrophobicContact CD1-CD2 4.25Å; L100-W104 HydrophobicContact CD1-CE3 4.45Å; L100-W104 HydrophobicContact CD1-CH2 4.33Å; L100-W104 HydrophobicContact CD1-CZ2 4.11Å; L100-W104 HydrophobicContact CD1-CZ3 4.49Å; L100-W104 HydrophobicContact CD2-CD2 4.11Å; L100-W104 HydrophobicContact CD2-CE3 3.73Å; L100-W104 HydrophobicContact CD2-CZ3 4.01Å; L100-W104 HydrophobicContact CG-CD2 4.24Å; L100-W104 HydrophobicContact CG-CE3 4.36Å; L100-L347 HydrophobicContact CD1-CD1 3.71Å; L100-L347 HydrophobicContact CD1-CD2 4.39Å; L100-L347 HydrophobicContact CD2-CD2 4.3Å
101N82Confident90.5Very high42 Ų4244.4 Ų44.423%0.22524%0.241CC..  trans-53.8121.9179.1-178.12.1000110.6R103 W104 E293N101-R103 PolarHBondContact O-N 3.3Å; N101-R103 WeakPolarHBondContact OD1-CB 3.38Å; N101-R103 WeakPolarHBondContact OD1-CG 3.34Å; N101-R103 PolarHBondContact OD1-N 3.33Å; N101-W104 PolarHBondContact O-N 3.07Å; N101-E293 PolarHBondContact ND2-OE1 2.75Å
102S86.8Confident90.5Very high92 Ų9245.4 Ų45.464%0.64325%0.246SC*.THydrogen-bonded Turntrans-64.8-9.3178.258.50000114.3L100 W104L100-S102 PolarHBondContact O-N 2.73Å; S102-W104 VanDerWaalsContact C-N 3.34Å
103R91.6Very high90.7Very high90 Ų9041.7 Ų41.734%0.3423%0.23SC..THydrogen-bonded Turntrans-87.34.5176-58.1-172.1-67.8-101.4-4.6114.3N101 N105 E293 V294 D295N101-R103 PolarHBondContact O-N 3.3Å; N101-R103 WeakPolarHBondContact OD1-CB 3.38Å; N101-R103 WeakPolarHBondContact OD1-CG 3.34Å; N101-R103 PolarHBondContact OD1-N 3.33Å; R103-N105 PolarHBondContact O-N 3.09Å; R103-E293 WeakPolarHBondContact O-CA 3.14Å; R103-V294 HydrophobicContact CB-CG2 3.84Å; R103-V294 WeakPolarHBondContact CB-O 3.35Å; R103-V294 WeakPolarHBondContact CD-O 3.37Å; R103-V294 HydrophobicContact CG-CG2 4.34Å; R103-V294 PolarHBondContact NE-O 2.63Å; R103-V294 PolarHBondContact O-N 3.11Å; R103-D295 WeakPolarHBondContact CD-O 3.12Å
104W92.8Very high91Very high14 Ų1440 Ų405%0.05322%0.222CC..EExtended strand (participates in β ladder)trans-78.6101170.3-78.934.8000110.2L91 I95 L100 N101 S102 L106 E293 I304 L347 M350 R351L91-W104 HydrophobicContact CD2-CZ3 4.17Å; I95-W104 HydrophobicContact CD1-CB 3.79Å; L100-W104 HydrophobicContact CD1-CD2 4.25Å; L100-W104 HydrophobicContact CD1-CE3 4.45Å; L100-W104 HydrophobicContact CD1-CH2 4.33Å; L100-W104 HydrophobicContact CD1-CZ2 4.11Å; L100-W104 HydrophobicContact CD1-CZ3 4.49Å; L100-W104 HydrophobicContact CD2-CD2 4.11Å; L100-W104 HydrophobicContact CD2-CE3 3.73Å; L100-W104 HydrophobicContact CD2-CZ3 4.01Å; L100-W104 HydrophobicContact CG-CD2 4.24Å; L100-W104 HydrophobicContact CG-CE3 4.36Å; N101-W104 PolarHBondContact O-N 3.07Å; S102-W104 VanDerWaalsContact C-N 3.34Å; W104-L106 HydrophobicContact CE3-CD2 4.45Å; W104-L106 PolarHBondContact O-N 3.35Å; W104-L106 VanDerWaalsContact O-N 3.16Å; W104-E293 PolarHBondContact NE1-OE1 2.93Å; W104-I304 HydrophobicContact CD2-CD1 3.47Å; W104-I304 VanDerWaalsContact CD2-CD1 3.47Å; W104-I304 HydrophobicContact CD2-CG1 3.88Å; W104-I304 VanDerWaalsContact CE2-CD1 3.43Å; W104-I304 HydrophobicContact CE3-CB 4.42Å; W104-I304 HydrophobicContact CE3-CD1 3.71Å; W104-I304 HydrophobicContact CE3-CG1 3.84Å; W104-I304 HydrophobicContact CE3-CG2 3.69Å; W104-I304 HydrophobicContact CG-CD1 4.04Å; W104-I304 HydrophobicContact CG-CG1 4.25Å; W104-I304 HydrophobicContact CH2-CD1 3.92Å; W104-I304 HydrophobicContact CH2-CG2 4.28Å; W104-I304 HydrophobicContact CZ2-CD1 3.68Å; W104-I304 HydrophobicContact CZ3-CD1 3.93Å; W104-I304 HydrophobicContact CZ3-CG1 4.31Å; W104-I304 HydrophobicContact CZ3-CG2 3.53Å; W104-L347 HydrophobicContact CH2-CD2 4.27Å; W104-L347 HydrophobicContact CZ3-CD2 4.36Å; W104-M350 HydrophobicContact CH2-CB 4.37Å; W104-R351 HydrophobicContact CZ2-CB 4.21Å
105N90.9Very high91.1Very high53 Ų5340.1 Ų40.128%0.28322%0.223SC..EExtended strand (participates in β ladder)trans-84.192178.8-67-20.7000110.3R103 I107 G291 V292R103-N105 PolarHBondContact O-N 3.09Å; N105-I107 PolarHBondContact O-N 3.39Å; N105-G291 WeakPolarHBondContact O-CA 3.47Å; N105-V292 WeakPolarHBondContact CB-O 3.39Å; N105-V292 PolarHBondContact N-O 3.43Å; N105-V292 PolarHBondContact O-N 3.17Å
106L89.9Confident91.3Very high12 Ų1239.6 Ų39.66%0.06322%0.222CC..  trans-92.375.7-179.1-59.6175.5000111.7I88 L91 K92 I95 W104 I290 I304I88-L106 HydrophobicContact CG2-CB 4.3Å; L91-L106 HydrophobicContact CB-CD1 3.39Å; L91-L106 HydrophobicContact CD1-CD1 4.05Å; L91-L106 HydrophobicContact CD1-CD2 4.32Å; L91-L106 HydrophobicContact CG-CD1 4.39Å; K92-L106 WeakPolarHBondContact CE-O 3.43Å; K92-L106 HydrophobicContact CG-CB 4.42Å; K92-L106 HydrophobicContact CG-CD1 4.06Å; K92-L106 PolarHBondContact NZ-O 3.46Å; I95-L106 HydrophobicContact CD1-CD1 3.83Å; I95-L106 HydrophobicContact CD1-CG 4.36Å; W104-L106 HydrophobicContact CE3-CD2 4.45Å; W104-L106 PolarHBondContact O-N 3.35Å; W104-L106 VanDerWaalsContact O-N 3.16Å; L106-I290 HydrophobicContact CD2-CD1 4.35Å; L106-I304 HydrophobicContact CD2-CB 4.36Å; L106-I304 HydrophobicContact CD2-CG2 3.98Å
107I83.8Confident91.5Very high43 Ų4333 Ų3322%0.22119%0.192CC..  trans-94.7-1.9-173.168.2139.5000114.3N105 I261 V274 T275N105-I107 PolarHBondContact O-N 3.39Å; I107-I261 VanDerWaalsContact CD1-C 3.44Å; I107-I261 VanDerWaalsContact CD1-CA 3.46Å; I107-I261 HydrophobicContact CD1-CB 3.52Å; I107-I261 HydrophobicContact CD1-CG1 3.77Å; I107-I261 HydrophobicContact CD1-CG2 3.22Å; I107-I261 WeakPolarHBondContact CD1-O 3.27Å; I107-I261 HydrophobicContact CG1-CB 4.03Å; I107-I261 HydrophobicContact CG1-CG1 4.01Å; I107-I261 HydrophobicContact CG1-CG2 3.38Å; I107-I261 HydrophobicContact CG2-CG2 4.43Å; I107-V274 WeakPolarHBondContact O-CA 3.5Å; I107-V274 WeakPolarHBondContact O-CG1 3.42Å; I107-T275 HydrophobicContact CD1-CG2 3.45Å; I107-T275 VanDerWaalsContact CD1-CG2 3.45Å; I107-T275 WeakPolarHBondContact CD1-OG1 3.33Å; I107-T275 WeakPolarHBondContact CG1-OG1 3.39Å; I107-T275 PolarHBondContact O-N 2.87Å
108S84Confident91.7Very high2 Ų235.1 Ų35.11%0.01420%0.204CC..BIsolated β-bridgetrans-67.7146.2175.5-178.30000110.9T275 P277 I290S108-T275 CarbonylContact C-O 3.42Å; S108-T275 VanDerWaalsContact CA-O 3.26Å; S108-T275 WeakPolarHBondContact CA-O 3.22Å; S108-P277 WeakPolarHBondContact OG-CD 3.46Å; S108-I290 WeakPolarHBondContact CB-O 3.42Å
109V89.1Confident91.9Very high28 Ų2832.9 Ų32.917%0.1718%0.175CC..PPolyproline II helixtrans-51.9142158.9179.40000107.7I88 R139 I140 V274 T275 L276I88-V109 WeakPolarHBondContact CD1-O 3.44Å; V109-R139 HydrophobicContact CG1-CB 4.26Å; V109-I140 HydrophobicContact CG1-CG1 4.46Å; V109-I140 HydrophobicContact CG2-CD1 4.21Å; V109-I140 HydrophobicContact CG2-CG1 4.48Å; V109-V274 HydrophobicContact CB-CG1 4.14Å; V109-V274 HydrophobicContact CG2-CB 4.29Å; V109-V274 HydrophobicContact CG2-CG1 3.38Å; V109-T275 PolarHBondContact N-O 3.19Å; V109-L276 HydrophobicContact CG2-CD2 4.27Å
110D91Very high92.2Very high42 Ų4229.9 Ų29.923%0.22516%0.164CC..PPolyproline II helixtrans-55.9143.9177.1-165.822.4000110.6I88 R139I88-D110 WeakPolarHBondContact CB-OD1 3.01Å; I88-D110 PolarHBondContact N-OD1 3.24Å; D110-R139 WeakPolarHBondContact O-CD 3.35Å; D110-R139 IonicContact OD2-NE 3.34Å; D110-R139 IonicContact OD2-NH2 3.95Å
111C95.4Very high92.2Very high0 Ų035.5 Ų35.50%019%0.188CC..  trans-148.7150.6-176.5640000109.6
112D97.4Very high92.5Very high21 Ų2139.7 Ų39.711%0.11221%0.21CC..  trans-85.1140.8176.3-55.5-44.7000109.8D85 F114 C132 S135 R139D85-D112 VanDerWaalsContact CA-OD1 3.27Å; D85-D112 WeakPolarHBondContact CA-OD1 3.45Å; D85-D112 WeakPolarHBondContact CB-OD1 3.23Å; D112-F114 HydrophobicContact CB-CD2 4.42Å; D112-F114 HydrophobicContact CB-CE2 3.69Å; D112-F114 HydrophobicContact CB-CZ 4.12Å; D112-C132 WeakPolarHBondContact O-CA 3.35Å; D112-C132 WeakPolarHBondContact O-CB 3.41Å; D112-C132 PolarHBondContact O-SG 3.41Å; D112-S135 PolarHBondContact N-OG 3.48Å; D112-S135 WeakPolarHBondContact OD2-CB 3.41Å; D112-R139 IonicContact OD1-CZ 3.71Å; D112-R139 IonicContact OD1-NH1 3.53Å; D112-R139 IonicContact OD1-NH2 3.95Å; D112-R139 PolarHBondContact OD1-NH2 2.99Å; D112-R139 IonicContact OD2-CZ 3.87Å; D112-R139 IonicContact OD2-NH1 3.77Å; D112-R139 PolarHBondContact OD2-NH1 3.15Å; D112-R139 IonicContact OD2-NH2 2.96Å; D112-R139 PolarHBondContact OD2-NH2 2.91Å
113H98.2Very high92.8Very high3 Ų335.8 Ų35.81%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-87.7134.9169166.3-101.5000109.4C83 T84 I87 L306 D307 V310 M315C83-H113 CarbonylContact C-O 3.5Å; C83-H113 VanDerWaalsContact CA-O 3.29Å; C83-H113 WeakPolarHBondContact CA-O 3.49Å; T84-H113 PolarHBondContact N-O 2.9Å; T84-H113 PolarHBondContact O-N 3.02Å; I87-H113 HydrophobicContact CD1-CB 3.15Å; H113-L306 HydrophobicContact CB-CD1 4.38Å; H113-D307 PolarHBondContact NE2-O 3.23Å; H113-V310 PolarHBondContact CE1-O 2.99Å; H113-V310 PolarHBondContact NE2-O 3.36Å; H113-M315 HydrophobicContact CB-CE 4.48Å; H113-M315 HydrophobicContact CB-CG 4.35Å
114F98.3Very high93Very high6 Ų631.5 Ų31.53%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-116.5113173.8-68-94.9000108.8C83 D112 R128 Q131 C132 M154C83-F114 HydrophobicContact CB-CD1 4.14Å; C83-F114 HydrophobicContact CB-CE1 3.84Å; C83-F114 HydrophobicContact CB-CZ 4.38Å; D112-F114 HydrophobicContact CB-CD2 4.42Å; D112-F114 HydrophobicContact CB-CE2 3.69Å; D112-F114 HydrophobicContact CB-CZ 4.12Å; F114-R128 HydrophobicContact CB-CB 4.21Å; F114-R128 WeakPolarHBondContact O-CB 3.33Å; F114-Q131 HydrophobicContact CB-CB 4.36Å; F114-Q131 HydrophobicContact CD1-CB 4.07Å; F114-Q131 HydrophobicContact CD2-CB 3.5Å; F114-Q131 HydrophobicContact CE1-CB 4.27Å; F114-Q131 HydrophobicContact CE2-CB 3.73Å; F114-Q131 HydrophobicContact CG-CB 3.7Å; F114-Q131 HydrophobicContact CZ-CB 4.14Å; F114-C132 HydrophobicContact CD2-CB 4.48Å; F114-M154 HydrophobicContact CE1-CG 4.4Å; F114-M154 HydrophobicContact CZ-CB 4.33Å; F114-M154 HydrophobicContact CZ-CG 3.74Å
115A98Very high93.2Very high3 Ų331 Ų313%0.02516%0.164CC..PPolyproline II helixtrans-76.9144.3177.500000111.8T82 R128 P308 V310 A312T82-A115 WeakPolarHBondContact CB-O 3.16Å; T82-A115 WeakPolarHBondContact CG2-O 3.32Å; T82-A115 PolarHBondContact O-N 3.28Å; T82-A115 PolarHBondContact OG1-O 3.26Å; T82-A115 VanDerWaalsContact OG1-O 3.11Å; A115-R128 PolarHBondContact O-NE 3.4Å; A115-P308 CarbonylContact C-O 3.58Å; A115-P308 VanDerWaalsContact CA-O 3.28Å; A115-P308 WeakPolarHBondContact CA-O 3.45Å; A115-V310 VanDerWaalsContact CB-O 3.27Å; A115-V310 WeakPolarHBondContact CB-O 3.28Å; A115-A312 HydrophobicContact CB-CB 4.34Å
116S97.4Very high93.5Very high20 Ų2028.5 Ų28.514%0.1415%0.151CC..PPolyproline II helixtrans-69.5134.2163.1-63.20000109.5P308S116-P308 PolarHBondContact N-O 3.39Å
117E95.7Very high93.9Very high24 Ų2428 Ų2811%0.11215%0.148CC..PPolyproline II helixtrans-76.8158.4168.7-63.1-154.773.700111.8R65 T82 W119 E120R65-E117 IonicContact CZ-OE1 3.14Å; R65-E117 IonicContact CZ-OE2 2.68Å; R65-E117 IonicContact NH1-OE1 3.35Å; R65-E117 IonicContact NH1-OE2 3.49Å; R65-E117 PolarHBondContact NH1-OE2 3.47Å; R65-E117 IonicContact NH2-OE1 2.71Å; R65-E117 PolarHBondContact NH2-OE1 3.19Å; R65-E117 IonicContact NH2-OE2 3.3Å; R65-E117 PolarHBondContact NH2-OE2 3.38Å; T82-E117 HydrophobicContact CG2-CG 3.52Å; E117-W119 VanDerWaalsContact CB-CD1 3.46Å; E117-W119 HydrophobicContact CB-CG 4.27Å; E117-W119 VanDerWaalsContact CB-NE1 3.32Å; E117-W119 PolarHBondContact O-N 3.47Å; E117-W119 PolarHBondContact OE2-NE1 2.95Å; E117-E120 HydrophobicContact CB-CB 4.39Å; E117-E120 HydrophobicContact CB-CG 4.1Å; E117-E120 PolarHBondContact N-OE2 3.5Å; E117-E120 WeakPolarHBondContact O-CA 3.02Å; E117-E120 VanDerWaalsContact O-CB 3.3Å; E117-E120 WeakPolarHBondContact O-CB 3.25Å; E117-E120 PolarHBondContact O-N 2.89Å
118P94.8Very high94.6Very high93 Ų9326.3 Ų26.360%0.60414%0.139SC*.G310 helixtrans-57.7-27.4178.8-27.435.6000114.5W47 E120 K121W47-P118 HydrophobicContact CZ2-CB 4.37Å; W47-P118 HydrophobicContact CZ2-CG 4.02Å; P118-E120 VanDerWaalsContact C-N 3.34Å; P118-K121 WeakPolarHBondContact O-CB 3.31Å
119W95.1Very high95.2Very high18 Ų1826.4 Ų26.47%0.06814%0.139CC..G310 helixtrans-81.7-14.7176.568.9-94.5000113.5I43 A44 W47 I69 E117 K121 F123 W158I43-W119 HydrophobicContact CG2-CB 4.14Å; I43-W119 HydrophobicContact CG2-CE3 4.3Å; A44-W119 HydrophobicContact CB-CD2 3.69Å; A44-W119 HydrophobicContact CB-CE3 3.66Å; A44-W119 HydrophobicContact CB-CG 4.46Å; A44-W119 HydrophobicContact CB-CH2 3.83Å; A44-W119 HydrophobicContact CB-CZ2 3.83Å; A44-W119 HydrophobicContact CB-CZ3 3.73Å; W47-W119 HydrophobicContact CB-CB 3.67Å; W47-W119 HydrophobicContact CB-CG 4.27Å; W47-W119 HydrophobicContact CD2-CB 4.11Å; W47-W119 AromaticContact CD2-CD1 3.7Å; W47-W119 HydrophobicContact CD2-CG 4.25Å; W47-W119 AromaticContact CE3-CD1 3.49Å; W47-W119 VanDerWaalsContact CE3-CD1 3.49Å; W47-W119 HydrophobicContact CE3-CG 4.33Å; W47-W119 HydrophobicContact CG-CB 3.63Å; W47-W119 HydrophobicContact CG-CG 4.22Å; I69-W119 HydrophobicContact CD1-CZ2 4.02Å; E117-W119 VanDerWaalsContact CB-CD1 3.46Å; E117-W119 HydrophobicContact CB-CG 4.27Å; E117-W119 VanDerWaalsContact CB-NE1 3.32Å; E117-W119 PolarHBondContact O-N 3.47Å; E117-W119 PolarHBondContact OE2-NE1 2.95Å; W119-K121 VanDerWaalsContact C-N 3.31Å; W119-F123 HydrophobicContact CE3-CZ 4.36Å; W119-F123 AromaticContact CZ3-CZ 3.93Å; W119-F123 HydrophobicContact CZ3-CZ 3.93Å; W119-W158 AromaticContact CH2-CH2 3.86Å; W119-W158 HydrophobicContact CH2-CH2 3.86Å; W119-W158 HydrophobicContact CH2-CZ2 4.35Å
120E95.8Very high95.7Very high3 Ų325.1 Ų25.11%0.01413%0.131CC..G310 helixtrans-900.4178.6-72.8-177.1152.900113.3E117 P118 N122 F123 A124 R128 I157E117-E120 HydrophobicContact CB-CB 4.39Å; E117-E120 HydrophobicContact CB-CG 4.1Å; E117-E120 PolarHBondContact N-OE2 3.5Å; E117-E120 WeakPolarHBondContact O-CA 3.02Å; E117-E120 VanDerWaalsContact O-CB 3.3Å; E117-E120 WeakPolarHBondContact O-CB 3.25Å; E117-E120 PolarHBondContact O-N 2.89Å; P118-E120 VanDerWaalsContact C-N 3.34Å; E120-N122 PolarHBondContact O-N 2.98Å; E120-F123 VanDerWaalsContact CA-CE1 3.44Å; E120-F123 HydrophobicContact CB-CE1 4.37Å; E120-F123 HydrophobicContact CB-CZ 4.3Å; E120-F123 HydrophobicContact CG-CZ 4.19Å; E120-F123 WeakPolarHBondContact O-CD1 3.43Å; E120-F123 PolarHBondContact O-N 3.3Å; E120-A124 HydrophobicContact CB-CB 3.55Å; E120-A124 HydrophobicContact CG-CB 4.07Å; E120-A124 PolarHBondContact O-N 2.91Å; E120-R128 IonicContact OE1-CZ 3.53Å; E120-R128 IonicContact OE1-NE 3.53Å; E120-R128 IonicContact OE1-NH2 2.72Å; E120-R128 PolarHBondContact OE1-NH2 2.77Å; E120-R128 IonicContact OE2-CZ 3.62Å; E120-R128 IonicContact OE2-NE 2.91Å; E120-R128 PolarHBondContact OE2-NE 2.89Å; E120-R128 VanDerWaalsContact OE2-NE 3.07Å; E120-R128 IonicContact OE2-NH2 3.46Å; E120-R128 PolarHBondContact OE2-NH2 2.96Å; E120-I157 VanDerWaalsContact OE1-CD1 3.28Å; E120-I157 WeakPolarHBondContact OE1-CD1 3.43Å
121K88.6Confident96Very high137 Ų13723.1 Ų23.160%0.59612%0.121SC*.THydrogen-bonded Turntrans-52.8132.4-173.6-170.4177.4179.7174.80111.4P118 W119 F123P118-K121 WeakPolarHBondContact O-CB 3.31Å; W119-K121 VanDerWaalsContact C-N 3.31Å; K121-F123 PolarHBondContact O-N 2.87Å
122N87.4Confident96.1Very high129 Ų12923.2 Ų23.269%0.6912%0.121SC*.THydrogen-bonded Turntrans74.21177.3-44-45.9000117.4E120E120-N122 PolarHBondContact O-N 2.98Å
123F93.2Very high96.1Very high10 Ų1022.2 Ų22.24%0.04412%0.116CC..THydrogen-bonded Turntrans-133.7-25.3176.477-92.8000115.1A40 W119 E120 K121 Y127 T216A40-F123 HydrophobicContact CB-CZ 4.48Å; W119-F123 HydrophobicContact CE3-CZ 4.36Å; W119-F123 AromaticContact CZ3-CZ 3.93Å; W119-F123 HydrophobicContact CZ3-CZ 3.93Å; E120-F123 VanDerWaalsContact CA-CE1 3.44Å; E120-F123 HydrophobicContact CB-CE1 4.37Å; E120-F123 HydrophobicContact CB-CZ 4.3Å; E120-F123 HydrophobicContact CG-CZ 4.19Å; E120-F123 WeakPolarHBondContact O-CD1 3.43Å; E120-F123 PolarHBondContact O-N 3.3Å; K121-F123 PolarHBondContact O-N 2.87Å; F123-Y127 HydrophobicContact CD2-CE2 4.47Å; F123-Y127 WeakPolarHBondContact O-CD2 3.36Å; F123-Y127 WeakPolarHBondContact O-CE2 3.49Å; F123-T216 WeakPolarHBondContact CB-O 3.37Å; F123-T216 HydrophobicContact CD1-CG2 3.94Å; F123-T216 HydrophobicContact CE1-CG2 3.76Å; F123-T216 HydrophobicContact CG-CG2 4.38Å; F123-T216 HydrophobicContact CZ-CG2 4.09Å
124A96.4Very high96.1Very high0 Ų022.1 Ų22.10%012%0.116CC..SBendtrans-83.4-15.3-17200000115.1E120 C126 Y127 R128 I157E120-A124 HydrophobicContact CB-CB 3.55Å; E120-A124 HydrophobicContact CG-CB 4.07Å; E120-A124 PolarHBondContact O-N 2.91Å; A124-C126 VanDerWaalsContact C-N 3.34Å; A124-C126 PolarHBondContact O-N 3.48Å; A124-Y127 WeakPolarHBondContact O-CA 3.37Å; A124-Y127 WeakPolarHBondContact O-CB 3.4Å; A124-Y127 PolarHBondContact O-N 3.18Å; A124-R128 HydrophobicContact CB-CG 4.18Å; A124-R128 WeakPolarHBondContact O-CG 3.49Å; A124-R128 PolarHBondContact O-N 3.46Å; A124-I157 HydrophobicContact CB-CD1 3.77Å
125C96.9Very high96Very high5 Ų521.8 Ų21.83%0.03411%0.114CC..Hα-helixtrans-52.4-48.1-169.556.20000112.7Y127 R128 N129 P308C125-Y127 PolarHBondContact O-N 3.01Å; C125-R128 PolarHBondContact O-N 3.11Å; C125-N129 VanDerWaalsContact O-CB 3.27Å; C125-N129 WeakPolarHBondContact O-CB 3.41Å; C125-N129 PolarHBondContact O-N 2.81Å; C125-N129 PolarHBondContact O-ND2 2.72Å; C125-P308 HydrophobicContact CB-CG 3.68Å
126C97.2Very high95.9Very high0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-64.3-36.7177.6-64.10000113.1A124 N129 A130 L219 M224 S286A124-C126 VanDerWaalsContact C-N 3.34Å; A124-C126 PolarHBondContact O-N 3.48Å; C126-N129 PolarHBondContact O-N 2.81Å; C126-A130 PolarHBondContact O-N 2.85Å; C126-L219 HydrophobicContact CB-CB 3.82Å; C126-L219 HydrophobicContact CB-CG 4.48Å; C126-L219 PolarHBondContact SG-O 2.87Å; C126-M224 HydrophobicContact CB-SD 4.06Å; C126-S286 PolarHBondContact SG-OG 3.47Å
127Y98Very high95.8Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-69-42176.2-57-87.9000111.9F123 A124 C125 N129 A130 Q131 I157 L160 Q161 I212 A217 L219F123-Y127 HydrophobicContact CD2-CE2 4.47Å; F123-Y127 WeakPolarHBondContact O-CD2 3.36Å; F123-Y127 WeakPolarHBondContact O-CE2 3.49Å; A124-Y127 WeakPolarHBondContact O-CA 3.37Å; A124-Y127 WeakPolarHBondContact O-CB 3.4Å; A124-Y127 PolarHBondContact O-N 3.18Å; C125-Y127 PolarHBondContact O-N 3.01Å; Y127-N129 VanDerWaalsContact C-N 3.33Å; Y127-A130 VanDerWaalsContact O-CB 3.32Å; Y127-A130 WeakPolarHBondContact O-CB 3.34Å; Y127-A130 PolarHBondContact O-N 3.42Å; Y127-Q131 WeakPolarHBondContact O-CG 3.45Å; Y127-Q131 PolarHBondContact O-N 2.86Å; Y127-I157 HydrophobicContact CD1-CG2 3.9Å; Y127-I157 HydrophobicContact CD2-CG2 4.15Å; Y127-I157 HydrophobicContact CE1-CG2 4.29Å; Y127-I157 HydrophobicContact CG-CG2 3.79Å; Y127-L160 HydrophobicContact CD1-CB 4.01Å; Y127-L160 HydrophobicContact CD1-CD1 4.36Å; Y127-L160 WeakPolarHBondContact O-CD1 3.24Å; Y127-Q161 HydrophobicContact CD1-CG 4.4Å; Y127-Q161 HydrophobicContact CE1-CG 3.5Å; Y127-I212 WeakPolarHBondContact OH-CD1 3.49Å; Y127-A217 WeakPolarHBondContact CE2-O 3.36Å; Y127-A217 PolarHBondContact OH-O 3.42Å; Y127-L219 HydrophobicContact CD1-CD1 3.83Å; Y127-L219 HydrophobicContact CD1-CG 4.44Å; Y127-L219 HydrophobicContact CE1-CD1 3.49Å; Y127-L219 VanDerWaalsContact CE1-CD1 3.49Å; Y127-L219 HydrophobicContact CE1-CD2 4.16Å; Y127-L219 HydrophobicContact CE1-CG 3.83Å; Y127-L219 HydrophobicContact CE2-CD1 4.35Å; Y127-L219 HydrophobicContact CE2-CG 3.93Å; Y127-L219 HydrophobicContact CG-CD1 4.4Å; Y127-L219 WeakPolarHBondContact OH-CD2 3.39Å
128R98.2Very high95.7Very high9 Ų921.2 Ų21.23%0.03411%0.108CC..Hα-helixtrans-63.4-39.9174.6-65.9-58.7-177.2-173.44.8111.4D78 T82 F114 A115 E120 A124 C125 Q131 C132 P308D78-R128 IonicContact OD2-NH1 3.18Å; D78-R128 PolarHBondContact OD2-NH1 3.22Å; D78-R128 VanDerWaalsContact OD2-NH1 3.11Å; T82-R128 PolarHBondContact OG1-NH1 3.2Å; F114-R128 HydrophobicContact CB-CB 4.21Å; F114-R128 WeakPolarHBondContact O-CB 3.33Å; A115-R128 PolarHBondContact O-NE 3.4Å; E120-R128 IonicContact OE1-CZ 3.53Å; E120-R128 IonicContact OE1-NE 3.53Å; E120-R128 IonicContact OE1-NH2 2.72Å; E120-R128 PolarHBondContact OE1-NH2 2.77Å; E120-R128 IonicContact OE2-CZ 3.62Å; E120-R128 IonicContact OE2-NE 2.91Å; E120-R128 PolarHBondContact OE2-NE 2.89Å; E120-R128 VanDerWaalsContact OE2-NE 3.07Å; E120-R128 IonicContact OE2-NH2 3.46Å; E120-R128 PolarHBondContact OE2-NH2 2.96Å; A124-R128 HydrophobicContact CB-CG 4.18Å; A124-R128 WeakPolarHBondContact O-CG 3.49Å; A124-R128 PolarHBondContact O-N 3.46Å; C125-R128 PolarHBondContact O-N 3.11Å; R128-Q131 VanDerWaalsContact CD-OE1 3.29Å; R128-Q131 WeakPolarHBondContact O-CB 3.2Å; R128-Q131 PolarHBondContact O-N 3.15Å; R128-C132 PolarHBondContact O-N 2.9Å; R128-P308 HydrophobicContact CB-CB 3.91Å; R128-P308 HydrophobicContact CG-CB 4.49Å
129N98.2Very high95.6Very high4 Ų421 Ų212%0.02110%0.095CC..Hα-helixtrans-67.1-35.9173.3-71.6-20.3000112.1C125 C126 Y127 C132 I133 L279 S286 R287 I288C125-N129 VanDerWaalsContact O-CB 3.27Å; C125-N129 WeakPolarHBondContact O-CB 3.41Å; C125-N129 PolarHBondContact O-N 2.81Å; C125-N129 PolarHBondContact O-ND2 2.72Å; C126-N129 PolarHBondContact O-N 2.81Å; Y127-N129 VanDerWaalsContact C-N 3.33Å; N129-C132 WeakPolarHBondContact O-CB 3.28Å; N129-C132 PolarHBondContact O-N 2.75Å; N129-I133 PolarHBondContact O-N 2.92Å; N129-L279 HydrophobicContact CB-CD1 3.9Å; N129-S286 PolarHBondContact ND2-O 2.8Å; N129-S286 PolarHBondContact ND2-OG 3.31Å; N129-R287 PolarHBondContact ND2-N 3.37Å; N129-I288 HydrophobicContact CB-CD1 3.69Å; N129-I288 HydrophobicContact CB-CG1 3.93Å
130A98.2Very high95.4Very high0 Ų020.7 Ų20.70%010%0.095CC..Hα-helixtrans-59.7-44.7169.400000111.6C126 Y127 C132 I133 L134 L160 M224 L227 F228C126-A130 PolarHBondContact O-N 2.85Å; Y127-A130 VanDerWaalsContact O-CB 3.32Å; Y127-A130 WeakPolarHBondContact O-CB 3.34Å; Y127-A130 PolarHBondContact O-N 3.42Å; A130-C132 VanDerWaalsContact C-N 3.31Å; A130-C132 PolarHBondContact O-N 2.9Å; A130-I133 PolarHBondContact O-N 2.94Å; A130-L134 WeakPolarHBondContact O-CB 3.42Å; A130-L134 VanDerWaalsContact O-CG 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.33Å; A130-L134 PolarHBondContact O-N 2.81Å; A130-L160 HydrophobicContact CB-CD1 3.93Å; A130-M224 HydrophobicContact CB-CE 3.48Å; A130-M224 VanDerWaalsContact CB-CE 3.48Å; A130-M224 HydrophobicContact CB-SD 4.38Å; A130-L227 HydrophobicContact CB-CD2 4.39Å; A130-F228 HydrophobicContact CB-CE1 4.39Å; A130-F228 HydrophobicContact CB-CZ 4.25Å
