A0A2K6PZA8_RHIRO Loading...

Acid sensing ion channel subunit 1

AlphaFold DB , UniProt , Accession A0A2K6PZA8, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene ASIC1, Length 574 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
1M37.5Very low30.7Very low247 Ų247168.5 Ų168.5100%1.21787%0.872SS**  079.50-153.4170.4-170.400105.3
2E27.5Very low31.6Very low191 Ų191159.7 Ų159.789%0.89385%0.853SS**  trans-84.4125.5-177.3-74.3174.6145.700108.2K4E2-K4 PolarHBondContact O-N 3.38Å
3L30.4Very low32.9Very low175 Ų175156.4 Ų156.492%0.91684%0.842SS**  trans-67111.9166.5-87.3104.5000108.1A5L3-A5 PolarHBondContact O-N 3.01Å
4K27.6Very low34.8Very low200 Ų200156.6 Ų156.687%0.8784%0.835SS**  trans-70.1113.3160.9-90.5179.8168.8177.30108E2 E6E2-K4 PolarHBondContact O-N 3.38Å; K4-E6 PolarHBondContact O-N 3.48Å
5A28.3Very low36.5Very low95 Ų95148.8 Ų148.879%0.78580%0.797SS**  trans-66.8119.4156.200000107.4L3 E7L3-A5 PolarHBondContact O-N 3.01Å; A5-E7 PolarHBondContact O-N 3.42Å
6E27.8Very low38.6Very low189 Ų189144.9 Ų144.988%0.88378%0.779SS**  trans-71.1117.7166.4-71.1-179.2155.300107.5K4 E8K4-E6 PolarHBondContact O-N 3.48Å; E6-E8 PolarHBondContact O-N 2.98Å
7E29.9Very low40.9Very low190 Ų190139.5 Ų139.589%0.88876%0.755SS**  trans-64.8110.5164.5-72.2178144.900107.4A5 E9A5-E7 PolarHBondContact O-N 3.42Å; E7-E9 PolarHBondContact O-N 3.2Å
8E29.3Very low43Very low187 Ų187135.1 Ų135.187%0.87473%0.731SS**  trans-59.7102.1160.5-90-172.7147.300107.6E6 V10E6-E8 PolarHBondContact O-N 2.98Å; E8-V10 PolarHBondContact O-N 2.84Å
9E30.1Very low44.9Very low186 Ų186131.6 Ų131.687%0.86971%0.709SS**  trans-53.5108.8157.4-86.3-163.314500107.3E7 G11E7-E9 PolarHBondContact O-N 3.2Å; E9-G11 PolarHBondContact O-N 3.36Å
10V37.3Very low46.6Very low140 Ų140126.5 Ų126.585%0.84869%0.685SS**  trans-64.983.2160.7178.70000106.1E8 G12E8-V10 PolarHBondContact O-N 2.84Å; V10-G12 PolarHBondContact O-N 3.33Å
11G32.3Very low48.2Very low53 Ų53121.6 Ų121.655%0.54666%0.658SS.*  trans-51.3111.5169.200000107E9 V13E9-G11 PolarHBondContact O-N 3.36Å; G11-V13 PolarHBondContact O-N 3.12Å
12G41.5Very low50.3Low63 Ų63109.9 Ų109.965%0.64960%0.6SS**  trans-62.894.7171.300000107.4V10 Q14V10-G12 PolarHBondContact O-N 3.33Å; G12-Q14 VanDerWaalsContact C-N 3.3Å; G12-Q14 PolarHBondContact O-N 2.95Å
13V48.6Very low52.7Low117 Ų117104.4 Ų104.471%0.70958%0.583SS**  trans-58.8100.3172.1-178.90000105.9G11G11-V13 PolarHBondContact O-N 3.12Å
14Q58.8Low55Low159 Ų159100.2 Ų100.274%0.74357%0.569SS**PPolyproline II helixtrans-64.3134168.3-72.1-169-1.200106.5G12 V16G12-Q14 VanDerWaalsContact C-N 3.3Å; G12-Q14 PolarHBondContact O-N 2.95Å; Q14-V16 PolarHBondContact O-N 2.97Å
15P61.1Low57.6Low40 Ų4091.5 Ų91.526%0.2653%0.533SS..PPolyproline II helixtrans-58.5136.3177.524.5-33000108.3S17 V506 H509P15-S17 PolarHBondContact O-N 2.99Å; P15-V506 HydrophobicContact CB-CG2 4.21Å; P15-H509 VanDerWaalsContact CD-CD2 3.43Å; P15-H509 WeakPolarHBondContact CD-CD2 3.4Å; P15-H509 VanDerWaalsContact CD-CG 3.41Å; P15-H509 HydrophobicContact CG-CB 4.08Å
16V69.5Low59.9Low86 Ų8690.1 Ų90.152%0.52151%0.514SS..PPolyproline II helixtrans-48.9135173.8-178.70000108.3Q14 A20 Y502Q14-V16 PolarHBondContact O-N 2.97Å; V16-A20 HydrophobicContact CG1-CB 3.4Å; V16-A20 VanDerWaalsContact CG1-CB 3.4Å; V16-Y502 WeakPolarHBondContact O-CE2 3.44Å
17S77.6Confident62.5Low53 Ų5381.7 Ų81.737%0.37148%0.475SS..PPolyproline II helixtrans-62.8149.8-17966.40000110.5P15 Q19 A20 F21P15-S17 PolarHBondContact O-N 2.99Å; S17-Q19 PolarHBondContact O-N 3.34Å; S17-Q19 VanDerWaalsContact O-N 3.07Å; S17-A20 PolarHBondContact O-N 3.12Å; S17-A20 WeakPolarHBondContact OG-CB 3.31Å; S17-A20 PolarHBondContact OG-N 3.33Å; S17-F21 PolarHBondContact O-N 3.31Å
18I78.5Confident65Low60 Ų6079 Ų7931%0.30846%0.462SS..Hα-helixtrans-56.4-30.3-179.2-171.863000112.2F21 A22 F34 Y502I18-F21 HydrophobicContact CD1-CD1 4.44Å; I18-A22 WeakPolarHBondContact O-CB 3.47Å; I18-A22 PolarHBondContact O-N 3.44Å; I18-F34 HydrophobicContact CG1-CD1 4.14Å; I18-F34 HydrophobicContact CG1-CE1 4.06Å; I18-F34 HydrophobicContact CG1-CE2 4.5Å; I18-F34 HydrophobicContact CG1-CG 4.4Å; I18-F34 HydrophobicContact CG1-CZ 4.24Å; I18-F34 HydrophobicContact CG2-CD1 4.26Å; I18-Y502 WeakPolarHBondContact CA-OH 3.34Å; I18-Y502 HydrophobicContact CD1-CE1 3.74Å; I18-Y502 PolarHBondContact N-OH 2.91Å
19Q79.1Confident67.4Low70 Ų7070.4 Ų70.433%0.32742%0.424SS..Hα-helixtrans-70.6-39175.5-59.687.6-10.500112.5S17 S23 F34 Y36S17-Q19 PolarHBondContact O-N 3.34Å; S17-Q19 VanDerWaalsContact O-N 3.07Å; Q19-S23 WeakPolarHBondContact O-CB 3.28Å; Q19-S23 PolarHBondContact O-N 3.24Å; Q19-S23 VanDerWaalsContact O-N 3.15Å; Q19-S23 PolarHBondContact O-OG 3.27Å; Q19-F34 WeakPolarHBondContact CG-O 3.38Å; Q19-Y36 HydrophobicContact CB-CE1 4.23Å; Q19-Y36 HydrophobicContact CB-CE2 4.34Å
20A78.6Confident69.9Low28 Ų2862.6 Ų62.623%0.23139%0.389CS..Hα-helixtrans-71.3-36.8176.500000111.4V16 S17 S23 S24V16-A20 HydrophobicContact CG1-CB 3.4Å; V16-A20 VanDerWaalsContact CG1-CB 3.4Å; S17-A20 PolarHBondContact O-N 3.12Å; S17-A20 WeakPolarHBondContact OG-CB 3.31Å; S17-A20 PolarHBondContact OG-N 3.33Å; A20-S23 WeakPolarHBondContact CA-OG 3.36Å; A20-S23 PolarHBondContact O-OG 2.88Å; A20-S24 PolarHBondContact O-N 2.7Å; A20-S24 PolarHBondContact O-OG 2.96Å
21F80.4Confident72Confident25 Ų2558 Ų5811%0.1137%0.365CS..Hα-helixtrans-68.9-45.2172.8176.5-100.3000112.6S17 I18 S23 S24 S25 L499 Y502S17-F21 PolarHBondContact O-N 3.31Å; I18-F21 HydrophobicContact CD1-CD1 4.44Å; F21-S23 PolarHBondContact O-N 3.09Å; F21-S24 PolarHBondContact O-N 2.89Å; F21-S24 VanDerWaalsContact O-N 3.13Å; F21-S24 PolarHBondContact O-OG 2.82Å; F21-S24 VanDerWaalsContact O-OG 3.07Å; F21-S25 WeakPolarHBondContact O-CB 3.41Å; F21-S25 PolarHBondContact O-N 3.22Å; F21-L499 HydrophobicContact CE1-CD2 3.88Å; F21-L499 HydrophobicContact CZ-CD2 4.08Å; F21-Y502 HydrophobicContact CB-CD2 3.93Å; F21-Y502 HydrophobicContact CB-CE2 3.7Å; F21-Y502 HydrophobicContact CD1-CD1 4.06Å; F21-Y502 HydrophobicContact CD1-CD2 4.21Å; F21-Y502 HydrophobicContact CD1-CE1 4.27Å; F21-Y502 HydrophobicContact CD1-CE2 4.42Å; F21-Y502 HydrophobicContact CD1-CG 4.02Å; F21-Y502 AromaticContact CD2-CD2 3.56Å; F21-Y502 HydrophobicContact CD2-CD2 3.56Å; F21-Y502 HydrophobicContact CD2-CE2 4.24Å; F21-Y502 AromaticContact CD2-CG 3.77Å; F21-Y502 HydrophobicContact CD2-CG 3.77Å; F21-Y502 HydrophobicContact CE1-CD1 4.14Å; F21-Y502 HydrophobicContact CE1-CG 4.12Å; F21-Y502 HydrophobicContact CE2-CD2 4.11Å; F21-Y502 AromaticContact CE2-CG 3.87Å; F21-Y502 HydrophobicContact CE2-CG 3.87Å; F21-Y502 HydrophobicContact CG-CD1 4.29Å; F21-Y502 AromaticContact CG-CD2 3.61Å; F21-Y502 HydrophobicContact CG-CD2 3.61Å; F21-Y502 AromaticContact CG-CE2 3.86Å; F21-Y502 HydrophobicContact CG-CE2 3.86Å; F21-Y502 AromaticContact CG-CG 3.85Å; F21-Y502 HydrophobicContact CG-CG 3.85Å; F21-Y502 HydrophobicContact CZ-CD1 4.44Å; F21-Y502 HydrophobicContact CZ-CG 4.04Å