131Q98Very high95.2Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-61-40.4175.6-66.3176.8-47.600111.6D78 F114 Y127 R128 L134 S135 P155 L160D78-Q131 VanDerWaalsContact CG-NE2 3.26Å; D78-Q131 PolarHBondContact OD2-NE2 3.02Å; F114-Q131 HydrophobicContact CB-CB 4.36Å; F114-Q131 HydrophobicContact CD1-CB 4.07Å; F114-Q131 HydrophobicContact CD2-CB 3.5Å; F114-Q131 HydrophobicContact CE1-CB 4.27Å; F114-Q131 HydrophobicContact CE2-CB 3.73Å; F114-Q131 HydrophobicContact CG-CB 3.7Å; F114-Q131 HydrophobicContact CZ-CB 4.14Å; Y127-Q131 WeakPolarHBondContact O-CG 3.45Å; Y127-Q131 PolarHBondContact O-N 2.86Å; R128-Q131 VanDerWaalsContact CD-OE1 3.29Å; R128-Q131 WeakPolarHBondContact O-CB 3.2Å; R128-Q131 PolarHBondContact O-N 3.15Å; Q131-L134 PolarHBondContact O-N 2.85Å; Q131-S135 WeakPolarHBondContact O-CB 3.36Å; Q131-S135 PolarHBondContact O-N 3.17Å; Q131-P155 PolarHBondContact NE2-O 3.21Å; Q131-L160 HydrophobicContact CG-CD1 4.12Å
132C97.9Very high95.2Very high2 Ų222.4 Ų22.41%0.01411%0.112CC..Hα-helixtrans-59.5-50.6174.6-175.70000111.7D112 F114 R128 N129 A130 L134 S135 S136 I288D112-C132 WeakPolarHBondContact O-CA 3.35Å; D112-C132 WeakPolarHBondContact O-CB 3.41Å; D112-C132 PolarHBondContact O-SG 3.41Å; F114-C132 HydrophobicContact CD2-CB 4.48Å; R128-C132 PolarHBondContact O-N 2.9Å; N129-C132 WeakPolarHBondContact O-CB 3.28Å; N129-C132 PolarHBondContact O-N 2.75Å; A130-C132 VanDerWaalsContact C-N 3.31Å; A130-C132 PolarHBondContact O-N 2.9Å; C132-L134 PolarHBondContact O-N 2.94Å; C132-S135 WeakPolarHBondContact O-CB 3.48Å; C132-S135 PolarHBondContact O-N 2.87Å; C132-S135 PolarHBondContact O-OG 3.36Å; C132-S136 PolarHBondContact O-N 3.25Å; C132-I288 HydrophobicContact CB-CG1 3.95Å
133I97.5Very high95.5Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-58.8-49.7175.9-71.3169.6000110.7N129 A130 S135 S136 L137 F228 P277 L279 I288 L365 I367N129-I133 PolarHBondContact O-N 2.92Å; A130-I133 PolarHBondContact O-N 2.94Å; I133-S135 PolarHBondContact O-N 3.44Å; I133-S136 WeakPolarHBondContact O-CB 3.47Å; I133-S136 PolarHBondContact O-N 2.94Å; I133-S136 PolarHBondContact O-OG 3.42Å; I133-L137 HydrophobicContact CG2-CD1 4.15Å; I133-L137 HydrophobicContact CG2-CG 4.41Å; I133-L137 WeakPolarHBondContact O-CG 3.46Å; I133-L137 PolarHBondContact O-N 3.45Å; I133-L137 VanDerWaalsContact O-N 3.09Å; I133-F228 HydrophobicContact CB-CZ 4.07Å; I133-F228 HydrophobicContact CD1-CE2 3.98Å; I133-F228 HydrophobicContact CD1-CZ 3.8Å; I133-F228 HydrophobicContact CG2-CE1 4.2Å; I133-F228 HydrophobicContact CG2-CZ 3.89Å; I133-P277 HydrophobicContact CG1-CG 4.33Å; I133-L279 HydrophobicContact CD1-CB 4.07Å; I133-I288 HydrophobicContact CD1-CD1 3.94Å; I133-I288 HydrophobicContact CG1-CD1 3.86Å; I133-L365 HydrophobicContact CD1-CD2 4.49Å; I133-I367 HydrophobicContact CG2-CD1 3.98Å; I133-I367 HydrophobicContact CG2-CG1 3.76Å
134L97Very high95.4Very high1 Ų121.2 Ų21.21%0.00510%0.098CC..Hα-helixtrans-59.5-34.5179.8-73.2176.3000112.2L22 A130 Q131 C132 S136 L137 F138 F148 M154 P155 L160 F228 I231 I233L22-L134 HydrophobicContact CD1-CD2 4.2Å; A130-L134 WeakPolarHBondContact O-CB 3.42Å; A130-L134 VanDerWaalsContact O-CG 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.33Å; A130-L134 PolarHBondContact O-N 2.81Å; Q131-L134 PolarHBondContact O-N 2.85Å; C132-L134 PolarHBondContact O-N 2.94Å; L134-S136 VanDerWaalsContact C-N 3.33Å; L134-S136 PolarHBondContact O-N 2.83Å; L134-L137 HydrophobicContact CD2-CD1 4.44Å; L134-L137 PolarHBondContact O-N 3.24Å; L134-F138 WeakPolarHBondContact O-CB 3.36Å; L134-F138 PolarHBondContact O-N 3.2Å; L134-F148 HydrophobicContact CB-CZ 4.11Å; L134-F148 HydrophobicContact CD2-CZ 4.38Å; L134-F148 WeakPolarHBondContact O-CZ 3.5Å; L134-M154 HydrophobicContact CB-SD 4.06Å; L134-P155 HydrophobicContact CD1-CG 3.59Å; L134-L160 HydrophobicContact CD1-CD2 4Å; L134-F228 HydrophobicContact CD2-CE1 4.46Å; L134-F228 HydrophobicContact CG-CE1 4.43Å; L134-I231 HydrophobicContact CD2-CD1 3.94Å; L134-I233 HydrophobicContact CD2-CD1 3.92Å
135S96.6Very high95Very high0 Ų028.8 Ų28.80%013%0.131CC..Hα-helixtrans-67-32175.979.80000113.4D112 Q131 C132 I133 R139D112-S135 PolarHBondContact N-OG 3.48Å; D112-S135 WeakPolarHBondContact OD2-CB 3.41Å; Q131-S135 WeakPolarHBondContact O-CB 3.36Å; Q131-S135 PolarHBondContact O-N 3.17Å; C132-S135 WeakPolarHBondContact O-CB 3.48Å; C132-S135 PolarHBondContact O-N 2.87Å; C132-S135 PolarHBondContact O-OG 3.36Å; I133-S135 PolarHBondContact O-N 3.44Å; S135-R139 PolarHBondContact O-NH1 3.3Å
136S95.6Very high94.6Very high0 Ų031 Ų310%014%0.139CC..Hα-helixtrans-70.6-43.3172.875.90000111.1C132 I133 L134 F138 R139 P277C132-S136 PolarHBondContact O-N 3.25Å; I133-S136 WeakPolarHBondContact O-CB 3.47Å; I133-S136 PolarHBondContact O-N 2.94Å; I133-S136 PolarHBondContact O-OG 3.42Å; L134-S136 VanDerWaalsContact C-N 3.33Å; L134-S136 PolarHBondContact O-N 2.83Å; S136-F138 VanDerWaalsContact C-N 3.26Å; S136-F138 PolarHBondContact O-N 2.96Å; S136-R139 WeakPolarHBondContact O-CB 3.39Å; S136-R139 PolarHBondContact O-N 2.81Å; S136-R139 VanDerWaalsContact O-N 3.07Å; S136-P277 VanDerWaalsContact OG-CD 3.31Å; S136-P277 WeakPolarHBondContact OG-CD 3.39Å; S136-P277 WeakPolarHBondContact OG-CG 3.44Å
137L94.6Very high94.3Very high0 Ų031.2 Ų31.20%014%0.139CC..Hα-helixtrans-63.6-34.4177.2-64.7-176.8000111.5I133 L134 R139 I140 F143 L147 I233 L276 I367I133-L137 HydrophobicContact CG2-CD1 4.15Å; I133-L137 HydrophobicContact CG2-CG 4.41Å; I133-L137 WeakPolarHBondContact O-CG 3.46Å; I133-L137 PolarHBondContact O-N 3.45Å; I133-L137 VanDerWaalsContact O-N 3.09Å; L134-L137 HydrophobicContact CD2-CD1 4.44Å; L134-L137 PolarHBondContact O-N 3.24Å; L137-R139 PolarHBondContact O-N 2.76Å; L137-I140 HydrophobicContact CD2-CD1 4.49Å; L137-I140 PolarHBondContact O-N 2.77Å; L137-I140 VanDerWaalsContact O-N 3.12Å; L137-F143 HydrophobicContact CB-CB 4.04Å; L137-F143 HydrophobicContact CB-CG 4.31Å; L137-F143 HydrophobicContact CD1-CD1 4.31Å; L137-F143 HydrophobicContact CD2-CB 4.42Å; L137-F143 HydrophobicContact CD2-CD1 3.75Å; L137-F143 HydrophobicContact CD2-CD2 3.91Å; L137-F143 HydrophobicContact CD2-CE1 3.8Å; L137-F143 HydrophobicContact CD2-CE2 3.96Å; L137-F143 HydrophobicContact CD2-CG 3.79Å; L137-F143 HydrophobicContact CD2-CZ 3.89Å; L137-F143 HydrophobicContact CG-CD1 4.41Å; L137-F143 VanDerWaalsContact O-CB 3.31Å; L137-F143 WeakPolarHBondContact O-CB 3.16Å; L137-L147 HydrophobicContact CB-CD1 4.16Å; L137-L147 HydrophobicContact CD1-CD1 3.89Å; L137-I233 HydrophobicContact CD1-CD1 3.48Å; L137-I233 VanDerWaalsContact CD1-CD1 3.48Å; L137-I233 HydrophobicContact CD1-CG1 4.04Å; L137-I233 HydrophobicContact CD1-CG2 4.4Å; L137-L276 HydrophobicContact CD2-CD1 3.76Å; L137-L276 HydrophobicContact CD2-CD2 3.77Å; L137-L276 HydrophobicContact CD2-CG 4.43Å; L137-I367 HydrophobicContact CD2-CG2 4.31Å
138F93.8Very high93.9Very high34 Ų3431.2 Ų31.215%0.14914%0.14CC..Hα-helixtrans-62-26.9175.4-174.8-95.8000113.3L134 S136 I140 R144 F148 M154L134-F138 WeakPolarHBondContact O-CB 3.36Å; L134-F138 PolarHBondContact O-N 3.2Å; S136-F138 VanDerWaalsContact C-N 3.26Å; S136-F138 PolarHBondContact O-N 2.96Å; F138-I140 VanDerWaalsContact C-N 3.32Å; F138-R144 HydrophobicContact CD2-CG 4.07Å; F138-R144 HydrophobicContact CE2-CG 4.11Å; F138-R144 VanDerWaalsContact CZ-NH2 3.33Å; F138-R144 WeakPolarHBondContact O-CB 3.5Å; F138-R144 WeakPolarHBondContact O-CD 3.46Å; F138-F148 HydrophobicContact CB-CD2 4.42Å; F138-F148 HydrophobicContact CB-CE1 4.47Å; F138-F148 HydrophobicContact CB-CE2 3.87Å; F138-F148 HydrophobicContact CB-CZ 3.9Å; F138-F148 HydrophobicContact CD2-CB 4.17Å; F138-F148 AromaticContact CD2-CD1 3.67Å; F138-F148 HydrophobicContact CD2-CD1 3.67Å; F138-F148 AromaticContact CD2-CD2 3.77Å; F138-F148 HydrophobicContact CD2-CD2 3.77Å; F138-F148 AromaticContact CD2-CE1 3.92Å; F138-F148 HydrophobicContact CD2-CE1 3.92Å; F138-F148 AromaticContact CD2-CE2 4Å; F138-F148 HydrophobicContact CD2-CE2 4Å; F138-F148 AromaticContact CD2-CG 3.59Å; F138-F148 HydrophobicContact CD2-CG 3.59Å; F138-F148 HydrophobicContact CD2-CZ 4.06Å; F138-F148 HydrophobicContact CE2-CB 4.25Å; F138-F148 HydrophobicContact CE2-CD1 4.19Å; F138-F148 HydrophobicContact CE2-CG 4.12Å; F138-F148 HydrophobicContact CG-CE2 4.46Å; F138-F148 HydrophobicContact CG-CZ 4.48Å; F138-M154 HydrophobicContact CB-CE 3.99Å; F138-M154 HydrophobicContact CD2-CE 4.01Å; F138-M154 HydrophobicContact CG-CE 4.01Å
139R92.3Very high93.1Very high88 Ų8832.8 Ų32.833%0.33216%0.158SC..THydrogen-bonded Turntrans-81.6-12.6178.5-70.5162167.685.1-4.6113V109 D110 D112 S135 S136 L137V109-R139 HydrophobicContact CG1-CB 4.26Å; D110-R139 WeakPolarHBondContact O-CD 3.35Å; D110-R139 IonicContact OD2-NE 3.34Å; D110-R139 IonicContact OD2-NH2 3.95Å; D112-R139 IonicContact OD1-CZ 3.71Å; D112-R139 IonicContact OD1-NH1 3.53Å; D112-R139 IonicContact OD1-NH2 3.95Å; D112-R139 PolarHBondContact OD1-NH2 2.99Å; D112-R139 IonicContact OD2-CZ 3.87Å; D112-R139 IonicContact OD2-NH1 3.77Å; D112-R139 PolarHBondContact OD2-NH1 3.15Å; D112-R139 IonicContact OD2-NH2 2.96Å; D112-R139 PolarHBondContact OD2-NH2 2.91Å; S135-R139 PolarHBondContact O-NH1 3.3Å; S136-R139 WeakPolarHBondContact O-CB 3.39Å; S136-R139 PolarHBondContact O-N 2.81Å; S136-R139 VanDerWaalsContact O-N 3.07Å; L137-R139 PolarHBondContact O-N 2.76Å
140I92Very high92.2Very high13 Ų1337.9 Ų37.97%0.06719%0.194CC..SBendtrans-95.9121.1177.7-61.4166.6000109.3V109 L137 F138 E142 F143 R144 I269 L276V109-I140 HydrophobicContact CG1-CG1 4.46Å; V109-I140 HydrophobicContact CG2-CD1 4.21Å; V109-I140 HydrophobicContact CG2-CG1 4.48Å; L137-I140 HydrophobicContact CD2-CD1 4.49Å; L137-I140 PolarHBondContact O-N 2.77Å; L137-I140 VanDerWaalsContact O-N 3.12Å; F138-I140 VanDerWaalsContact C-N 3.32Å; I140-E142 VanDerWaalsContact C-N 3.32Å; I140-E142 HydrophobicContact CG2-CB 4.48Å; I140-E142 WeakPolarHBondContact CG2-OE2 3.49Å; I140-E142 PolarHBondContact O-N 2.76Å; I140-F143 HydrophobicContact CB-CB 4.34Å; I140-F143 HydrophobicContact CB-CD2 3.82Å; I140-F143 HydrophobicContact CD1-CD2 3.77Å; I140-F143 HydrophobicContact CD1-CE2 3.98Å; I140-F143 HydrophobicContact CG1-CD2 4.44Å; I140-F143 HydrophobicContact CG2-CD2 3.6Å; I140-F143 HydrophobicContact CG2-CE2 4.35Å; I140-F143 PolarHBondContact O-N 3.05Å; I140-R144 VanDerWaalsContact O-CB 3.26Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 PolarHBondContact O-N 3.34Å; I140-I269 HydrophobicContact CG2-CD1 3.4Å; I140-L276 HydrophobicContact CD1-CD2 3.54Å
141P90.9Very high91.2Very high80 Ų8039.9 Ų39.952%0.51921%0.206SC..Hα-helixtrans-53.8-42.1-174.7-28.836.3000114.9R144 K145P141-R144 PolarHBondContact O-N 3.16Å; P141-K145 WeakPolarHBondContact O-CB 3.4Å; P141-K145 PolarHBondContact O-N 3.18Å
142E89.9Confident90.4Very high96 Ų9643.9 Ų43.945%0.44923%0.234SC..Hα-helixtrans-64.2-51.2-177.3-63.170.6-153.500110.7I140 R146 I269I140-E142 VanDerWaalsContact C-N 3.32Å; I140-E142 HydrophobicContact CG2-CB 4.48Å; I140-E142 WeakPolarHBondContact CG2-OE2 3.49Å; I140-E142 PolarHBondContact O-N 2.76Å; E142-R146 WeakPolarHBondContact O-CB 3.32Å; E142-R146 PolarHBondContact O-N 2.64Å; E142-I269 WeakPolarHBondContact OE2-CD1 3.19Å
143F92.3Very high90Very high9 Ų945.2 Ų45.24%0.03925%0.246CC..Hα-helixtrans-65.7-42.7175.3-73.3-81.7000111.8L137 I140 K145 R146 L147 L276 L370L137-F143 HydrophobicContact CB-CB 4.04Å; L137-F143 HydrophobicContact CB-CG 4.31Å; L137-F143 HydrophobicContact CD1-CD1 4.31Å; L137-F143 HydrophobicContact CD2-CB 4.42Å; L137-F143 HydrophobicContact CD2-CD1 3.75Å; L137-F143 HydrophobicContact CD2-CD2 3.91Å; L137-F143 HydrophobicContact CD2-CE1 3.8Å; L137-F143 HydrophobicContact CD2-CE2 3.96Å; L137-F143 HydrophobicContact CD2-CG 3.79Å; L137-F143 HydrophobicContact CD2-CZ 3.89Å; L137-F143 HydrophobicContact CG-CD1 4.41Å; L137-F143 VanDerWaalsContact O-CB 3.31Å; L137-F143 WeakPolarHBondContact O-CB 3.16Å; I140-F143 HydrophobicContact CB-CB 4.34Å; I140-F143 HydrophobicContact CB-CD2 3.82Å; I140-F143 HydrophobicContact CD1-CD2 3.77Å; I140-F143 HydrophobicContact CD1-CE2 3.98Å; I140-F143 HydrophobicContact CG1-CD2 4.44Å; I140-F143 HydrophobicContact CG2-CD2 3.6Å; I140-F143 HydrophobicContact CG2-CE2 4.35Å; I140-F143 PolarHBondContact O-N 3.05Å; F143-K145 PolarHBondContact O-N 2.97Å; F143-R146 PolarHBondContact O-N 3.32Å; F143-L147 HydrophobicContact CB-CD1 4.1Å; F143-L147 HydrophobicContact CD1-CD1 4Å; F143-L147 WeakPolarHBondContact O-CB 3.37Å; F143-L147 VanDerWaalsContact O-CG 3.25Å; F143-L147 WeakPolarHBondContact O-CG 3.4Å; F143-L147 PolarHBondContact O-N 2.72Å; F143-L276 HydrophobicContact CE2-CD1 4.34Å; F143-L276 HydrophobicContact CZ-CD1 4.17Å; F143-L370 HydrophobicContact CD1-CD2 3.41Å; F143-L370 VanDerWaalsContact CD1-CD2 3.41Å; F143-L370 HydrophobicContact CD1-CG 3.77Å; F143-L370 HydrophobicContact CE1-CD2 3.74Å; F143-L370 HydrophobicContact CE1-CG 3.77Å; F143-L370 HydrophobicContact CG-CD2 4.34Å
144R91.2Very high89.9Confident105 Ų10546.4 Ų46.440%0.39625%0.252SS..Hα-helixtrans-56.7-50.9180-174.3-177.9179.8159.1-1.3111.6F138 I140 P141 R146 F148 G149F138-R144 HydrophobicContact CD2-CG 4.07Å; F138-R144 HydrophobicContact CE2-CG 4.11Å; F138-R144 VanDerWaalsContact CZ-NH2 3.33Å; F138-R144 WeakPolarHBondContact O-CB 3.5Å; F138-R144 WeakPolarHBondContact O-CD 3.46Å; I140-R144 VanDerWaalsContact O-CB 3.26Å; I140-R144 WeakPolarHBondContact O-CB 3.35Å; I140-R144 PolarHBondContact O-N 3.34Å; P141-R144 PolarHBondContact O-N 3.16Å; R144-R146 VanDerWaalsContact C-N 3.27Å; R144-R146 PolarHBondContact O-N 3.21Å; R144-F148 WeakPolarHBondContact O-CB 3.47Å; R144-F148 PolarHBondContact O-N 3.28Å; R144-F148 VanDerWaalsContact O-N 3.09Å; R144-G149 PolarHBondContact O-N 3.12Å
145K89.2Confident89.8Confident159 Ų15946.6 Ų46.669%0.69125%0.253SS*.Hα-helixtrans-57.3-43.9179-177.8-172.9174.4-162.70110.7P141 F143P141-K145 WeakPolarHBondContact O-CB 3.4Å; P141-K145 PolarHBondContact O-N 3.18Å; F143-K145 PolarHBondContact O-N 2.97Å
146R88.4Confident89.7Confident52 Ų5246.6 Ų46.620%0.19625%0.253CS..Hα-helixtrans-76.2-43.8-173.2-16469.3175.673.917114D16 E142 F143 R144 L370D16-R146 VanDerWaalsContact CG-CZ 3.44Å; D16-R146 VanDerWaalsContact CG-NH2 3.32Å; D16-R146 IonicContact OD1-CZ 3.55Å; D16-R146 IonicContact OD1-NH1 2.66Å; D16-R146 PolarHBondContact OD1-NH1 2.62Å; D16-R146 IonicContact OD1-NH2 3.72Å; D16-R146 PolarHBondContact OD1-NH2 3.25Å; D16-R146 IonicContact OD2-CZ 4Å; D16-R146 IonicContact OD2-NH1 3.03Å; D16-R146 PolarHBondContact OD2-NH1 3.25Å; E142-R146 WeakPolarHBondContact O-CB 3.32Å; E142-R146 PolarHBondContact O-N 2.64Å; F143-R146 PolarHBondContact O-N 3.32Å; R144-R146 VanDerWaalsContact C-N 3.27Å; R144-R146 PolarHBondContact O-N 3.21Å; R146-L370 HydrophobicContact CB-CD1 4.11Å; R146-L370 HydrophobicContact CB-CD2 4.16Å; R146-L370 HydrophobicContact CG-CD1 4.15Å; R146-L370 HydrophobicContact CG-CD2 4.02Å
147L91Very high89.7Confident3 Ų346.9 Ų46.92%0.01625%0.254CS..Hα-helixtrans-92.4-38.1-169.4-56.7176.9000113.1L22 L137 F143 I231 I233 L370L22-L147 WeakPolarHBondContact CB-O 3.07Å; L22-L147 HydrophobicContact CD1-CB 4.33Å; L137-L147 HydrophobicContact CB-CD1 4.16Å; L137-L147 HydrophobicContact CD1-CD1 3.89Å; F143-L147 HydrophobicContact CB-CD1 4.1Å; F143-L147 HydrophobicContact CD1-CD1 4Å; F143-L147 WeakPolarHBondContact O-CB 3.37Å; F143-L147 VanDerWaalsContact O-CG 3.25Å; F143-L147 WeakPolarHBondContact O-CG 3.4Å; F143-L147 PolarHBondContact O-N 2.72Å; L147-I231 WeakPolarHBondContact CD2-O 3.38Å; L147-I233 HydrophobicContact CD1-CD1 3.78Å; L147-I233 HydrophobicContact CD1-CG1 3.75Å; L147-I233 HydrophobicContact CD2-CD1 4.29Å; L147-I233 HydrophobicContact CD2-CG1 3.73Å; L147-I233 HydrophobicContact CG-CG1 4.4Å; L147-L370 HydrophobicContact CD2-CD2 4.13Å; L147-L370 HydrophobicContact CG-CD2 4.38Å
148F89Confident89.7Confident1 Ų147.4 Ų47.40%0.00426%0.256CS..THydrogen-bonded Turntrans-104.3-20.8-170.1-63.7-93.2000113.3L22 L134 F138 R144 S150 V151 M154L22-F148 HydrophobicContact CD1-CD1 3.67Å; L22-F148 HydrophobicContact CD1-CD2 4.35Å; L22-F148 HydrophobicContact CD1-CE1 3.4Å; L22-F148 VanDerWaalsContact CD1-CE1 3.4Å; L22-F148 HydrophobicContact CD1-CE2 4.15Å; L22-F148 HydrophobicContact CD1-CG 4.14Å; L22-F148 HydrophobicContact CD1-CZ 3.68Å; L134-F148 HydrophobicContact CB-CZ 4.11Å; L134-F148 HydrophobicContact CD2-CZ 4.38Å; L134-F148 WeakPolarHBondContact O-CZ 3.5Å; F138-F148 HydrophobicContact CB-CD2 4.42Å; F138-F148 HydrophobicContact CB-CE1 4.47Å; F138-F148 HydrophobicContact CB-CE2 3.87Å; F138-F148 HydrophobicContact CB-CZ 3.9Å; F138-F148 HydrophobicContact CD2-CB 4.17Å; F138-F148 AromaticContact CD2-CD1 3.67Å; F138-F148 HydrophobicContact CD2-CD1 3.67Å; F138-F148 AromaticContact CD2-CD2 3.77Å; F138-F148 HydrophobicContact CD2-CD2 3.77Å; F138-F148 AromaticContact CD2-CE1 3.92Å; F138-F148 HydrophobicContact CD2-CE1 3.92Å; F138-F148 AromaticContact CD2-CE2 4Å; F138-F148 HydrophobicContact CD2-CE2 4Å; F138-F148 AromaticContact CD2-CG 3.59Å; F138-F148 HydrophobicContact CD2-CG 3.59Å; F138-F148 HydrophobicContact CD2-CZ 4.06Å; F138-F148 HydrophobicContact CE2-CB 4.25Å; F138-F148 HydrophobicContact CE2-CD1 4.19Å; F138-F148 HydrophobicContact CE2-CG 4.12Å; F138-F148 HydrophobicContact CG-CE2 4.46Å; F138-F148 HydrophobicContact CG-CZ 4.48Å; R144-F148 WeakPolarHBondContact O-CB 3.47Å; R144-F148 PolarHBondContact O-N 3.28Å; R144-F148 VanDerWaalsContact O-N 3.09Å; F148-S150 PolarHBondContact O-N 3Å; F148-V151 PolarHBondContact O-N 3.22Å; F148-M154 HydrophobicContact CD1-CE 4.13Å; F148-M154 HydrophobicContact CE1-CE 3.29Å; F148-M154 HydrophobicContact CE1-SD 4.11Å; F148-M154 HydrophobicContact CZ-CE 3.77Å; F148-M154 HydrophobicContact CZ-SD 4.39Å
149G81.9Confident89.7Confident41 Ų4146.1 Ų46.142%0.42325%0.251SS..THydrogen-bonded Turntrans55.1-121-175.800000111.3R144R144-G149 PolarHBondContact O-N 3.12Å
150S78.2Confident89.8Confident112 Ų11242 Ų4278%0.78324%0.235SC*.THydrogen-bonded Turntrans-89.1-7.9176.457.40000114.4F148F148-S150 PolarHBondContact O-N 3Å
151V77.3Confident89.9Confident41 Ų4141.3 Ų41.325%0.24823%0.232CC..  trans-79.2129.6-177.7172.70000109.9N23 F148 A153N23-V151 HydrophobicContact CB-CB 4.15Å; N23-V151 HydrophobicContact CB-CG2 3.47Å; N23-V151 VanDerWaalsContact CB-CG2 3.47Å; F148-V151 PolarHBondContact O-N 3.22Å; V151-A153 HydrophobicContact CG1-CB 4.16Å
152S82.8Confident90Very high84 Ų8438.1 Ų38.159%0.58721%0.212SC*.  trans-113.740.3178.3-61.60000111.5
153A89.4Confident90.2Very high31 Ų3133.6 Ų33.626%0.25619%0.191SC..SBendtrans-136.9148.8-179.500000110.5I77 V151I77-A153 HydrophobicContact CG2-CB 3.86Å; V151-A153 HydrophobicContact CG1-CB 4.16Å
154M95Very high90.3Very high25 Ų2533.2 Ų33.212%0.12319%0.189CC..PPolyproline II helixtrans-76.3143.3174.8-72.7-57.6104.700111.2D78 F114 L134 F138 F148D78-M154 HydrophobicContact CB-CB 4.27Å; D78-M154 PolarHBondContact N-O 3.44Å; F114-M154 HydrophobicContact CE1-CG 4.4Å; F114-M154 HydrophobicContact CZ-CB 4.33Å; F114-M154 HydrophobicContact CZ-CG 3.74Å; L134-M154 HydrophobicContact CB-SD 4.06Å; F138-M154 HydrophobicContact CB-CE 3.99Å; F138-M154 HydrophobicContact CD2-CE 4.01Å; F138-M154 HydrophobicContact CG-CE 4.01Å; F148-M154 HydrophobicContact CD1-CE 4.13Å; F148-M154 HydrophobicContact CE1-CE 3.29Å; F148-M154 HydrophobicContact CE1-SD 4.11Å; F148-M154 HydrophobicContact CZ-CE 3.77Å; F148-M154 HydrophobicContact CZ-SD 4.39Å
155P94.9Very high90.4Very high5 Ų528.5 Ų28.53%0.03217%0.172CC..BIsolated β-bridgetrans-65140.6173.229.1-35.5000110.3L22 G76 Q131 L134 K159 L160L22-P155 HydrophobicContact CD2-CB 4.32Å; L22-P155 HydrophobicContact CD2-CG 4.08Å; G76-P155 CarbonylContact O-C 3.47Å; G76-P155 WeakPolarHBondContact O-CA 3.39Å; Q131-P155 PolarHBondContact NE2-O 3.21Å; L134-P155 HydrophobicContact CD1-CG 3.59Å; P155-K159 HydrophobicContact CB-CB 3.92Å; P155-K159 HydrophobicContact CB-CG 3.6Å; P155-L160 HydrophobicContact CB-CD2 4.02Å; P155-L160 HydrophobicContact CB-CG 4.32Å; P155-L160 HydrophobicContact CG-CD2 3.63Å; P155-L160 HydrophobicContact CG-CG 4.23Å
156S94.7Very high90.5Very high0 Ų022.8 Ų22.80%015%0.152CC..PPolyproline II helixtrans-70.5164.9170.170.50000111.3S72 G76 W158 K159 L160S72-S156 WeakPolarHBondContact O-CB 3.44Å; S72-S156 PolarHBondContact O-OG 2.95Å; G76-S156 WeakPolarHBondContact CA-OG 3.41Å; G76-S156 PolarHBondContact O-N 3.29Å; S156-W158 PolarHBondContact O-N 2.84Å; S156-K159 WeakPolarHBondContact O-CA 3.35Å; S156-K159 WeakPolarHBondContact O-CB 3.48Å; S156-K159 PolarHBondContact O-N 2.8Å; S156-K159 PolarHBondContact OG-N 2.93Å; S156-L160 PolarHBondContact O-N 2.86Å
157I95.5Very high90.7Very high6 Ų620.3 Ų20.33%0.03114%0.142CC..Hα-helixtrans-53-43.7171.8-62.5-173.9000111.2E120 A124 Y127 K159 L160 Q161E120-I157 VanDerWaalsContact OE1-CD1 3.28Å; E120-I157 WeakPolarHBondContact OE1-CD1 3.43Å; A124-I157 HydrophobicContact CB-CD1 3.77Å; Y127-I157 HydrophobicContact CD1-CG2 3.9Å; Y127-I157 HydrophobicContact CD2-CG2 4.15Å; Y127-I157 HydrophobicContact CE1-CG2 4.29Å; Y127-I157 HydrophobicContact CG-CG2 3.79Å; I157-K159 VanDerWaalsContact C-N 3.3Å; I157-K159 PolarHBondContact O-N 3.42Å; I157-L160 WeakPolarHBondContact O-CB 3.43Å; I157-L160 PolarHBondContact O-N 2.79Å; I157-L160 VanDerWaalsContact O-N 3.15Å; I157-Q161 HydrophobicContact CG2-CG 4.39Å; I157-Q161 WeakPolarHBondContact O-CG 3.41Å; I157-Q161 PolarHBondContact O-N 3.36Å
158W94.2Very high90.9Very high10 Ų1021.1 Ų21.14%0.03815%0.145CC..Hα-helixtrans-62.8-34176.8-66.6-85.8000113.3A40 Q41 I69 V73 W119 S156 A162 D214A40-W158 HydrophobicContact CB-CZ2 4.47Å; Q41-W158 HydrophobicContact CB-CZ2 4.48Å; I69-W158 HydrophobicContact CD1-CH2 3.86Å; I69-W158 HydrophobicContact CD1-CZ3 4.4Å; I69-W158 HydrophobicContact CG2-CH2 4.29Å; V73-W158 HydrophobicContact CG2-CD2 3.57Å; V73-W158 HydrophobicContact CG2-CE3 3.99Å; V73-W158 HydrophobicContact CG2-CG 3.94Å; V73-W158 HydrophobicContact CG2-CH2 4.35Å; V73-W158 HydrophobicContact CG2-CZ2 3.94Å; V73-W158 HydrophobicContact CG2-CZ3 4.37Å; W119-W158 AromaticContact CH2-CH2 3.86Å; W119-W158 HydrophobicContact CH2-CH2 3.86Å; W119-W158 HydrophobicContact CH2-CZ2 4.35Å; S156-W158 PolarHBondContact O-N 2.84Å; W158-A162 WeakPolarHBondContact O-CB 3.34Å; W158-A162 PolarHBondContact O-N 3.15Å; W158-D214 PolarHBondContact NE1-OD1 3.39Å
159K92.9Very high90.9Very high7 Ų724.2 Ų24.23%0.0317%0.167CC..Hα-helixtrans-67.9-44.9172.8176.261176.8175.60110.5H21 E24 P26 G76 P155 S156 I157 Q161 A162 L163H21-K159 PolarHBondContact O-NZ 3.35Å; E24-K159 WeakPolarHBondContact O-CE 3.49Å; E24-K159 PolarHBondContact O-NZ 3.49Å; P26-K159 HydrophobicContact CB-CD 3.75Å; P26-K159 HydrophobicContact CG-CD 4.18Å; G76-K159 VanDerWaalsContact O-CB 3.31Å; G76-K159 WeakPolarHBondContact O-CB 3.32Å; P155-K159 HydrophobicContact CB-CB 3.92Å; P155-K159 HydrophobicContact CB-CG 3.6Å; S156-K159 WeakPolarHBondContact O-CA 3.35Å; S156-K159 WeakPolarHBondContact O-CB 3.48Å; S156-K159 PolarHBondContact O-N 2.8Å; S156-K159 PolarHBondContact OG-N 2.93Å; I157-K159 VanDerWaalsContact C-N 3.3Å; I157-K159 PolarHBondContact O-N 3.42Å; K159-Q161 VanDerWaalsContact C-N 3.34Å; K159-Q161 PolarHBondContact O-N 3.46Å; K159-A162 PolarHBondContact O-N 2.96Å; K159-L163 HydrophobicContact CD-CD1 4.45Å; K159-L163 HydrophobicContact CD-CD2 4.45Å; K159-L163 HydrophobicContact CD-CG 4.23Å; K159-L163 HydrophobicContact CG-CD1 4.2Å; K159-L163 HydrophobicContact CG-CG 4.44Å; K159-L163 VanDerWaalsContact O-CG 3.25Å; K159-L163 WeakPolarHBondContact O-CG 3.49Å; K159-L163 PolarHBondContact O-N 3.36Å
160L95.8Very high91.4Very high1 Ų125.1 Ų25.11%0.00516%0.162CC..Hα-helixtrans-59.3-43.9176-63.2177.5000111.8Y127 A130 Q131 L134 P155 S156 I157 A162 L163 L164 L227Y127-L160 HydrophobicContact CD1-CB 4.01Å; Y127-L160 HydrophobicContact CD1-CD1 4.36Å; Y127-L160 WeakPolarHBondContact O-CD1 3.24Å; A130-L160 HydrophobicContact CB-CD1 3.93Å; Q131-L160 HydrophobicContact CG-CD1 4.12Å; L134-L160 HydrophobicContact CD1-CD2 4Å; P155-L160 HydrophobicContact CB-CD2 4.02Å; P155-L160 HydrophobicContact CB-CG 4.32Å; P155-L160 HydrophobicContact CG-CD2 3.63Å; P155-L160 HydrophobicContact CG-CG 4.23Å; S156-L160 PolarHBondContact O-N 2.86Å; I157-L160 WeakPolarHBondContact O-CB 3.43Å; I157-L160 PolarHBondContact O-N 2.79Å; I157-L160 VanDerWaalsContact O-N 3.15Å; L160-A162 PolarHBondContact O-N 2.86Å; L160-L163 HydrophobicContact CD2-CD1 4.28Å; L160-L163 PolarHBondContact O-N 2.99Å; L160-L164 PolarHBondContact O-N 3.31Å; L160-L227 HydrophobicContact CB-CD2 4.38Å; L160-L227 HydrophobicContact CD2-CD1 4.44Å; L160-L227 HydrophobicContact CD2-CD2 4.27Å
161Q94.6Very high92Very high0 Ų021.6 Ų21.60%014%0.144CC..Hα-helixtrans-58.7-45.5173.3-73.2177.2-22.200112.1Y127 I157 K159 L163 L164 E165 I212 V213 S215Y127-Q161 HydrophobicContact CD1-CG 4.4Å; Y127-Q161 HydrophobicContact CE1-CG 3.5Å; I157-Q161 HydrophobicContact CG2-CG 4.39Å; I157-Q161 WeakPolarHBondContact O-CG 3.41Å; I157-Q161 PolarHBondContact O-N 3.36Å; K159-Q161 VanDerWaalsContact C-N 3.34Å; K159-Q161 PolarHBondContact O-N 3.46Å; Q161-L163 VanDerWaalsContact C-N 3.33Å; Q161-L163 PolarHBondContact O-N 3.28Å; Q161-L164 PolarHBondContact O-N 3Å; Q161-E165 WeakPolarHBondContact O-CB 3.46Å; Q161-E165 PolarHBondContact O-N 2.76Å; Q161-I212 HydrophobicContact CB-CG2 4.17Å; Q161-I212 VanDerWaalsContact CD-O 3.3Å; Q161-I212 PolarHBondContact NE2-O 2.95Å; Q161-I212 WeakPolarHBondContact O-CG2 3.39Å; Q161-I212 PolarHBondContact OE1-O 2.92Å; Q161-V213 HydrophobicContact CB-CG2 4.38Å; Q161-S215 PolarHBondContact NE2-O 3.47Å
162A92.7Very high92.9Very high13 Ų1320 Ų2011%0.10713%0.133CC..Hα-helixtrans-66.7-33.6178.600000113P26 L28 W158 K159 L160 S166 V213P26-A162 HydrophobicContact CB-CB 3.96Å; L28-A162 HydrophobicContact CD2-CB 3.97Å; W158-A162 WeakPolarHBondContact O-CB 3.34Å; W158-A162 PolarHBondContact O-N 3.15Å; K159-A162 PolarHBondContact O-N 2.96Å; L160-A162 PolarHBondContact O-N 2.86Å; A162-S166 WeakPolarHBondContact O-CB 3.14Å; A162-S166 PolarHBondContact O-N 2.86Å; A162-V213 HydrophobicContact CB-CG2 4.17Å
163L93.8Very high93.6Very high1 Ų116.1 Ų16.11%0.00511%0.106CC..Hα-helixtrans-64.9-48.7173.6-66.8167.6000110.5M20 L22 K159 L160 Q161 S166 A167 L227 I231M20-L163 HydrophobicContact CB-CD2 4.12Å; M20-L163 HydrophobicContact CE-CB 4.32Å; M20-L163 HydrophobicContact CE-CD2 3.57Å; M20-L163 HydrophobicContact CE-CG 4.46Å; M20-L163 HydrophobicContact SD-CD2 4.45Å; L22-L163 HydrophobicContact CD2-CD1 3.58Å; K159-L163 HydrophobicContact CD-CD1 4.45Å; K159-L163 HydrophobicContact CD-CD2 4.45Å; K159-L163 HydrophobicContact CD-CG 4.23Å; K159-L163 HydrophobicContact CG-CD1 4.2Å; K159-L163 HydrophobicContact CG-CG 4.44Å; K159-L163 VanDerWaalsContact O-CG 3.25Å; K159-L163 WeakPolarHBondContact O-CG 3.49Å; K159-L163 PolarHBondContact O-N 3.36Å; L160-L163 HydrophobicContact CD2-CD1 4.28Å; L160-L163 PolarHBondContact O-N 2.99Å; Q161-L163 VanDerWaalsContact C-N 3.33Å; Q161-L163 PolarHBondContact O-N 3.28Å; L163-S166 PolarHBondContact O-N 3.2Å; L163-A167 PolarHBondContact O-N 2.81Å; L163-L227 HydrophobicContact CB-CD1 3.63Å; L163-L227 HydrophobicContact CD1-CD1 4.26Å; L163-I231 HydrophobicContact CD1-CG2 4.17Å; L163-I231 HydrophobicContact CD2-CG2 4.2Å
164L94.8Very high93.8Very high0 Ų018.9 Ų18.90%012%0.122CC..Hα-helixtrans-64.6-43.7179.4-179.758.4000112.7L160 Q161 S166 A167 W168 I212 L219 D223 L227L160-L164 PolarHBondContact O-N 3.31Å; Q161-L164 PolarHBondContact O-N 3Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 3.45Å; L164-A167 VanDerWaalsContact O-CB 3.3Å; L164-A167 WeakPolarHBondContact O-CB 3.27Å; L164-A167 PolarHBondContact O-N 3.41Å; L164-A167 VanDerWaalsContact O-N 3.1Å; L164-W168 HydrophobicContact CD1-CD2 4.29Å; L164-W168 HydrophobicContact CD1-CZ2 3.96Å; L164-W168 HydrophobicContact CD2-CH2 3.89Å; L164-W168 HydrophobicContact CD2-CZ2 3.65Å; L164-W168 HydrophobicContact CG-CD2 4.13Å; L164-W168 HydrophobicContact CG-CE3 4.41Å; L164-W168 HydrophobicContact CG-CH2 4.01Å; L164-W168 HydrophobicContact CG-CZ2 3.66Å; L164-W168 HydrophobicContact CG-CZ3 4.36Å; L164-W168 PolarHBondContact O-N 2.67Å; L164-I212 HydrophobicContact CD2-CD1 3.83Å; L164-L219 HydrophobicContact CD2-CD1 4.09Å; L164-L219 HydrophobicContact CD2-CD2 3.5Å; L164-L219 VanDerWaalsContact CD2-CD2 3.5Å; L164-L219 HydrophobicContact CD2-CG 4.44Å; L164-D223 WeakPolarHBondContact CD1-O 3.27Å; L164-D223 HydrophobicContact CD2-CB 4.03Å; L164-L227 HydrophobicContact CB-CD1 4.36Å; L164-L227 HydrophobicContact CD1-CB 4.26Å
165E92.5Very high93.8Very high6 Ų622.8 Ų22.83%0.02814%0.142CC..Hα-helixtrans-55.3-43.7174.6-175.275-130.400111.5Y29 Q161 W168 S169 L209 V210 G211 I212 V213Y29-E165 PolarHBondContact OH-OE2 3.09Å; Q161-E165 WeakPolarHBondContact O-CB 3.46Å; Q161-E165 PolarHBondContact O-N 2.76Å; E165-W168 PolarHBondContact O-N 3.36Å; E165-S169 PolarHBondContact O-N 2.95Å; E165-S169 VanDerWaalsContact O-N 3.1Å; E165-L209 HydrophobicContact CG-CD2 3.68Å; E165-L209 VanDerWaalsContact OE1-C 3.3Å; E165-L209 WeakPolarHBondContact OE1-CA 3.38Å; E165-L209 WeakPolarHBondContact OE1-CB 3.34Å; E165-L209 WeakPolarHBondContact OE1-CD2 3.49Å; E165-V210 PolarHBondContact OE1-N 3.2Å; E165-G211 PolarHBondContact OE1-N 2.71Å; E165-G211 PolarHBondContact OE2-N 3.23Å; E165-I212 HydrophobicContact CB-CG2 3.93Å; E165-I212 WeakPolarHBondContact OE2-CG2 3.49Å; E165-I212 PolarHBondContact OE2-N 3.12Å; E165-V213 HydrophobicContact CB-CG2 4.16Å; E165-V213 HydrophobicContact CG-CG2 4.32Å
166S91.3Very high93.8Very high39 Ų3922.6 Ų22.627%0.27314%0.141SC..Hα-helixtrans-69.8-38.5176.7-173.20000111.9M20 A162 L163 L164 W168 S169 L170M20-S166 WeakPolarHBondContact CE-OG 3.36Å; M20-S166 VanDerWaalsContact SD-CB 3.51Å; M20-S166 PolarHBondContact SD-OG 2.9Å; A162-S166 WeakPolarHBondContact O-CB 3.14Å; A162-S166 PolarHBondContact O-N 2.86Å; L163-S166 PolarHBondContact O-N 3.2Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 3.45Å; S166-W168 VanDerWaalsContact C-N 3.3Å; S166-W168 PolarHBondContact O-N 3.46Å; S166-S169 WeakPolarHBondContact CA-OG 2.79Å; S166-S169 PolarHBondContact O-N 3.28Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.19Å; S166-L170 WeakPolarHBondContact O-CG 3.22Å; S166-L170 PolarHBondContact O-N 2.99Å
167A93.2Very high93.8Very high0 Ų023.1 Ų23.10%015%0.146CC..Hα-helixtrans-54.9-48.2173.600000110.7L163 L164 S169 L170 G171 F172 S230L163-A167 PolarHBondContact O-N 2.81Å; L164-A167 VanDerWaalsContact O-CB 3.3Å; L164-A167 WeakPolarHBondContact O-CB 3.27Å; L164-A167 PolarHBondContact O-N 3.41Å; L164-A167 VanDerWaalsContact O-N 3.1Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.31Å; A167-L170 CarbonylContact O-C 3.51Å; A167-L170 WeakPolarHBondContact O-CA 3.33Å; A167-L170 WeakPolarHBondContact O-CB 3.46Å; A167-L170 PolarHBondContact O-N 3.36Å; A167-G171 PolarHBondContact O-N 3.13Å; A167-F172 HydrophobicContact CB-CB 4.04Å; A167-F172 HydrophobicContact CB-CD2 4.17Å; A167-F172 HydrophobicContact CB-CG 4.08Å; A167-F172 WeakPolarHBondContact O-CB 3.32Å; A167-F172 VanDerWaalsContact O-CD2 3.27Å; A167-F172 WeakPolarHBondContact O-CD2 3.29Å; A167-F172 PolarHBondContact O-N 3.2Å; A167-S230 VanDerWaalsContact CB-CB 3.45Å
168W94Very high93.8Very high20 Ų2026.5 Ų26.58%0.07617%0.17CC..Hα-helixtrans-61-41.1176-65-31.3000112.9L164 E165 S166 L170 G171 F172 A177 I180 V210 I212 D223L164-W168 HydrophobicContact CD1-CD2 4.29Å; L164-W168 HydrophobicContact CD1-CZ2 3.96Å; L164-W168 HydrophobicContact CD2-CH2 3.89Å; L164-W168 HydrophobicContact CD2-CZ2 3.65Å; L164-W168 HydrophobicContact CG-CD2 4.13Å; L164-W168 HydrophobicContact CG-CE3 4.41Å; L164-W168 HydrophobicContact CG-CH2 4.01Å; L164-W168 HydrophobicContact CG-CZ2 3.66Å; L164-W168 HydrophobicContact CG-CZ3 4.36Å; L164-W168 PolarHBondContact O-N 2.67Å; E165-W168 PolarHBondContact O-N 3.36Å; S166-W168 VanDerWaalsContact C-N 3.3Å; S166-W168 PolarHBondContact O-N 3.46Å; W168-L170 PolarHBondContact O-N 2.92Å; W168-G171 PolarHBondContact O-N 3.07Å; W168-F172 VanDerWaalsContact CD1-O 3.3Å; W168-A177 HydrophobicContact CB-CB 3.92Å; W168-A177 HydrophobicContact CD2-CB 3.72Å; W168-A177 HydrophobicContact CE3-CB 4.31Å; W168-A177 HydrophobicContact CG-CB 3.55Å; W168-I180 HydrophobicContact CH2-CB 3.77Å; W168-I180 HydrophobicContact CH2-CG1 3.85Å; W168-I180 HydrophobicContact CH2-CG2 3.78Å; W168-I180 HydrophobicContact CZ2-CB 4.37Å; W168-I180 HydrophobicContact CZ2-CG1 4.09Å; W168-I180 HydrophobicContact CZ3-CG2 4.31Å; W168-V210 HydrophobicContact CD2-CG2 4.3Å; W168-V210 HydrophobicContact CE3-CB 3.76Å; W168-V210 HydrophobicContact CE3-CG1 4.1Å; W168-V210 HydrophobicContact CE3-CG2 3.54Å; W168-V210 HydrophobicContact CH2-CG1 4.29Å; W168-V210 HydrophobicContact CZ3-CB 3.7Å; W168-V210 HydrophobicContact CZ3-CG1 3.56Å; W168-V210 HydrophobicContact CZ3-CG2 3.91Å; W168-I212 HydrophobicContact CH2-CB 4.32Å; W168-I212 HydrophobicContact CH2-CD1 3.75Å; W168-I212 HydrophobicContact CH2-CG1 4.45Å; W168-I212 HydrophobicContact CH2-CG2 4.49Å; W168-I212 HydrophobicContact CZ3-CB 3.87Å; W168-I212 HydrophobicContact CZ3-CD1 4.13Å; W168-I212 HydrophobicContact CZ3-CG1 4.49Å; W168-I212 HydrophobicContact CZ3-CG2 3.87Å; W168-D223 WeakPolarHBondContact CZ2-OD1 3.47Å
169S90.3Very high93.7Very high67 Ų6731.9 Ų31.947%0.46920%0.195SC..Hα-helixtrans-64.8-23.4174.675.50000113.7E165 S166 A167 G171E165-S169 PolarHBondContact O-N 2.95Å; E165-S169 VanDerWaalsContact O-N 3.1Å; S166-S169 WeakPolarHBondContact CA-OG 2.79Å; S166-S169 PolarHBondContact O-N 3.28Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.19Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.31Å; S169-G171 VanDerWaalsContact C-N 3.31Å
170L91Very high93.7Very high59 Ų5932.2 Ų32.231%0.30920%0.197SC..THydrogen-bonded Turntrans-86.70.1173-68.1171.6000112.9S19 M20 S166 A167 W168 F172 M381S19-L170 WeakPolarHBondContact OG-CD1 3.47Å; M20-L170 HydrophobicContact CG-CD1 4.49Å; S166-L170 WeakPolarHBondContact O-CG 3.22Å; S166-L170 PolarHBondContact O-N 2.99Å; A167-L170 CarbonylContact O-C 3.51Å; A167-L170 WeakPolarHBondContact O-CA 3.33Å; A167-L170 WeakPolarHBondContact O-CB 3.46Å; A167-L170 PolarHBondContact O-N 3.36Å; W168-L170 PolarHBondContact O-N 2.92Å; L170-F172 HydrophobicContact CB-CD2 4.17Å; L170-F172 HydrophobicContact CB-CE2 4.34Å; L170-M381 VanDerWaalsContact O-CE 3.3Å; L170-M381 WeakPolarHBondContact O-CE 3.36Å
171G92.4Very high93.5Very high39 Ų3933.3 Ų33.340%0.40221%0.205SC..THydrogen-bonded Turntrans92.512.9175.300000115.2A167 W168 S169A167-G171 PolarHBondContact O-N 3.13Å; W168-G171 PolarHBondContact O-N 3.07Å; S169-G171 VanDerWaalsContact C-N 3.31Å
172F95.2Very high93.4Very high6 Ų636.8 Ų36.83%0.02623%0.23CC..SBendtrans-69.3140.6166.3-70.7-109000109.6A167 W168 L170 L377 A380 M381A167-F172 HydrophobicContact CB-CB 4.04Å; A167-F172 HydrophobicContact CB-CD2 4.17Å; A167-F172 HydrophobicContact CB-CG 4.08Å; A167-F172 WeakPolarHBondContact O-CB 3.32Å; A167-F172 VanDerWaalsContact O-CD2 3.27Å; A167-F172 WeakPolarHBondContact O-CD2 3.29Å; A167-F172 PolarHBondContact O-N 3.2Å; W168-F172 VanDerWaalsContact CD1-O 3.3Å; L170-F172 HydrophobicContact CB-CD2 4.17Å; L170-F172 HydrophobicContact CB-CE2 4.34Å; F172-L377 HydrophobicContact CE1-CD1 4.33Å; F172-L377 HydrophobicContact CZ-CD1 3.71Å; F172-A380 HydrophobicContact CE1-CB 4.31Å; F172-M381 HydrophobicContact CD1-CB 4.2Å; F172-M381 HydrophobicContact CD1-CG 3.71Å; F172-M381 HydrophobicContact CD2-CE 4.23Å; F172-M381 HydrophobicContact CD2-CG 3.88Å; F172-M381 HydrophobicContact CE1-CB 4.42Å; F172-M381 HydrophobicContact CE1-CG 3.57Å; F172-M381 HydrophobicContact CE2-CE 4.37Å; F172-M381 HydrophobicContact CE2-CG 3.77Å; F172-M381 HydrophobicContact CE2-SD 4.36Å; F172-M381 HydrophobicContact CG-CB 4.39Å; F172-M381 HydrophobicContact CG-CG 3.86Å; F172-M381 HydrophobicContact CZ-CG 3.61Å
173D96.5Very high93.2Very high3 Ų340.8 Ų40.82%0.01625%0.253CS..  trans3366.3171.4-168.99.4000115.2L175 G176 A177 T222 S226 M381 P383D173-L175 PolarHBondContact O-N 3.25Å; D173-L175 PolarHBondContact OD1-N 3.46Å; D173-G176 PolarHBondContact O-N 2.78Å; D173-G176 PolarHBondContact OD1-N 3.41Å; D173-G176 WeakPolarHBondContact OD2-CA 3.36Å; D173-A177 WeakPolarHBondContact O-CB 3.46Å; D173-A177 PolarHBondContact O-N 2.92Å; D173-T222 VanDerWaalsContact OD2-CB 3.27Å; D173-T222 WeakPolarHBondContact OD2-CB 3.13Å; D173-T222 PolarHBondContact OD2-OG1 3.32Å; D173-S226 WeakPolarHBondContact CB-OG 3.43Å; D173-M381 PolarHBondContact N-O 3.01Å; D173-P383 HydrophobicContact CB-CG 3.8Å
174P95Very high92.9Very high90 Ų9042.1 Ų42.158%0.58426%0.259SS*.Hα-helixtrans-61.9-22.817825.1-34.3000112.7S178P174-S178 WeakPolarHBondContact O-CB 3.47Å; P174-S178 PolarHBondContact O-N 3.44Å; P174-S178 VanDerWaalsContact O-N 3.15Å
175L94.9Very high92.4Very high106 Ų10643.6 Ų43.656%0.55527%0.268SS*.Hα-helixtrans-73.9-50.4176.7-66.3-180000111D173 A177 S178 Q179 E384D173-L175 PolarHBondContact O-N 3.25Å; D173-L175 PolarHBondContact OD1-N 3.46Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.07Å; L175-S178 WeakPolarHBondContact O-CB 3.43Å; L175-S178 PolarHBondContact O-N 2.82Å; L175-Q179 WeakPolarHBondContact O-CG 3.38Å; L175-Q179 PolarHBondContact O-N 3.39Å; L175-E384 WeakPolarHBondContact CD1-OE1 3.28Å
176G95Very high91.6Very high1 Ų148.2 Ų48.21%0.0130%0.298CS..Hα-helixtrans-58.7-44.1173.500000112.1D173 S178 Q179 I180D173-G176 PolarHBondContact O-N 2.78Å; D173-G176 PolarHBondContact OD1-N 3.41Å; D173-G176 WeakPolarHBondContact OD2-CA 3.36Å; G176-S178 VanDerWaalsContact C-N 3.3Å; G176-S178 PolarHBondContact O-N 3.37Å; G176-Q179 PolarHBondContact O-N 2.98Å; G176-Q179 VanDerWaalsContact O-N 3.15Å; G176-I180 WeakPolarHBondContact O-CG1 3.29Å; G176-I180 PolarHBondContact O-N 3.3Å
177A95Very high90.8Very high11 Ų1153.4 Ų53.49%0.09132%0.322CS..Hα-helixtrans-54.7-45.1173.600000112.4W168 D173 L175 S181 V210W168-A177 HydrophobicContact CB-CB 3.92Å; W168-A177 HydrophobicContact CD2-CB 3.72Å; W168-A177 HydrophobicContact CE3-CB 4.31Å; W168-A177 HydrophobicContact CG-CB 3.55Å; D173-A177 WeakPolarHBondContact O-CB 3.46Å; D173-A177 PolarHBondContact O-N 2.92Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.07Å; A177-S181 WeakPolarHBondContact O-CB 3.44Å; A177-S181 PolarHBondContact O-N 2.87Å; A177-V210 HydrophobicContact CB-CG2 3.9Å
178S93.9Very high89.4Confident77 Ų7759.9 Ų59.954%0.53835%0.351SS..Hα-helixtrans-66.6-42.6177.8-177.60000112.2P174 L175 G176 S181 S182P174-S178 WeakPolarHBondContact O-CB 3.47Å; P174-S178 PolarHBondContact O-N 3.44Å; P174-S178 VanDerWaalsContact O-N 3.15Å; L175-S178 WeakPolarHBondContact O-CB 3.43Å; L175-S178 PolarHBondContact O-N 2.82Å; G176-S178 VanDerWaalsContact C-N 3.3Å; G176-S178 PolarHBondContact O-N 3.37Å; S178-S181 WeakPolarHBondContact O-CB 3.16Å; S178-S181 PolarHBondContact O-N 2.84Å; S178-S182 PolarHBondContact O-N 2.85Å
179Q93.7Very high87.3Confident124 Ų12466 Ų6658%0.57938%0.383SS*.Hα-helixtrans-60.6-51.4177.5-71.8174.32.800111.1L175 G176 S181 S182 T183L175-Q179 WeakPolarHBondContact O-CG 3.38Å; L175-Q179 PolarHBondContact O-N 3.39Å; G176-Q179 PolarHBondContact O-N 2.98Å; G176-Q179 VanDerWaalsContact O-N 3.15Å; Q179-S181 VanDerWaalsContact C-N 3.32Å; Q179-S181 PolarHBondContact O-N 3.29Å; Q179-S182 WeakPolarHBondContact O-CB 3.39Å; Q179-S182 PolarHBondContact O-N 2.82Å; Q179-S182 VanDerWaalsContact O-N 3.13Å; Q179-S182 PolarHBondContact O-OG 2.81Å; Q179-T183 PolarHBondContact O-N 3.03Å; Q179-T183 VanDerWaalsContact O-N 3.09Å; Q179-T183 PolarHBondContact O-OG1 2.82Å
180I93Very high85.5Confident13 Ų1368.1 Ų68.17%0.06740%0.398CS..Hα-helixtrans-62.6-38.8177.8-64.1-67.4000111.5W168 G176 S182 T183 I184 V210 I212 A217W168-I180 HydrophobicContact CH2-CB 3.77Å; W168-I180 HydrophobicContact CH2-CG1 3.85Å; W168-I180 HydrophobicContact CH2-CG2 3.78Å; W168-I180 HydrophobicContact CZ2-CB 4.37Å; W168-I180 HydrophobicContact CZ2-CG1 4.09Å; W168-I180 HydrophobicContact CZ3-CG2 4.31Å; G176-I180 WeakPolarHBondContact O-CG1 3.29Å; G176-I180 PolarHBondContact O-N 3.3Å; I180-S182 VanDerWaalsContact C-N 3.26Å; I180-S182 PolarHBondContact O-N 2.87Å; I180-T183 WeakPolarHBondContact O-CB 3.34Å; I180-T183 PolarHBondContact O-N 3.09Å; I180-T183 VanDerWaalsContact O-N 3.11Å; I180-I184 HydrophobicContact CG2-CD1 3.56Å; I180-I184 HydrophobicContact CG2-CG1 4.15Å; I180-I184 WeakPolarHBondContact O-CG1 3.33Å; I180-I184 PolarHBondContact O-N 3.2Å; I180-V210 HydrophobicContact CB-CG1 4.29Å; I180-V210 HydrophobicContact CG2-CG1 3.97Å; I180-I212 HydrophobicContact CG2-CD1 4.32Å; I180-I212 HydrophobicContact CG2-CG1 4.18Å; I180-A217 HydrophobicContact CD1-CB 4.41Å; I180-A217 HydrophobicContact CG2-CB 4Å
181S91.7Very high83.1Confident25 Ų2569.3 Ų69.318%0.17541%0.412CS..Hα-helixtrans-58-41.1175.7-161.50000112.1A177 S178 Q179 I184 N185A177-S181 WeakPolarHBondContact O-CB 3.44Å; A177-S181 PolarHBondContact O-N 2.87Å; S178-S181 WeakPolarHBondContact O-CB 3.16Å; S178-S181 PolarHBondContact O-N 2.84Å; Q179-S181 VanDerWaalsContact C-N 3.32Å; Q179-S181 PolarHBondContact O-N 3.29Å; S181-I184 PolarHBondContact O-N 2.89Å; S181-N185 PolarHBondContact O-N 2.79Å
182S90.6Very high80.6Confident73 Ų7370.8 Ų70.851%0.5143%0.427SS..Hα-helixtrans-68.5-33.917778.90000112.9S178 Q179 I180 N185 P186S178-S182 PolarHBondContact O-N 2.85Å; Q179-S182 WeakPolarHBondContact O-CB 3.39Å; Q179-S182 PolarHBondContact O-N 2.82Å; Q179-S182 VanDerWaalsContact O-N 3.13Å; Q179-S182 PolarHBondContact O-OG 2.81Å; I180-S182 VanDerWaalsContact C-N 3.26Å; I180-S182 PolarHBondContact O-N 2.87Å; S182-N185 CarbonylContact O-C 3.58Å; S182-P186 VanDerWaalsContact O-CA 3.26Å; S182-P186 WeakPolarHBondContact O-CA 3.5Å
183T89.1Confident77.7Confident96 Ų9674.8 Ų74.859%0.58946%0.461SS*.Hα-helixtrans-68.7-42.2175.4-54.10000112Q179 I180Q179-T183 PolarHBondContact O-N 3.03Å; Q179-T183 VanDerWaalsContact O-N 3.09Å; Q179-T183 PolarHBondContact O-OG1 2.82Å; I180-T183 WeakPolarHBondContact O-CB 3.34Å; I180-T183 PolarHBondContact O-N 3.09Å; I180-T183 VanDerWaalsContact O-N 3.11Å
184I88.2Confident74.7Confident29 Ų2981.9 Ų81.915%0.14950%0.499CS..Hα-helixtrans-75.5-39.1-178.5-64172.3000110.9I180 S181 P186 I212 A217I180-I184 HydrophobicContact CG2-CD1 3.56Å; I180-I184 HydrophobicContact CG2-CG1 4.15Å; I180-I184 WeakPolarHBondContact O-CG1 3.33Å; I180-I184 PolarHBondContact O-N 3.2Å; S181-I184 PolarHBondContact O-N 2.89Å; I184-P186 VanDerWaalsContact C-CD 3.48Å; I184-P186 WeakPolarHBondContact O-CD 3.41Å; I184-I212 HydrophobicContact CD1-CB 4.22Å; I184-I212 HydrophobicContact CD1-CG1 4.29Å; I184-A217 HydrophobicContact CD1-CB 4.03Å; I184-A217 HydrophobicContact CG1-CB 4.03Å
185N83.6Confident72.5Confident32 Ų3283.7 Ų83.717%0.17151%0.511CS..  trans-123.967.9-176.4-56.8-69.2000111.5S181 S182 N187 K188S181-N185 PolarHBondContact O-N 2.79Å; S182-N185 CarbonylContact O-C 3.58Å; N185-N187 PolarHBondContact O-N 3.11Å; N185-N187 VanDerWaalsContact O-N 3.08Å; N185-K188 HydrophobicContact CB-CB 3.75Å; N185-K188 HydrophobicContact CB-CD 4.36Å; N185-K188 WeakPolarHBondContact O-CB 3.24Å; N185-K188 PolarHBondContact O-N 2.65Å
186P76.9Confident69.5Low103 Ų10384.6 Ų84.667%0.66952%0.521SS*.THydrogen-bonded Turntrans-61.9-24.6-176.424.9-34.9000113.1S182 I184S182-P186 VanDerWaalsContact O-CA 3.26Å; S182-P186 WeakPolarHBondContact O-CA 3.5Å; I184-P186 VanDerWaalsContact C-CD 3.48Å; I184-P186 WeakPolarHBondContact O-CD 3.41Å
187N74.3Confident66.6Low147 Ų14788.4 Ų88.479%0.78656%0.56SS**THydrogen-bonded Turntrans-87.6-5.6178.1-65.3-23.3000113.8N185 I189N185-N187 PolarHBondContact O-N 3.11Å; N185-N187 VanDerWaalsContact O-N 3.08Å; N187-I189 VanDerWaalsContact C-N 3.27Å; N187-I189 PolarHBondContact O-N 3.19Å
188K63.7Low63.6Low136 Ų13692.9 Ų92.959%0.59159%0.591SS**  trans-75.188.7174.4-168.2178.6-177.9-174.20107.2N185 S190N185-K188 HydrophobicContact CB-CB 3.75Å; N185-K188 HydrophobicContact CB-CD 4.36Å; N185-K188 WeakPolarHBondContact O-CB 3.24Å; N185-K188 PolarHBondContact O-N 2.65Å; K188-S190 PolarHBondContact O-N 3.38Å
189I49.6Very low60.8Low148 Ų14897.5 Ų97.576%0.75961%0.609SS**  trans-54.4116.6167.3-59.5171.4000105.6N187 S191N187-I189 VanDerWaalsContact C-N 3.27Å; N187-I189 PolarHBondContact O-N 3.19Å; I189-S191 PolarHBondContact O-N 3.13Å
190S52.3Low58Low112 Ų11298.2 Ų98.278%0.78362%0.617SS**  trans-6391.2168.4-72.10000107.3K188 G192K188-S190 PolarHBondContact O-N 3.38Å; S190-G192 PolarHBondContact O-N 3.34Å
191S40.4Very low55.1Low85 Ų85106.6 Ų106.659%0.59466%0.658SS**  trans-66.682.6167.854.60000107.3I189I189-S191 PolarHBondContact O-N 3.13Å
192G39.3Very low52.7Low70 Ų70110.5 Ų110.572%0.72268%0.676SS**  trans-160.627-171.700000114S190S190-G192 PolarHBondContact O-N 3.34Å
193A35.8Very low50.1Low90 Ų90112.6 Ų112.674%0.74469%0.691SS**  trans-153.558.2166.200000110.7
194N33.5Very low47.9Very low152 Ų152112.9 Ų112.981%0.81369%0.693SS**  trans-134.6105.8161.9-92.2-17.7000109.2T196N194-T196 VanDerWaalsContact C-N 3.28Å; N194-T196 PolarHBondContact O-N 3.07Å; N194-T196 VanDerWaalsContact O-N 3.15Å
195P47.3Very low46.1Very low128 Ų128115.1 Ų115.183%0.83171%0.705SS**  trans-86.661.7177.134.8-32.6000110.7
196T33.2Very low44.8Very low124 Ų124119.5 Ų119.576%0.76174%0.738SS**SBendtrans-153.5105.3167.752.30000111.9N194N194-T196 VanDerWaalsContact C-N 3.28Å; N194-T196 PolarHBondContact O-N 3.07Å; N194-T196 VanDerWaalsContact O-N 3.15Å
197G34Very low44.3Very low81 Ų81120.1 Ų120.184%0.83573%0.727SS**  trans23.7108.4152.400000120.8
198S32.6Very low44.2Very low106 Ų106119.9 Ų119.974%0.74173%0.726SS**  -178.3127.6121.550.60000108.2D200S198-D200 PolarHBondContact O-N 3.32Å