22A81.5Confident74.4Confident0 Ų060.2 Ų60.20%036%0.361CS..Hα-helixtrans-65.5-23.9-18000000113.3I18 L30 A31 F34I18-A22 WeakPolarHBondContact O-CB 3.47Å; I18-A22 PolarHBondContact O-N 3.44Å; A22-L30 HydrophobicContact CB-CB 4.2Å; A22-L30 HydrophobicContact CB-CD2 4.49Å; A22-A31 WeakPolarHBondContact O-CA 3.33Å; A22-A31 PolarHBondContact O-N 3.3Å; A22-F34 HydrophobicContact CB-CB 3.63Å; A22-F34 HydrophobicContact CB-CD2 3.91Å; A22-F34 HydrophobicContact CB-CG 4.11Å
23S77.5Confident76.4Confident76 Ų7658.5 Ų58.553%0.53134%0.337SS..Hα-helixtrans-84.7-21174.849.80000113.7Q19 A20 F21Q19-S23 WeakPolarHBondContact O-CB 3.28Å; Q19-S23 PolarHBondContact O-N 3.24Å; Q19-S23 VanDerWaalsContact O-N 3.15Å; Q19-S23 PolarHBondContact O-OG 3.27Å; A20-S23 WeakPolarHBondContact CA-OG 3.36Å; A20-S23 PolarHBondContact O-OG 2.88Å; F21-S23 PolarHBondContact O-N 3.09Å
24S80.4Confident77.9Confident88 Ų8856.5 Ų56.562%0.61532%0.319SS*.Hα-helixtrans-96.8-11.2174.564.10000114.1A20 F21A20-S24 PolarHBondContact O-N 2.7Å; A20-S24 PolarHBondContact O-OG 2.96Å; F21-S24 PolarHBondContact O-N 2.89Å; F21-S24 VanDerWaalsContact O-N 3.13Å; F21-S24 PolarHBondContact O-OG 2.82Å; F21-S24 VanDerWaalsContact O-OG 3.07Å
25S80.8Confident78.7Confident17 Ų1750.6 Ų50.612%0.11930%0.295CS..SBendtrans-74.8149.3-178-177.50000112.3F21 L27F21-S25 WeakPolarHBondContact O-CB 3.41Å; F21-S25 PolarHBondContact O-N 3.22Å; S25-L27 PolarHBondContact O-N 2.86Å; S25-L27 PolarHBondContact OG-N 3.43Å
26T77.9Confident79.2Confident65 Ų6557.2 Ų57.240%0.39932%0.316SS..SBendtrans-77.5-3.117772.90000113.9H28 T495T26-H28 PolarHBondContact O-N 3.37Å; T26-T495 WeakPolarHBondContact OG1-CG2 3.48Å; T26-T495 PolarHBondContact OG1-OG1 3.06Å
27L82.6Confident79.2Confident12 Ų1259.8 Ų59.86%0.06332%0.322CS..  trans-77.3115.4-178-69.6163.3000111S25 G29 L30 I489 A491 T495 L499S25-L27 PolarHBondContact O-N 2.86Å; S25-L27 PolarHBondContact OG-N 3.43Å; L27-G29 PolarHBondContact O-N 3.04Å; L27-L30 HydrophobicContact CB-CB 4.21Å; L27-L30 HydrophobicContact CB-CD1 3.59Å; L27-L30 HydrophobicContact CB-CG 4.26Å; L27-L30 HydrophobicContact CD1-CD1 3.21Å; L27-L30 HydrophobicContact CG-CD1 3.96Å; L27-L30 PolarHBondContact O-N 2.86Å; L27-L30 VanDerWaalsContact O-N 3.17Å; L27-I489 HydrophobicContact CD2-CB 4.44Å; L27-I489 HydrophobicContact CD2-CG2 3.41Å; L27-I489 VanDerWaalsContact CD2-CG2 3.41Å; L27-A491 HydrophobicContact CD2-CB 3.7Å; L27-T495 HydrophobicContact CD1-CG2 3.84Å; L27-T495 HydrophobicContact CD2-CG2 3.5Å; L27-T495 HydrophobicContact CG-CG2 3.38Å; L27-L499 HydrophobicContact CD1-CD1 3.85Å; L27-L499 HydrophobicContact CD1-CD2 3.96Å; L27-L499 HydrophobicContact CD1-CG 4.08Å
28H81.4Confident78.8Confident133 Ų13368.3 Ų68.362%0.61635%0.346SS*.THydrogen-bonded Turntrans-56.3-30.2-170.2-67.3162.1000114.7T26 I489T26-H28 PolarHBondContact O-N 3.37Å; H28-I489 PolarHBondContact N-O 3.39Å; H28-I489 VanDerWaalsContact N-O 3.08Å
29G80.2Confident78.3Confident7 Ų773.3 Ų73.37%0.07237%0.373CS..THydrogen-bonded Turntrans-91-20-177.200000115.8L27 H32 I33L27-G29 PolarHBondContact O-N 3.04Å; G29-H32 PolarHBondContact O-N 3.48Å; G29-I33 WeakPolarHBondContact O-CD1 3.1Å; G29-I33 VanDerWaalsContact O-CG1 3.29Å; G29-I33 WeakPolarHBondContact O-CG1 3.33Å; G29-I33 PolarHBondContact O-N 3.25Å
30L82.1Confident78.1Confident23 Ų2372.1 Ų72.112%0.1237%0.372CS..Hα-helixtrans-72.8-38.5-167.5-93.9161.3000113.2A22 L27 H32 I33 F34 F50A22-L30 HydrophobicContact CB-CB 4.2Å; A22-L30 HydrophobicContact CB-CD2 4.49Å; L27-L30 HydrophobicContact CB-CB 4.21Å; L27-L30 HydrophobicContact CB-CD1 3.59Å; L27-L30 HydrophobicContact CB-CG 4.26Å; L27-L30 HydrophobicContact CD1-CD1 3.21Å; L27-L30 HydrophobicContact CG-CD1 3.96Å; L27-L30 PolarHBondContact O-N 2.86Å; L27-L30 VanDerWaalsContact O-N 3.17Å; L30-H32 VanDerWaalsContact C-N 3.26Å; L30-H32 PolarHBondContact O-N 3.47Å; L30-I33 PolarHBondContact O-N 3.35Å; L30-F34 HydrophobicContact CD2-CD2 3.49Å; L30-F34 VanDerWaalsContact CD2-CD2 3.49Å; L30-F34 HydrophobicContact CD2-CE2 3.37Å; L30-F34 PolarHBondContact O-N 2.03Å; L30-F50 HydrophobicContact CG-CZ 4.5Å
31A81.8Confident78.2Confident43 Ų4378.5 Ų78.536%0.35540%0.401SS..Hα-helixtrans-60.8-33.6178.400000113A22A22-A31 WeakPolarHBondContact O-CA 3.33Å; A22-A31 PolarHBondContact O-N 3.3Å
32H81.9Confident78.3Confident99 Ų9984.7 Ų84.746%0.45843%0.428SS..Hα-helixtrans-82.3-28.2179.9-65.7-62.5000113.4G29 L30 W46G29-H32 PolarHBondContact O-N 3.48Å; L30-H32 VanDerWaalsContact C-N 3.26Å; L30-H32 PolarHBondContact O-N 3.47Å; H32-W46 HydrophobicContact CB-CB 4.45Å; H32-W46 HydrophobicContact CB-CD2 3.99Å; H32-W46 HydrophobicContact CB-CE3 4.49Å; H32-W46 HydrophobicContact CB-CG 3.95Å
33I83.3Confident78.3Confident28 Ų2886.9 Ų86.914%0.14444%0.437CS..Hα-helixtrans-74.8-43176.5-65.5165.8000110.5G29 L30 R43 W46 A47 F50G29-I33 WeakPolarHBondContact O-CD1 3.1Å; G29-I33 VanDerWaalsContact O-CG1 3.29Å; G29-I33 WeakPolarHBondContact O-CG1 3.33Å; G29-I33 PolarHBondContact O-N 3.25Å; L30-I33 PolarHBondContact O-N 3.35Å; I33-R43 WeakPolarHBondContact O-CD 3.44Å; I33-R43 PolarHBondContact O-NE 2.95Å; I33-W46 HydrophobicContact CG1-CB 4.18Å; I33-A47 HydrophobicContact CD1-CB 4.48Å; I33-A47 HydrophobicContact CG1-CB 4.38Å; I33-F50 HydrophobicContact CD1-CB 3.75Å; I33-F50 HydrophobicContact CD1-CD1 4.03Å; I33-F50 HydrophobicContact CD1-CG 3.86Å