199D34.7Very low45.2Very low173 Ų173115.1 Ų115.193%0.92571%0.707SS**  trans-65.958.1-177.4-69.4-41.6000113.8M201D199-M201 PolarHBondContact O-N 3.05Å
200D34.1Very low47Very low139 Ų139108.8 Ų108.874%0.74367%0.674SS**  trans-74.4114.3162.5-89.7-13.9000107.9S198 I202S198-D200 PolarHBondContact O-N 3.32Å; D200-I202 PolarHBondContact O-N 2.91Å
201M32.2Very low48.7Very low190 Ų190103.6 Ų103.694%0.93664%0.639SS**  trans-52.585.5169.5-89.2-176.773.100110D199 S203D199-M201 PolarHBondContact O-N 3.05Å; M201-S203 PolarHBondContact O-N 3.17Å
202I41.2Very low51.1Low106 Ų10699.6 Ų99.654%0.54461%0.611SS.*  trans-69.1107.8167.3-62.2175.2000105.8D200 T204D200-I202 PolarHBondContact O-N 2.91Å; I202-T204 HydrophobicContact CG2-CG2 4.21Å; I202-T204 PolarHBondContact O-N 2.97Å
203S36.3Very low53.6Low117 Ų11796.5 Ų96.582%0.81858%0.578SS**  trans-61.871.4167.9168.60000109.9M201 D205M201-S203 PolarHBondContact O-N 3.17Å; S203-D205 PolarHBondContact O-N 3.06Å
204T43Very low56.2Low103 Ų10393.5 Ų93.563%0.63255%0.55SS*.  trans-64.6116.2153.251.80000105.5I202 S206I202-T204 HydrophobicContact CG2-CG2 4.21Å; I202-T204 PolarHBondContact O-N 2.97Å; T204-S206 PolarHBondContact O-N 2.95Å
205D50.7Low59Low76 Ų7686.9 Ų86.941%0.40652%0.515SS..  trans-44.1118.7165.1-176.3-16.4000106.6S203 R207 N208S203-D205 PolarHBondContact O-N 3.06Å; D205-R207 PolarHBondContact O-N 3.44Å; D205-R207 IonicContact OD1-CZ 2.81Å; D205-R207 PolarHBondContact OD1-N 2.94Å; D205-R207 IonicContact OD1-NE 3.65Å; D205-R207 PolarHBondContact OD1-NE 3.38Å; D205-R207 IonicContact OD1-NH2 3.81Å; D205-R207 IonicContact OD2-CZ 2.68Å; D205-R207 IonicContact OD2-NE 3.19Å; D205-R207 PolarHBondContact OD2-NE 2.9Å; D205-R207 IonicContact OD2-NH2 2.72Å; D205-R207 PolarHBondContact OD2-NH2 2.77Å; D205-N208 PolarHBondContact O-N 2.88Å
206S55.9Low61.2Low123 Ų12383.4 Ų83.486%0.8649%0.491SS*.THydrogen-bonded Turntrans-56.3-10.9-169.2-35.40000113.4T204T204-S206 PolarHBondContact O-N 2.95Å
207R66.3Low64Low117 Ų11777.8 Ų77.844%0.44246%0.458SS..THydrogen-bonded Turntrans-88.7-6.5-179.1-60.2178.3-68.61595.7114.3Y29 D205 L209Y29-R207 VanDerWaalsContact CG-NH1 3.3Å; D205-R207 PolarHBondContact O-N 3.44Å; D205-R207 IonicContact OD1-CZ 2.81Å; D205-R207 PolarHBondContact OD1-N 2.94Å; D205-R207 IonicContact OD1-NE 3.65Å; D205-R207 PolarHBondContact OD1-NE 3.38Å; D205-R207 IonicContact OD1-NH2 3.81Å; D205-R207 IonicContact OD2-CZ 2.68Å; D205-R207 IonicContact OD2-NE 3.19Å; D205-R207 PolarHBondContact OD2-NE 2.9Å; D205-R207 IonicContact OD2-NH2 2.72Å; D205-R207 PolarHBondContact OD2-NH2 2.77Å; R207-L209 VanDerWaalsContact C-N 3.28Å; R207-L209 HydrophobicContact CB-CD1 3.56Å; R207-L209 HydrophobicContact CB-CD2 4.36Å; R207-L209 HydrophobicContact CB-CG 3.63Å; R207-L209 HydrophobicContact CG-CD1 4.39Å; R207-L209 VanDerWaalsContact CZ-CD1 3.41Å; R207-L209 PolarHBondContact O-N 3.22Å
208N73.3Confident66.8Low142 Ų14276.3 Ų76.376%0.75943%0.434SS*.  trans51.442.8179.7-162.232.9000113.9D205D205-N208 PolarHBondContact O-N 2.88Å
209L83.8Confident69.8Low36 Ų3671.3 Ų71.319%0.18840%0.399CS..  trans-84.4136-175.5-61.5163.7000111.1Y29 E165 R207Y29-L209 HydrophobicContact CD1-CD1 4.08Å; Y29-L209 HydrophobicContact CD2-CD1 4.37Å; Y29-L209 HydrophobicContact CE1-CD1 3.64Å; Y29-L209 HydrophobicContact CE1-CD2 4.19Å; Y29-L209 HydrophobicContact CE1-CG 4.46Å; Y29-L209 HydrophobicContact CE2-CD1 3.92Å; Y29-L209 HydrophobicContact CG-CD1 4.45Å; E165-L209 HydrophobicContact CG-CD2 3.68Å; E165-L209 VanDerWaalsContact OE1-C 3.3Å; E165-L209 WeakPolarHBondContact OE1-CA 3.38Å; E165-L209 WeakPolarHBondContact OE1-CB 3.34Å; E165-L209 WeakPolarHBondContact OE1-CD2 3.49Å; R207-L209 VanDerWaalsContact C-N 3.28Å; R207-L209 HydrophobicContact CB-CD1 3.56Å; R207-L209 HydrophobicContact CB-CD2 4.36Å; R207-L209 HydrophobicContact CB-CG 3.63Å; R207-L209 HydrophobicContact CG-CD1 4.39Å; R207-L209 VanDerWaalsContact CZ-CD1 3.41Å; R207-L209 PolarHBondContact O-N 3.22Å
210V86.3Confident72.7Confident14 Ų1464.2 Ų64.29%0.08537%0.366CS..  trans-66.9-40.9172.4173.50000110.8E165 W168 A177 I180E165-V210 PolarHBondContact OE1-N 3.2Å; W168-V210 HydrophobicContact CD2-CG2 4.3Å; W168-V210 HydrophobicContact CE3-CB 3.76Å; W168-V210 HydrophobicContact CE3-CG1 4.1Å; W168-V210 HydrophobicContact CE3-CG2 3.54Å; W168-V210 HydrophobicContact CH2-CG1 4.29Å; W168-V210 HydrophobicContact CZ3-CB 3.7Å; W168-V210 HydrophobicContact CZ3-CG1 3.56Å; W168-V210 HydrophobicContact CZ3-CG2 3.91Å; A177-V210 HydrophobicContact CB-CG2 3.9Å; I180-V210 HydrophobicContact CB-CG1 4.29Å; I180-V210 HydrophobicContact CG2-CG1 3.97Å
211G88.1Confident75.6Confident4 Ų457.6 Ų57.64%0.04133%0.331CS..  trans94.530.7179.400000114.2E165E165-G211 PolarHBondContact OE1-N 2.71Å; E165-G211 PolarHBondContact OE2-N 3.23Å
212I92.2Very high78.7Confident0 Ų050.1 Ų50.10%030%0.296CS..  trans-73.9-27.4179.1-157.6-174.3000112.9Y127 Q161 L164 E165 W168 I180 I184 D214 S215 A217 L219Y127-I212 WeakPolarHBondContact OH-CD1 3.49Å; Q161-I212 HydrophobicContact CB-CG2 4.17Å; Q161-I212 VanDerWaalsContact CD-O 3.3Å; Q161-I212 PolarHBondContact NE2-O 2.95Å; Q161-I212 WeakPolarHBondContact O-CG2 3.39Å; Q161-I212 PolarHBondContact OE1-O 2.92Å; L164-I212 HydrophobicContact CD2-CD1 3.83Å; E165-I212 HydrophobicContact CB-CG2 3.93Å; E165-I212 WeakPolarHBondContact OE2-CG2 3.49Å; E165-I212 PolarHBondContact OE2-N 3.12Å; W168-I212 HydrophobicContact CH2-CB 4.32Å; W168-I212 HydrophobicContact CH2-CD1 3.75Å; W168-I212 HydrophobicContact CH2-CG1 4.45Å; W168-I212 HydrophobicContact CH2-CG2 4.49Å; W168-I212 HydrophobicContact CZ3-CB 3.87Å; W168-I212 HydrophobicContact CZ3-CD1 4.13Å; W168-I212 HydrophobicContact CZ3-CG1 4.49Å; W168-I212 HydrophobicContact CZ3-CG2 3.87Å; I180-I212 HydrophobicContact CG2-CD1 4.32Å; I180-I212 HydrophobicContact CG2-CG1 4.18Å; I184-I212 HydrophobicContact CD1-CB 4.22Å; I184-I212 HydrophobicContact CD1-CG1 4.29Å; I212-D214 PolarHBondContact O-N 3.49Å; I212-S215 WeakPolarHBondContact O-CB 3.48Å; I212-S215 PolarHBondContact O-N 3.28Å; I212-S215 PolarHBondContact O-OG 3.26Å; I212-A217 HydrophobicContact CG1-CB 4.18Å; I212-L219 HydrophobicContact CD1-CD2 3.58Å
213V91.2Very high81.3Confident6 Ų645.4 Ų45.44%0.03627%0.272CS..THydrogen-bonded Turntrans-60.3124.6179.5-179.60000110.5L28 Y29 L31 Q161 A162 E165 S215L28-V213 HydrophobicContact CD2-CG1 3.5Å; Y29-V213 HydrophobicContact CE1-CG2 4.34Å; L31-V213 WeakPolarHBondContact CD1-O 3.38Å; Q161-V213 HydrophobicContact CB-CG2 4.38Å; A162-V213 HydrophobicContact CB-CG2 4.17Å; E165-V213 HydrophobicContact CB-CG2 4.16Å; E165-V213 HydrophobicContact CG-CG2 4.32Å; V213-S215 PolarHBondContact O-N 2.95Å
214D90.9Very high84.2Confident27 Ų2739.8 Ų39.814%0.14423%0.233CC..THydrogen-bonded Turntrans65.812.5-174.7-160.646.9000114.8S39 A40 Q41 W158 I212S39-D214 CarbonylContact C-O 3.58Å; S39-D214 WeakPolarHBondContact CA-O 3.4Å; S39-D214 VanDerWaalsContact CB-OD2 3.23Å; S39-D214 WeakPolarHBondContact CB-OD2 3.39Å; S39-D214 PolarHBondContact OG-OD2 3.31Å; A40-D214 PolarHBondContact N-O 2.95Å; Q41-D214 VanDerWaalsContact CB-OD1 3.31Å; Q41-D214 WeakPolarHBondContact CB-OD1 3.08Å; Q41-D214 PolarHBondContact N-OD1 3.03Å; W158-D214 PolarHBondContact NE1-OD1 3.39Å; I212-D214 PolarHBondContact O-N 3.49Å
215S92.3Very high86.8Confident12 Ų1234.9 Ų34.98%0.08420%0.203CC..  trans-82.9170.8169.580.50000111.9Q161 I212 V213 A217Q161-S215 PolarHBondContact NE2-O 3.47Å; I212-S215 WeakPolarHBondContact O-CB 3.48Å; I212-S215 PolarHBondContact O-N 3.28Å; I212-S215 PolarHBondContact O-OG 3.26Å; V213-S215 PolarHBondContact O-N 2.95Å; S215-A217 PolarHBondContact OG-N 3.2Å
216T93Very high89Confident55 Ų5531.3 Ų31.334%0.33718%0.184SC..  trans-106.631.316961.40000111.9A40 I43 F123A40-T216 HydrophobicContact CB-CG2 4.29Å; I43-T216 HydrophobicContact CD1-CG2 3.56Å; F123-T216 WeakPolarHBondContact CB-O 3.37Å; F123-T216 HydrophobicContact CD1-CG2 3.94Å; F123-T216 HydrophobicContact CE1-CG2 3.76Å; F123-T216 HydrophobicContact CG-CG2 4.38Å; F123-T216 HydrophobicContact CZ-CG2 4.09Å
217A92.9Very high90.9Very high6 Ų625.5 Ų25.55%0.0514%0.143CC..PPolyproline II helixtrans-72.4130.1176.700000110.6Y127 I180 I184 I212 S215Y127-A217 WeakPolarHBondContact CE2-O 3.36Å; Y127-A217 PolarHBondContact OH-O 3.42Å; I180-A217 HydrophobicContact CD1-CB 4.41Å; I180-A217 HydrophobicContact CG2-CB 4Å; I184-A217 HydrophobicContact CD1-CB 4.03Å; I184-A217 HydrophobicContact CG1-CB 4.03Å; I212-A217 HydrophobicContact CG1-CB 4.18Å; S215-A217 PolarHBondContact OG-N 3.2Å
218C92.7Very high92.4Very high50 Ų5020 Ų2034%0.33812%0.122SC..PPolyproline II helixtrans-80.6141.1172.5-168.80000109.7
219L95.3Very high93.5Very high2 Ų213.2 Ų13.21%0.019%0.086CC..PPolyproline II helixtrans-89.4139.6-179.1-57.7-174000111.8C126 Y127 L164 I212 D223 M224 Q281C126-L219 HydrophobicContact CB-CB 3.82Å; C126-L219 HydrophobicContact CB-CG 4.48Å; C126-L219 PolarHBondContact SG-O 2.87Å; Y127-L219 HydrophobicContact CD1-CD1 3.83Å; Y127-L219 HydrophobicContact CD1-CG 4.44Å; Y127-L219 HydrophobicContact CE1-CD1 3.49Å; Y127-L219 VanDerWaalsContact CE1-CD1 3.49Å; Y127-L219 HydrophobicContact CE1-CD2 4.16Å; Y127-L219 HydrophobicContact CE1-CG 3.83Å; Y127-L219 HydrophobicContact CE2-CD1 4.35Å; Y127-L219 HydrophobicContact CE2-CG 3.93Å; Y127-L219 HydrophobicContact CG-CD1 4.4Å; Y127-L219 WeakPolarHBondContact OH-CD2 3.39Å; L164-L219 HydrophobicContact CD2-CD1 4.09Å; L164-L219 HydrophobicContact CD2-CD2 3.5Å; L164-L219 VanDerWaalsContact CD2-CD2 3.5Å; L164-L219 HydrophobicContact CD2-CG 4.44Å; I212-L219 HydrophobicContact CD1-CD2 3.58Å; L219-D223 HydrophobicContact CB-CB 3.99Å; L219-D223 HydrophobicContact CD2-CB 4.07Å; L219-D223 HydrophobicContact CG-CB 4.46Å; L219-M224 HydrophobicContact CB-CG 4.39Å; L219-M224 HydrophobicContact CB-SD 4.34Å; L219-M224 HydrophobicContact CD1-SD 3.72Å; L219-Q281 PolarHBondContact O-NE2 3.08Å
220G94.9Very high93.9Very high23 Ų2311.5 Ų11.524%0.2378%0.077CC..  trans-81.2175.2164.400000112.8T222 D223 M224G220-T222 VanDerWaalsContact C-N 3.32Å; G220-T222 PolarHBondContact O-N 2.85Å; G220-D223 PolarHBondContact N-OD2 2.94Å; G220-D223 PolarHBondContact O-N 3.41Å; G220-M224 WeakPolarHBondContact O-CG 3.49Å; G220-M224 PolarHBondContact O-N 2.98Å
221A95.9Very high94.3Very high1 Ų111 Ų111%0.0087%0.074CC..Hα-helixtrans-65.1-35.5176.900000112.2M224 V225 I237 Q281 Q363A221-M224 WeakPolarHBondContact O-CB 3.28Å; A221-M224 PolarHBondContact O-N 3.46Å; A221-V225 PolarHBondContact O-N 3.22Å; A221-I237 HydrophobicContact CB-CD1 3.83Å; A221-I237 HydrophobicContact CB-CG1 4.24Å; A221-I237 HydrophobicContact CB-CG2 4.49Å; A221-Q281 VanDerWaalsContact N-OE1 3.07Å; A221-Q363 HydrophobicContact CB-CB 4.16Å; A221-Q363 VanDerWaalsContact CB-OE1 3.23Å
222T96.4Very high94.6Very high33 Ų3311 Ų1120%0.2027%0.073CC..Hα-helixtrans-69-36.9178.863.40000112D173 G220 M224 V225 S226 I237 P383D173-T222 VanDerWaalsContact OD2-CB 3.27Å; D173-T222 WeakPolarHBondContact OD2-CB 3.13Å; D173-T222 PolarHBondContact OD2-OG1 3.32Å; G220-T222 VanDerWaalsContact C-N 3.32Å; G220-T222 PolarHBondContact O-N 2.85Å; T222-M224 VanDerWaalsContact C-N 3.29Å; T222-M224 PolarHBondContact O-N 3.32Å; T222-V225 PolarHBondContact O-N 2.89Å; T222-S226 PolarHBondContact O-N 2.69Å; T222-S226 PolarHBondContact O-OG 2.87Å; T222-I237 HydrophobicContact CG2-CD1 4.08Å; T222-P383 HydrophobicContact CG2-CB 3.77Å; T222-P383 HydrophobicContact CG2-CG 4.49Å
223D96.8Very high94.7Very high6 Ų611 Ų113%0.0327%0.073CC..Hα-helixtrans-61.2-40.8171.7-59.6-45.2000110.9L164 W168 L219 G220 S226 L227L164-D223 WeakPolarHBondContact CD1-O 3.27Å; L164-D223 HydrophobicContact CD2-CB 4.03Å; W168-D223 WeakPolarHBondContact CZ2-OD1 3.47Å; L219-D223 HydrophobicContact CB-CB 3.99Å; L219-D223 HydrophobicContact CD2-CB 4.07Å; L219-D223 HydrophobicContact CG-CB 4.46Å; G220-D223 PolarHBondContact N-OD2 2.94Å; G220-D223 PolarHBondContact O-N 3.41Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.27Å; D223-L227 WeakPolarHBondContact O-CB 3.45Å; D223-L227 PolarHBondContact O-N 3.46Å
224M97.5Very high95Very high0 Ų013.6 Ų13.60%08%0.083CC..Hα-helixtrans-67.7-40177.4-66.9-68.3-62.500112.1C126 A130 L219 G220 A221 T222 S226 L227 F228 L279 L365C126-M224 HydrophobicContact CB-SD 4.06Å; A130-M224 HydrophobicContact CB-CE 3.48Å; A130-M224 VanDerWaalsContact CB-CE 3.48Å; A130-M224 HydrophobicContact CB-SD 4.38Å; L219-M224 HydrophobicContact CB-CG 4.39Å; L219-M224 HydrophobicContact CB-SD 4.34Å; L219-M224 HydrophobicContact CD1-SD 3.72Å; G220-M224 WeakPolarHBondContact O-CG 3.49Å; G220-M224 PolarHBondContact O-N 2.98Å; A221-M224 WeakPolarHBondContact O-CB 3.28Å; A221-M224 PolarHBondContact O-N 3.46Å; T222-M224 VanDerWaalsContact C-N 3.29Å; T222-M224 PolarHBondContact O-N 3.32Å; M224-S226 VanDerWaalsContact C-N 3.31Å; M224-S226 PolarHBondContact O-N 2.94Å; M224-L227 PolarHBondContact O-N 3.41Å; M224-L227 HydrophobicContact SD-CD2 4.33Å; M224-F228 HydrophobicContact CB-CE2 4.44Å; M224-F228 HydrophobicContact CE-CE2 3.71Å; M224-F228 HydrophobicContact CE-CZ 3.67Å; M224-F228 WeakPolarHBondContact O-CB 3.36Å; M224-F228 WeakPolarHBondContact O-CD2 3.21Å; M224-F228 WeakPolarHBondContact O-CG 3.35Å; M224-F228 PolarHBondContact O-N 2.93Å; M224-L279 HydrophobicContact CE-CD1 3.87Å; M224-L279 HydrophobicContact CG-CD1 4.49Å; M224-L365 HydrophobicContact CB-CD1 3.47Å; M224-L365 VanDerWaalsContact CB-CD1 3.47Å
225V97.4Very high95.2Very high0 Ų012.5 Ų12.50%08%0.077CC..Hα-helixtrans-59.1-44.6171.3168.10000110.6A221 T222 F228 G229 I237 L365 P383 V386A221-V225 PolarHBondContact O-N 3.22Å; T222-V225 PolarHBondContact O-N 2.89Å; V225-F228 PolarHBondContact O-N 3.48Å; V225-G229 PolarHBondContact O-N 3.22Å; V225-I237 HydrophobicContact CG2-CD1 3.57Å; V225-I237 HydrophobicContact CG2-CG1 3.6Å; V225-L365 HydrophobicContact CG2-CD1 4.01Å; V225-P383 HydrophobicContact CB-CB 4.39Å; V225-P383 HydrophobicContact CB-CG 4.43Å; V225-P383 HydrophobicContact CG1-CB 4.22Å; V225-P383 HydrophobicContact CG1-CG 4.2Å; V225-V386 HydrophobicContact CG1-CG2 3.8Å; V225-V386 HydrophobicContact CG2-CG2 4.3Å
226S96.1Very high95.4Very high0 Ų012.8 Ų12.80%08%0.079CC..Hα-helixtrans-63.5-44.6179.2-59.20000112.2D173 T222 D223 M224 G229 S230D173-S226 WeakPolarHBondContact CB-OG 3.43Å; T222-S226 PolarHBondContact O-N 2.69Å; T222-S226 PolarHBondContact O-OG 2.87Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.27Å; M224-S226 VanDerWaalsContact C-N 3.31Å; M224-S226 PolarHBondContact O-N 2.94Å; S226-G229 PolarHBondContact O-N 2.9Å; S226-S230 WeakPolarHBondContact O-CB 3.42Å; S226-S230 PolarHBondContact O-N 3.46Å; S226-S230 PolarHBondContact O-OG 3.27Å
227L96.7Very high95.5Very high1 Ų110.1 Ų10.11%0.0056%0.063CC..Hα-helixtrans-60.7-46.2175.8171.362.2000111.8A130 L160 L163 L164 D223 M224 S230 I231A130-L227 HydrophobicContact CB-CD2 4.39Å; L160-L227 HydrophobicContact CB-CD2 4.38Å; L160-L227 HydrophobicContact CD2-CD1 4.44Å; L160-L227 HydrophobicContact CD2-CD2 4.27Å; L163-L227 HydrophobicContact CB-CD1 3.63Å; L163-L227 HydrophobicContact CD1-CD1 4.26Å; L164-L227 HydrophobicContact CB-CD1 4.36Å; L164-L227 HydrophobicContact CD1-CB 4.26Å; D223-L227 WeakPolarHBondContact O-CB 3.45Å; D223-L227 PolarHBondContact O-N 3.46Å; M224-L227 PolarHBondContact O-N 3.41Å; M224-L227 HydrophobicContact SD-CD2 4.33Å; L227-S230 PolarHBondContact O-OG 2.88Å; L227-S230 VanDerWaalsContact O-OG 3.07Å; L227-I231 WeakPolarHBondContact O-CG1 3.4Å
228F96.9Very high95.6Very high1 Ų110.3 Ų10.30%0.0046%0.063CC..Hα-helixtrans-69.6-41.7178.9-73.3-37.9000111.7A130 I133 L134 M224 V225 S230 I231 G232 I233 L365 I367A130-F228 HydrophobicContact CB-CE1 4.39Å; A130-F228 HydrophobicContact CB-CZ 4.25Å; I133-F228 HydrophobicContact CB-CZ 4.07Å; I133-F228 HydrophobicContact CD1-CE2 3.98Å; I133-F228 HydrophobicContact CD1-CZ 3.8Å; I133-F228 HydrophobicContact CG2-CE1 4.2Å; I133-F228 HydrophobicContact CG2-CZ 3.89Å; L134-F228 HydrophobicContact CD2-CE1 4.46Å; L134-F228 HydrophobicContact CG-CE1 4.43Å; M224-F228 HydrophobicContact CB-CE2 4.44Å; M224-F228 HydrophobicContact CE-CE2 3.71Å; M224-F228 HydrophobicContact CE-CZ 3.67Å; M224-F228 WeakPolarHBondContact O-CB 3.36Å; M224-F228 WeakPolarHBondContact O-CD2 3.21Å; M224-F228 WeakPolarHBondContact O-CG 3.35Å; M224-F228 PolarHBondContact O-N 2.93Å; V225-F228 PolarHBondContact O-N 3.48Å; F228-S230 PolarHBondContact O-N 2.94Å; F228-I231 HydrophobicContact CD1-CD1 4.47Å; F228-I231 WeakPolarHBondContact O-CG1 3.36Å; F228-I231 PolarHBondContact O-N 2.77Å; F228-G232 PolarHBondContact O-N 3.19Å; F228-I233 CarbonylContact C-O 3.34Å; F228-I233 HydrophobicContact CB-CB 3.93Å; F228-I233 HydrophobicContact CB-CD1 4.45Å; F228-I233 HydrophobicContact CB-CG2 4.14Å; F228-I233 HydrophobicContact CD1-CD1 3.75Å; F228-I233 HydrophobicContact CE1-CD1 4.45Å; F228-I233 HydrophobicContact CG-CD1 4.4Å; F228-I233 HydrophobicContact CG-CG2 4.49Å; F228-I233 WeakPolarHBondContact O-CB 3.39Å; F228-I233 PolarHBondContact O-N 3.35Å; F228-L365 HydrophobicContact CD2-CD1 4.2Å; F228-L365 HydrophobicContact CD2-CD2 4.01Å; F228-L365 HydrophobicContact CE2-CD1 4.2Å; F228-L365 HydrophobicContact CE2-CD2 3.77Å; F228-I367 HydrophobicContact CD2-CD1 4Å; F228-I367 HydrophobicContact CE2-CD1 4.03Å
229G95.9Very high95.7Very high0 Ų09.4 Ų9.40%05%0.053CC..Hα-helixtrans-59.7-44.5176.900000112.7V225 S226 I231 G232 I233 I371V225-G229 PolarHBondContact O-N 3.22Å; S226-G229 PolarHBondContact O-N 2.9Å; G229-I231 PolarHBondContact O-N 3.23Å; G229-I231 VanDerWaalsContact O-N 3.16Å; G229-G232 PolarHBondContact O-N 2.86Å; G229-I233 PolarHBondContact N-O 2.93Å; G229-I371 WeakPolarHBondContact O-CD1 3.42Å
230S93.6Very high95.7Very high0 Ų09.5 Ų9.50%05%0.054CC..Hα-helixtrans-65.1-21.3-178.976.40000113.9M20 A167 S226 L227 F228M20-S230 WeakPolarHBondContact CB-O 3.44Å; M20-S230 PolarHBondContact N-O 3.47Å; A167-S230 VanDerWaalsContact CB-CB 3.45Å; S226-S230 WeakPolarHBondContact O-CB 3.42Å; S226-S230 PolarHBondContact O-N 3.46Å; S226-S230 PolarHBondContact O-OG 3.27Å; L227-S230 PolarHBondContact O-OG 2.88Å; L227-S230 VanDerWaalsContact O-OG 3.07Å; F228-S230 PolarHBondContact O-N 2.94Å
231I93.2Very high95.6Very high5 Ų515 Ų153%0.0267%0.068CC..THydrogen-bonded Turntrans-101.78.3174.866.5176.9000113.2M20 L22 L134 L147 L163 L227 F228 G229 I233M20-I231 HydrophobicContact CB-CG2 4.29Å; L22-I231 HydrophobicContact CD2-CD1 4.19Å; L22-I231 HydrophobicContact CD2-CG2 4.49Å; L134-I231 HydrophobicContact CD2-CD1 3.94Å; L147-I231 WeakPolarHBondContact CD2-O 3.38Å; L163-I231 HydrophobicContact CD1-CG2 4.17Å; L163-I231 HydrophobicContact CD2-CG2 4.2Å; L227-I231 WeakPolarHBondContact O-CG1 3.4Å; F228-I231 HydrophobicContact CD1-CD1 4.47Å; F228-I231 WeakPolarHBondContact O-CG1 3.36Å; F228-I231 PolarHBondContact O-N 2.77Å; G229-I231 PolarHBondContact O-N 3.23Å; G229-I231 VanDerWaalsContact O-N 3.16Å; I231-I233 HydrophobicContact CD1-CD1 3.64Å; I231-I233 HydrophobicContact CD1-CG1 4.5Å; I231-I233 HydrophobicContact CG1-CD1 3.84Å; I231-I233 HydrophobicContact CG1-CG1 4.19Å
232G94.3Very high95.5Very high2 Ų217.6 Ų17.62%0.0219%0.089CC..THydrogen-bonded Turntrans88.718.7173.500000115.4F228 G229 L370 I371F228-G232 PolarHBondContact O-N 3.19Å; G229-G232 PolarHBondContact O-N 2.86Å; G232-L370 WeakPolarHBondContact O-CA 3.4Å; G232-I371 PolarHBondContact O-N 2.9Å
233I95.8Very high95.4Very high0 Ų018.8 Ų18.80%010%0.098CC..EExtended strand (participates in β ladder)trans-98.7123.7175.5-60.4163.8000109.2L134 L137 L147 F228 G229 I231 I367L134-I233 HydrophobicContact CD2-CD1 3.92Å; L137-I233 HydrophobicContact CD1-CD1 3.48Å; L137-I233 VanDerWaalsContact CD1-CD1 3.48Å; L137-I233 HydrophobicContact CD1-CG1 4.04Å; L137-I233 HydrophobicContact CD1-CG2 4.4Å; L147-I233 HydrophobicContact CD1-CD1 3.78Å; L147-I233 HydrophobicContact CD1-CG1 3.75Å; L147-I233 HydrophobicContact CD2-CD1 4.29Å; L147-I233 HydrophobicContact CD2-CG1 3.73Å; L147-I233 HydrophobicContact CG-CG1 4.4Å; F228-I233 CarbonylContact C-O 3.34Å; F228-I233 HydrophobicContact CB-CB 3.93Å; F228-I233 HydrophobicContact CB-CD1 4.45Å; F228-I233 HydrophobicContact CB-CG2 4.14Å; F228-I233 HydrophobicContact CD1-CD1 3.75Å; F228-I233 HydrophobicContact CE1-CD1 4.45Å; F228-I233 HydrophobicContact CG-CD1 4.4Å; F228-I233 HydrophobicContact CG-CG2 4.49Å; F228-I233 WeakPolarHBondContact O-CB 3.39Å; F228-I233 PolarHBondContact O-N 3.35Å; G229-I233 PolarHBondContact N-O 2.93Å; I231-I233 HydrophobicContact CD1-CD1 3.64Å; I231-I233 HydrophobicContact CD1-CG1 4.5Å; I231-I233 HydrophobicContact CG1-CD1 3.84Å; I231-I233 HydrophobicContact CG1-CG1 4.19Å; I233-I367 HydrophobicContact CG2-CD1 4.02Å; I233-I367 HydrophobicContact CG2-CG2 3.66Å
234R95.9Very high95.2Very high62 Ų6220.1 Ų20.123%0.23411%0.107CC..EExtended strand (participates in β ladder)trans-82.7129.2173.6-172.8177.261.5-131.6-5.8109.3N368 G369 L370 I371 E372 D376R234-N368 HydrophobicContact CG-CB 4.19Å; R234-N368 PolarHBondContact NH2-O 3.27Å; R234-N368 PolarHBondContact O-N 2.96Å; R234-G369 PolarHBondContact N-O 3.48Å; R234-G369 PolarHBondContact O-N 2.86Å; R234-L370 PolarHBondContact NH1-O 3.07Å; R234-L370 VanDerWaalsContact NH1-O 3.09Å; R234-I371 HydrophobicContact CB-CG1 4.09Å; R234-E372 IonicContact NH1-OE2 3.56Å; R234-D376 WeakPolarHBondContact CD-OD1 3.3Å; R234-D376 IonicContact NH1-OD1 2.92Å; R234-D376 IonicContact NH1-OD2 3.8Å
235S96.1Very high95Very high4 Ų421 Ų213%0.02812%0.116CC..EExtended strand (participates in β ladder)trans-141.5163.7179.6570000111.5Q366S235-Q366 CarbonylContact C-O 3.6Å; S235-Q366 WeakPolarHBondContact CA-O 3.46Å; S235-Q366 WeakPolarHBondContact CB-O 3.46Å
236S95.5Very high94.8Very high17 Ų1726.4 Ų26.412%0.11915%0.152CC..EExtended strand (participates in β ladder)trans-135.5156.1173.652.20000111.1L365 Q366 N368 V386S236-L365 WeakPolarHBondContact O-CA 3.46Å; S236-Q366 PolarHBondContact N-O 3.36Å; S236-Q366 PolarHBondContact O-N 3.06Å; S236-N368 VanDerWaalsContact CB-ND2 3.29Å; S236-N368 WeakPolarHBondContact CB-ND2 3.28Å; S236-N368 PolarHBondContact N-ND2 3.23Å; S236-N368 PolarHBondContact OG-ND2 2.98Å; S236-V386 WeakPolarHBondContact CA-O 3.29Å; S236-V386 WeakPolarHBondContact CB-O 3.42Å
237I96.7Very high94.7Very high0 Ų030.2 Ų30.20%019%0.191CC..EExtended strand (participates in β ladder)trans-110124.8174.7-61.8169000108.2A221 T222 V225 Q363 L364 V386 T387 V388A221-I237 HydrophobicContact CB-CD1 3.83Å; A221-I237 HydrophobicContact CB-CG1 4.24Å; A221-I237 HydrophobicContact CB-CG2 4.49Å; T222-I237 HydrophobicContact CG2-CD1 4.08Å; V225-I237 HydrophobicContact CG2-CD1 3.57Å; V225-I237 HydrophobicContact CG2-CG1 3.6Å; I237-Q363 HydrophobicContact CG2-CB 4.19Å; I237-Q363 HydrophobicContact CG2-CG 4.27Å; I237-L364 CarbonylContact C-O 3.48Å; I237-L364 WeakPolarHBondContact CA-O 3.43Å; I237-V386 PolarHBondContact N-O 2.9Å; I237-T387 HydrophobicContact CB-CG2 4.3Å; I237-T387 HydrophobicContact CG2-CG2 4.19Å; I237-T387 CarbonylContact O-C 3.56Å; I237-T387 WeakPolarHBondContact O-CA 3.49Å; I237-V388 PolarHBondContact O-N 3.29Å