34F80.7Confident78.6Confident75 Ų7586.3 Ų86.333%0.32944%0.437SS..SBendtrans-104.337.1-174.3-67.4-75000114I18 Q19 A22 L30I18-F34 HydrophobicContact CG1-CD1 4.14Å; I18-F34 HydrophobicContact CG1-CE1 4.06Å; I18-F34 HydrophobicContact CG1-CE2 4.5Å; I18-F34 HydrophobicContact CG1-CG 4.4Å; I18-F34 HydrophobicContact CG1-CZ 4.24Å; I18-F34 HydrophobicContact CG2-CD1 4.26Å; Q19-F34 WeakPolarHBondContact CG-O 3.38Å; A22-F34 HydrophobicContact CB-CB 3.63Å; A22-F34 HydrophobicContact CB-CD2 3.91Å; A22-F34 HydrophobicContact CB-CG 4.11Å; L30-F34 HydrophobicContact CD2-CD2 3.49Å; L30-F34 VanDerWaalsContact CD2-CD2 3.49Å; L30-F34 HydrophobicContact CD2-CE2 3.37Å; L30-F34 PolarHBondContact O-N 2.03Å
35S76.6Confident78.9Confident35 Ų3587.5 Ų87.525%0.24544%0.435CS..  trans-66.5170.4176.6710000112.9E37 R43S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 2.83Å; S35-R43 PolarHBondContact O-NH2 2.91Å; S35-R43 PolarHBondContact OG-NE 3.2Å; S35-R43 PolarHBondContact OG-NH2 3.34Å
36Y71.6Confident79.1Confident179 Ų17992.3 Ų92.370%0.70245%0.451SS*.SBendtrans-81.7-3.1179.4-73.7-87.9000114.5Q19Q19-Y36 HydrophobicContact CB-CE1 4.23Å; Q19-Y36 HydrophobicContact CB-CE2 4.34Å
37E69.2Low79.5Confident140 Ų14090.6 Ų90.665%0.65444%0.443SS*.SBendtrans-74.1172-179.4-63.3-174.1158.100114.7S35 R43S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 2.83Å; E37-R43 VanDerWaalsContact CA-NH2 3.34Å; E37-R43 PolarHBondContact O-NH1 2.85Å; E37-R43 VanDerWaalsContact O-NH1 3.1Å; E37-R43 PolarHBondContact O-NH2 3.07Å
38R68.9Low79.9Confident232 Ų23295.9 Ų95.988%0.87547%0.471SS*.PPolyproline II helixtrans-72.1157173-71.6-178179.2-179.70.1111.3S40R38-S40 PolarHBondContact O-N 2.92Å; R38-S40 VanDerWaalsContact O-N 3.09Å
39L68.4Low80.3Confident165 Ų16592.4 Ų92.486%0.86446%0.461SS*.PPolyproline II helixtrans-53.6117.7175.9-84.478.1000110
40S74.9Confident80.7Confident44 Ų4494 Ų9431%0.30847%0.466SS..  trans-130.5156.4-176.869.30000110.6R38 K42 R43 A44R38-S40 PolarHBondContact O-N 2.92Å; R38-S40 VanDerWaalsContact O-N 3.09Å; S40-K42 PolarHBondContact O-N 2.81Å; S40-K42 VanDerWaalsContact O-N 3.1Å; S40-R43 PolarHBondContact O-N 3Å; S40-A44 PolarHBondContact O-N 3.22Å
41L80.3Confident81Confident162 Ų16298.2 Ų98.285%0.84849%0.488SS*.Hα-helixtrans-52.4-30.7173.7-76159.1000112.3R43 A44 L45L41-R43 PolarHBondContact O-N 3.11Å; L41-A44 PolarHBondContact O-N 2.99Å; L41-L45 PolarHBondContact O-N 3.4Å
42K81.4Confident81.5Confident156 Ų15697.9 Ų97.968%0.67849%0.488SS*.Hα-helixtrans-62.5-39.1176.5-65.6-175.4177.2-1780112.5S40 L45 W46S40-K42 PolarHBondContact O-N 2.81Å; S40-K42 VanDerWaalsContact O-N 3.1Å; K42-L45 PolarHBondContact O-N 2.89Å; K42-W46 PolarHBondContact O-N 3.4Å
43R82.3Confident81.9Confident46 Ų4695.1 Ų95.117%0.17448%0.48CS..Hα-helixtrans-68.3-40.3176.9-73.4-167.4176.5161.414.4112.8I33 S35 E37 S40 L41 L45 W46 A47I33-R43 WeakPolarHBondContact O-CD 3.44Å; I33-R43 PolarHBondContact O-NE 2.95Å; S35-R43 PolarHBondContact O-NH2 2.91Å; S35-R43 PolarHBondContact OG-NE 3.2Å; S35-R43 PolarHBondContact OG-NH2 3.34Å; E37-R43 VanDerWaalsContact CA-NH2 3.34Å; E37-R43 PolarHBondContact O-NH1 2.85Å; E37-R43 VanDerWaalsContact O-NH1 3.1Å; E37-R43 PolarHBondContact O-NH2 3.07Å; S40-R43 PolarHBondContact O-N 3Å; L41-R43 PolarHBondContact O-N 3.11Å; R43-L45 VanDerWaalsContact C-N 3.29Å; R43-L45 PolarHBondContact O-N 3.16Å; R43-W46 PolarHBondContact O-N 3.28Å; R43-A47 VanDerWaalsContact O-CB 3.29Å; R43-A47 WeakPolarHBondContact O-CB 3.46Å; R43-A47 PolarHBondContact O-N 3.06Å
44A83.7Confident82.1Confident64 Ų6496.5 Ų96.553%0.52949%0.488SS..Hα-helixtrans-62.2-40.7176.400000110.9S40 L41 L48S40-A44 PolarHBondContact O-N 3.22Å; L41-A44 PolarHBondContact O-N 2.99Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 3.41Å
45L87.1Confident82.7Confident112 Ų11295.4 Ų95.459%0.58649%0.492SS*.Hα-helixtrans-64.6-48.6175.8-172.966.9000112.1L41 K42 R43 A47 L48 C49L41-L45 PolarHBondContact O-N 3.4Å; K42-L45 PolarHBondContact O-N 2.89Å; R43-L45 VanDerWaalsContact C-N 3.29Å; R43-L45 PolarHBondContact O-N 3.16Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 3.12Å; L45-L48 PolarHBondContact O-N 3.13Å; L45-C49 PolarHBondContact O-N 3.12Å; L45-C49 PolarHBondContact O-SG 2.75Å; L45-C49 VanDerWaalsContact O-SG 3.34Å
46W85.9Confident83.3Confident119 Ų11997 Ų9745%0.45150%0.501SS..Hα-helixtrans-62-39177-82.9112.2000112.9H32 I33 K42 R43 F50H32-W46 HydrophobicContact CB-CB 4.45Å; H32-W46 HydrophobicContact CB-CD2 3.99Å; H32-W46 HydrophobicContact CB-CE3 4.49Å; H32-W46 HydrophobicContact CB-CG 3.95Å; I33-W46 HydrophobicContact CG1-CB 4.18Å; K42-W46 PolarHBondContact O-N 3.4Å; R43-W46 PolarHBondContact O-N 3.28Å; W46-F50 VanDerWaalsContact O-CB 3.26Å; W46-F50 WeakPolarHBondContact O-CB 3.35Å; W46-F50 PolarHBondContact O-N 2.77Å
47A86.1Confident84.1Confident29 Ų2989 Ų8924%0.2447%0.47CS..Hα-helixtrans-65.4-41.4175.100000112.1I33 R43 L45 F50 L51I33-A47 HydrophobicContact CD1-CB 4.48Å; I33-A47 HydrophobicContact CG1-CB 4.38Å; R43-A47 VanDerWaalsContact O-CB 3.29Å; R43-A47 WeakPolarHBondContact O-CB 3.46Å; R43-A47 PolarHBondContact O-N 3.06Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 3.12Å; A47-F50 PolarHBondContact O-N 3.24Å; A47-L51 WeakPolarHBondContact O-CB 3.06Å; A47-L51 VanDerWaalsContact O-CG 3.28Å; A47-L51 WeakPolarHBondContact O-CG 3.08Å; A47-L51 PolarHBondContact O-N 3.27Å
48L90.3Very high85Confident123 Ų12387.1 Ų87.164%0.64446%0.464SS*.Hα-helixtrans-67.1-43.1177.3-172.2144.8000111.7A44 L45 G52A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 3.41Å; L45-L48 PolarHBondContact O-N 3.13Å; L48-G52 PolarHBondContact O-N 3.34Å
49C89.1Confident86.1Confident60 Ų6080.2 Ų80.241%0.40545%0.45SS..Hα-helixtrans-62.7-45174.7-690000111.6L45 G52 S53L45-C49 PolarHBondContact O-N 3.12Å; L45-C49 PolarHBondContact O-SG 2.75Å; L45-C49 VanDerWaalsContact O-SG 3.34Å; C49-G52 PolarHBondContact O-N 2.73Å; C49-S53 WeakPolarHBondContact O-CB 3.24Å; C49-S53 PolarHBondContact O-N 2.78Å; C49-S53 PolarHBondContact O-OG 2.86Å; C49-S53 VanDerWaalsContact O-OG 3.09Å
50F88.4Confident87Confident41 Ų4174.1 Ų74.118%0.1842%0.42CS..Hα-helixtrans-63.7-44.6178.1-178.8-96.9000112.5L30 I33 W46 A47 G52 S53 L54 I489L30-F50 HydrophobicContact CG-CZ 4.5Å; I33-F50 HydrophobicContact CD1-CB 3.75Å; I33-F50 HydrophobicContact CD1-CD1 4.03Å; I33-F50 HydrophobicContact CD1-CG 3.86Å; W46-F50 VanDerWaalsContact O-CB 3.26Å; W46-F50 WeakPolarHBondContact O-CB 3.35Å; W46-F50 PolarHBondContact O-N 2.77Å; A47-F50 PolarHBondContact O-N 3.24Å; F50-G52 VanDerWaalsContact C-N 3.34Å; F50-S53 PolarHBondContact O-N 3.36Å; F50-L54 WeakPolarHBondContact O-CB 3.48Å; F50-L54 PolarHBondContact O-N 3.17Å; F50-I489 HydrophobicContact CE2-CG2 3.58Å; F50-I489 HydrophobicContact CZ-CG2 4.06Å
51L89.7Confident87.6Confident111 Ų11173.1 Ų73.158%0.58141%0.412SS*.Hα-helixtrans-64.4-38.7175.3-74.2170.2000111.8A47 L54 A55A47-L51 WeakPolarHBondContact O-CB 3.06Å; A47-L51 VanDerWaalsContact O-CG 3.28Å; A47-L51 WeakPolarHBondContact O-CG 3.08Å; A47-L51 PolarHBondContact O-N 3.27Å; L51-L54 PolarHBondContact O-N 2.82Å; L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 2.63Å
52G91.8Very high87.9Confident35 Ų3568.8 Ų68.836%0.36139%0.393SS..Hα-helixtrans-62.5-48.1173.900000112.4L48 C49 F50 L54 A55 V56L48-G52 PolarHBondContact O-N 3.34Å; C49-G52 PolarHBondContact O-N 2.73Å; F50-G52 VanDerWaalsContact C-N 3.34Å; G52-L54 VanDerWaalsContact C-N 3.35Å; G52-L54 PolarHBondContact O-N 3.38Å; G52-A55 PolarHBondContact O-N 3.17Å; G52-V56 WeakPolarHBondContact O-CG2 3.14Å; G52-V56 PolarHBondContact O-N 3.05Å
53S89.8Confident88.3Confident41 Ų4166.1 Ų66.129%0.28738%0.383SS..Hα-helixtrans-62.1-40.1175.8-64.20000112.3C49 F50 L57C49-S53 WeakPolarHBondContact O-CB 3.24Å; C49-S53 PolarHBondContact O-N 2.78Å; C49-S53 PolarHBondContact O-OG 2.86Å; C49-S53 VanDerWaalsContact O-OG 3.09Å; F50-S53 PolarHBondContact O-N 3.36Å; S53-L57 VanDerWaalsContact O-CB 3.32Å; S53-L57 WeakPolarHBondContact O-CB 3.47Å; S53-L57 PolarHBondContact O-N 3.37Å
54L88.8Confident88.4Confident57 Ų5767.6 Ų67.630%0.29839%0.388SS..Hα-helixtrans-65.3-42.2174.4178.663.6000112F50 L51 G52 L57 L58 I489F50-L54 WeakPolarHBondContact O-CB 3.48Å; F50-L54 PolarHBondContact O-N 3.17Å; L51-L54 PolarHBondContact O-N 2.82Å; G52-L54 VanDerWaalsContact C-N 3.35Å; G52-L54 PolarHBondContact O-N 3.38Å; L54-L57 PolarHBondContact O-N 2.91Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.19Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.49Å; L54-I489 HydrophobicContact CB-CD1 4.06Å; L54-I489 HydrophobicContact CD1-CD1 3.51Å; L54-I489 HydrophobicContact CG-CD1 4.39Å
55A91.7Very high88.5Confident52 Ų5266.9 Ų66.943%0.4338%0.378SS..Hα-helixtrans-63.2-45.4177.400000111.7L51 G52 L58 C59L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 2.63Å; G52-A55 PolarHBondContact O-N 3.17Å; A55-L58 PolarHBondContact O-N 2.96Å; A55-C59 PolarHBondContact O-N 3.4Å; A55-C59 PolarHBondContact O-SG 3.18Å; A55-C59 VanDerWaalsContact O-SG 3.34Å
56V90.3Very high88.5Confident69 Ų6966.9 Ų66.942%0.41838%0.375SS..Hα-helixtrans-62.3-45175.9173.60000110.9G52 L58 C59 V60 F488G52-V56 WeakPolarHBondContact O-CG2 3.14Å; G52-V56 PolarHBondContact O-N 3.05Å; V56-L58 PolarHBondContact O-N 3.17Å; V56-C59 PolarHBondContact O-N 3.5Å; V56-V60 HydrophobicContact CG1-CG2 4.32Å; V56-V60 WeakPolarHBondContact O-CG2 3.46Å; V56-V60 PolarHBondContact O-N 2.88Å; V56-F488 HydrophobicContact CB-CE1 4.47Å; V56-F488 HydrophobicContact CG1-CE1 3.92Å; V56-F488 HydrophobicContact CG1-CE2 4.22Å; V56-F488 HydrophobicContact CG1-CZ 3.6Å
57L87.9Confident88.6Confident11 Ų1165.6 Ų65.66%0.05837%0.37CS..Hα-helixtrans-57.3-47.6176.2176.667.5000111.5S53 L54 C59 V60 C61 Q484 M485 F488 I489S53-L57 VanDerWaalsContact O-CB 3.32Å; S53-L57 WeakPolarHBondContact O-CB 3.47Å; S53-L57 PolarHBondContact O-N 3.37Å; L54-L57 PolarHBondContact O-N 2.91Å; L57-C59 VanDerWaalsContact C-N 3.35Å; L57-C59 PolarHBondContact O-N 3.07Å; L57-V60 PolarHBondContact O-N 3Å; L57-C61 VanDerWaalsContact CD1-SG 3.6Å; L57-C61 VanDerWaalsContact O-CB 3.3Å; L57-C61 WeakPolarHBondContact O-CB 3.35Å; L57-C61 PolarHBondContact O-N 3.4Å; L57-C61 PolarHBondContact O-SG 2.59Å; L57-Q484 VanDerWaalsContact CD1-C 3.44Å; L57-Q484 HydrophobicContact CD1-CB 3.73Å; L57-Q484 WeakPolarHBondContact CD1-O 3.19Å; L57-M485 HydrophobicContact CD1-CG 4.18Å; L57-M485 HydrophobicContact CD2-CG 4.16Å; L57-F488 HydrophobicContact CB-CB 4.23Å; L57-F488 HydrophobicContact CB-CD2 4.17Å; L57-F488 HydrophobicContact CB-CG 4.35Å; L57-F488 HydrophobicContact CD1-CB 4.48Å; L57-F488 HydrophobicContact CD1-CD2 3.96Å; L57-I489 HydrophobicContact CD2-CD1 3.41Å; L57-I489 VanDerWaalsContact CD2-CD1 3.41Å; L57-I489 HydrophobicContact CD2-CG1 3.86Å
58L88.7Confident88.6Confident100 Ų10065.6 Ų65.652%0.52436%0.364SS..Hα-helixtrans-62.5-41.2179-72.3172.7000111.9L54 A55 V56 T62L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CG 4.27Å; L54-L58 HydrophobicContact CG-CD1 4.19Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.49Å; A55-L58 PolarHBondContact O-N 2.96Å; V56-L58 PolarHBondContact O-N 3.17Å; L58-T62 VanDerWaalsContact O-CB 3.29Å; L58-T62 WeakPolarHBondContact O-CB 3.48Å; L58-T62 PolarHBondContact O-N 2.95Å; L58-T62 PolarHBondContact O-OG1 3.37Å
59C90.9Very high88.5Confident88 Ų8865.5 Ų65.560%0.59536%0.359SS*.Hα-helixtrans-60.7-52175.4-72.70000111.5A55 V56 L57 C61 T62 E63A55-C59 PolarHBondContact O-N 3.4Å; A55-C59 PolarHBondContact O-SG 3.18Å; A55-C59 VanDerWaalsContact O-SG 3.34Å; V56-C59 PolarHBondContact O-N 3.5Å; L57-C59 VanDerWaalsContact C-N 3.35Å; L57-C59 PolarHBondContact O-N 3.07Å; C59-C61 PolarHBondContact O-N 3.06Å; C59-T62 PolarHBondContact O-N 3.14Å; C59-E63 PolarHBondContact O-N 3.45Å
60V88.3Confident88.6Confident37 Ų3768.7 Ų68.722%0.22437%0.367CS..Hα-helixtrans-63.6-43-179.5174.90000111.1V56 L57 T62 E63 R64 Q484V56-V60 HydrophobicContact CG1-CG2 4.32Å; V56-V60 WeakPolarHBondContact O-CG2 3.46Å; V56-V60 PolarHBondContact O-N 2.88Å; L57-V60 PolarHBondContact O-N 3Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-T62 PolarHBondContact O-N 3.29Å; V60-E63 PolarHBondContact O-N 3.48Å; V60-R64 HydrophobicContact CG1-CG 4.44Å; V60-R64 WeakPolarHBondContact O-CG 3.5Å; V60-R64 PolarHBondContact O-N 2.84Å; V60-Q484 HydrophobicContact CG1-CG 4.17Å