238I95Very high94.5Very high10 Ų1031.5 Ų31.55%0.05120%0.204CC..EExtended strand (participates in β ladder)trans-99.4119.1167.2-54-59.9000108.2Q363 L364 V388 I390I238-Q363 CarbonylContact O-C 3.59Å; I238-Q363 WeakPolarHBondContact O-CA 3.48Å; I238-L364 HydrophobicContact CB-CB 4.2Å; I238-L364 PolarHBondContact N-O 2.95Å; I238-L364 PolarHBondContact O-N 3.15Å; I238-V388 CarbonylContact C-O 3.54Å; I238-V388 WeakPolarHBondContact CA-O 3.45Å; I238-V388 HydrophobicContact CD1-CB 3.97Å; I238-I390 HydrophobicContact CG2-CB 4.38Å; I238-I390 HydrophobicContact CG2-CD1 3.56Å; I238-I390 HydrophobicContact CG2-CG1 3.68Å; I238-I390 HydrophobicContact CG2-CG2 3.84Å
239E94.6Very high94.4Very high30 Ų3032.2 Ų32.214%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-104.4115.3-174.6-166.8-177.6-163.600111.1R241 Q363 T387 V388 A389 I390E239-R241 VanDerWaalsContact CD-NE 3.31Å; E239-R241 HydrophobicContact CG-CG 3.72Å; E239-R241 IonicContact OE1-NE 3.74Å; E239-R241 IonicContact OE2-CZ 2.77Å; E239-R241 IonicContact OE2-NE 3.63Å; E239-R241 PolarHBondContact OE2-NE 2.93Å; E239-R241 IonicContact OE2-NH2 3.5Å; E239-R241 PolarHBondContact OE2-NH2 3.1Å; E239-Q363 HydrophobicContact CG-CG 4.28Å; E239-T387 HydrophobicContact CB-CG2 4.21Å; E239-V388 PolarHBondContact N-O 3.15Å; E239-A389 WeakPolarHBondContact O-CA 3.41Å; E239-I390 PolarHBondContact O-N 3.37Å
240C94.7Very high94.4Very high5 Ų532.3 Ų32.33%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-96.292.6172-590000108.7A242 Q361 Y362 I390C240-A242 VanDerWaalsContact C-N 3.34Å; C240-A242 PolarHBondContact O-N 3.29Å; C240-Q361 VanDerWaalsContact O-CA 3.29Å; C240-Q361 WeakPolarHBondContact O-CA 3.27Å; C240-Y362 PolarHBondContact N-O 3.33Å; C240-Y362 PolarHBondContact O-N 2.84Å; C240-Y362 VanDerWaalsContact O-N 3.07Å; C240-I390 VanDerWaalsContact SG-CD1 3.54Å; C240-I390 VanDerWaalsContact SG-CG1 3.57Å
241R92.7Very high94.4Very high139 Ų13933.8 Ų33.853%0.52522%0.218SC..  trans-78.3-14.6-170.1-65.9-177.3179.2164.93.1115.1E239 Q361E239-R241 VanDerWaalsContact CD-NE 3.31Å; E239-R241 HydrophobicContact CG-CG 3.72Å; E239-R241 IonicContact OE1-NE 3.74Å; E239-R241 IonicContact OE2-CZ 2.77Å; E239-R241 IonicContact OE2-NE 3.63Å; E239-R241 PolarHBondContact OE2-NE 2.93Å; E239-R241 IonicContact OE2-NH2 3.5Å; E239-R241 PolarHBondContact OE2-NH2 3.1Å; R241-Q361 WeakPolarHBondContact O-CG 3.5Å; R241-Q361 PolarHBondContact O-NE2 2.71Å
242A93.5Very high94.3Very high54 Ų5439.9 Ų39.945%0.44624%0.242SC..SBendtrans-154.8155.6179.700000110.5C240 H250C240-A242 VanDerWaalsContact C-N 3.34Å; C240-A242 PolarHBondContact O-N 3.29Å; A242-H250 VanDerWaalsContact C-CE1 3.46Å; A242-H250 PolarHBondContact O-CE1 3.11Å; A242-H250 PolarHBondContact O-ND1 3.43Å
243P94.6Very high94.3Very high59 Ų5939.9 Ų39.938%0.38324%0.241SC..  trans-56.5136.1170.2-26.836.4000112.9
244S93.6Very high94.2Very high33 Ų3339.9 Ų39.923%0.23124%0.241CC..  trans-1030.4178.342.80000113.5T249 P251 Y252S244-T249 PolarHBondContact N-O 2.87Å; S244-T249 VanDerWaalsContact N-O 3.09Å; S244-P251 VanDerWaalsContact OG-CD 3.31Å; S244-P251 WeakPolarHBondContact OG-CD 3.35Å; S244-Y252 PolarHBondContact OG-N 2.57Å
245G92.8Very high94Very high19 Ų1940.3 Ų40.320%0.19625%0.251CS..SBendtrans-138.3172.5-172.500000114.9T249G245-T249 PolarHBondContact N-O 2.86Å
246P92.7Very high93.8Very high114 Ų11442.7 Ų42.774%0.7426%0.262SS*.G310 helixtrans-61.2150.1177.927.7-34.9000111.3G248 T249P246-G248 PolarHBondContact O-N 3.34Å; P246-T249 WeakPolarHBondContact O-CB 3.31Å; P246-T249 VanDerWaalsContact O-CG2 3.32Å; P246-T249 WeakPolarHBondContact O-CG2 3.4Å; P246-T249 PolarHBondContact O-N 3.17Å; P246-T249 PolarHBondContact O-OG1 3.2Å
247G93Very high93.6Very high80 Ų8041.9 Ų41.983%0.82526%0.256SS*.G310 helixtrans67.814.8178.700000114.9
248G94.2Very high93.4Very high27 Ų2744 Ų4428%0.27827%0.265SS..G310 helixtrans79.618.9-176.200000113.7P246 V358P246-G248 PolarHBondContact O-N 3.34Å; G248-V358 WeakPolarHBondContact O-CA 3.23Å
249T95.2Very high93.2Very high17 Ų1746.4 Ų46.410%0.10428%0.282CS..  trans-79.4164.717957.60000113.1S244 G245 P246 P251 M354 L357 V358S244-T249 PolarHBondContact N-O 2.87Å; S244-T249 VanDerWaalsContact N-O 3.09Å; G245-T249 PolarHBondContact N-O 2.86Å; P246-T249 WeakPolarHBondContact O-CB 3.31Å; P246-T249 VanDerWaalsContact O-CG2 3.32Å; P246-T249 WeakPolarHBondContact O-CG2 3.4Å; P246-T249 PolarHBondContact O-N 3.17Å; P246-T249 PolarHBondContact O-OG1 3.2Å; T249-P251 VanDerWaalsContact C-CD 3.41Å; T249-P251 VanDerWaalsContact O-CD 3.32Å; T249-P251 WeakPolarHBondContact O-CD 3.41Å; T249-M354 HydrophobicContact CG2-CG 4.33Å; T249-M354 VanDerWaalsContact CG2-O 3.26Å; T249-M354 WeakPolarHBondContact CG2-O 3.5Å; T249-L357 VanDerWaalsContact CA-O 3.31Å; T249-L357 WeakPolarHBondContact CA-O 3.31Å; T249-V358 HydrophobicContact CG2-CG1 3.97Å
250H94.9Very high92.7Very high1 Ų146.4 Ų46.41%0.00528%0.281CS..  trans-119.666.3-177.9-70-102.2000113.8A242 Y252 L253 L254 L357 Q359 Y362A242-H250 VanDerWaalsContact C-CE1 3.46Å; A242-H250 PolarHBondContact O-CE1 3.11Å; A242-H250 PolarHBondContact O-ND1 3.43Å; H250-Y252 VanDerWaalsContact C-N 3.3Å; H250-Y252 PolarHBondContact O-N 2.84Å; H250-L253 HydrophobicContact CB-CB 3.9Å; H250-L253 HydrophobicContact CB-CD2 4.29Å; H250-L253 WeakPolarHBondContact O-CB 3.38Å; H250-L253 PolarHBondContact O-N 3.06Å; H250-L254 PolarHBondContact O-N 3.04Å; H250-L357 PolarHBondContact CD2-O 3.32Å; H250-L357 VanDerWaalsContact CD2-O 3.3Å; H250-L357 PolarHBondContact N-O 3.07Å; H250-Q359 PolarHBondContact NE2-O 3.08Å; H250-Y362 AromaticContact CD2-CD2 3.71Å; H250-Y362 AromaticContact CD2-CE2 3.48Å; H250-Y362 VanDerWaalsContact CD2-CE2 3.48Å; H250-Y362 WeakPolarHBondContact CD2-CE2 3.49Å; H250-Y362 AromaticContact CE1-CD2 3.84Å; H250-Y362 AromaticContact CG-CD2 3.85Å; H250-Y362 AromaticContact CG-CE2 3.99Å; H250-Y362 AromaticContact ND1-CD2 3.96Å; H250-Y362 AromaticContact NE2-CD2 3.69Å; H250-Y362 AromaticContact NE2-CE2 3.69Å
251P93Very high92.2Very high31 Ų3146.3 Ų46.320%0.20128%0.28CS..Hα-helixtrans-62.3-31.1179.325.7-35.6000114.7S244 T249 L254 T255 M354S244-P251 VanDerWaalsContact OG-CD 3.31Å; S244-P251 WeakPolarHBondContact OG-CD 3.35Å; T249-P251 VanDerWaalsContact C-CD 3.41Å; T249-P251 VanDerWaalsContact O-CD 3.32Å; T249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-L254 PolarHBondContact O-N 3.37Å; P251-T255 WeakPolarHBondContact O-CB 3.43Å; P251-T255 PolarHBondContact O-N 3.04Å; P251-T255 PolarHBondContact O-OG1 3.37Å; P251-M354 VanDerWaalsContact CA-CE 3.49Å; P251-M354 VanDerWaalsContact CA-SD 3.58Å; P251-M354 HydrophobicContact CB-CE 3.83Å; P251-M354 HydrophobicContact CB-SD 4.1Å
252Y92.3Very high91.7Very high134 Ų13443 Ų4353%0.52528%0.276SS..Hα-helixtrans-72.4-32.4177.1-66.5-21.2000113.1S244 H250 T255 H256 S391S244-Y252 PolarHBondContact OG-N 2.57Å; H250-Y252 VanDerWaalsContact C-N 3.3Å; H250-Y252 PolarHBondContact O-N 2.84Å; Y252-T255 PolarHBondContact O-N 3.4Å; Y252-H256 WeakPolarHBondContact O-CB 3.49Å; Y252-H256 PolarHBondContact O-N 3.49Å; Y252-S391 WeakPolarHBondContact CD2-O 3.39Å
253L93.9Very high91.1Very high1 Ų144.8 Ų44.81%0.00528%0.284CS..Hα-helixtrans-60-50170.7171.363.2000110.4H250 T255 H256 I257 L280 Y362 L364H250-L253 HydrophobicContact CB-CB 3.9Å; H250-L253 HydrophobicContact CB-CD2 4.29Å; H250-L253 WeakPolarHBondContact O-CB 3.38Å; H250-L253 PolarHBondContact O-N 3.06Å; L253-T255 VanDerWaalsContact C-N 3.34Å; L253-T255 PolarHBondContact O-N 2.92Å; L253-H256 PolarHBondContact O-N 3.45Å; L253-I257 HydrophobicContact CD1-CD1 3.75Å; L253-I257 HydrophobicContact CD1-CG1 4.26Å; L253-I257 HydrophobicContact CG-CD1 4Å; L253-I257 WeakPolarHBondContact O-CB 3.27Å; L253-I257 WeakPolarHBondContact O-CG1 3.38Å; L253-I257 PolarHBondContact O-N 3.05Å; L253-L280 HydrophobicContact CD1-CD1 4.3Å; L253-L280 HydrophobicContact CD2-CD1 3.88Å; L253-Y362 HydrophobicContact CD2-CD1 4.26Å; L253-Y362 HydrophobicContact CD2-CD2 3.96Å; L253-Y362 HydrophobicContact CD2-CG 3.77Å; L253-L364 HydrophobicContact CD1-CB 4.44Å
254L94Very high89.6Confident0 Ų042.4 Ų42.40%027%0.271CS..Hα-helixtrans-61.8-43.5178.9179.859.9000111.5H250 P251 I257 Y258 V292 P300 L303 M354 L357H250-L254 PolarHBondContact O-N 3.04Å; P251-L254 PolarHBondContact O-N 3.37Å; L254-I257 PolarHBondContact O-N 3.34Å; L254-Y258 WeakPolarHBondContact O-CB 3.32Å; L254-Y258 PolarHBondContact O-N 2.75Å; L254-V292 HydrophobicContact CD1-CG1 4.33Å; L254-P300 HydrophobicContact CD1-CB 4.12Å; L254-P300 HydrophobicContact CD2-CB 4.06Å; L254-P300 HydrophobicContact CD2-CG 4.46Å; L254-P300 VanDerWaalsContact CD2-O 3.27Å; L254-P300 WeakPolarHBondContact CD2-O 3.13Å; L254-P300 HydrophobicContact CG-CB 3.79Å; L254-P300 HydrophobicContact CG-CG 4.15Å; L254-L303 HydrophobicContact CD1-CD2 3.34Å; L254-L303 HydrophobicContact CD1-CG 3.89Å; L254-M354 HydrophobicContact CB-CE 3.83Å; L254-M354 HydrophobicContact CD2-CE 3.23Å; L254-M354 HydrophobicContact CD2-SD 4.48Å; L254-M354 HydrophobicContact CG-CE 4.11Å; L254-L357 HydrophobicContact CB-CD1 4.48Å
255T91.9Very high87.8Confident72 Ų7243.9 Ų43.944%0.44228%0.276SS..Hα-helixtrans-64.6-40.7177.9-56.40000111.7P251 Y252 L253 Y258 S259P251-T255 WeakPolarHBondContact O-CB 3.43Å; P251-T255 PolarHBondContact O-N 3.04Å; P251-T255 PolarHBondContact O-OG1 3.37Å; Y252-T255 PolarHBondContact O-N 3.4Å; L253-T255 VanDerWaalsContact C-N 3.34Å; L253-T255 PolarHBondContact O-N 2.92Å; T255-Y258 PolarHBondContact O-N 3.18Å; T255-S259 WeakPolarHBondContact O-CB 3.45Å; T255-S259 PolarHBondContact O-N 3.09Å
256H90.9Very high85.5Confident54 Ų5448.2 Ų48.225%0.2530%0.303CS..Hα-helixtrans-62.9-49.6176.4-179.492.4000111Y252 L253 Y258 S259 Y260 Q366 I390Y252-H256 WeakPolarHBondContact O-CB 3.49Å; Y252-H256 PolarHBondContact O-N 3.49Å; L253-H256 PolarHBondContact O-N 3.45Å; H256-Y258 VanDerWaalsContact C-N 3.31Å; H256-Y258 PolarHBondContact O-N 3.3Å; H256-S259 PolarHBondContact O-N 2.8Å; H256-Y260 WeakPolarHBondContact O-CB 3.48Å; H256-Y260 PolarHBondContact O-N 3.17Å; H256-Q366 PolarHBondContact NE2-NE2 2.9Å; H256-I390 HydrophobicContact CB-CD1 4.04Å
257I92.7Very high83.5Confident0 Ų045.4 Ų45.40%028%0.28CS..Hα-helixtrans-56.4-47.6176-75.6169000110.5L253 L254 Y260 I261 M278 V289 V292 L303 L364L253-I257 HydrophobicContact CD1-CD1 3.75Å; L253-I257 HydrophobicContact CD1-CG1 4.26Å; L253-I257 HydrophobicContact CG-CD1 4Å; L253-I257 WeakPolarHBondContact O-CB 3.27Å; L253-I257 WeakPolarHBondContact O-CG1 3.38Å; L253-I257 PolarHBondContact O-N 3.05Å; L254-I257 PolarHBondContact O-N 3.34Å; I257-Y260 PolarHBondContact O-N 3.21Å; I257-I261 HydrophobicContact CG2-CD1 3.7Å; I257-I261 VanDerWaalsContact O-CB 3.28Å; I257-I261 WeakPolarHBondContact O-CB 3.46Å; I257-I261 WeakPolarHBondContact O-CG1 3.31Å; I257-I261 PolarHBondContact O-N 3.27Å; I257-M278 HydrophobicContact CB-CE 4.34Å; I257-M278 HydrophobicContact CG1-CE 4.19Å; I257-M278 HydrophobicContact CG2-CE 3.71Å; I257-V289 HydrophobicContact CG2-CG1 4.08Å; I257-V292 HydrophobicContact CG2-CG2 3.76Å; I257-L303 HydrophobicContact CB-CD2 4.24Å; I257-L303 HydrophobicContact CD1-CD1 3.92Å; I257-L303 HydrophobicContact CD1-CD2 3.76Å; I257-L303 HydrophobicContact CG2-CD2 3.68Å; I257-L364 HydrophobicContact CD1-CD1 4Å; I257-L364 HydrophobicContact CD1-CD2 4.22Å; I257-L364 HydrophobicContact CG1-CD1 4.17Å; I257-L364 HydrophobicContact CG1-CD2 3.59Å
258Y92.4Very high81.1Confident45 Ų4545.5 Ų45.518%0.17628%0.281CS..Hα-helixtrans-63-43.7178.7179-106.8000112.5L254 T255 H256 I261 T262 V292 V294 D298 P300L254-Y258 WeakPolarHBondContact O-CB 3.32Å; L254-Y258 PolarHBondContact O-N 2.75Å; T255-Y258 PolarHBondContact O-N 3.18Å; H256-Y258 VanDerWaalsContact C-N 3.31Å; H256-Y258 PolarHBondContact O-N 3.3Å; Y258-I261 PolarHBondContact O-N 3.16Å; Y258-T262 HydrophobicContact CD1-CG2 4.48Å; Y258-T262 HydrophobicContact CD2-CG2 3.97Å; Y258-T262 HydrophobicContact CE1-CG2 4.07Å; Y258-T262 HydrophobicContact CE2-CG2 3.52Å; Y258-T262 HydrophobicContact CG-CG2 4.44Å; Y258-T262 WeakPolarHBondContact O-CB 3.24Å; Y258-T262 WeakPolarHBondContact O-CG2 3.48Å; Y258-T262 PolarHBondContact O-N 3.41Å; Y258-T262 PolarHBondContact O-OG1 3.31Å; Y258-V292 HydrophobicContact CD2-CB 4.2Å; Y258-V292 HydrophobicContact CD2-CG1 3.81Å; Y258-V294 HydrophobicContact CD2-CG1 4.18Å; Y258-V294 HydrophobicContact CE2-CG1 3.46Å; Y258-V294 VanDerWaalsContact CE2-CG1 3.46Å; Y258-D298 PolarHBondContact OH-O 2.93Å; Y258-P300 HydrophobicContact CD1-CB 4.28Å; Y258-P300 HydrophobicContact CD1-CG 4.04Å; Y258-P300 HydrophobicContact CD2-CB 3.96Å; Y258-P300 HydrophobicContact CG-CB 3.7Å; Y258-P300 HydrophobicContact CG-CG 3.92Å
259S89Confident78.9Confident59 Ų5948 Ų4841%0.41329%0.287SS..Hα-helixtrans-62.5-43.5175.9-171.80000111.3T255 H256 I261 T262 S263T255-S259 WeakPolarHBondContact O-CB 3.45Å; T255-S259 PolarHBondContact O-N 3.09Å; H256-S259 PolarHBondContact O-N 2.8Å; S259-I261 VanDerWaalsContact C-N 3.33Å; S259-I261 PolarHBondContact O-N 3.16Å; S259-T262 PolarHBondContact O-OG1 3.33Å; S259-S263 WeakPolarHBondContact O-CB 3.29Å; S259-S263 PolarHBondContact O-N 2.79Å; S259-S263 PolarHBondContact O-OG 2.68Å
260Y84.5Confident76.4Confident31 Ų3150.5 Ų50.512%0.12231%0.305CS..Hα-helixtrans-60.2-46.3177178.5-96.9000111.2H256 I257 N265 T275 M278 I367H256-Y260 WeakPolarHBondContact O-CB 3.48Å; H256-Y260 PolarHBondContact O-N 3.17Å; I257-Y260 PolarHBondContact O-N 3.21Å; Y260-N265 PolarHBondContact OH-ND2 3.34Å; Y260-T275 HydrophobicContact CE1-CG2 4.45Å; Y260-M278 HydrophobicContact CD1-CE 4.13Å; Y260-M278 HydrophobicContact CD1-SD 3.45Å; Y260-M278 WeakPolarHBondContact CD1-SD 3.35Å; Y260-M278 HydrophobicContact CE1-CG 4.27Å; Y260-M278 HydrophobicContact CE1-SD 3.69Å; Y260-M278 HydrophobicContact CG-SD 4.25Å; Y260-I367 PolarHBondContact OH-O 3.2Å
261I84.7Confident74.1Confident3 Ų359.2 Ų59.22%0.01535%0.352CS..Hα-helixtrans-61.5-53.3179-84.5168000111I107 I257 Y258 S259 G264 M278 V292I107-I261 VanDerWaalsContact CD1-C 3.44Å; I107-I261 VanDerWaalsContact CD1-CA 3.46Å; I107-I261 HydrophobicContact CD1-CB 3.52Å; I107-I261 HydrophobicContact CD1-CG1 3.77Å; I107-I261 HydrophobicContact CD1-CG2 3.22Å; I107-I261 WeakPolarHBondContact CD1-O 3.27Å; I107-I261 HydrophobicContact CG1-CB 4.03Å; I107-I261 HydrophobicContact CG1-CG1 4.01Å; I107-I261 HydrophobicContact CG1-CG2 3.38Å; I107-I261 HydrophobicContact CG2-CG2 4.43Å; I257-I261 HydrophobicContact CG2-CD1 3.7Å; I257-I261 VanDerWaalsContact O-CB 3.28Å; I257-I261 WeakPolarHBondContact O-CB 3.46Å; I257-I261 WeakPolarHBondContact O-CG1 3.31Å; I257-I261 PolarHBondContact O-N 3.27Å; Y258-I261 PolarHBondContact O-N 3.16Å; S259-I261 VanDerWaalsContact C-N 3.33Å; S259-I261 PolarHBondContact O-N 3.16Å; I261-G264 PolarHBondContact O-N 2.81Å; I261-M278 HydrophobicContact CD1-CE 3.9Å; I261-M278 HydrophobicContact CG1-CE 4.13Å; I261-V292 HydrophobicContact CD1-CG2 3.76Å
262T83.3Confident72.2Confident70 Ų7064.7 Ų64.743%0.42938%0.375SS..Hα-helixtrans-76.5-28.1-174.9520000114.7Y258 S259 G264Y258-T262 HydrophobicContact CD1-CG2 4.48Å; Y258-T262 HydrophobicContact CD2-CG2 3.97Å; Y258-T262 HydrophobicContact CE1-CG2 4.07Å; Y258-T262 HydrophobicContact CE2-CG2 3.52Å; Y258-T262 HydrophobicContact CG-CG2 4.44Å; Y258-T262 WeakPolarHBondContact O-CB 3.24Å; Y258-T262 WeakPolarHBondContact O-CG2 3.48Å; Y258-T262 PolarHBondContact O-N 3.41Å; Y258-T262 PolarHBondContact O-OG1 3.31Å; S259-T262 PolarHBondContact O-OG1 3.33Å; T262-G264 PolarHBondContact O-N 2.77Å
263S79.9Confident70.7Confident90 Ų9061.5 Ų61.563%0.62937%0.373SS*.Hα-helixtrans-68-17.5177.3-59.80000112.2S259S259-S263 WeakPolarHBondContact O-CB 3.29Å; S259-S263 PolarHBondContact O-N 2.79Å; S259-S263 PolarHBondContact O-OG 2.68Å
264G63Low69.7Low10 Ų1063.4 Ų63.410%0.10338%0.384CS..  trans61.894.6175.800000111.8I261 T262 S266I261-G264 PolarHBondContact O-N 2.81Å; T262-G264 PolarHBondContact O-N 2.77Å; G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 2.9Å
265N55.3Low69.3Low64 Ų6463.6 Ų63.634%0.34239%0.385SS..  trans-62.6104.9160.1-100.5-12.2000106.9Y260 H267Y260-N265 PolarHBondContact OH-ND2 3.34Å; N265-H267 PolarHBondContact O-N 3.06Å
266S45.9Very low69.3Low109 Ų10960.3 Ų60.376%0.76237%0.365SS*.  trans-68.969.2174.8-60.80000108.5G264 G268G264-S266 VanDerWaalsContact C-N 3.32Å; G264-S266 PolarHBondContact O-N 2.9Å; S266-G268 VanDerWaalsContact C-N 3.26Å; S266-G268 PolarHBondContact O-N 3.39Å
267H50.6Low69.5Low55 Ų5557.7 Ų57.726%0.25535%0.353SS..  trans-67.197.6159.6-65.4-58.7000104.5N265 I269 N368N265-H267 PolarHBondContact O-N 3.06Å; H267-I269 HydrophobicContact CB-CD1 4.2Å; H267-I269 PolarHBondContact O-N 3.15Å; H267-N368 PolarHBondContact CE1-O 3.36Å
268G42Very low69.6Low82 Ų8257.8 Ų57.885%0.84535%0.353SS*.THydrogen-bonded Turntrans-6258.3-161.800000117S266S266-G268 VanDerWaalsContact C-N 3.26Å; S266-G268 PolarHBondContact O-N 3.39Å
269I48.7Very low69.8Low80 Ų8055.7 Ų55.741%0.4135%0.345SS..THydrogen-bonded Turntrans-111.8-25.5-171.7-62.9156.1000110.9I140 E142 H267I140-I269 HydrophobicContact CG2-CD1 3.4Å; E142-I269 WeakPolarHBondContact OE2-CD1 3.19Å; H267-I269 HydrophobicContact CB-CD1 4.2Å; H267-I269 PolarHBondContact O-N 3.15Å
270S42.2Very low70.2Confident69 Ų6953 Ų5348%0.48333%0.326SS..SBendtrans-154.1159.7172.6610000112.3E272S270-E272 PolarHBondContact O-N 3.19Å; S270-E272 PolarHBondContact OG-O 2.79Å
271N47.2Very low70.8Confident184 Ų18452.5 Ų52.598%0.98433%0.325SS*.SBendtrans-63.6-1.5174-86.6-6.5000113.8
272E51.9Low71.3Confident146 Ų14653.5 Ų53.568%0.68233%0.329SS*.SBendtrans-103128.5172.4-68.2-176.1175.300108.5S270 V274S270-E272 PolarHBondContact O-N 3.19Å; S270-E272 PolarHBondContact OG-O 2.79Å; E272-V274 VanDerWaalsContact C-N 3.27Å; E272-V274 HydrophobicContact CB-CG2 4.09Å; E272-V274 PolarHBondContact O-N 2.72Å
273S61.4Low71.7Confident68 Ų6858.3 Ų58.348%0.47635%0.347SS..  trans-70.183.2174.555.70000110.1
274V71.6Confident72.3Confident41 Ų4157.3 Ų57.325%0.24835%0.351CS..PPolyproline II helixtrans-90.8132.5177.1-168.30000109.2I107 V109 E272I107-V274 WeakPolarHBondContact O-CA 3.5Å; I107-V274 WeakPolarHBondContact O-CG1 3.42Å; V109-V274 HydrophobicContact CB-CG1 4.14Å; V109-V274 HydrophobicContact CG2-CB 4.29Å; V109-V274 HydrophobicContact CG2-CG1 3.38Å; E272-V274 VanDerWaalsContact C-N 3.27Å; E272-V274 HydrophobicContact CB-CG2 4.09Å; E272-V274 PolarHBondContact O-N 2.72Å
275T86Confident73.8Confident3 Ų357.9 Ų57.92%0.01835%0.351CS..BIsolated β-bridgetrans-99.6168.3175.460.70000112.1I107 S108 V109 Y260I107-T275 HydrophobicContact CD1-CG2 3.45Å; I107-T275 VanDerWaalsContact CD1-CG2 3.45Å; I107-T275 WeakPolarHBondContact CD1-OG1 3.33Å; I107-T275 WeakPolarHBondContact CG1-OG1 3.39Å; I107-T275 PolarHBondContact O-N 2.87Å; S108-T275 CarbonylContact C-O 3.42Å; S108-T275 VanDerWaalsContact CA-O 3.26Å; S108-T275 WeakPolarHBondContact CA-O 3.22Å; V109-T275 PolarHBondContact N-O 3.19Å; Y260-T275 HydrophobicContact CE1-CG2 4.45Å
276L92.2Very high75.8Confident3 Ų354.9 Ų54.92%0.01634%0.335CS..PPolyproline II helixtrans-88.9153.3170-70.1172.8000111.1V109 L137 I140 F143 I367V109-L276 HydrophobicContact CG2-CD2 4.27Å; L137-L276 HydrophobicContact CD2-CD1 3.76Å; L137-L276 HydrophobicContact CD2-CD2 3.77Å; L137-L276 HydrophobicContact CD2-CG 4.43Å; I140-L276 HydrophobicContact CD1-CD2 3.54Å; F143-L276 HydrophobicContact CE2-CD1 4.34Å; F143-L276 HydrophobicContact CZ-CD1 4.17Å; L276-I367 HydrophobicContact CB-CB 4.28Å; L276-I367 HydrophobicContact CD1-CB 3.72Å; L276-I367 HydrophobicContact CD1-CG2 3.51Å
277P94.8Very high78.3Confident0 Ų052.4 Ų52.40%031%0.309CS..PPolyproline II helixtrans-60.1145.7171.623.4-30.8000110.7S108 I133 S136 I288 V289S108-P277 WeakPolarHBondContact OG-CD 3.46Å; I133-P277 HydrophobicContact CG1-CG 4.33Å; S136-P277 VanDerWaalsContact OG-CD 3.31Å; S136-P277 WeakPolarHBondContact OG-CD 3.39Å; S136-P277 WeakPolarHBondContact OG-CG 3.44Å; P277-I288 HydrophobicContact CB-CG2 3.43Å; P277-I288 VanDerWaalsContact CB-CG2 3.43Å; P277-V289 WeakPolarHBondContact CA-O 3.39Å
278M95.2Very high80.5Confident2 Ų249.8 Ų49.81%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-113.5145177.4-61174.9-69.700110.1I257 Y260 I261 I288 V289 L364 L365 Q366I257-M278 HydrophobicContact CB-CE 4.34Å; I257-M278 HydrophobicContact CG1-CE 4.19Å; I257-M278 HydrophobicContact CG2-CE 3.71Å; Y260-M278 HydrophobicContact CD1-CE 4.13Å; Y260-M278 HydrophobicContact CD1-SD 3.45Å; Y260-M278 WeakPolarHBondContact CD1-SD 3.35Å; Y260-M278 HydrophobicContact CE1-CG 4.27Å; Y260-M278 HydrophobicContact CE1-SD 3.69Å; Y260-M278 HydrophobicContact CG-SD 4.25Å; I261-M278 HydrophobicContact CD1-CE 3.9Å; I261-M278 HydrophobicContact CG1-CE 4.13Å; M278-I288 CarbonylContact O-C 3.57Å; M278-I288 WeakPolarHBondContact O-CA 3.26Å; M278-V289 HydrophobicContact CB-CB 4.44Å; M278-V289 HydrophobicContact CE-CB 4.37Å; M278-V289 HydrophobicContact CE-CG1 4.14Å; M278-V289 PolarHBondContact N-O 3.33Å; M278-V289 PolarHBondContact O-N 2.81Å; M278-L364 HydrophobicContact CB-CD1 3.7Å; M278-L364 HydrophobicContact CB-CG 4.32Å; M278-L364 HydrophobicContact SD-CD1 4.28Å; M278-L364 HydrophobicContact SD-CD2 3.91Å; M278-L364 HydrophobicContact SD-CG 4.33Å; M278-L365 WeakPolarHBondContact CA-O 3.32Å; M278-Q366 HydrophobicContact CG-CG 4.09Å; M278-Q366 HydrophobicContact SD-CG 3.85Å
279L97.4Very high83.1Confident0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-92.9118.6175177.7161.5000109.1N129 I133 M224 Q281 R287 I288 L364 L365N129-L279 HydrophobicContact CB-CD1 3.9Å; I133-L279 HydrophobicContact CD1-CB 4.07Å; M224-L279 HydrophobicContact CE-CD1 3.87Å; M224-L279 HydrophobicContact CG-CD1 4.49Å; L279-Q281 HydrophobicContact CD2-CB 3.68Å; L279-R287 CarbonylContact C-O 3.57Å; L279-R287 WeakPolarHBondContact CA-O 3.38Å; L279-I288 HydrophobicContact CB-CD1 3.88Å; L279-I288 HydrophobicContact CG-CD1 4.36Å; L279-L364 CarbonylContact O-C 3.4Å; L279-L364 WeakPolarHBondContact O-CA 3.5Å; L279-L365 HydrophobicContact CB-CB 4.2Å; L279-L365 HydrophobicContact CD2-CB 4.43Å; L279-L365 PolarHBondContact N-O 3.44Å; L279-L365 PolarHBondContact O-N 3.35Å
280L97.6Very high85.3Confident4 Ų442.3 Ų42.32%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-97.4117.3172.1178.368.5000109L253 S286 R287 V289 L303 L357 Y362 L364L253-L280 HydrophobicContact CD1-CD1 4.3Å; L253-L280 HydrophobicContact CD2-CD1 3.88Å; L280-S286 CarbonylContact O-C 3.59Å; L280-S286 VanDerWaalsContact O-CA 3.24Å; L280-S286 WeakPolarHBondContact O-CA 3.49Å; L280-R287 PolarHBondContact N-O 3.42Å; L280-R287 PolarHBondContact O-N 2.95Å; L280-V289 HydrophobicContact CB-CG2 3.82Å; L280-V289 HydrophobicContact CD2-CG2 4.47Å; L280-L303 HydrophobicContact CD2-CD1 3.69Å; L280-L357 HydrophobicContact CD2-CD2 4.26Å; L280-Y362 HydrophobicContact CD1-CD1 3.72Å; L280-Y362 HydrophobicContact CD1-CG 4.28Å; L280-Y362 HydrophobicContact CD2-CD1 4.44Å; L280-Y362 HydrophobicContact CD2-CE1 4.48Å; L280-Y362 HydrophobicContact CG-CD1 4.11Å; L280-L364 HydrophobicContact CB-CD1 4.39Å; L280-L364 HydrophobicContact CD1-CD1 4.43Å
281Q96.7Very high87.8Confident19 Ų1939 Ų399%0.08922%0.215CC..EExtended strand (participates in β ladder)trans-118.7145.5-179-176.416310.800111.3L219 A221 L279 Y362 Q363L219-Q281 PolarHBondContact O-NE2 3.08Å; A221-Q281 VanDerWaalsContact N-OE1 3.07Å; L279-Q281 HydrophobicContact CD2-CB 3.68Å; Q281-Y362 CarbonylContact O-C 3.59Å; Q281-Y362 WeakPolarHBondContact O-CA 3.47Å; Q281-Q363 HydrophobicContact CB-CB 4.48Å; Q281-Q363 PolarHBondContact N-O 3.05Å; Q281-Q363 PolarHBondContact O-N 3.01Å
282H95.1Very high90.1Very high25 Ų2530.2 Ų30.212%0.11617%0.168CC..EExtended strand (participates in β ladder)trans-142-179.5165.16082000108.5G284 H285 Q359 Y362H282-G284 PolarHBondContact O-N 3.04Å; H282-G284 VanDerWaalsContact O-N 3.15Å; H282-H285 PolarHBondContact N-O 3.11Å; H282-H285 PolarHBondContact O-N 2.86Å; H282-Q359 HydrophobicContact CB-CB 3.91Å; H282-Q359 HydrophobicContact CB-CG 3.88Å; H282-Y362 HydrophobicContact CB-CD1 3.82Å; H282-Y362 HydrophobicContact CB-CE1 3.88Å; H282-Y362 AromaticContact CD2-CE1 3.7Å
283E92Very high92.2Very high170 Ų17023.9 Ų23.979%0.79414%0.138SC*.THydrogen-bonded Turntrans-57.1124176.3-169.9179.8172.900110.7H285E283-H285 PolarHBondContact O-N 3.17Å
284G90.8Very high93.8Very high69 Ų6920.7 Ų20.771%0.71112%0.116SC*.THydrogen-bonded Turntrans84.9-12.7174.600000116.7H282H282-G284 PolarHBondContact O-N 3.04Å; H282-G284 VanDerWaalsContact O-N 3.15Å
285H95.5Very high94.8Very high23 Ų2321.2 Ų21.211%0.10612%0.118CC..EExtended strand (participates in β ladder)trans-155.5160.3179.7-156.542.6000114.6H282 E283 D307 D309H282-H285 PolarHBondContact N-O 3.11Å; H282-H285 PolarHBondContact O-N 2.86Å; E283-H285 PolarHBondContact O-N 3.17Å; H285-D307 IonicContact CD2-OD2 3.99Å; H285-D307 IonicContact CE1-OD1 3.4Å; H285-D307 PolarHBondContact CE1-OD1 2.86Å; H285-D307 VanDerWaalsContact NE2-CG 3.34Å; H285-D307 IonicContact NE2-OD1 2.72Å; H285-D307 PolarHBondContact NE2-OD1 3.22Å; H285-D307 IonicContact NE2-OD2 3.72Å; H285-D307 PolarHBondContact NE2-OD2 3.27Å; H285-D309 IonicContact CE1-OD1 2.67Å; H285-D309 IonicContact CE1-OD2 3.41Å
286S97Very high95.2Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-144151.517162.50000111.8C126 N129 L280 P308C126-S286 PolarHBondContact SG-OG 3.47Å; N129-S286 PolarHBondContact ND2-O 2.8Å; N129-S286 PolarHBondContact ND2-OG 3.31Å; L280-S286 CarbonylContact O-C 3.59Å; L280-S286 VanDerWaalsContact O-CA 3.24Å; L280-S286 WeakPolarHBondContact O-CA 3.49Å; S286-P308 WeakPolarHBondContact O-CD 3.41Å
287R97.6Very high95.3Very high58 Ų5835 Ų3522%0.21919%0.186CC..EExtended strand (participates in β ladder)trans-136.8163178.9-59-175.9-177.5108.72.6110.4N129 L279 L280 V305 D307N129-R287 PolarHBondContact ND2-N 3.37Å; L279-R287 CarbonylContact C-O 3.57Å; L279-R287 WeakPolarHBondContact CA-O 3.38Å; L280-R287 PolarHBondContact N-O 3.42Å; L280-R287 PolarHBondContact O-N 2.95Å; R287-V305 HydrophobicContact CB-CB 4.22Å; R287-D307 HydrophobicContact CG-CB 4.18Å; R287-D307 IonicContact CZ-OD2 3.34Å; R287-D307 IonicContact NE-OD2 2.75Å; R287-D307 PolarHBondContact NE-OD2 3.49Å; R287-D307 IonicContact NH2-OD2 3.36Å; R287-D307 PolarHBondContact NH2-OD2 3.41Å
288I97.8Very high95.1Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-99.6125172.2-64.5-57.4000110.1N129 C132 I133 P277 M278 L279 I290 V305 L306N129-I288 HydrophobicContact CB-CD1 3.69Å; N129-I288 HydrophobicContact CB-CG1 3.93Å; C132-I288 HydrophobicContact CB-CG1 3.95Å; I133-I288 HydrophobicContact CD1-CD1 3.94Å; I133-I288 HydrophobicContact CG1-CD1 3.86Å; P277-I288 HydrophobicContact CB-CG2 3.43Å; P277-I288 VanDerWaalsContact CB-CG2 3.43Å; M278-I288 CarbonylContact O-C 3.57Å; M278-I288 WeakPolarHBondContact O-CA 3.26Å; L279-I288 HydrophobicContact CB-CD1 3.88Å; L279-I288 HydrophobicContact CG-CD1 4.36Å; I288-I290 HydrophobicContact CG2-CG2 3.89Å; I288-V305 CarbonylContact O-C 3.53Å; I288-V305 WeakPolarHBondContact O-CA 3.43Å; I288-V305 WeakPolarHBondContact O-CB 3.45Å; I288-L306 HydrophobicContact CB-CB 4.29Å; I288-L306 PolarHBondContact N-O 3.33Å; I288-L306 PolarHBondContact O-N 2.91Å
289V96.9Very high95Very high2 Ų246.1 Ų46.11%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-84.8122.6171.2-1770000108.9I257 P277 M278 L280 L303 V305I257-V289 HydrophobicContact CG2-CG1 4.08Å; P277-V289 WeakPolarHBondContact CA-O 3.39Å; M278-V289 HydrophobicContact CB-CB 4.44Å; M278-V289 HydrophobicContact CE-CB 4.37Å; M278-V289 HydrophobicContact CE-CG1 4.14Å; M278-V289 PolarHBondContact N-O 3.33Å; M278-V289 PolarHBondContact O-N 2.81Å; L280-V289 HydrophobicContact CB-CG2 3.82Å; L280-V289 HydrophobicContact CD2-CG2 4.47Å; V289-L303 HydrophobicContact CG1-CD2 4.26Å; V289-L303 HydrophobicContact CG2-CD1 4.28Å; V289-V305 HydrophobicContact CG2-CG1 4.21Å
290I95.4Very high94.8Very high2 Ų247.3 Ų47.31%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-114.8-7.8-179.858.3165000113.5I88 L91 L106 S108 I288 I304 L306 M350I88-I290 HydrophobicContact CD1-CB 4.07Å; I88-I290 HydrophobicContact CD1-CD1 4.47Å; I88-I290 HydrophobicContact CD1-CG2 4.07Å; I88-I290 HydrophobicContact CG1-CB 4.48Å; I88-I290 HydrophobicContact CG1-CD1 3.97Å; L91-I290 HydrophobicContact CD1-CD1 3.98Å; L106-I290 HydrophobicContact CD2-CD1 4.35Å; S108-I290 WeakPolarHBondContact CB-O 3.42Å; I288-I290 HydrophobicContact CG2-CG2 3.89Å; I290-I304 HydrophobicContact CD1-CG2 4.03Å; I290-I304 HydrophobicContact CG1-CB 4.33Å; I290-I304 HydrophobicContact CG1-CG2 3.91Å; I290-I304 WeakPolarHBondContact CG1-O 3.45Å; I290-I304 PolarHBondContact N-O 3.19Å; I290-L306 HydrophobicContact CD1-CD2 4.01Å; I290-L306 HydrophobicContact CD1-CG 4.02Å; I290-L306 HydrophobicContact CG1-CG 4.45Å; I290-L306 HydrophobicContact CG2-CD1 3.78Å; I290-L306 HydrophobicContact CG2-CG 3.92Å; I290-M350 HydrophobicContact CD1-CE 4.09Å
291G94.3Very high94.7Very high0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans179-177.1-179.500000113.1N105 I304N105-G291 WeakPolarHBondContact O-CA 3.47Å; G291-I304 PolarHBondContact N-O 2.91Å; G291-I304 PolarHBondContact O-N 3.47Å
292V95.3Very high94.7Very high0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-135.1135.9179.1173.60000108.9N105 L254 I257 Y258 I261 V294 P300 A302 L303N105-V292 WeakPolarHBondContact CB-O 3.39Å; N105-V292 PolarHBondContact N-O 3.43Å; N105-V292 PolarHBondContact O-N 3.17Å; L254-V292 HydrophobicContact CD1-CG1 4.33Å; I257-V292 HydrophobicContact CG2-CG2 3.76Å; Y258-V292 HydrophobicContact CD2-CB 4.2Å; Y258-V292 HydrophobicContact CD2-CG1 3.81Å; I261-V292 HydrophobicContact CD1-CG2 3.76Å; V292-V294 HydrophobicContact CG1-CG1 4.46Å; V292-P300 HydrophobicContact CG1-CB 3.67Å; V292-A302 CarbonylContact C-O 3.6Å; V292-A302 WeakPolarHBondContact CA-O 3.44Å; V292-A302 WeakPolarHBondContact CG1-O 3.5Å; V292-L303 HydrophobicContact CG2-CD2 4.17Å
293E95.4Very high94.7Very high13 Ų1348.3 Ų48.36%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-83.7133.6164.8-178.9179.8-132.300109.6N101 R103 W104 L301 A302 I304 R351N101-E293 PolarHBondContact ND2-OE1 2.75Å; R103-E293 WeakPolarHBondContact O-CA 3.14Å; W104-E293 PolarHBondContact NE1-OE1 2.93Å; E293-L301 PolarHBondContact O-N 3.41Å; E293-A302 HydrophobicContact CB-CB 4.14Å; E293-A302 PolarHBondContact N-O 3.03Å; E293-A302 PolarHBondContact O-N 2.63Å; E293-I304 HydrophobicContact CB-CD1 4.14Å; E293-R351 IonicContact OE1-NE 2.76Å; E293-R351 IonicContact OE2-CZ 3.77Å; E293-R351 IonicContact OE2-NE 2.59Å; E293-R351 PolarHBondContact OE2-NE 2.86Å; E293-R351 IonicContact OE2-NH2 3.32Å; E293-R351 PolarHBondContact OE2-NH2 2.87Å
294V94.8Very high95Very high1 Ų140.2 Ų40.21%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-106.8161.2173.1-60.10000112.6R103 Y258 V292 K299R103-V294 HydrophobicContact CB-CG2 3.84Å; R103-V294 WeakPolarHBondContact CB-O 3.35Å; R103-V294 WeakPolarHBondContact CD-O 3.37Å; R103-V294 HydrophobicContact CG-CG2 4.34Å; R103-V294 PolarHBondContact NE-O 2.63Å; R103-V294 PolarHBondContact O-N 3.11Å; Y258-V294 HydrophobicContact CD2-CG1 4.18Å; Y258-V294 HydrophobicContact CE2-CG1 3.46Å; Y258-V294 VanDerWaalsContact CE2-CG1 3.46Å; V292-V294 HydrophobicContact CG1-CG1 4.46Å; V294-K299 CarbonylContact C-O 3.59Å; V294-K299 WeakPolarHBondContact CA-O 3.28Å; V294-K299 WeakPolarHBondContact CB-O 3.45Å
295D94.1Very high95.3Very high52 Ų5237 Ų3728%0.27818%0.182SC..  trans-87.4-168.3169.37012.3000112.2R103 D297 D298 K299R103-D295 WeakPolarHBondContact CD-O 3.12Å; D295-D297 PolarHBondContact O-N 2.76Å; D295-D297 WeakPolarHBondContact OD1-CA 3.34Å; D295-D297 PolarHBondContact OD1-N 3.3Å; D295-D298 PolarHBondContact O-N 3.03Å; D295-D298 PolarHBondContact OD1-N 3.41Å; D295-K299 PolarHBondContact N-O 3.18Å; D295-K299 WeakPolarHBondContact OD1-CB 3.42Å; D295-K299 PolarHBondContact OD1-N 3.12Å; D295-K299 WeakPolarHBondContact OD2-CB 3.27Å
296E93Very high95.4Very high166 Ų16636 Ų3678%0.77618%0.177SC*.THydrogen-bonded Turntrans-71.1-17.9-178.4-62.9178.9175.200113.5
297D93.7Very high95.4Very high130 Ų13036.8 Ų36.870%0.69518%0.182SC*.THydrogen-bonded Turntrans-101.918.5178.3-67.7-44.8000111.8D295 K299D295-D297 PolarHBondContact O-N 2.76Å; D295-D297 WeakPolarHBondContact OD1-CA 3.34Å; D295-D297 PolarHBondContact OD1-N 3.3Å; D297-K299 HydrophobicContact CB-CG 4.2Å; D297-K299 PolarHBondContact O-N 2.95Å
298D90.7Very high95.4Very high105 Ų10534 Ų3456%0.56117%0.171SC*.SBendtrans55.527.7-174.5-70.5-47000113.6Y258 D295Y258-D298 PolarHBondContact OH-O 2.93Å; D295-D298 PolarHBondContact O-N 3.03Å; D295-D298 PolarHBondContact OD1-N 3.41Å
299K93.2Very high95.4Very high129 Ų12938.7 Ų38.756%0.56120%0.196SC*.  trans-87.9142.4173.6-55.6-58.1-179-169.20110.8V294 D295 D297 L301V294-K299 CarbonylContact C-O 3.59Å; V294-K299 WeakPolarHBondContact CA-O 3.28Å; V294-K299 WeakPolarHBondContact CB-O 3.45Å; D295-K299 PolarHBondContact N-O 3.18Å; D295-K299 WeakPolarHBondContact OD1-CB 3.42Å; D295-K299 PolarHBondContact OD1-N 3.12Å; D295-K299 WeakPolarHBondContact OD2-CB 3.27Å; D297-K299 HydrophobicContact CB-CG 4.2Å; D297-K299 PolarHBondContact O-N 2.95Å; K299-L301 PolarHBondContact O-N 3.4Å
300P94.5Very high95.3Very high25 Ų2539.5 Ų39.516%0.16220%0.201CC..EExtended strand (participates in β ladder)trans-71.2128.6-178.232.8-37.5000110.8L254 Y258 V292L254-P300 HydrophobicContact CD1-CB 4.12Å; L254-P300 HydrophobicContact CD2-CB 4.06Å; L254-P300 HydrophobicContact CD2-CG 4.46Å; L254-P300 VanDerWaalsContact CD2-O 3.27Å; L254-P300 WeakPolarHBondContact CD2-O 3.13Å; L254-P300 HydrophobicContact CG-CB 3.79Å; L254-P300 HydrophobicContact CG-CG 4.15Å; Y258-P300 HydrophobicContact CD1-CB 4.28Å; Y258-P300 HydrophobicContact CD1-CG 4.04Å; Y258-P300 HydrophobicContact CD2-CB 3.96Å; Y258-P300 HydrophobicContact CG-CB 3.7Å; Y258-P300 HydrophobicContact CG-CG 3.92Å; V292-P300 HydrophobicContact CG1-CB 3.67Å
301L94.6Very high95.4Very high70 Ų7041.2 Ų41.237%0.36621%0.213SC..EExtended strand (participates in β ladder)trans-111.5-40.3-173.9-178.565.3000112.8E293 K299E293-L301 PolarHBondContact O-N 3.41Å; K299-L301 PolarHBondContact O-N 3.4Å
302A96.2Very high95.4Very high0 Ų041.8 Ų41.80%022%0.218CC..EExtended strand (participates in β ladder)trans-151.3154.6-177.900000111.8V292 E293 R351 V352 D353V292-A302 CarbonylContact C-O 3.6Å; V292-A302 WeakPolarHBondContact CA-O 3.44Å; V292-A302 WeakPolarHBondContact CG1-O 3.5Å; E293-A302 HydrophobicContact CB-CB 4.14Å; E293-A302 PolarHBondContact N-O 3.03Å; E293-A302 PolarHBondContact O-N 2.63Å; A302-R351 HydrophobicContact CB-CG 3.98Å; A302-V352 CarbonylContact C-O 3.47Å; A302-V352 WeakPolarHBondContact CA-O 3.35Å; A302-V352 WeakPolarHBondContact CB-O 3.3Å; A302-D353 HydrophobicContact CB-CB 4.09Å
303L97Very high95.5Very high0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-84.3141.4168.2-59.2179.7000110L254 I257 L280 V289 V292 V305 V352 L357L254-L303 HydrophobicContact CD1-CD2 3.34Å; L254-L303 HydrophobicContact CD1-CG 3.89Å; I257-L303 HydrophobicContact CB-CD2 4.24Å; I257-L303 HydrophobicContact CD1-CD1 3.92Å; I257-L303 HydrophobicContact CD1-CD2 3.76Å; I257-L303 HydrophobicContact CG2-CD2 3.68Å; L280-L303 HydrophobicContact CD2-CD1 3.69Å; V289-L303 HydrophobicContact CG1-CD2 4.26Å; V289-L303 HydrophobicContact CG2-CD1 4.28Å; V292-L303 HydrophobicContact CG2-CD2 4.17Å; L303-V305 HydrophobicContact CB-CG1 3.93Å; L303-V352 HydrophobicContact CB-CB 4.37Å; L303-V352 PolarHBondContact N-O 3.27Å; L303-V352 PolarHBondContact O-N 3.3Å; L303-L357 HydrophobicContact CD1-CD1 4.14Å; L303-L357 HydrophobicContact CD1-CD2 4.09Å; L303-L357 HydrophobicContact CG-CD1 4.39Å
304I96.9Very high95.5Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-100.7119.9166.9-50.2-50.8000108W104 L106 I290 G291 E293 M350W104-I304 HydrophobicContact CD2-CD1 3.47Å; W104-I304 VanDerWaalsContact CD2-CD1 3.47Å; W104-I304 HydrophobicContact CD2-CG1 3.88Å; W104-I304 VanDerWaalsContact CE2-CD1 3.43Å; W104-I304 HydrophobicContact CE3-CB 4.42Å; W104-I304 HydrophobicContact CE3-CD1 3.71Å; W104-I304 HydrophobicContact CE3-CG1 3.84Å; W104-I304 HydrophobicContact CE3-CG2 3.69Å; W104-I304 HydrophobicContact CG-CD1 4.04Å; W104-I304 HydrophobicContact CG-CG1 4.25Å; W104-I304 HydrophobicContact CH2-CD1 3.92Å; W104-I304 HydrophobicContact CH2-CG2 4.28Å; W104-I304 HydrophobicContact CZ2-CD1 3.68Å; W104-I304 HydrophobicContact CZ3-CD1 3.93Å; W104-I304 HydrophobicContact CZ3-CG1 4.31Å; W104-I304 HydrophobicContact CZ3-CG2 3.53Å; L106-I304 HydrophobicContact CD2-CB 4.36Å; L106-I304 HydrophobicContact CD2-CG2 3.98Å; I290-I304 HydrophobicContact CD1-CG2 4.03Å; I290-I304 HydrophobicContact CG1-CB 4.33Å; I290-I304 HydrophobicContact CG1-CG2 3.91Å; I290-I304 WeakPolarHBondContact CG1-O 3.45Å; I290-I304 PolarHBondContact N-O 3.19Å; G291-I304 PolarHBondContact N-O 2.91Å; G291-I304 PolarHBondContact O-N 3.47Å; E293-I304 HydrophobicContact CB-CD1 4.14Å; I304-M350 CarbonylContact C-O 3.5Å; I304-M350 WeakPolarHBondContact CA-O 3.4Å
305V97.6Very high95.6Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-128153.9-169.9-53.70000113R287 I288 V289 L303 M350 V352R287-V305 HydrophobicContact CB-CB 4.22Å; I288-V305 CarbonylContact O-C 3.53Å; I288-V305 WeakPolarHBondContact O-CA 3.43Å; I288-V305 WeakPolarHBondContact O-CB 3.45Å; V289-V305 HydrophobicContact CG2-CG1 4.21Å; L303-V305 HydrophobicContact CB-CG1 3.93Å; V305-M350 PolarHBondContact N-O 2.62Å; V305-M350 WeakPolarHBondContact O-CA 3.48Å; V305-M350 WeakPolarHBondContact O-CB 3Å; V305-V352 HydrophobicContact CG1-CG2 4.19Å; V305-V352 HydrophobicContact CG2-CG2 3.62Å
306L98Very high95.7Very high2 Ų248 Ų481%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-103.5119.8162-58.6175.8000107.8I87 H113 I288 I290 M315 M350I87-L306 HydrophobicContact CD1-CD2 4.38Å; I87-L306 HydrophobicContact CG2-CD2 3.98Å; H113-L306 HydrophobicContact CB-CD1 4.38Å; I288-L306 HydrophobicContact CB-CB 4.29Å; I288-L306 PolarHBondContact N-O 3.33Å; I288-L306 PolarHBondContact O-N 2.91Å; I290-L306 HydrophobicContact CD1-CD2 4.01Å; I290-L306 HydrophobicContact CD1-CG 4.02Å; I290-L306 HydrophobicContact CG1-CG 4.45Å; I290-L306 HydrophobicContact CG2-CD1 3.78Å; I290-L306 HydrophobicContact CG2-CG 3.92Å; L306-M315 HydrophobicContact CD2-CE 4.02Å; L306-M315 HydrophobicContact CD2-SD 4.46Å; L306-M350 HydrophobicContact CD2-CE 3.6Å
307D97.4Very high95.8Very high18 Ų1840.1 Ų40.110%0.09621%0.205CC..  trans-102.1123.7177.1-169.8-29.3000109.2H113 H285 R287 D309 V310H113-D307 PolarHBondContact NE2-O 3.23Å; H285-D307 IonicContact CD2-OD2 3.99Å; H285-D307 IonicContact CE1-OD1 3.4Å; H285-D307 PolarHBondContact CE1-OD1 2.86Å; H285-D307 VanDerWaalsContact NE2-CG 3.34Å; H285-D307 IonicContact NE2-OD1 2.72Å; H285-D307 PolarHBondContact NE2-OD1 3.22Å; H285-D307 IonicContact NE2-OD2 3.72Å; H285-D307 PolarHBondContact NE2-OD2 3.27Å; R287-D307 HydrophobicContact CG-CB 4.18Å; R287-D307 IonicContact CZ-OD2 3.34Å; R287-D307 IonicContact NE-OD2 2.75Å; R287-D307 PolarHBondContact NE-OD2 3.49Å; R287-D307 IonicContact NH2-OD2 3.36Å; R287-D307 PolarHBondContact NH2-OD2 3.41Å; D307-D309 PolarHBondContact O-N 3.13Å; D307-D309 VanDerWaalsContact O-N 3.17Å; D307-D309 WeakPolarHBondContact OD1-CB 3.5Å; D307-D309 PolarHBondContact OD1-N 3.01Å; D307-V310 HydrophobicContact CB-CG2 4.09Å; D307-V310 WeakPolarHBondContact O-CB 3.38Å; D307-V310 PolarHBondContact O-N 2.97Å; D307-V310 VanDerWaalsContact O-N 3.11Å
308P97.5Very high95.9Very high0 Ų034 Ų340%017%0.172CC..THydrogen-bonded Turntrans-62.4-18.3177.326.6-34.8000113.1A115 S116 C125 R128 S286 V310A115-P308 CarbonylContact C-O 3.58Å; A115-P308 VanDerWaalsContact CA-O 3.28Å; A115-P308 WeakPolarHBondContact CA-O 3.45Å; S116-P308 PolarHBondContact N-O 3.39Å; C125-P308 HydrophobicContact CB-CG 3.68Å; R128-P308 HydrophobicContact CB-CB 3.91Å; R128-P308 HydrophobicContact CG-CB 4.49Å; S286-P308 WeakPolarHBondContact O-CD 3.41Å; P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 PolarHBondContact O-N 3.32Å
309D96.3Very high96.2Very high98 Ų9830.6 Ų30.652%0.52415%0.154SC..THydrogen-bonded Turntrans-79.5-11176.4-76.5-0.1000113.7H285 D307H285-D309 IonicContact CE1-OD1 2.67Å; H285-D309 IonicContact CE1-OD2 3.41Å; D307-D309 PolarHBondContact O-N 3.13Å; D307-D309 VanDerWaalsContact O-N 3.17Å; D307-D309 WeakPolarHBondContact OD1-CB 3.5Å; D307-D309 PolarHBondContact OD1-N 3.01Å
310V96.1Very high96.3Very high19 Ų1927.8 Ų27.812%0.11514%0.141CC..SBendtrans-73.2127.8167.3178.30000107.7H113 A115 D307 P308 A314 M315 V346 S349H113-V310 PolarHBondContact CE1-O 2.99Å; H113-V310 PolarHBondContact NE2-O 3.36Å; A115-V310 VanDerWaalsContact CB-O 3.27Å; A115-V310 WeakPolarHBondContact CB-O 3.28Å; D307-V310 HydrophobicContact CB-CG2 4.09Å; D307-V310 WeakPolarHBondContact O-CB 3.38Å; D307-V310 PolarHBondContact O-N 2.97Å; D307-V310 VanDerWaalsContact O-N 3.11Å; P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 PolarHBondContact O-N 3.32Å; V310-A314 HydrophobicContact CG1-CB 3.9Å; V310-M315 HydrophobicContact CB-CE 4.17Å; V310-M315 HydrophobicContact CG1-CB 4.49Å; V310-M315 HydrophobicContact CG1-CE 3.89Å; V310-V346 HydrophobicContact CG1-CG1 4.24Å; V310-S349 WeakPolarHBondContact CG2-OG 3.47Å
311S95.9Very high96.3Very high37 Ų3726.6 Ų26.626%0.25913%0.133SC..  trans-69.4151.9-178.274.20000111.7E313 A314 M315 Y341S311-E313 PolarHBondContact O-N 3.38Å; S311-A314 WeakPolarHBondContact O-CB 3.46Å; S311-A314 PolarHBondContact O-N 3.35Å; S311-A314 WeakPolarHBondContact OG-CB 3.41Å; S311-A314 PolarHBondContact OG-N 3.46Å; S311-M315 PolarHBondContact O-N 3Å; S311-Y341 PolarHBondContact OG-OH 2.91Å
312A96.2Very high96.3Very high12 Ų1223.2 Ų23.210%0.09912%0.116CC..Hα-helixtrans-58.4-35.7174.400000111.9T82 T84 A115 M315 R316T82-A312 WeakPolarHBondContact O-CB 3.32Å; T84-A312 WeakPolarHBondContact OG1-CA 3.46Å; T84-A312 PolarHBondContact OG1-O 2.95Å; A115-A312 HydrophobicContact CB-CB 4.34Å; A312-M315 PolarHBondContact O-N 3.28Å; A312-R316 WeakPolarHBondContact O-CB 3.22Å; A312-R316 WeakPolarHBondContact O-CG 3.38Å; A312-R316 PolarHBondContact O-N 3.06Å
313E95.7Very high96.3Very high90 Ų9027.4 Ų27.442%0.42114%0.138SC..Hα-helixtrans-66.3-40.3175.1-174.457.4-153.800111.6S311 Q317 K320 Y341S311-E313 PolarHBondContact O-N 3.38Å; E313-Q317 VanDerWaalsContact O-CD 3.32Å; E313-Q317 WeakPolarHBondContact O-CG 3.34Å; E313-Q317 PolarHBondContact O-NE2 3.11Å; E313-Q317 PolarHBondContact OE1-NE2 3.24Å; E313-K320 IonicContact OE1-NZ 3.2Å; E313-K320 PolarHBondContact OE1-NZ 2.93Å; E313-Y341 HydrophobicContact CB-CE2 4.17Å; E313-Y341 HydrophobicContact CG-CD2 4.26Å; E313-Y341 HydrophobicContact CG-CE2 3.94Å
314A96.2Very high96.1Very high5 Ų532.2 Ų32.24%0.04116%0.157CC..Hα-helixtrans-63.1-47.9174.200000111V310 S311 R316 Q317 Y341 V346V310-A314 HydrophobicContact CG1-CB 3.9Å; S311-A314 WeakPolarHBondContact O-CB 3.46Å; S311-A314 PolarHBondContact O-N 3.35Å; S311-A314 WeakPolarHBondContact OG-CB 3.41Å; S311-A314 PolarHBondContact OG-N 3.46Å; A314-R316 VanDerWaalsContact C-N 3.31Å; A314-R316 PolarHBondContact O-N 3.34Å; A314-Q317 VanDerWaalsContact O-CB 3.31Å; A314-Q317 WeakPolarHBondContact O-CB 3.34Å; A314-Q317 WeakPolarHBondContact O-CG 3.45Å; A314-Q317 PolarHBondContact O-N 2.93Å; A314-Y341 HydrophobicContact CB-CD1 3.8Å; A314-Y341 HydrophobicContact CB-CD2 4.27Å; A314-Y341 HydrophobicContact CB-CE1 3.75Å; A314-Y341 HydrophobicContact CB-CE2 4.22Å; A314-Y341 HydrophobicContact CB-CG 4.06Å; A314-V346 HydrophobicContact CB-CG2 4.03Å
315M97Very high95.9Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-61.1-38.2-179.6-164.462.876.500112.4T84 I87 H113 L306 V310 S311 A312 Q317 V318 V346 M350T84-M315 HydrophobicContact CG2-CB 4.06Å; T84-M315 HydrophobicContact CG2-CG 3.84Å; I87-M315 HydrophobicContact CD1-CG 3.32Å; I87-M315 HydrophobicContact CD1-SD 3.92Å; I87-M315 HydrophobicContact CG1-CG 3.83Å; I87-M315 HydrophobicContact CG1-SD 4.32Å; I87-M315 HydrophobicContact CG2-SD 4.17Å; H113-M315 HydrophobicContact CB-CE 4.48Å; H113-M315 HydrophobicContact CB-CG 4.35Å; L306-M315 HydrophobicContact CD2-CE 4.02Å; L306-M315 HydrophobicContact CD2-SD 4.46Å; V310-M315 HydrophobicContact CB-CE 4.17Å; V310-M315 HydrophobicContact CG1-CB 4.49Å; V310-M315 HydrophobicContact CG1-CE 3.89Å; S311-M315 PolarHBondContact O-N 3Å; A312-M315 PolarHBondContact O-N 3.28Å; M315-Q317 PolarHBondContact O-N 3.49Å; M315-Q317 VanDerWaalsContact O-N 3.11Å; M315-V318 WeakPolarHBondContact O-CB 3.48Å; M315-V318 PolarHBondContact O-N 2.59Å; M315-V346 HydrophobicContact SD-CG1 4.42Å; M315-M350 HydrophobicContact SD-SD 4.13Å
316R96.4Very high95.6Very high103 Ų10337.2 Ų37.239%0.38918%0.183SC..Hα-helixtrans-59.9-20.2174.4-77.9172.2-168.6-107.5-3.3113.9C83 T84 A312 A314 V318 I319 K320C83-R316 PolarHBondContact O-NH2 3.49Å; T84-R316 HydrophobicContact CG2-CG 3.78Å; A312-R316 WeakPolarHBondContact O-CB 3.22Å; A312-R316 WeakPolarHBondContact O-CG 3.38Å; A312-R316 PolarHBondContact O-N 3.06Å; A314-R316 VanDerWaalsContact C-N 3.31Å; A314-R316 PolarHBondContact O-N 3.34Å; R316-V318 VanDerWaalsContact C-N 3.29Å; R316-V318 PolarHBondContact O-N 2.91Å; R316-I319 WeakPolarHBondContact O-CB 3.46Å; R316-I319 PolarHBondContact O-N 2.72Å; R316-K320 WeakPolarHBondContact O-CG 3.42Å; R316-K320 PolarHBondContact O-N 3.35Å