61C86.6Confident88.6Confident22 Ų2269.9 Ų69.915%0.14937%0.371CS..Hα-helixtrans-62.2-43.2176.6-67.90000111.4L57 C59 E63 R64 V65L57-C61 VanDerWaalsContact CD1-SG 3.6Å; L57-C61 VanDerWaalsContact O-CB 3.3Å; L57-C61 WeakPolarHBondContact O-CB 3.35Å; L57-C61 PolarHBondContact O-N 3.4Å; L57-C61 PolarHBondContact O-SG 2.59Å; C59-C61 PolarHBondContact O-N 3.06Å; C61-E63 VanDerWaalsContact C-N 3.34Å; C61-E63 PolarHBondContact O-N 2.94Å; C61-R64 PolarHBondContact O-N 3.08Å; C61-V65 WeakPolarHBondContact O-CB 3.39Å; C61-V65 VanDerWaalsContact O-CG2 3.23Å; C61-V65 WeakPolarHBondContact O-CG2 3.43Å; C61-V65 PolarHBondContact O-N 2.84Å
62T88Confident88.6Confident72 Ų7268.3 Ų68.344%0.44236%0.361SS..Hα-helixtrans-62.3-43.9177.7-570000110.8L58 C59 V60 V65 Q66L58-T62 VanDerWaalsContact O-CB 3.29Å; L58-T62 WeakPolarHBondContact O-CB 3.48Å; L58-T62 PolarHBondContact O-N 2.95Å; L58-T62 PolarHBondContact O-OG1 3.37Å; C59-T62 PolarHBondContact O-N 3.14Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-T62 PolarHBondContact O-N 3.29Å; T62-V65 PolarHBondContact O-N 3.05Å; T62-Q66 HydrophobicContact CG2-CG 4.39Å; T62-Q66 WeakPolarHBondContact O-CB 3.18Å; T62-Q66 VanDerWaalsContact O-CG 3.29Å; T62-Q66 WeakPolarHBondContact O-CG 3.49Å; T62-Q66 PolarHBondContact O-N 2.92Å
63E88.2Confident88.7Confident99 Ų9970.3 Ų70.346%0.46336%0.361SS..Hα-helixtrans-60-46.2175.9-171.4-162.8128.500111.6C59 V60 C61 Q66 Y67C59-E63 PolarHBondContact O-N 3.45Å; V60-E63 PolarHBondContact O-N 3.48Å; C61-E63 VanDerWaalsContact C-N 3.34Å; C61-E63 PolarHBondContact O-N 2.94Å; E63-Q66 PolarHBondContact O-N 2.74Å; E63-Y67 VanDerWaalsContact O-CB 3.32Å; E63-Y67 WeakPolarHBondContact O-CB 3.27Å; E63-Y67 PolarHBondContact O-N 3.1Å
64R85.3Confident88.8Confident77 Ų7772.3 Ų72.329%0.29137%0.371SS..Hα-helixtrans-64.7-40.7178.3-67.1-61.8121.6171.6-1112.4V60 C61 Y67 Y68 D480V60-R64 HydrophobicContact CG1-CG 4.44Å; V60-R64 WeakPolarHBondContact O-CG 3.5Å; V60-R64 PolarHBondContact O-N 2.84Å; C61-R64 PolarHBondContact O-N 3.08Å; R64-Y67 PolarHBondContact O-N 3.02Å; R64-Y68 PolarHBondContact O-N 3.26Å; R64-D480 HydrophobicContact CG-CB 4.4Å
65V86.1Confident89.1Confident50 Ų5073.8 Ų73.830%0.30338%0.382SS..Hα-helixtrans-65.4-44.6176171.40000110.7C61 T62 Y68 F69 I481C61-V65 WeakPolarHBondContact O-CB 3.39Å; C61-V65 VanDerWaalsContact O-CG2 3.23Å; C61-V65 WeakPolarHBondContact O-CG2 3.43Å; C61-V65 PolarHBondContact O-N 2.84Å; T62-V65 PolarHBondContact O-N 3.05Å; V65-Y68 PolarHBondContact O-N 3.29Å; V65-F69 HydrophobicContact CG1-CD2 3.67Å; V65-F69 HydrophobicContact CG1-CE2 3.51Å; V65-F69 WeakPolarHBondContact O-CD2 3.4Å; V65-F69 PolarHBondContact O-N 2.86Å; V65-I481 HydrophobicContact CG2-CD1 3.78Å
66Q87.8Confident89.1Confident112 Ų11275.3 Ų75.352%0.52338%0.379SS..Hα-helixtrans-60-46.7174.4-76177.9-7.600111T62 E63 Y68 F69 H70T62-Q66 HydrophobicContact CG2-CG 4.39Å; T62-Q66 WeakPolarHBondContact O-CB 3.18Å; T62-Q66 VanDerWaalsContact O-CG 3.29Å; T62-Q66 WeakPolarHBondContact O-CG 3.49Å; T62-Q66 PolarHBondContact O-N 2.92Å; E63-Q66 PolarHBondContact O-N 2.74Å; Q66-Y68 VanDerWaalsContact C-N 3.3Å; Q66-Y68 PolarHBondContact O-N 2.83Å; Q66-F69 CarbonylContact O-C 3.57Å; Q66-F69 PolarHBondContact O-N 2.96Å; Q66-F69 VanDerWaalsContact O-N 3.11Å; Q66-H70 PolarHBondContact O-N 2.9Å; Q66-H70 PolarHBondContact O-ND1 3Å
67Y86.4Confident89.3Confident91 Ų9177.3 Ų77.336%0.35739%0.387SS..Hα-helixtrans-58.5-40.2177.5-174.5-95.3000112.5E63 R64 H70 H72E63-Y67 VanDerWaalsContact O-CB 3.32Å; E63-Y67 WeakPolarHBondContact O-CB 3.27Å; E63-Y67 PolarHBondContact O-N 3.1Å; R64-Y67 PolarHBondContact O-N 3.02Å; Y67-H70 PolarHBondContact O-N 3Å; Y67-H72 AromaticContact CD2-CD2 3.51Å; Y67-H72 AromaticContact CD2-NE2 3.74Å; Y67-H72 AromaticContact CE2-CD2 3.15Å; Y67-H72 WeakPolarHBondContact CE2-CD2 3.44Å; Y67-H72 AromaticContact CE2-NE2 3.53Å; Y67-H72 AromaticContact CZ-CD2 3.42Å; Y67-H72 VanDerWaalsContact CZ-CD2 3.42Å
68Y86.1Confident89.5Confident29 Ų2979.3 Ų79.311%0.11440%0.398CS..Hα-helixtrans-61.8-44.9173.5173.8-103.3000112.3R64 V65 Q66 H70 Y71 Y426 I428 L431R64-Y68 PolarHBondContact O-N 3.26Å; V65-Y68 PolarHBondContact O-N 3.29Å; Q66-Y68 VanDerWaalsContact C-N 3.3Å; Q66-Y68 PolarHBondContact O-N 2.83Å; Y68-H70 PolarHBondContact O-N 2.83Å; Y68-Y71 PolarHBondContact O-N 2.85Å; Y68-Y426 AromaticContact CD2-CD1 3.94Å; Y68-Y426 HydrophobicContact CD2-CD1 3.94Å; Y68-I428 HydrophobicContact CE2-CG1 3.97Å; Y68-I428 WeakPolarHBondContact OH-CD1 3.33Å; Y68-I428 WeakPolarHBondContact OH-CG1 3.37Å; Y68-L431 HydrophobicContact CD1-CD2 4.06Å; Y68-L431 HydrophobicContact CD2-CD2 4.5Å; Y68-L431 HydrophobicContact CE1-CD2 4.5Å; Y68-L431 HydrophobicContact CG-CD2 4.06Å
69F89.6Confident89.6Confident121 Ų12181.1 Ų81.153%0.53140%0.403SS..Hα-helixtrans-73.4-6.9178-73.7-61.4000114.5V65 Q66 Y71V65-F69 HydrophobicContact CG1-CD2 3.67Å; V65-F69 HydrophobicContact CG1-CE2 3.51Å; V65-F69 WeakPolarHBondContact O-CD2 3.4Å; V65-F69 PolarHBondContact O-N 2.86Å; Q66-F69 CarbonylContact O-C 3.57Å; Q66-F69 PolarHBondContact O-N 2.96Å; Q66-F69 VanDerWaalsContact O-N 3.11Å; F69-Y71 VanDerWaalsContact C-N 3.25Å; F69-Y71 HydrophobicContact CD1-CE2 4.49Å; F69-Y71 WeakPolarHBondContact O-CD2 3.4Å; F69-Y71 VanDerWaalsContact O-CE2 3.25Å; F69-Y71 WeakPolarHBondContact O-CE2 3.49Å
70H89.9Confident89.6Confident127 Ų12779.3 Ų79.359%0.58839%0.39SS*.THydrogen-bonded Turntrans-80.5-6.6165.7-76.571.7000112.6Q66 Y67 Y68 H72Q66-H70 PolarHBondContact O-N 2.9Å; Q66-H70 PolarHBondContact O-ND1 3Å; Y67-H70 PolarHBondContact O-N 3Å; Y68-H70 PolarHBondContact O-N 2.83Å; H70-H72 VanDerWaalsContact C-N 3.29Å; H70-H72 PolarHBondContact O-N 3.2Å