317Q95.4Very high95.4Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-70.2-28.4175.9-51.5-35.7-26.400112.7E313 A314 M315 I319 K320 A321 F338 W343E313-Q317 VanDerWaalsContact O-CD 3.32Å; E313-Q317 WeakPolarHBondContact O-CG 3.34Å; E313-Q317 PolarHBondContact O-NE2 3.11Å; E313-Q317 PolarHBondContact OE1-NE2 3.24Å; A314-Q317 VanDerWaalsContact O-CB 3.31Å; A314-Q317 WeakPolarHBondContact O-CB 3.34Å; A314-Q317 WeakPolarHBondContact O-CG 3.45Å; A314-Q317 PolarHBondContact O-N 2.93Å; M315-Q317 PolarHBondContact O-N 3.49Å; M315-Q317 VanDerWaalsContact O-N 3.11Å; Q317-I319 VanDerWaalsContact C-N 3.34Å; Q317-K320 PolarHBondContact O-N 2.88Å; Q317-K320 VanDerWaalsContact OE1-CD 3.25Å; Q317-A321 WeakPolarHBondContact O-CB 3.38Å; Q317-A321 PolarHBondContact O-N 3.29Å; Q317-F338 HydrophobicContact CB-CB 4.44Å; Q317-F338 HydrophobicContact CB-CD2 4.04Å; Q317-F338 VanDerWaalsContact CD-CB 3.44Å; Q317-F338 HydrophobicContact CG-CB 4.04Å; Q317-W343 HydrophobicContact CB-CB 3.98Å
318V95.5Very high95Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-64.7-42.3171.7-179.60000110.1A90 L91 L94 M315 R316 A321 A322 V346 L347A90-V318 HydrophobicContact CB-CG1 4.48Å; L91-V318 HydrophobicContact CD2-CG1 3.76Å; L91-V318 HydrophobicContact CG-CG1 4.32Å; L94-V318 HydrophobicContact CD1-CG1 3.87Å; M315-V318 WeakPolarHBondContact O-CB 3.48Å; M315-V318 PolarHBondContact O-N 2.59Å; R316-V318 VanDerWaalsContact C-N 3.29Å; R316-V318 PolarHBondContact O-N 2.91Å; V318-A321 PolarHBondContact O-N 3.39Å; V318-A322 PolarHBondContact O-N 3.5Å; V318-V346 HydrophobicContact CG2-CB 4.15Å; V318-V346 HydrophobicContact CG2-CG1 3.73Å; V318-L347 HydrophobicContact CG1-CD2 4.4Å; V318-L347 HydrophobicContact CG2-CD2 4.41Å
319I96Very high94.2Very high35 Ų3546.6 Ų46.618%0.17925%0.248CC..Hα-helixtrans-61.4-49.8175.6-49.7-55.3000110.6T84 D85 I87 A90 R316 Q317 A321 A322 D323T84-I319 HydrophobicContact CG2-CG1 4.07Å; D85-I319 WeakPolarHBondContact O-CD1 3.37Å; I87-I319 HydrophobicContact CG1-CD1 4.04Å; A90-I319 HydrophobicContact CB-CD1 3.45Å; A90-I319 VanDerWaalsContact CB-CD1 3.45Å; R316-I319 WeakPolarHBondContact O-CB 3.46Å; R316-I319 PolarHBondContact O-N 2.72Å; Q317-I319 VanDerWaalsContact C-N 3.34Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.03Å; I319-A322 WeakPolarHBondContact O-CB 3.34Å; I319-A322 PolarHBondContact O-N 2.86Å; I319-A322 VanDerWaalsContact O-N 3.13Å; I319-D323 PolarHBondContact O-N 2.92Å
320K95.5Very high93.7Very high69 Ų6949.8 Ų49.830%0.327%0.265SS..Hα-helixtrans-59.1-44177.4-66.8-179.7-157.3156.70111.2E313 R316 Q317 A322 D323 Y324 F338E313-K320 IonicContact OE1-NZ 3.2Å; E313-K320 PolarHBondContact OE1-NZ 2.93Å; R316-K320 WeakPolarHBondContact O-CG 3.42Å; R316-K320 PolarHBondContact O-N 3.35Å; Q317-K320 PolarHBondContact O-N 2.88Å; Q317-K320 VanDerWaalsContact OE1-CD 3.25Å; K320-A322 VanDerWaalsContact C-N 3.3Å; K320-A322 PolarHBondContact O-N 3.41Å; K320-D323 PolarHBondContact O-N 3.35Å; K320-Y324 VanDerWaalsContact O-CD2 3.28Å; K320-Y324 WeakPolarHBondContact O-CD2 3.12Å; K320-Y324 PolarHBondContact O-N 2.74Å; K320-F338 HydrophobicContact CB-CD1 4.3Å; K320-F338 HydrophobicContact CB-CD2 4.01Å; K320-F338 HydrophobicContact CB-CE1 3.98Å; K320-F338 HydrophobicContact CB-CE2 3.65Å; K320-F338 HydrophobicContact CB-CG 4.31Å; K320-F338 HydrophobicContact CB-CZ 3.61Å; K320-F338 HydrophobicContact CD-CB 4.31Å; K320-F338 HydrophobicContact CD-CD1 3.97Å; K320-F338 HydrophobicContact CD-CD2 4.47Å; K320-F338 HydrophobicContact CD-CE1 4.35Å; K320-F338 HydrophobicContact CD-CG 4.02Å
321A95Very high93.1Very high0 Ų051.9 Ų51.90%028%0.275CS..Hα-helixtrans-58.8-42.6176.900000111.8L94 Q317 V318 I319 Y324 S325 F338 W343L94-A321 HydrophobicContact CD2-CB 4.26Å; Q317-A321 WeakPolarHBondContact O-CB 3.38Å; Q317-A321 PolarHBondContact O-N 3.29Å; V318-A321 PolarHBondContact O-N 3.39Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.03Å; A321-Y324 PolarHBondContact O-N 3.1Å; A321-S325 PolarHBondContact O-N 3.48Å; A321-F338 HydrophobicContact CB-CE2 4.24Å; A321-W343 HydrophobicContact CB-CB 4.18Å; A321-W343 HydrophobicContact CB-CD2 3.52Å; A321-W343 HydrophobicContact CB-CE3 3.78Å; A321-W343 HydrophobicContact CB-CG 3.65Å; A321-W343 HydrophobicContact CB-CZ3 4.4Å
322A95.1Very high92.7Very high0 Ų054.5 Ų54.50%029%0.287CS..Hα-helixtrans-62.1-44.5175.600000112.2A90 Q93 L94 V318 I319 K320 Y324 S325 I326A90-A322 HydrophobicContact CB-CB 3.63Å; Q93-A322 HydrophobicContact CB-CB 4.23Å; L94-A322 HydrophobicContact CD1-CB 4.36Å; L94-A322 HydrophobicContact CD2-CB 4.44Å; L94-A322 HydrophobicContact CG-CB 4.02Å; V318-A322 PolarHBondContact O-N 3.5Å; I319-A322 WeakPolarHBondContact O-CB 3.34Å; I319-A322 PolarHBondContact O-N 2.86Å; I319-A322 VanDerWaalsContact O-N 3.13Å; K320-A322 VanDerWaalsContact C-N 3.3Å; K320-A322 PolarHBondContact O-N 3.41Å; A322-Y324 VanDerWaalsContact C-N 3.33Å; A322-Y324 PolarHBondContact O-N 3.04Å; A322-S325 WeakPolarHBondContact O-CB 3.37Å; A322-S325 PolarHBondContact O-N 2.71Å; A322-S325 PolarHBondContact O-OG 3.48Å; A322-I326 PolarHBondContact O-N 3.03Å
323D95Very high92.4Very high88 Ų8854 Ų5447%0.47128%0.282SS..Hα-helixtrans-61.7-39.5176-69.2-26.4000112.4I319 K320 I326 S327I319-D323 PolarHBondContact O-N 2.92Å; K320-D323 PolarHBondContact O-N 3.35Å; D323-I326 PolarHBondContact O-N 3.33Å; D323-S327 PolarHBondContact O-N 3.44Å; D323-S327 PolarHBondContact O-OG 3.44Å
324Y93.7Very high91.9Very high100 Ų10051.1 Ų51.139%0.39227%0.272SS..Hα-helixtrans-68.5-36.1175.5-89.7-91000112.5K320 A321 A322 I326 S327 S328 L336 F338K320-Y324 VanDerWaalsContact O-CD2 3.28Å; K320-Y324 WeakPolarHBondContact O-CD2 3.12Å; K320-Y324 PolarHBondContact O-N 2.74Å; A321-Y324 PolarHBondContact O-N 3.1Å; A322-Y324 VanDerWaalsContact C-N 3.33Å; A322-Y324 PolarHBondContact O-N 3.04Å; Y324-I326 PolarHBondContact O-N 2.86Å; Y324-S327 WeakPolarHBondContact CA-OG 3.32Å; Y324-S327 PolarHBondContact O-N 3.28Å; Y324-S328 CarbonylContact O-C 3.51Å; Y324-S328 WeakPolarHBondContact O-CA 3.32Å; Y324-S328 PolarHBondContact O-N 2.68Å; Y324-L336 HydrophobicContact CG-CD2 4.44Å; Y324-F338 AromaticContact CD2-CE1 3.88Å; Y324-F338 HydrophobicContact CD2-CE1 3.88Å; Y324-F338 AromaticContact CD2-CZ 3.66Å; Y324-F338 HydrophobicContact CD2-CZ 3.66Å; Y324-F338 AromaticContact CE2-CE1 3.61Å; Y324-F338 HydrophobicContact CE2-CE1 3.61Å; Y324-F338 AromaticContact CE2-CZ 3.92Å; Y324-F338 HydrophobicContact CE2-CZ 3.92Å; Y324-F338 HydrophobicContact CG-CZ 4.38Å
325S93Very high91.3Very high5 Ų558.5 Ų58.54%0.03531%0.305CS..Hα-helixtrans-59-29.2176.779.80000112.7S97 A321 A322S97-S325 PolarHBondContact OG-OG 3.32Å; A321-S325 PolarHBondContact O-N 3.48Å; A322-S325 WeakPolarHBondContact O-CB 3.37Å; A322-S325 PolarHBondContact O-N 2.71Å; A322-S325 PolarHBondContact O-OG 3.48Å
326I90.6Very high90.9Very high101 Ų10160.2 Ų60.252%0.51831%0.314SS..Hα-helixtrans-88.4-48.3179.1-65.3168.7000111.3Q93 A322 D323 Y324Q93-I326 HydrophobicContact CG-CD1 4.31Å; A322-I326 PolarHBondContact O-N 3.03Å; D323-I326 PolarHBondContact O-N 3.33Å; Y324-I326 PolarHBondContact O-N 2.86Å
327S92.9Very high90.6Very high83 Ų8358.9 Ų58.958%0.5832%0.321SS*.Hα-helixtrans-74.4-26.4-17558.60000113.3D323 Y324D323-S327 PolarHBondContact O-N 3.44Å; D323-S327 PolarHBondContact O-OG 3.44Å; Y324-S327 WeakPolarHBondContact CA-OG 3.32Å; Y324-S327 PolarHBondContact O-N 3.28Å
328S89.8Confident90.2Very high48 Ų4860 Ų6034%0.33633%0.325SS..  trans-138.565.9-176-61.50000111.5Y324 N330 I331Y324-S328 CarbonylContact O-C 3.51Å; Y324-S328 WeakPolarHBondContact O-CA 3.32Å; Y324-S328 PolarHBondContact O-N 2.68Å; S328-N330 PolarHBondContact O-N 2.97Å; S328-I331 WeakPolarHBondContact O-CB 3.26Å; S328-I331 WeakPolarHBondContact O-CG2 3.45Å; S328-I331 PolarHBondContact O-N 3.46Å
329P81.8Confident89.8Confident86 Ų8663.6 Ų63.656%0.55836%0.363SS*.THydrogen-bonded Turntrans-62.8-17-169.424.2-35000115.4
330N84.9Confident89.5Confident164 Ų16467 Ų6788%0.87739%0.39SS*.THydrogen-bonded Turntrans-94.2-1.7177.9-62.4-31.5000113.5S328S328-N330 PolarHBondContact O-N 2.97Å
331I84.5Confident89.3Confident63 Ų6367.6 Ų67.632%0.32339%0.391SS..SBendtrans-76137.9178.5-159.3172.3000109.5W99 S328 L333W99-I331 WeakPolarHBondContact CH2-O 3.26Å; W99-I331 WeakPolarHBondContact CZ2-O 3.31Å; S328-I331 WeakPolarHBondContact O-CB 3.26Å; S328-I331 WeakPolarHBondContact O-CG2 3.45Å; S328-I331 PolarHBondContact O-N 3.46Å; I331-L333 HydrophobicContact CG2-CD2 3.5Å; I331-L333 VanDerWaalsContact CG2-CD2 3.5Å; I331-L333 HydrophobicContact CG2-CG 4.14Å; I331-L333 PolarHBondContact O-N 3.24Å
332D87.2Confident89.1Confident93 Ų9369.5 Ų69.550%0.49740%0.401SS..  trans-77.6108171.2-176.98.3000110.3S334D332-S334 VanDerWaalsContact C-N 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.31Å; D332-S334 PolarHBondContact OD1-N 3.05Å; D332-S334 PolarHBondContact OD1-OG 3.26Å; D332-S334 PolarHBondContact OD2-OG 2.92Å
333L88.7Confident89Confident0 Ų069.5 Ų69.50%040%0.401CS..  trans-77.7-11.9178.2-58.9-178.7000112.9L94 W99 I331 H335 L336 W343L94-L333 HydrophobicContact CD2-CD1 4.29Å; W99-L333 HydrophobicContact CB-CD1 4.45Å; W99-L333 HydrophobicContact CD2-CB 3.84Å; W99-L333 HydrophobicContact CD2-CD1 3.63Å; W99-L333 HydrophobicContact CD2-CG 3.85Å; W99-L333 HydrophobicContact CE3-CB 3.67Å; W99-L333 HydrophobicContact CE3-CD1 4.32Å; W99-L333 HydrophobicContact CE3-CG 4.2Å; W99-L333 HydrophobicContact CG-CD1 3.64Å; W99-L333 HydrophobicContact CG-CG 4.4Å; W99-L333 HydrophobicContact CH2-CB 4.12Å; W99-L333 HydrophobicContact CH2-CG 4.36Å; W99-L333 HydrophobicContact CZ2-CB 4.22Å; W99-L333 HydrophobicContact CZ2-CD1 4.46Å; W99-L333 HydrophobicContact CZ2-CG 3.96Å; W99-L333 HydrophobicContact CZ3-CB 3.8Å; W99-L333 HydrophobicContact CZ3-CG 4.43Å; I331-L333 HydrophobicContact CG2-CD2 3.5Å; I331-L333 VanDerWaalsContact CG2-CD2 3.5Å; I331-L333 HydrophobicContact CG2-CG 4.14Å; I331-L333 PolarHBondContact O-N 3.24Å; L333-H335 VanDerWaalsContact C-N 3.26Å; L333-H335 PolarHBondContact O-N 3.18Å; L333-L336 HydrophobicContact CD2-CD2 3.52Å; L333-L336 WeakPolarHBondContact O-CB 3.45Å; L333-L336 PolarHBondContact O-N 2.71Å; L333-W343 HydrophobicContact CB-CZ2 3.6Å; L333-W343 HydrophobicContact CD1-CZ2 4.46Å; L333-W343 PolarHBondContact O-NE1 3Å
334S85.7Confident88.9Confident31 Ų3168.6 Ų68.622%0.21740%0.395CS..THydrogen-bonded Turntrans-62.3-30.5-170.367.10000115D332 M344D332-S334 VanDerWaalsContact C-N 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.31Å; D332-S334 PolarHBondContact OD1-N 3.05Å; D332-S334 PolarHBondContact OD1-OG 3.26Å; D332-S334 PolarHBondContact OD2-OG 2.92Å; S334-M344 VanDerWaalsContact CA-CE 3.44Å; S334-M344 VanDerWaalsContact O-SD 3.4Å
335H84.4Confident88.9Confident159 Ų15969.4 Ų69.474%0.73641%0.406SS*.THydrogen-bonded Turntrans-108.710.2177.9-63.5-63.8000112.8L333 S337L333-H335 VanDerWaalsContact C-N 3.26Å; L333-H335 PolarHBondContact O-N 3.18Å; H335-S337 PolarHBondContact O-N 3.26Å
336L87.2Confident89Confident37 Ų3769.5 Ų69.519%0.19441%0.406CS..  trans-75.3116-176.8-170.162.1000110.4Y324 L333 F338Y324-L336 HydrophobicContact CG-CD2 4.44Å; L333-L336 HydrophobicContact CD2-CD2 3.52Å; L333-L336 WeakPolarHBondContact O-CB 3.45Å; L333-L336 PolarHBondContact O-N 2.71Å; L336-F338 HydrophobicContact CD2-CE1 3.94Å; L336-F338 HydrophobicContact CD2-CE2 3.76Å; L336-F338 HydrophobicContact CD2-CZ 3.28Å; L336-F338 HydrophobicContact CG-CE1 4.19Å; L336-F338 HydrophobicContact CG-CE2 4.02Å; L336-F338 HydrophobicContact CG-CZ 3.81Å
337S89.8Confident89.2Confident74 Ų7465.3 Ų65.352%0.51739%0.385SS..EExtended strand (participates in β ladder)trans-106.5140.2171.261.70000110.4H335 Y341H335-S337 PolarHBondContact O-N 3.26Å; S337-Y341 WeakPolarHBondContact CA-O 3.43Å
338F88.1Confident89.2Confident23 Ų2363.6 Ų63.610%0.10138%0.38CS..EExtended strand (participates in β ladder)trans-118.7110.8173.1-63.5-72.6000109.3Q317 K320 A321 Y324 L336 S340 Y341Q317-F338 HydrophobicContact CB-CB 4.44Å; Q317-F338 HydrophobicContact CB-CD2 4.04Å; Q317-F338 VanDerWaalsContact CD-CB 3.44Å; Q317-F338 HydrophobicContact CG-CB 4.04Å; K320-F338 HydrophobicContact CB-CD1 4.3Å; K320-F338 HydrophobicContact CB-CD2 4.01Å; K320-F338 HydrophobicContact CB-CE1 3.98Å; K320-F338 HydrophobicContact CB-CE2 3.65Å; K320-F338 HydrophobicContact CB-CG 4.31Å; K320-F338 HydrophobicContact CB-CZ 3.61Å; K320-F338 HydrophobicContact CD-CB 4.31Å; K320-F338 HydrophobicContact CD-CD1 3.97Å; K320-F338 HydrophobicContact CD-CD2 4.47Å; K320-F338 HydrophobicContact CD-CE1 4.35Å; K320-F338 HydrophobicContact CD-CG 4.02Å; A321-F338 HydrophobicContact CB-CE2 4.24Å; Y324-F338 AromaticContact CD2-CE1 3.88Å; Y324-F338 HydrophobicContact CD2-CE1 3.88Å; Y324-F338 AromaticContact CD2-CZ 3.66Å; Y324-F338 HydrophobicContact CD2-CZ 3.66Å; Y324-F338 AromaticContact CE2-CE1 3.61Å; Y324-F338 HydrophobicContact CE2-CE1 3.61Å; Y324-F338 AromaticContact CE2-CZ 3.92Å; Y324-F338 HydrophobicContact CE2-CZ 3.92Å; Y324-F338 HydrophobicContact CG-CZ 4.38Å; L336-F338 HydrophobicContact CD2-CE1 3.94Å; L336-F338 HydrophobicContact CD2-CE2 3.76Å; L336-F338 HydrophobicContact CD2-CZ 3.28Å; L336-F338 HydrophobicContact CG-CE1 4.19Å; L336-F338 HydrophobicContact CG-CE2 4.02Å; L336-F338 HydrophobicContact CG-CZ 3.81Å; F338-S340 PolarHBondContact O-N 3.2Å; F338-Y341 PolarHBondContact N-O 3.33Å; F338-Y341 PolarHBondContact O-N 3.32Å
339G86.9Confident89.4Confident77 Ų7763.7 Ų63.779%0.79438%0.381SS*.THydrogen-bonded Turntrans63.1-128.5-171.900000110.9Y341G339-Y341 VanDerWaalsContact C-N 3.35Å
340S89.5Confident90.1Very high106 Ų10659.7 Ų59.774%0.74136%0.355SS*.THydrogen-bonded Turntrans-86.3-0.2-179.355.60000114.6F338F338-S340 PolarHBondContact O-N 3.2Å
341Y91Very high90.7Very high81 Ų8155 Ų5532%0.31833%0.325SS..EExtended strand (participates in β ladder)trans-119.3139.2-170-61.3-75000111.8S311 E313 A314 S337 F338 G339S311-Y341 PolarHBondContact OG-OH 2.91Å; E313-Y341 HydrophobicContact CB-CE2 4.17Å; E313-Y341 HydrophobicContact CG-CD2 4.26Å; E313-Y341 HydrophobicContact CG-CE2 3.94Å; A314-Y341 HydrophobicContact CB-CD1 3.8Å; A314-Y341 HydrophobicContact CB-CD2 4.27Å; A314-Y341 HydrophobicContact CB-CE1 3.75Å; A314-Y341 HydrophobicContact CB-CE2 4.22Å; A314-Y341 HydrophobicContact CB-CG 4.06Å; S337-Y341 WeakPolarHBondContact CA-O 3.43Å; F338-Y341 PolarHBondContact N-O 3.33Å; F338-Y341 PolarHBondContact O-N 3.32Å; G339-Y341 VanDerWaalsContact C-N 3.35Å
342N92.2Very high91.3Very high41 Ų4152.2 Ų52.222%0.21931%0.311CS..EExtended strand (participates in β ladder)trans-93.4126.9162.3-175.7-26.4000108.3M344 D345 V346N342-M344 PolarHBondContact O-N 3.3Å; N342-M344 WeakPolarHBondContact OD1-CB 3.46Å; N342-M344 PolarHBondContact OD1-N 3.03Å; N342-D345 HydrophobicContact CB-CB 4.43Å; N342-D345 WeakPolarHBondContact CB-OD2 3.35Å; N342-D345 WeakPolarHBondContact O-CB 3.27Å; N342-D345 PolarHBondContact O-N 3.34Å; N342-D345 VanDerWaalsContact O-N 3.15Å; N342-V346 PolarHBondContact O-N 3.45Å
343W92.9Very high91.7Very high0 Ų049.5 Ų49.50%030%0.296CS..Hα-helixtrans-65.4-25.5-178.471.1-82.3000112.6L94 W99 Q317 A321 L333 V346 L347L94-W343 HydrophobicContact CD1-CE3 4.23Å; L94-W343 HydrophobicContact CD1-CZ3 3.87Å; L94-W343 HydrophobicContact CD2-CH2 4.29Å; L94-W343 HydrophobicContact CD2-CZ3 4.07Å; W99-W343 HydrophobicContact CB-CH2 4.24Å; Q317-W343 HydrophobicContact CB-CB 3.98Å; A321-W343 HydrophobicContact CB-CB 4.18Å; A321-W343 HydrophobicContact CB-CD2 3.52Å; A321-W343 HydrophobicContact CB-CE3 3.78Å; A321-W343 HydrophobicContact CB-CG 3.65Å; A321-W343 HydrophobicContact CB-CZ3 4.4Å; L333-W343 HydrophobicContact CB-CZ2 3.6Å; L333-W343 HydrophobicContact CD1-CZ2 4.46Å; L333-W343 PolarHBondContact O-NE1 3Å; W343-V346 WeakPolarHBondContact O-CB 3.48Å; W343-V346 PolarHBondContact O-N 2.99Å; W343-L347 HydrophobicContact CE3-CD1 3.56Å; W343-L347 HydrophobicContact CE3-CG 3.99Å; W343-L347 HydrophobicContact CH2-CD1 4.12Å; W343-L347 HydrophobicContact CZ3-CD1 3.22Å; W343-L347 HydrophobicContact CZ3-CG 4.12Å; W343-L347 PolarHBondContact O-N 3.27Å
344M92Very high91.9Very high68 Ų6851.7 Ų51.734%0.33531%0.307SS..Hα-helixtrans-68.3-36173.4-69.9-168.4159.600112.5S334 N342 V346 L347 G348S334-M344 VanDerWaalsContact CA-CE 3.44Å; S334-M344 VanDerWaalsContact O-SD 3.4Å; N342-M344 PolarHBondContact O-N 3.3Å; N342-M344 WeakPolarHBondContact OD1-CB 3.46Å; N342-M344 PolarHBondContact OD1-N 3.03Å; M344-V346 VanDerWaalsContact C-N 3.25Å; M344-V346 PolarHBondContact O-N 3.18Å; M344-L347 WeakPolarHBondContact O-CB 3.46Å; M344-L347 PolarHBondContact O-N 3.4Å; M344-G348 PolarHBondContact O-N 3.34Å
345D93.6Very high92.3Very high117 Ų11753.9 Ų53.963%0.62633%0.327SS*.Hα-helixtrans-65.3-36.1173.4-64.7-27.9000110.3N342 G348 S349N342-D345 HydrophobicContact CB-CB 4.43Å; N342-D345 WeakPolarHBondContact CB-OD2 3.35Å; N342-D345 WeakPolarHBondContact O-CB 3.27Å; N342-D345 PolarHBondContact O-N 3.34Å; N342-D345 VanDerWaalsContact O-N 3.15Å; D345-G348 PolarHBondContact O-N 3.1Å; D345-S349 PolarHBondContact O-N 3.07Å
346V94.9Very high92.8Very high7 Ų751 Ų514%0.04231%0.314CS..Hα-helixtrans-64.2-45.4173.9-176.10000110.5V310 A314 M315 V318 N342 W343 M344 G348 S349 M350V310-V346 HydrophobicContact CG1-CG1 4.24Å; A314-V346 HydrophobicContact CB-CG2 4.03Å; M315-V346 HydrophobicContact SD-CG1 4.42Å; V318-V346 HydrophobicContact CG2-CB 4.15Å; V318-V346 HydrophobicContact CG2-CG1 3.73Å; N342-V346 PolarHBondContact O-N 3.45Å; W343-V346 WeakPolarHBondContact O-CB 3.48Å; W343-V346 PolarHBondContact O-N 2.99Å; M344-V346 VanDerWaalsContact C-N 3.25Å; M344-V346 PolarHBondContact O-N 3.18Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 3.21Å; V346-S349 WeakPolarHBondContact O-CB 3.48Å; V346-S349 PolarHBondContact O-N 3.05Å; V346-S349 PolarHBondContact O-OG 2.93Å; V346-M350 WeakPolarHBondContact O-CG 3.46Å; V346-M350 PolarHBondContact O-N 3.26Å
347L94.2Very high93.2Very high14 Ų1449.3 Ų49.37%0.07331%0.305CS..Hα-helixtrans-58.7-39.5173-70179.3000112.7L91 L100 W104 V318 W343 M344 S349 M350 R351L91-L347 HydrophobicContact CD2-CD2 3.48Å; L91-L347 VanDerWaalsContact CD2-CD2 3.48Å; L100-L347 HydrophobicContact CD1-CD1 3.71Å; L100-L347 HydrophobicContact CD1-CD2 4.39Å; L100-L347 HydrophobicContact CD2-CD2 4.3Å; W104-L347 HydrophobicContact CH2-CD2 4.27Å; W104-L347 HydrophobicContact CZ3-CD2 4.36Å; V318-L347 HydrophobicContact CG1-CD2 4.4Å; V318-L347 HydrophobicContact CG2-CD2 4.41Å; W343-L347 HydrophobicContact CE3-CD1 3.56Å; W343-L347 HydrophobicContact CE3-CG 3.99Å; W343-L347 HydrophobicContact CH2-CD1 4.12Å; W343-L347 HydrophobicContact CZ3-CD1 3.22Å; W343-L347 HydrophobicContact CZ3-CG 4.12Å; W343-L347 PolarHBondContact O-N 3.27Å; M344-L347 WeakPolarHBondContact O-CB 3.46Å; M344-L347 PolarHBondContact O-N 3.4Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-S349 PolarHBondContact O-N 3.36Å; L347-M350 HydrophobicContact CD2-SD 4.38Å; L347-M350 WeakPolarHBondContact O-CB 3.5Å; L347-M350 PolarHBondContact O-N 2.95Å; L347-M350 VanDerWaalsContact O-N 3.1Å; L347-R351 PolarHBondContact O-N 3.49Å
348G94.2Very high93.5Very high47 Ų4749 Ų4949%0.48530%0.3SS..Hα-helixtrans-57.9-41.3173.800000112.1M344 D345 V346 M350 R351M344-G348 PolarHBondContact O-N 3.34Å; D345-G348 PolarHBondContact O-N 3.1Å; V346-G348 VanDerWaalsContact C-N 3.28Å; V346-G348 PolarHBondContact O-N 3.21Å; G348-M350 PolarHBondContact O-N 3.41Å; G348-R351 PolarHBondContact O-N 2.82Å
349S94.6Very high93.8Very high49 Ų4951 Ų5134%0.34331%0.309SS..Hα-helixtrans-67.7-22.1176.576.80000114.2V310 D345 V346 L347 R351V310-S349 WeakPolarHBondContact CG2-OG 3.47Å; D345-S349 PolarHBondContact O-N 3.07Å; V346-S349 WeakPolarHBondContact O-CB 3.48Å; V346-S349 PolarHBondContact O-N 3.05Å; V346-S349 PolarHBondContact O-OG 2.93Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-S349 PolarHBondContact O-N 3.36Å; S349-R351 VanDerWaalsContact C-N 3.33Å
350M96.7Very high94.2Very high2 Ų251.3 Ų51.31%0.0130%0.298CS..THydrogen-bonded Turntrans-82.8-11.1176.2-61.7-18067.800112.8I87 L91 W104 I290 I304 V305 L306 M315 V346 L347 G348I87-M350 HydrophobicContact CG2-CE 4.14Å; L91-M350 HydrophobicContact CD1-CE 3.59Å; L91-M350 HydrophobicContact CD2-CE 4.32Å; L91-M350 HydrophobicContact CD2-SD 4.32Å; L91-M350 HydrophobicContact CG-CE 4.46Å; W104-M350 HydrophobicContact CH2-CB 4.37Å; I290-M350 HydrophobicContact CD1-CE 4.09Å; I304-M350 CarbonylContact C-O 3.5Å; I304-M350 WeakPolarHBondContact CA-O 3.4Å; V305-M350 PolarHBondContact N-O 2.62Å; V305-M350 WeakPolarHBondContact O-CA 3.48Å; V305-M350 WeakPolarHBondContact O-CB 3Å; L306-M350 HydrophobicContact CD2-CE 3.6Å; M315-M350 HydrophobicContact SD-SD 4.13Å; V346-M350 WeakPolarHBondContact O-CG 3.46Å; V346-M350 PolarHBondContact O-N 3.26Å; L347-M350 HydrophobicContact CD2-SD 4.38Å; L347-M350 WeakPolarHBondContact O-CB 3.5Å; L347-M350 PolarHBondContact O-N 2.95Å; L347-M350 VanDerWaalsContact O-N 3.1Å; G348-M350 PolarHBondContact O-N 3.41Å
351R96.6Very high94.5Very high66 Ų6651.2 Ų51.225%0.24929%0.285CS..EExtended strand (participates in β ladder)trans-105.5112.5-174.9-175.1-176.6176-77.8-10.2110.8W104 E293 A302 L347 G348 S349 D353W104-R351 HydrophobicContact CZ2-CB 4.21Å; E293-R351 IonicContact OE1-NE 2.76Å; E293-R351 IonicContact OE2-CZ 3.77Å; E293-R351 IonicContact OE2-NE 2.59Å; E293-R351 PolarHBondContact OE2-NE 2.86Å; E293-R351 IonicContact OE2-NH2 3.32Å; E293-R351 PolarHBondContact OE2-NH2 2.87Å; A302-R351 HydrophobicContact CB-CG 3.98Å; L347-R351 PolarHBondContact O-N 3.49Å; G348-R351 PolarHBondContact O-N 2.82Å; S349-R351 VanDerWaalsContact C-N 3.33Å; R351-D353 IonicContact NH1-OD2 3.11Å; R351-D353 PolarHBondContact NH1-OD2 2.89Å
352V96.8Very high94.8Very high5 Ų547.7 Ų47.73%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-109.1100.4176.2-178.30000109.1A302 L303 V305 Q356 L357A302-V352 CarbonylContact C-O 3.47Å; A302-V352 WeakPolarHBondContact CA-O 3.35Å; A302-V352 WeakPolarHBondContact CB-O 3.3Å; L303-V352 HydrophobicContact CB-CB 4.37Å; L303-V352 PolarHBondContact N-O 3.27Å; L303-V352 PolarHBondContact O-N 3.3Å; V305-V352 HydrophobicContact CG1-CG2 4.19Å; V305-V352 HydrophobicContact CG2-CG2 3.62Å; V352-Q356 HydrophobicContact CG1-CB 3.97Å; V352-L357 HydrophobicContact CG1-CD2 3.68Å; V352-L357 HydrophobicContact CG1-CG 4.06Å