71Y89.7Confident89.7Confident67 Ų6781.9 Ų81.926%0.26342%0.415SS..THydrogen-bonded Turntrans51.341.6174.5-59-78000114.5Y68 F69 P286 W287Y68-Y71 PolarHBondContact O-N 2.85Å; F69-Y71 VanDerWaalsContact C-N 3.25Å; F69-Y71 HydrophobicContact CD1-CE2 4.49Å; F69-Y71 WeakPolarHBondContact O-CD2 3.4Å; F69-Y71 VanDerWaalsContact O-CE2 3.25Å; F69-Y71 WeakPolarHBondContact O-CE2 3.49Å; Y71-P286 HydrophobicContact CD1-CB 4.15Å; Y71-P286 HydrophobicContact CD1-CG 3.59Å; Y71-P286 HydrophobicContact CD2-CB 3.9Å; Y71-P286 HydrophobicContact CD2-CG 4.21Å; Y71-P286 HydrophobicContact CE1-CB 4.19Å; Y71-P286 HydrophobicContact CE1-CG 3.45Å; Y71-P286 VanDerWaalsContact CE1-CG 3.45Å; Y71-P286 HydrophobicContact CE2-CB 3.94Å; Y71-P286 HydrophobicContact CE2-CG 4.1Å; Y71-P286 HydrophobicContact CG-CB 4.01Å; Y71-P286 HydrophobicContact CG-CG 3.97Å; Y71-W287 HydrophobicContact CD1-CD2 4.4Å; Y71-W287 AromaticContact CD1-CE2 3.9Å; Y71-W287 HydrophobicContact CD1-CZ2 4.28Å; Y71-W287 AromaticContact CD1-NE1 3.74Å
72H88.8Confident89.8Confident78 Ų7881.9 Ų81.936%0.36142%0.416SS..  trans-58141.8178.9-69.5-65000112.7Y67 H70 A425Y67-H72 AromaticContact CD2-CD2 3.51Å; Y67-H72 AromaticContact CD2-NE2 3.74Å; Y67-H72 AromaticContact CE2-CD2 3.15Å; Y67-H72 WeakPolarHBondContact CE2-CD2 3.44Å; Y67-H72 AromaticContact CE2-NE2 3.53Å; Y67-H72 AromaticContact CZ-CD2 3.42Å; Y67-H72 VanDerWaalsContact CZ-CD2 3.42Å; H70-H72 VanDerWaalsContact C-N 3.29Å; H70-H72 PolarHBondContact O-N 3.2Å; H72-A425 HydrophobicContact CB-CB 4Å; H72-A425 VanDerWaalsContact O-CB 3.24Å; H72-A425 WeakPolarHBondContact O-CB 3.47Å; H72-A425 PolarHBondContact O-N 3.07Å
73H92.9Very high89.8Confident77 Ų7782.9 Ų82.936%0.35643%0.426SS..EExtended strand (participates in β ladder)trans-129157.1173.261.1-97.4000110.3L283 W287 Q422 K423H73-L283 HydrophobicContact CB-CD1 3.84Å; H73-W287 PolarHBondContact CE1-O 2.61Å; H73-W287 PolarHBondContact ND1-O 2.99Å; H73-Q422 PolarHBondContact NE2-NE2 3.44Å; H73-K423 CarbonylContact C-O 3.49Å; H73-K423 WeakPolarHBondContact CA-O 3.3Å; H73-K423 WeakPolarHBondContact CB-O 3.11Å
74V93.3Very high90Very high82 Ų8282.6 Ų82.650%0.49743%0.425SS..EExtended strand (participates in β ladder)trans-124.8148.9175.8-68.30000109.2K423 A425V74-K423 HydrophobicContact CG2-CB 4.27Å; V74-K423 PolarHBondContact N-O 3.08Å; V74-K423 PolarHBondContact O-N 3.32Å; V74-A425 HydrophobicContact CG1-CB 3.97Å
75T94.3Very high90.4Very high88 Ų8879.1 Ų79.154%0.5441%0.412SS..EExtended strand (participates in β ladder)trans-94.3129.6177.2-53.90000110I420 E421T75-I420 HydrophobicContact CG2-CG2 3.6Å; T75-E421 WeakPolarHBondContact CA-O 3.22Å
76K93.1Very high90.8Very high85 Ų8578.8 Ų78.837%0.3741%0.41SS..EExtended strand (participates in β ladder)trans-100126.2170-168.5-172-175-143.90108.7D78 E421 K423K76-D78 WeakPolarHBondContact CD-OD2 3.46Å; K76-D78 WeakPolarHBondContact CE-OD1 3.48Å; K76-D78 WeakPolarHBondContact CE-OD2 3.39Å; K76-D78 VanDerWaalsContact NZ-CG 3.34Å; K76-D78 IonicContact NZ-OD1 3.06Å; K76-D78 PolarHBondContact NZ-OD1 3.01Å; K76-D78 IonicContact NZ-OD2 3.8Å; K76-D78 PolarHBondContact NZ-OD2 2.86Å; K76-E421 PolarHBondContact N-O 3.45Å; K76-E421 PolarHBondContact O-N 3.02Å; K76-K423 HydrophobicContact CB-CD 4.45Å; K76-K423 HydrophobicContact CB-CG 4.48Å; K76-K423 HydrophobicContact CD-CD 4.31Å
77L93.2Very high91.3Very high110 Ų11073.5 Ų73.558%0.57639%0.386SS*.EExtended strand (participates in β ladder)trans-107.7120173.8-165.482.2000108.3E418 I420L77-E418 HydrophobicContact CD1-CG 4.01Å; L77-E418 WeakPolarHBondContact CD1-OE1 3.46Å; L77-I420 HydrophobicContact CD1-CD1 4.32Å; L77-I420 HydrophobicContact CD1-CG1 3.75Å
78D91.8Very high91.8Very high53 Ų5369.2 Ų69.228%0.28337%0.369SS..EExtended strand (participates in β ladder)trans-128.7136.7172.6-62.1-52.6000110.3K76 V80 E418 T419K76-D78 WeakPolarHBondContact CD-OD2 3.46Å; K76-D78 WeakPolarHBondContact CE-OD1 3.48Å; K76-D78 WeakPolarHBondContact CE-OD2 3.39Å; K76-D78 VanDerWaalsContact NZ-CG 3.34Å; K76-D78 IonicContact NZ-OD1 3.06Å; K76-D78 PolarHBondContact NZ-OD1 3.01Å; K76-D78 IonicContact NZ-OD2 3.8Å; K76-D78 PolarHBondContact NZ-OD2 2.86Å; D78-V80 HydrophobicContact CB-CG2 4.3Å; D78-E418 CarbonylContact O-C 3.4Å; D78-E418 WeakPolarHBondContact O-CA 3.4Å; D78-T419 PolarHBondContact N-O 3.1Å; D78-T419 PolarHBondContact O-N 3.44Å
79E90.9Very high92.4Very high138 Ų13867.9 Ų67.965%0.64536%0.363SS*.EExtended strand (participates in β ladder)trans-104.6115.9169.9-166.8-174.3148.400108.5N416E79-N416 HydrophobicContact CG-CB 4.15Å; E79-N416 PolarHBondContact OE1-ND2 3.46Å
80V91.8Very high92.8Very high51 Ų5162.1 Ų62.131%0.30934%0.338SS..EExtended strand (participates in β ladder)trans-113.7122.6-173.2-174.70000109.8D78 A82 N416 Y417D78-V80 HydrophobicContact CB-CG2 4.3Å; V80-A82 PolarHBondContact O-N 2.71Å; V80-N416 VanDerWaalsContact O-CA 3.29Å; V80-N416 WeakPolarHBondContact O-CA 3.36Å; V80-Y417 HydrophobicContact CB-CD1 4.44Å; V80-Y417 HydrophobicContact CB-CD2 4.41Å; V80-Y417 HydrophobicContact CB-CE1 3.91Å; V80-Y417 HydrophobicContact CB-CE2 3.88Å; V80-Y417 HydrophobicContact CG1-CE1 3.92Å; V80-Y417 HydrophobicContact CG1-CE2 4.45Å; V80-Y417 WeakPolarHBondContact CG1-OH 3.18Å; V80-Y417 HydrophobicContact CG2-CE2 4.16Å; V80-Y417 PolarHBondContact N-O 3.03Å; V80-Y417 PolarHBondContact O-N 3.26Å
81A90.1Very high93.2Very high91 Ų9156 Ų5675%0.75231%0.31SS*.EExtended strand (participates in β ladder)trans-68.9130.3172.600000110.5
82A88.9Confident93.6Very high22 Ų2252.9 Ų52.918%0.18230%0.298CS..  trans-116.6144.3176.600000110.5V80 L85 L415 Y417V80-A82 PolarHBondContact O-N 2.71Å; A82-L85 HydrophobicContact CB-CD2 3.52Å; A82-L85 HydrophobicContact CB-CG 4.11Å; A82-L415 PolarHBondContact N-O 3.06Å; A82-L415 VanDerWaalsContact O-CB 3.25Å; A82-L415 WeakPolarHBondContact O-CB 3.46Å; A82-L415 VanDerWaalsContact O-O 3.1Å; A82-Y417 HydrophobicContact CB-CD1 3.93Å; A82-Y417 HydrophobicContact CB-CE1 4.05Å
83S87.4Confident94Very high92 Ų9249.2 Ų49.264%0.64328%0.281SS*.SBendtrans-81.2-23.517455.90000112.9M210S83-M210 WeakPolarHBondContact O-CE 3.4Å
84Q92.1Very high94.2Very high94 Ų9446 Ų4644%0.43927%0.266SS..  trans-147.2139.6177.263.3-176.2-40.900109.1T209 M210Q84-T209 WeakPolarHBondContact CA-O 3.02Å; Q84-M210 HydrophobicContact CB-CE 3.94Å; Q84-M210 HydrophobicContact CB-SD 3.46Å; Q84-M210 WeakPolarHBondContact CB-SD 2.94Å
85L93.9Very high94.4Very high3 Ų343.2 Ų43.22%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-121.6143.1172.7-66.6178.1000109.5A82 F87 K208 T209 F412 L415 Y417A82-L85 HydrophobicContact CB-CD2 3.52Å; A82-L85 HydrophobicContact CB-CG 4.11Å; L85-F87 PolarHBondContact O-N 2.8Å; L85-K208 CarbonylContact O-C 3.55Å; L85-K208 VanDerWaalsContact O-CA 3.23Å; L85-K208 WeakPolarHBondContact O-CA 3.39Å; L85-K208 WeakPolarHBondContact O-CB 3.31Å; L85-T209 HydrophobicContact CB-CG2 4.15Å; L85-T209 PolarHBondContact N-O 2.89Å; L85-T209 PolarHBondContact O-N 2.98Å; L85-F412 HydrophobicContact CB-CE2 4.18Å; L85-F412 HydrophobicContact CB-CZ 4.38Å; L85-F412 HydrophobicContact CD1-CD1 4.2Å; L85-F412 HydrophobicContact CD1-CE1 4.33Å; L85-F412 HydrophobicContact CD1-CG 4.28Å; L85-L415 HydrophobicContact CD1-CD2 4.13Å; L85-L415 HydrophobicContact CG-CD2 4.25Å; L85-Y417 HydrophobicContact CD2-CD1 4.02Å
86T95.6Very high94.4Very high44 Ų4439.6 Ų39.627%0.2723%0.226SC..EExtended strand (participates in β ladder)trans-72126.5172-580000107.9R206T86-R206 HydrophobicContact CG2-CB 3.91Å
87F97.1Very high94.4Very high1 Ų136.4 Ų36.40%0.00421%0.212CC..PPolyproline II helixtrans-70.1140.2176.1-165.2-102.2000108.8L85 V90 F174 F197 N198 L207 L218 Q252 I410 F412L85-F87 PolarHBondContact O-N 2.8Å; F87-V90 HydrophobicContact CE1-CG2 4Å; F87-F174 HydrophobicContact CB-CE2 4.15Å; F87-F174 HydrophobicContact CB-CZ 4.07Å; F87-F174 AromaticContact CD1-CE2 3.77Å; F87-F174 HydrophobicContact CD1-CE2 3.77Å; F87-F174 HydrophobicContact CD1-CZ 4.46Å; F87-F174 AromaticContact CD2-CE2 3.88Å; F87-F174 HydrophobicContact CD2-CE2 3.88Å; F87-F174 HydrophobicContact CD2-CZ 4.48Å; F87-F174 HydrophobicContact CE1-CE2 4.11Å; F87-F174 HydrophobicContact CE2-CE2 4.21Å; F87-F174 AromaticContact CG-CE2 3.65Å; F87-F174 HydrophobicContact CG-CE2 3.65Å; F87-F174 HydrophobicContact CG-CZ 4.09Å; F87-F174 HydrophobicContact CZ-CE2 4.32Å; F87-F197 HydrophobicContact CD1-CD1 4.45Å; F87-F197 HydrophobicContact CD1-CE1 4.13Å; F87-F197 HydrophobicContact CE1-CD1 4.2Å; F87-F197 HydrophobicContact CE1-CE1 4.05Å; F87-N198 PolarHBondContact O-ND2 2.92Å; F87-L207 WeakPolarHBondContact CB-O 3.17Å; F87-L207 PolarHBondContact N-O 3.42Å; F87-L218 HydrophobicContact CE1-CB 3.93Å; F87-L218 HydrophobicContact CZ-CB 3.68Å; F87-Q252 PolarHBondContact O-NE2 3.46Å; F87-I410 HydrophobicContact CE2-CG2 4.42Å; F87-I410 HydrophobicContact CZ-CB 4.25Å; F87-I410 HydrophobicContact CZ-CG2 3.9Å; F87-I410 WeakPolarHBondContact CZ-O 3.35Å; F87-F412 HydrophobicContact CD2-CD2 4.4Å; F87-F412 HydrophobicContact CD2-CE2 4.05Å
88P97.4Very high94.5Very high1 Ų131.4 Ų31.41%0.00619%0.186CC..PPolyproline II helixtrans-66.4169.7-18025.7-34.6000112.6N198 I249 H250 Q252 Y372P88-N198 PolarHBondContact O-ND2 2.99Å; P88-I249 HydrophobicContact CB-CG2 3.53Å; P88-I249 HydrophobicContact CG-CG2 3.46Å; P88-I249 VanDerWaalsContact CG-CG2 3.46Å; P88-H250 WeakPolarHBondContact CB-O 3.28Å; P88-Q252 VanDerWaalsContact C-NE2 3.31Å; P88-Y372 HydrophobicContact CB-CD1 4.24Å; P88-Y372 HydrophobicContact CB-CD2 4.09Å; P88-Y372 HydrophobicContact CB-CE1 3.89Å; P88-Y372 HydrophobicContact CB-CE2 3.75Å; P88-Y372 HydrophobicContact CB-CG 4.33Å; P88-Y372 HydrophobicContact CG-CD1 4.33Å; P88-Y372 HydrophobicContact CG-CE1 4.21Å
89A98.1Very high94.7Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-78.213516100000108.7T196 F197 H250 Q252A89-T196 HydrophobicContact CB-CG2 3.96Å; A89-F197 WeakPolarHBondContact CA-O 3.33Å; A89-H250 PolarHBondContact N-O 2.91Å; A89-H250 PolarHBondContact O-N 2.93Å; A89-Q252 HydrophobicContact CB-CG 4.25Å
90V98.4Very high94.8Very high0 Ų024.2 Ų24.20%015%0.149CC..EExtended strand (participates in β ladder)trans-116.4107177.3179.60000107.8F87 T196 F197 L218 V247 I410F87-V90 HydrophobicContact CE1-CG2 4Å; V90-T196 CarbonylContact O-C 3.57Å; V90-T196 WeakPolarHBondContact O-CA 3.44Å; V90-F197 HydrophobicContact CB-CB 4.34Å; V90-F197 PolarHBondContact N-O 3.44Å; V90-F197 VanDerWaalsContact N-O 3.08Å; V90-F197 PolarHBondContact O-N 3.1Å; V90-L218 HydrophobicContact CB-CD2 4.32Å; V90-L218 HydrophobicContact CG1-CD2 4.43Å; V90-L218 HydrophobicContact CG2-CD2 4.24Å; V90-V247 HydrophobicContact CG1-CG1 3.85Å; V90-I410 HydrophobicContact CB-CD1 4.25Å; V90-I410 HydrophobicContact CG1-CD1 3.42Å; V90-I410 VanDerWaalsContact CG1-CD1 3.42Å; V90-I410 HydrophobicContact CG2-CD1 3.75Å; V90-I410 HydrophobicContact CG2-CG2 4.48Å
91T98.6Very high95Very high0 Ų024.5 Ų24.50%015%0.153CC..EExtended strand (participates in β ladder)trans-98130174.8-60.70000109.5V187 C194 Y195 T196 V247 Q248 H250 P256 I258T91-V187 HydrophobicContact CG2-CG1 3.88Å; T91-C194 HydrophobicContact CG2-CB 4.45Å; T91-Y195 CarbonylContact C-O 3.55Å; T91-Y195 WeakPolarHBondContact CA-O 3.26Å; T91-T196 WeakPolarHBondContact OG1-CB 3.33Å; T91-T196 WeakPolarHBondContact OG1-CG2 3.28Å; T91-T196 PolarHBondContact OG1-OG1 3.28Å; T91-V247 CarbonylContact O-C 3.57Å; T91-V247 WeakPolarHBondContact O-CA 3.39Å; T91-Q248 PolarHBondContact N-O 3.46Å; T91-Q248 PolarHBondContact O-N 2.9Å; T91-H250 PolarHBondContact OG1-NE2 3.11Å; T91-P256 HydrophobicContact CG2-CB 3.78Å; T91-P256 HydrophobicContact CG2-CG 4.14Å; T91-I258 HydrophobicContact CG2-CD1 4.34Å
92L98.2Very high95.2Very high1 Ų123.8 Ų23.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-130.7145.9177.265.891.1000111.2I165 F184 C194 Y195 I220 L222 K246 V247L92-I165 HydrophobicContact CD1-CD1 4.49Å; L92-F184 HydrophobicContact CD2-CE1 4.14Å; L92-C194 WeakPolarHBondContact O-CB 3.29Å; L92-Y195 PolarHBondContact N-O 2.77Å; L92-Y195 PolarHBondContact O-N 2.91Å; L92-I220 HydrophobicContact CD2-CD1 3.6Å; L92-L222 HydrophobicContact CD1-CD1 4.27Å; L92-L222 HydrophobicContact CD2-CD1 4.21Å; L92-K246 VanDerWaalsContact CA-O 3.31Å; L92-K246 WeakPolarHBondContact CA-O 3.23Å; L92-V247 HydrophobicContact CB-CG2 4.1Å
93C97.8Very high95.6Very high1 Ų122.9 Ų22.91%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-133.9142177-55.60000109.3Y191 C194 I245 K246 I258C93-Y191 HydrophobicContact CB-CD2 4.41Å; C93-C194 HydrophobicContact CB-CB 4.05Å; C93-C194 WeakPolarHBondContact CB-SG 3.08Å; C93-C194 WeakPolarHBondContact SG-CB 3.32Å; C93-C194 CovalentContact SG-SG 2.01Å; C93-C194 PolarHBondContact SG-SG 3.01Å; C93-I245 CarbonylContact O-C 3.6Å; C93-I245 VanDerWaalsContact O-CA 3.22Å; C93-I245 WeakPolarHBondContact O-CA 3.27Å; C93-I245 VanDerWaalsContact O-CB 3.26Å; C93-I245 WeakPolarHBondContact O-CB 3.27Å; C93-K246 PolarHBondContact N-O 3.43Å; C93-K246 PolarHBondContact O-N 2.65Å; C93-I258 HydrophobicContact CB-CD1 4.32Å