353D94.9Very high95Very high36 Ų3648.3 Ų48.319%0.19327%0.273CS..EExtended strand (participates in β ladder)trans-79.1170177.364.252.3000113.5A302 R351 A355 Q356 L357A302-D353 HydrophobicContact CB-CB 4.09Å; R351-D353 IonicContact NH1-OD2 3.11Å; R351-D353 PolarHBondContact NH1-OD2 2.89Å; D353-A355 PolarHBondContact O-N 2.87Å; D353-A355 WeakPolarHBondContact OD1-CA 3.48Å; D353-A355 WeakPolarHBondContact OD1-CB 3.39Å; D353-A355 PolarHBondContact OD1-N 3.06Å; D353-Q356 WeakPolarHBondContact O-CB 3.1Å; D353-Q356 PolarHBondContact O-N 3.3Å; D353-Q356 WeakPolarHBondContact OD1-CG 3.39Å; D353-Q356 PolarHBondContact OD1-N 3.43Å; D353-Q356 PolarHBondContact OD2-NE2 2.98Å; D353-L357 PolarHBondContact O-N 2.91Å
354M93.4Very high95.1Very high46 Ų4648.3 Ų48.323%0.22727%0.273CS..THydrogen-bonded Turntrans-53.9-35.4179.6-167.464.373.700113.9T249 P251 L254 Q356 L357T249-M354 HydrophobicContact CG2-CG 4.33Å; T249-M354 VanDerWaalsContact CG2-O 3.26Å; T249-M354 WeakPolarHBondContact CG2-O 3.5Å; P251-M354 VanDerWaalsContact CA-CE 3.49Å; P251-M354 VanDerWaalsContact CA-SD 3.58Å; P251-M354 HydrophobicContact CB-CE 3.83Å; P251-M354 HydrophobicContact CB-SD 4.1Å; L254-M354 HydrophobicContact CB-CE 3.83Å; L254-M354 HydrophobicContact CD2-CE 3.23Å; L254-M354 HydrophobicContact CD2-SD 4.48Å; L254-M354 HydrophobicContact CG-CE 4.11Å; M354-Q356 PolarHBondContact O-N 3.06Å; M354-L357 PolarHBondContact O-N 3.27Å
355A93.4Very high95.3Very high77 Ų7745.1 Ų45.164%0.63626%0.257SS*.THydrogen-bonded Turntrans-73.1-15.4-178.400000112.4D353 V358D353-A355 PolarHBondContact O-N 2.87Å; D353-A355 WeakPolarHBondContact OD1-CA 3.48Å; D353-A355 WeakPolarHBondContact OD1-CB 3.39Å; D353-A355 PolarHBondContact OD1-N 3.06Å; A355-V358 VanDerWaalsContact O-CG1 3.27Å; A355-V358 WeakPolarHBondContact O-CG1 3.31Å
356Q95.7Very high95.4Very high98 Ų9839.9 Ų39.946%0.45823%0.229SC..THydrogen-bonded Turntrans-93.8-17.3174.4-60.6174.140.200112.9V352 D353 M354 V358V352-Q356 HydrophobicContact CG1-CB 3.97Å; D353-Q356 WeakPolarHBondContact O-CB 3.1Å; D353-Q356 PolarHBondContact O-N 3.3Å; D353-Q356 WeakPolarHBondContact OD1-CG 3.39Å; D353-Q356 PolarHBondContact OD1-N 3.43Å; D353-Q356 PolarHBondContact OD2-NE2 2.98Å; M354-Q356 PolarHBondContact O-N 3.06Å; Q356-V358 PolarHBondContact O-N 3.28Å
357L95.3Very high95.3Very high2 Ų239.6 Ų39.61%0.0123%0.227CC..  trans-81.167.1175.8-66.2177.7000111T249 H250 L254 L280 L303 V352 D353 M354 Y362T249-L357 VanDerWaalsContact CA-O 3.31Å; T249-L357 WeakPolarHBondContact CA-O 3.31Å; H250-L357 PolarHBondContact CD2-O 3.32Å; H250-L357 VanDerWaalsContact CD2-O 3.3Å; H250-L357 PolarHBondContact N-O 3.07Å; L254-L357 HydrophobicContact CB-CD1 4.48Å; L280-L357 HydrophobicContact CD2-CD2 4.26Å; L303-L357 HydrophobicContact CD1-CD1 4.14Å; L303-L357 HydrophobicContact CD1-CD2 4.09Å; L303-L357 HydrophobicContact CG-CD1 4.39Å; V352-L357 HydrophobicContact CG1-CD2 3.68Å; V352-L357 HydrophobicContact CG1-CG 4.06Å; D353-L357 PolarHBondContact O-N 2.91Å; M354-L357 PolarHBondContact O-N 3.27Å; L357-Y362 VanDerWaalsContact CA-OH 3.29Å; L357-Y362 WeakPolarHBondContact CA-OH 3.38Å; L357-Y362 HydrophobicContact CD2-CE1 4.31Å
358V95.7Very high95.2Very high67 Ų6740.7 Ų40.741%0.40623%0.233SC..  trans-122.69.2-170.2-64.50000114.7G248 T249 A355 Q356 Y362G248-V358 WeakPolarHBondContact O-CA 3.23Å; T249-V358 HydrophobicContact CG2-CG1 3.97Å; A355-V358 VanDerWaalsContact O-CG1 3.27Å; A355-V358 WeakPolarHBondContact O-CG1 3.31Å; Q356-V358 PolarHBondContact O-N 3.28Å; V358-Y362 PolarHBondContact N-OH 2.83Å; V358-Y362 VanDerWaalsContact N-OH 3.17Å
359Q95.9Very high95.2Very high65 Ų6538.7 Ų38.730%0.30421%0.213SC..  trans-65.5151.3176.6-60.7-66.4-24.600110.5H250 H282 Q361 Y362H250-Q359 PolarHBondContact NE2-O 3.08Å; H282-Q359 HydrophobicContact CB-CB 3.91Å; H282-Q359 HydrophobicContact CB-CG 3.88Å; Q359-Q361 PolarHBondContact O-N 2.96Å; Q359-Q361 VanDerWaalsContact O-N 3.16Å; Q359-Y362 HydrophobicContact CB-CD2 4.39Å; Q359-Y362 HydrophobicContact CB-CE1 4.09Å; Q359-Y362 HydrophobicContact CB-CE2 3.67Å; Q359-Y362 VanDerWaalsContact CB-CZ 3.5Å; Q359-Y362 WeakPolarHBondContact CB-OH 3.45Å; Q359-Y362 HydrophobicContact CG-CE1 4.09Å; Q359-Y362 HydrophobicContact CG-CE2 4.35Å; Q359-Y362 VanDerWaalsContact CG-OH 3.24Å; Q359-Y362 WeakPolarHBondContact CG-OH 3.32Å; Q359-Y362 PolarHBondContact N-OH 2.71Å; Q359-Y362 VanDerWaalsContact N-OH 3.16Å
360P94.9Very high95.1Very high84 Ų8437.8 Ų37.855%0.54520%0.204SC..SBendtrans-56-36.5-178.3-26.534.9000113
361Q95Very high95Very high104 Ų10438 Ų3849%0.48621%0.205SC..  trans-144.5151.2-178.5-59.8-172.5-22.100110.6C240 R241 Q359C240-Q361 VanDerWaalsContact O-CA 3.29Å; C240-Q361 WeakPolarHBondContact O-CA 3.27Å; R241-Q361 WeakPolarHBondContact O-CG 3.5Å; R241-Q361 PolarHBondContact O-NE2 2.71Å; Q359-Q361 PolarHBondContact O-N 2.96Å; Q359-Q361 VanDerWaalsContact O-N 3.16Å
362Y97Very high94.8Very high7 Ų741 Ų413%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-130.9148.2170.8-71.2-87.6000110.5C240 H250 L253 L280 Q281 H282 L357 V358 Q359C240-Y362 PolarHBondContact N-O 3.33Å; C240-Y362 PolarHBondContact O-N 2.84Å; C240-Y362 VanDerWaalsContact O-N 3.07Å; H250-Y362 AromaticContact CD2-CD2 3.71Å; H250-Y362 AromaticContact CD2-CE2 3.48Å; H250-Y362 VanDerWaalsContact CD2-CE2 3.48Å; H250-Y362 WeakPolarHBondContact CD2-CE2 3.49Å; H250-Y362 AromaticContact CE1-CD2 3.84Å; H250-Y362 AromaticContact CG-CD2 3.85Å; H250-Y362 AromaticContact CG-CE2 3.99Å; H250-Y362 AromaticContact ND1-CD2 3.96Å; H250-Y362 AromaticContact NE2-CD2 3.69Å; H250-Y362 AromaticContact NE2-CE2 3.69Å; L253-Y362 HydrophobicContact CD2-CD1 4.26Å; L253-Y362 HydrophobicContact CD2-CD2 3.96Å; L253-Y362 HydrophobicContact CD2-CG 3.77Å; L280-Y362 HydrophobicContact CD1-CD1 3.72Å; L280-Y362 HydrophobicContact CD1-CG 4.28Å; L280-Y362 HydrophobicContact CD2-CD1 4.44Å; L280-Y362 HydrophobicContact CD2-CE1 4.48Å; L280-Y362 HydrophobicContact CG-CD1 4.11Å; Q281-Y362 CarbonylContact O-C 3.59Å; Q281-Y362 WeakPolarHBondContact O-CA 3.47Å; H282-Y362 HydrophobicContact CB-CD1 3.82Å; H282-Y362 HydrophobicContact CB-CE1 3.88Å; H282-Y362 AromaticContact CD2-CE1 3.7Å; L357-Y362 VanDerWaalsContact CA-OH 3.29Å; L357-Y362 WeakPolarHBondContact CA-OH 3.38Å; L357-Y362 HydrophobicContact CD2-CE1 4.31Å; V358-Y362 PolarHBondContact N-OH 2.83Å; V358-Y362 VanDerWaalsContact N-OH 3.17Å; Q359-Y362 HydrophobicContact CB-CD2 4.39Å; Q359-Y362 HydrophobicContact CB-CE1 4.09Å; Q359-Y362 HydrophobicContact CB-CE2 3.67Å; Q359-Y362 VanDerWaalsContact CB-CZ 3.5Å; Q359-Y362 WeakPolarHBondContact CB-OH 3.45Å; Q359-Y362 HydrophobicContact CG-CE1 4.09Å; Q359-Y362 HydrophobicContact CG-CE2 4.35Å; Q359-Y362 VanDerWaalsContact CG-OH 3.24Å; Q359-Y362 WeakPolarHBondContact CG-OH 3.32Å; Q359-Y362 PolarHBondContact N-OH 2.71Å; Q359-Y362 VanDerWaalsContact N-OH 3.16Å
363Q96.7Very high94.7Very high54 Ų5443.7 Ų43.725%0.25224%0.238SC..EExtended strand (participates in β ladder)trans-121.1132.5167.5-71177.2-33.400108.3A221 I237 I238 E239 Q281A221-Q363 HydrophobicContact CB-CB 4.16Å; A221-Q363 VanDerWaalsContact CB-OE1 3.23Å; I237-Q363 HydrophobicContact CG2-CB 4.19Å; I237-Q363 HydrophobicContact CG2-CG 4.27Å; I238-Q363 CarbonylContact O-C 3.59Å; I238-Q363 WeakPolarHBondContact O-CA 3.48Å; E239-Q363 HydrophobicContact CG-CG 4.28Å; Q281-Q363 HydrophobicContact CB-CB 4.48Å; Q281-Q363 PolarHBondContact N-O 3.05Å; Q281-Q363 PolarHBondContact O-N 3.01Å
364L96.3Very high94.6Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-114113.8175.5-179.577.3000108.4I237 I238 L253 I257 M278 L279 L280 Q366I237-L364 CarbonylContact C-O 3.48Å; I237-L364 WeakPolarHBondContact CA-O 3.43Å; I238-L364 HydrophobicContact CB-CB 4.2Å; I238-L364 PolarHBondContact N-O 2.95Å; I238-L364 PolarHBondContact O-N 3.15Å; L253-L364 HydrophobicContact CD1-CB 4.44Å; I257-L364 HydrophobicContact CD1-CD1 4Å; I257-L364 HydrophobicContact CD1-CD2 4.22Å; I257-L364 HydrophobicContact CG1-CD1 4.17Å; I257-L364 HydrophobicContact CG1-CD2 3.59Å; M278-L364 HydrophobicContact CB-CD1 3.7Å; M278-L364 HydrophobicContact CB-CG 4.32Å; M278-L364 HydrophobicContact SD-CD1 4.28Å; M278-L364 HydrophobicContact SD-CD2 3.91Å; M278-L364 HydrophobicContact SD-CG 4.33Å; L279-L364 CarbonylContact O-C 3.4Å; L279-L364 WeakPolarHBondContact O-CA 3.5Å; L280-L364 HydrophobicContact CB-CD1 4.39Å; L280-L364 HydrophobicContact CD1-CD1 4.43Å; L364-Q366 HydrophobicContact CD2-CG 4.05Å; L364-Q366 HydrophobicContact CG-CG 4.12Å
365L96.5Very high94.7Very high0 Ų049.4 Ų49.40%027%0.269CS..EExtended strand (participates in β ladder)trans-90.8123.6173.3-177.6160.4000109.4I133 M224 V225 F228 S236 M278 L279 I367I133-L365 HydrophobicContact CD1-CD2 4.49Å; M224-L365 HydrophobicContact CB-CD1 3.47Å; M224-L365 VanDerWaalsContact CB-CD1 3.47Å; V225-L365 HydrophobicContact CG2-CD1 4.01Å; F228-L365 HydrophobicContact CD2-CD1 4.2Å; F228-L365 HydrophobicContact CD2-CD2 4.01Å; F228-L365 HydrophobicContact CE2-CD1 4.2Å; F228-L365 HydrophobicContact CE2-CD2 3.77Å; S236-L365 WeakPolarHBondContact O-CA 3.46Å; M278-L365 WeakPolarHBondContact CA-O 3.32Å; L279-L365 HydrophobicContact CB-CB 4.2Å; L279-L365 HydrophobicContact CD2-CB 4.43Å; L279-L365 PolarHBondContact N-O 3.44Å; L279-L365 PolarHBondContact O-N 3.35Å; L365-I367 HydrophobicContact CD2-CD1 3.66Å
366Q94.3Very high94.7Very high8 Ų847.1 Ų47.14%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-113.2137.4-178.4-62.1175.5-52.300110.1S235 S236 H256 M278 L364S235-Q366 CarbonylContact C-O 3.6Å; S235-Q366 WeakPolarHBondContact CA-O 3.46Å; S235-Q366 WeakPolarHBondContact CB-O 3.46Å; S236-Q366 PolarHBondContact N-O 3.36Å; S236-Q366 PolarHBondContact O-N 3.06Å; H256-Q366 PolarHBondContact NE2-NE2 2.9Å; M278-Q366 HydrophobicContact CG-CG 4.09Å; M278-Q366 HydrophobicContact SD-CG 3.85Å; L364-Q366 HydrophobicContact CD2-CG 4.05Å; L364-Q366 HydrophobicContact CG-CG 4.12Å
367I93.9Very high94.7Very high1 Ų144.1 Ų44.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-91121.7172.7-52.3-55.8000108.9I133 L137 F228 I233 Y260 L276 L365I133-I367 HydrophobicContact CG2-CD1 3.98Å; I133-I367 HydrophobicContact CG2-CG1 3.76Å; L137-I367 HydrophobicContact CD2-CG2 4.31Å; F228-I367 HydrophobicContact CD2-CD1 4Å; F228-I367 HydrophobicContact CE2-CD1 4.03Å; I233-I367 HydrophobicContact CG2-CD1 4.02Å; I233-I367 HydrophobicContact CG2-CG2 3.66Å; Y260-I367 PolarHBondContact OH-O 3.2Å; L276-I367 HydrophobicContact CB-CB 4.28Å; L276-I367 HydrophobicContact CD1-CB 3.72Å; L276-I367 HydrophobicContact CD1-CG2 3.51Å; L365-I367 HydrophobicContact CD2-CD1 3.66Å
368N92Very high94.7Very high37 Ų3749.7 Ų49.720%0.19826%0.259CS..EExtended strand (participates in β ladder)trans-105.9-10.7-170.8-62.5-27.6000113.3R234 S236 H267R234-N368 HydrophobicContact CG-CB 4.19Å; R234-N368 PolarHBondContact NH2-O 3.27Å; R234-N368 PolarHBondContact O-N 2.96Å; S236-N368 VanDerWaalsContact CB-ND2 3.29Å; S236-N368 WeakPolarHBondContact CB-ND2 3.28Å; S236-N368 PolarHBondContact N-ND2 3.23Å; S236-N368 PolarHBondContact OG-ND2 2.98Å; H267-N368 PolarHBondContact CE1-O 3.36Å
369G92.7Very high94.6Very high5 Ų548.4 Ų48.45%0.05225%0.25CS..EExtended strand (participates in β ladder)trans144.7-165.3-175.900000113.3R234R234-G369 PolarHBondContact N-O 3.48Å; R234-G369 PolarHBondContact O-N 2.86Å
370L94Very high94.6Very high30 Ų3045.5 Ų45.516%0.15724%0.237CC..EExtended strand (participates in β ladder)trans-84.2154.7165-67.5169.6000109.6F143 R146 L147 G232 R234 E372F143-L370 HydrophobicContact CD1-CD2 3.41Å; F143-L370 VanDerWaalsContact CD1-CD2 3.41Å; F143-L370 HydrophobicContact CD1-CG 3.77Å; F143-L370 HydrophobicContact CE1-CD2 3.74Å; F143-L370 HydrophobicContact CE1-CG 3.77Å; F143-L370 HydrophobicContact CG-CD2 4.34Å; R146-L370 HydrophobicContact CB-CD1 4.11Å; R146-L370 HydrophobicContact CB-CD2 4.16Å; R146-L370 HydrophobicContact CG-CD1 4.15Å; R146-L370 HydrophobicContact CG-CD2 4.02Å; L147-L370 HydrophobicContact CD2-CD2 4.13Å; L147-L370 HydrophobicContact CG-CD2 4.38Å; G232-L370 WeakPolarHBondContact O-CA 3.4Å; R234-L370 PolarHBondContact NH1-O 3.07Å; R234-L370 VanDerWaalsContact NH1-O 3.09Å; L370-E372 PolarHBondContact O-N 2.99Å
371I94.1Very high94.6Very high5 Ų543.7 Ų43.73%0.02622%0.222CC..  trans-71.9121.1166.8-66.5-178.2000107.9Y17 G229 G232 R234 D376 L377 A380Y17-I371 VanDerWaalsContact CB-CG2 3.44Å; Y17-I371 HydrophobicContact CD1-CG2 4.33Å; Y17-I371 HydrophobicContact CD2-CG2 4.45Å; Y17-I371 HydrophobicContact CG-CG2 3.84Å; G229-I371 WeakPolarHBondContact O-CD1 3.42Å; G232-I371 PolarHBondContact O-N 2.9Å; R234-I371 HydrophobicContact CB-CG1 4.09Å; I371-D376 HydrophobicContact CB-CB 4.26Å; I371-D376 HydrophobicContact CG1-CB 4.32Å; I371-D376 HydrophobicContact CG2-CB 3.71Å; I371-L377 HydrophobicContact CD1-CD1 4.35Å; I371-L377 HydrophobicContact CG2-CB 3.97Å; I371-A380 HydrophobicContact CD1-CB 3.94Å
372E92.6Very high94.7Very high130 Ų13041.4 Ų41.461%0.60722%0.215SC*.  trans-119.5-11.9-174.1-68.6178154.200112.8Y17 R234 L370 D376Y17-E372 WeakPolarHBondContact CE2-O 3.21Å; R234-E372 IonicContact NH1-OE2 3.56Å; L370-E372 PolarHBondContact O-N 2.99Å; E372-D376 PolarHBondContact N-OD2 3.19Å; E372-D376 VanDerWaalsContact N-OD2 3.1Å
373T94Very high94.5Very high61 Ų6141.1 Ų41.137%0.37421%0.214SC..SBendtrans-136.7160.5-176.566.30000112.1L375 D376 L377T373-L375 PolarHBondContact O-N 3.18Å; T373-D376 PolarHBondContact N-OD2 3.04Å; T373-D376 VanDerWaalsContact N-OD2 3.09Å; T373-D376 PolarHBondContact O-N 2.99Å; T373-D376 PolarHBondContact OG1-N 2.69Å; T373-D376 VanDerWaalsContact OG1-N 3.08Å; T373-D376 PolarHBondContact OG1-OD2 3.15Å; T373-L377 PolarHBondContact O-N 2.61Å
374D93.5Very high94.4Very high99 Ų9943.1 Ų43.153%0.52922%0.223SC..Hα-helixtrans-61.1-29.7171.5-66.4-54.4000111.9Y17 L377 Q378Y17-D374 WeakPolarHBondContact CE1-OD1 3.35Å; D374-L377 PolarHBondContact O-N 3.33Å; D374-Q378 WeakPolarHBondContact O-CB 3.49Å; D374-Q378 PolarHBondContact O-N 3.15Å
375L94.9Very high94.4Very high104 Ų10447.2 Ų47.255%0.54525%0.245SC..Hα-helixtrans-68.7-46.6176.7-179.462.6000111.2T373 L377 Q378 D379T373-L375 PolarHBondContact O-N 3.18Å; L375-L377 PolarHBondContact O-N 3.49Å; L375-Q378 PolarHBondContact O-N 3.29Å; L375-Q378 VanDerWaalsContact O-N 3.16Å; L375-D379 WeakPolarHBondContact O-CB 3.44Å; L375-D379 PolarHBondContact O-N 2.82Å
376D94.6Very high94.2Very high29 Ų2948.3 Ų48.316%0.15525%0.252CS..Hα-helixtrans-55.8-40.9174.5-66.3-45.2000111.2R234 I371 E372 T373 A380R234-D376 WeakPolarHBondContact CD-OD1 3.3Å; R234-D376 IonicContact NH1-OD1 2.92Å; R234-D376 IonicContact NH1-OD2 3.8Å; I371-D376 HydrophobicContact CB-CB 4.26Å; I371-D376 HydrophobicContact CG1-CB 4.32Å; I371-D376 HydrophobicContact CG2-CB 3.71Å; E372-D376 PolarHBondContact N-OD2 3.19Å; E372-D376 VanDerWaalsContact N-OD2 3.1Å; T373-D376 PolarHBondContact N-OD2 3.04Å; T373-D376 VanDerWaalsContact N-OD2 3.09Å; T373-D376 PolarHBondContact O-N 2.99Å; T373-D376 PolarHBondContact OG1-N 2.69Å; T373-D376 VanDerWaalsContact OG1-N 3.08Å; T373-D376 PolarHBondContact OG1-OD2 3.15Å; D376-A380 WeakPolarHBondContact O-CB 3.42Å; D376-A380 PolarHBondContact O-N 2.93Å
377L94.4Very high94.2Very high34 Ų3449.7 Ų49.718%0.17826%0.261CS..Hα-helixtrans-67-46.9177.4-179.462.1000111.4Y17 F172 I371 T373 D374 L375 D379 A380 M381Y17-L377 HydrophobicContact CD1-CB 4.48Å; Y17-L377 HydrophobicContact CD1-CD2 4.3Å; F172-L377 HydrophobicContact CE1-CD1 4.33Å; F172-L377 HydrophobicContact CZ-CD1 3.71Å; I371-L377 HydrophobicContact CD1-CD1 4.35Å; I371-L377 HydrophobicContact CG2-CB 3.97Å; T373-L377 PolarHBondContact O-N 2.61Å; D374-L377 PolarHBondContact O-N 3.33Å; L375-L377 PolarHBondContact O-N 3.49Å; L377-D379 VanDerWaalsContact C-N 3.28Å; L377-D379 PolarHBondContact O-N 2.94Å; L377-A380 PolarHBondContact O-N 2.93Å; L377-M381 VanDerWaalsContact O-CG 3.31Å; L377-M381 WeakPolarHBondContact O-CG 3.43Å; L377-M381 PolarHBondContact O-N 3.28Å
378Q94.8Very high94.2Very high119 Ų11953.6 Ų53.656%0.55628%0.284SS*.Hα-helixtrans-59.5-41.2177.6-176.51766.500111.7D374 L375 M381 V382D374-Q378 WeakPolarHBondContact O-CB 3.49Å; D374-Q378 PolarHBondContact O-N 3.15Å; L375-Q378 PolarHBondContact O-N 3.29Å; L375-Q378 VanDerWaalsContact O-N 3.16Å; Q378-M381 PolarHBondContact O-N 3.32Å; Q378-V382 PolarHBondContact O-N 3.38Å
379D95.3Very high94Very high41 Ų4154.1 Ų54.122%0.21929%0.294CS..Hα-helixtrans-68.3-37.5177.5-72.6-18.4000111.7L375 L377 M381 V382 N385 V386L375-D379 WeakPolarHBondContact O-CB 3.44Å; L375-D379 PolarHBondContact O-N 2.82Å; L377-D379 VanDerWaalsContact C-N 3.28Å; L377-D379 PolarHBondContact O-N 2.94Å; D379-M381 VanDerWaalsContact C-N 3.29Å; D379-M381 PolarHBondContact O-N 3.25Å; D379-V382 CarbonylContact O-C 3.54Å; D379-V382 PolarHBondContact O-N 3.37Å; D379-N385 HydrophobicContact CB-CB 4.09Å; D379-N385 WeakPolarHBondContact OD1-CB 3.44Å; D379-N385 PolarHBondContact OD1-ND2 3.38Å; D379-V386 HydrophobicContact CB-CG1 3.69Å
380A94.2Very high93.6Very high4 Ų455.7 Ų55.73%0.03330%0.301CS..Hα-helixtrans-68.3-26.517400000113.4F172 I371 D376 L377 V382F172-A380 HydrophobicContact CE1-CB 4.31Å; I371-A380 HydrophobicContact CD1-CB 3.94Å; D376-A380 WeakPolarHBondContact O-CB 3.42Å; D376-A380 PolarHBondContact O-N 2.93Å; L377-A380 PolarHBondContact O-N 2.93Å; A380-V382 VanDerWaalsContact C-N 3.33Å
381M96Very high92.3Very high46 Ų4660.3 Ų60.323%0.22734%0.336CS..Hα-helixtrans-74.7-21.8175.3-70.1-179.777.900113.3L170 F172 D173 L377 Q378 D379L170-M381 VanDerWaalsContact O-CE 3.3Å; L170-M381 WeakPolarHBondContact O-CE 3.36Å; F172-M381 HydrophobicContact CD1-CB 4.2Å; F172-M381 HydrophobicContact CD1-CG 3.71Å; F172-M381 HydrophobicContact CD2-CE 4.23Å; F172-M381 HydrophobicContact CD2-CG 3.88Å; F172-M381 HydrophobicContact CE1-CB 4.42Å; F172-M381 HydrophobicContact CE1-CG 3.57Å; F172-M381 HydrophobicContact CE2-CE 4.37Å; F172-M381 HydrophobicContact CE2-CG 3.77Å; F172-M381 HydrophobicContact CE2-SD 4.36Å; F172-M381 HydrophobicContact CG-CB 4.39Å; F172-M381 HydrophobicContact CG-CG 3.86Å; F172-M381 HydrophobicContact CZ-CG 3.61Å; D173-M381 PolarHBondContact N-O 3.01Å; L377-M381 VanDerWaalsContact O-CG 3.31Å; L377-M381 WeakPolarHBondContact O-CG 3.43Å; L377-M381 PolarHBondContact O-N 3.28Å; Q378-M381 PolarHBondContact O-N 3.32Å; D379-M381 VanDerWaalsContact C-N 3.29Å; D379-M381 PolarHBondContact O-N 3.25Å
382V96.2Very high92.2Very high56 Ų5663.1 Ų63.134%0.33935%0.351SS..SBendtrans-125.585.5-178.9-175.30000107.9Q378 D379 A380 E384 N385Q378-V382 PolarHBondContact O-N 3.38Å; D379-V382 CarbonylContact O-C 3.54Å; D379-V382 PolarHBondContact O-N 3.37Å; A380-V382 VanDerWaalsContact C-N 3.33Å; V382-E384 HydrophobicContact CG1-CB 4.41Å; V382-E384 VanDerWaalsContact CG1-OE2 3.25Å; V382-E384 WeakPolarHBondContact CG1-OE2 3.38Å; V382-E384 PolarHBondContact O-N 3.38Å; V382-N385 VanDerWaalsContact O-CB 3.3Å; V382-N385 WeakPolarHBondContact O-CB 3.32Å; V382-N385 PolarHBondContact O-N 2.98Å
383P94.3Very high92.2Very high0 Ų059.6 Ų59.60%034%0.338CS..G310 helixtrans-53.8-23.4-171.9-30.838.4000115.3D173 T222 V225 N385 V386 T387D173-P383 HydrophobicContact CB-CG 3.8Å; T222-P383 HydrophobicContact CG2-CB 3.77Å; T222-P383 HydrophobicContact CG2-CG 4.49Å; V225-P383 HydrophobicContact CB-CB 4.39Å; V225-P383 HydrophobicContact CB-CG 4.43Å; V225-P383 HydrophobicContact CG1-CB 4.22Å; V225-P383 HydrophobicContact CG1-CG 4.2Å; P383-N385 PolarHBondContact O-N 3.49Å; P383-V386 VanDerWaalsContact O-CG2 3.32Å; P383-V386 WeakPolarHBondContact O-CG2 3.48Å; P383-V386 PolarHBondContact O-N 3.27Å; P383-T387 PolarHBondContact O-N 2.92Å; P383-T387 PolarHBondContact O-OG1 2.95Å
384E94.7Very high92.1Very high96 Ų9659.5 Ų59.545%0.44934%0.336SS..G310 helixtrans-59-33.6171.6-62.580.9-17900113L175 V382 V386 T387L175-E384 WeakPolarHBondContact CD1-OE1 3.28Å; V382-E384 HydrophobicContact CG1-CB 4.41Å; V382-E384 VanDerWaalsContact CG1-OE2 3.25Å; V382-E384 WeakPolarHBondContact CG1-OE2 3.38Å; V382-E384 PolarHBondContact O-N 3.38Å; E384-V386 VanDerWaalsContact C-N 3.28Å; E384-V386 PolarHBondContact O-N 3.48Å; E384-T387 PolarHBondContact O-N 3.5Å
385N94.7Very high92Very high87 Ų8757.2 Ų57.247%0.46533%0.325SS..G310 helixtrans-66.8-29.8179-71.43.5000112.5D379 V382 P383D379-N385 HydrophobicContact CB-CB 4.09Å; D379-N385 WeakPolarHBondContact OD1-CB 3.44Å; D379-N385 PolarHBondContact OD1-ND2 3.38Å; V382-N385 VanDerWaalsContact O-CB 3.3Å; V382-N385 WeakPolarHBondContact O-CB 3.32Å; V382-N385 PolarHBondContact O-N 2.98Å; P383-N385 PolarHBondContact O-N 3.49Å
386V93.1Very high91.8Very high22 Ų2254.3 Ų54.313%0.13331%0.311CS..G310 helixtrans-1019.2179.3-57.30000112.8V225 S236 I237 D379 P383 E384V225-V386 HydrophobicContact CG1-CG2 3.8Å; V225-V386 HydrophobicContact CG2-CG2 4.3Å; S236-V386 WeakPolarHBondContact CA-O 3.29Å; S236-V386 WeakPolarHBondContact CB-O 3.42Å; I237-V386 PolarHBondContact N-O 2.9Å; D379-V386 HydrophobicContact CB-CG1 3.69Å; P383-V386 VanDerWaalsContact O-CG2 3.32Å; P383-V386 WeakPolarHBondContact O-CG2 3.48Å; P383-V386 PolarHBondContact O-N 3.27Å; E384-V386 VanDerWaalsContact C-N 3.28Å; E384-V386 PolarHBondContact O-N 3.48Å
387T95Very high91.6Very high38 Ų3855.9 Ų55.923%0.23332%0.321CS..EExtended strand (participates in β ladder)trans-97.8120.3179.4-61.50000110.7I237 E239 P383 E384I237-T387 HydrophobicContact CB-CG2 4.3Å; I237-T387 HydrophobicContact CG2-CG2 4.19Å; I237-T387 CarbonylContact O-C 3.56Å; I237-T387 WeakPolarHBondContact O-CA 3.49Å; E239-T387 HydrophobicContact CB-CG2 4.21Å; P383-T387 PolarHBondContact O-N 2.92Å; P383-T387 PolarHBondContact O-OG1 2.95Å; E384-T387 PolarHBondContact O-N 3.5Å
388V92.9Very high91.4Very high82 Ų8257.5 Ų57.550%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-115.4119176.2-177.60000108.9I237 I238 E239I237-V388 PolarHBondContact O-N 3.29Å; I238-V388 CarbonylContact C-O 3.54Å; I238-V388 WeakPolarHBondContact CA-O 3.45Å; I238-V388 HydrophobicContact CD1-CB 3.97Å; E239-V388 PolarHBondContact N-O 3.15Å
389A88.6Confident91.2Very high49 Ų4952.8 Ų52.841%0.40531%0.314SS..EExtended strand (participates in β ladder)trans-79.3133.217300000110.4E239E239-A389 WeakPolarHBondContact O-CA 3.41Å
390I83.8Confident90.8Very high38 Ų3853.8 Ų53.820%0.19532%0.322CS..EExtended strand (participates in β ladder)trans-111.5136.4167.862.3171.3000109.3I238 E239 C240 H256I238-I390 HydrophobicContact CG2-CB 4.38Å; I238-I390 HydrophobicContact CG2-CD1 3.56Å; I238-I390 HydrophobicContact CG2-CG1 3.68Å; I238-I390 HydrophobicContact CG2-CG2 3.84Å; E239-I390 PolarHBondContact O-N 3.37Å; C240-I390 VanDerWaalsContact SG-CD1 3.54Å; C240-I390 VanDerWaalsContact SG-CG1 3.57Å; H256-I390 HydrophobicContact CB-CD1 4.04Å
391S66.2Low90.5Very high127 Ų12758.3 Ų58.389%0.88835%0.348SS*.  trans-93.70176.461.30000110.9Y252Y252-S391 WeakPolarHBondContact CD2-O 3.39Å

Retrieved 391 of 391 residues in 87.9 ms (Link to these results)

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