94N97.4Very high96Very high8 Ų820.4 Ų20.44%0.04311%0.109CC..EExtended strand (participates in β ladder)trans-67144.1161.5-160.2-31.1000108.7N96 H163 M168 I224 Y229 G244N94-N96 VanDerWaalsContact C-N 3.26Å; N94-N96 PolarHBondContact OD1-N 3.3Å; N94-N96 VanDerWaalsContact OD1-N 3.11Å; N94-H163 HydrophobicContact CB-CB 4.49Å; N94-H163 PolarHBondContact ND2-CD2 3.19Å; N94-H163 PolarHBondContact ND2-CE1 3.42Å; N94-H163 PolarHBondContact ND2-ND1 2.87Å; N94-H163 PolarHBondContact ND2-NE2 2.72Å; N94-M168 HydrophobicContact CB-CE 4.06Å; N94-M168 HydrophobicContact CB-SD 4.49Å; N94-I224 PolarHBondContact ND2-O 3.05Å; N94-Y229 PolarHBondContact OD1-OH 3.34Å; N94-G244 PolarHBondContact OD1-O 3.25Å
95L95.5Very high96.1Very high25 Ų2518.7 Ų18.713%0.13110%0.101CC..SBendtrans-70-27.6173.3-68.1173000111.7Y191 S240 E242 G244 K246L95-Y191 HydrophobicContact CD2-CE1 4.44Å; L95-S240 PolarHBondContact O-OG 3.47Å; L95-E242 HydrophobicContact CD1-CB 3.76Å; L95-G244 WeakPolarHBondContact CG-O 3.32Å; L95-G244 PolarHBondContact N-O 3.11Å; L95-K246 HydrophobicContact CD2-CB 4.08Å
96N94.9Very high96.3Very high12 Ų1219.5 Ų19.56%0.06411%0.105CC..SBendtrans-80.4122.9169-178.557.7000110.5N94 F98 H163 E228 Y229 L230N94-N96 VanDerWaalsContact C-N 3.26Å; N94-N96 PolarHBondContact OD1-N 3.3Å; N94-N96 VanDerWaalsContact OD1-N 3.11Å; N96-F98 PolarHBondContact ND2-O 3.06Å; N96-F98 PolarHBondContact OD1-O 2.9Å; N96-H163 PolarHBondContact ND2-NE2 2.9Å; N96-H163 PolarHBondContact O-CD2 3.21Å; N96-H163 VanDerWaalsContact O-CD2 3.26Å; N96-E228 PolarHBondContact ND2-O 3.49Å; N96-Y229 HydrophobicContact CB-CD1 3.46Å; N96-Y229 VanDerWaalsContact CB-CD1 3.46Å; N96-Y229 HydrophobicContact CB-CD2 3.79Å; N96-Y229 HydrophobicContact CB-CE1 3.44Å; N96-Y229 VanDerWaalsContact CB-CE1 3.44Å; N96-Y229 HydrophobicContact CB-CE2 3.74Å; N96-Y229 HydrophobicContact CB-CG 3.67Å; N96-L230 PolarHBondContact OD1-N 3.34Å
97E93.5Very high96.3Very high18 Ų1817.4 Ų17.48%0.0849%0.092CC..  trans-75.1-38.9-175.5-53.8-153.7160.900113G162 Y191E97-G162 WeakPolarHBondContact O-CA 3.4Å; E97-Y191 WeakPolarHBondContact OE1-CA 3.15Å
98F94.9Very high96.2Very high5 Ų517.4 Ų17.42%0.0229%0.092CC..SBendtrans-134.1135.7-171.9-48.5-74.9000112.3N96 F100 V103 L115 F157 Y158 A161 L230N96-F98 PolarHBondContact ND2-O 3.06Å; N96-F98 PolarHBondContact OD1-O 2.9Å; F98-F100 PolarHBondContact O-N 3.31Å; F98-V103 HydrophobicContact CB-CG2 4.49Å; F98-L115 HydrophobicContact CD2-CD2 3.45Å; F98-L115 VanDerWaalsContact CD2-CD2 3.45Å; F98-L115 HydrophobicContact CE2-CD2 3.35Å; F98-L115 HydrophobicContact CZ-CD2 4.36Å; F98-F157 HydrophobicContact CB-CZ 4.44Å; F98-F157 HydrophobicContact CD1-CD1 4.18Å; F98-F157 AromaticContact CD1-CE1 3.53Å; F98-F157 HydrophobicContact CD1-CE1 3.53Å; F98-F157 HydrophobicContact CD1-CE2 4.44Å; F98-F157 AromaticContact CD1-CZ 3.67Å; F98-F157 HydrophobicContact CD1-CZ 3.67Å; F98-F157 HydrophobicContact CD2-CE1 4.18Å; F98-F157 HydrophobicContact CD2-CZ 4.31Å; F98-F157 AromaticContact CE1-CD1 3.62Å; F98-F157 HydrophobicContact CE1-CD1 3.62Å; F98-F157 AromaticContact CE1-CE1 3.23Å; F98-F157 HydrophobicContact CE1-CE1 3.23Å; F98-F157 AromaticContact CE1-CZ 3.89Å; F98-F157 HydrophobicContact CE1-CZ 3.89Å; F98-F157 AromaticContact CE2-CE1 3.96Å; F98-F157 HydrophobicContact CE2-CE1 3.96Å; F98-F157 AromaticContact CG-CE1 3.98Å; F98-F157 HydrophobicContact CG-CE1 3.98Å; F98-F157 AromaticContact CG-CZ 3.87Å; F98-F157 HydrophobicContact CG-CZ 3.87Å; F98-F157 HydrophobicContact CZ-CD1 4.03Å; F98-F157 AromaticContact CZ-CE1 3.46Å; F98-F157 HydrophobicContact CZ-CE1 3.46Å; F98-F157 VanDerWaalsContact CZ-CE1 3.46Å; F98-F157 HydrophobicContact CZ-CZ 4.31Å; F98-Y158 AromaticContact CE1-CD1 3.5Å; F98-Y158 HydrophobicContact CE1-CD1 3.5Å; F98-Y158 VanDerWaalsContact CE1-CD1 3.5Å; F98-Y158 HydrophobicContact CE1-CD2 4.11Å; F98-Y158 AromaticContact CE1-CE1 3.65Å; F98-Y158 HydrophobicContact CE1-CE1 3.65Å; F98-Y158 HydrophobicContact CE1-CE2 4.24Å; F98-Y158 AromaticContact CE1-CG 3.77Å; F98-Y158 HydrophobicContact CE1-CG 3.77Å; F98-Y158 HydrophobicContact CE2-CE1 4.39Å; F98-Y158 AromaticContact CZ-CD1 3.76Å; F98-Y158 HydrophobicContact CZ-CD1 3.76Å; F98-Y158 HydrophobicContact CZ-CD2 4.25Å; F98-Y158 AromaticContact CZ-CE1 3.36Å; F98-Y158 HydrophobicContact CZ-CE1 3.36Å; F98-Y158 AromaticContact CZ-CE2 3.91Å; F98-Y158 HydrophobicContact CZ-CE2 3.91Å; F98-Y158 HydrophobicContact CZ-CG 4.21Å; F98-Y158 AromaticContact CZ-CZ 3.46Å; F98-Y158 VanDerWaalsContact CZ-CZ 3.46Å; F98-A161 HydrophobicContact CB-CB 4.27Å; F98-A161 HydrophobicContact CD1-CB 3.97Å; F98-L230 HydrophobicContact CB-CD1 4.22Å; F98-L230 HydrophobicContact CD2-CD1 4.14Å; F98-L230 WeakPolarHBondContact O-CG 3.41Å
99R95.6Very high96.1Very high25 Ų2520.6 Ų20.69%0.09411%0.105CC..  trans-74.7124174.5-67.4-176-69.8176.3-1.2111S101 Q102 V103 A161 G162 D167 E228R99-S101 VanDerWaalsContact C-N 3.26Å; R99-S101 PolarHBondContact O-N 2.85Å; R99-Q102 HydrophobicContact CB-CB 4.27Å; R99-Q102 HydrophobicContact CB-CG 3.99Å; R99-Q102 PolarHBondContact O-N 2.91Å; R99-V103 PolarHBondContact O-N 3.1Å; R99-A161 WeakPolarHBondContact CB-O 3.48Å; R99-A161 PolarHBondContact N-O 2.94Å; R99-G162 PolarHBondContact NE-O 2.92Å; R99-G162 PolarHBondContact NH2-O 3.17Å; R99-D167 IonicContact NH1-OD2 3.61Å; R99-D167 PolarHBondContact NH1-OD2 3.11Å; R99-E228 CarbonylContact C-O 3.54Å; R99-E228 WeakPolarHBondContact CA-O 3.25Å; R99-E228 HydrophobicContact CB-CB 4.1Å; R99-E228 HydrophobicContact CG-CB 4.01Å; R99-E228 HydrophobicContact CG-CG 4.46Å
100F94.1Very high96Very high14 Ų1422.6 Ų22.66%0.06111%0.114CC..THydrogen-bonded Turntrans-55.7-37.7-178.5-179-106.3000113.3F98 Q102 I137 L138 K141 E228 L230 P231F98-F100 PolarHBondContact O-N 3.31Å; F100-Q102 VanDerWaalsContact C-N 3.3Å; F100-Q102 PolarHBondContact O-N 3.15Å; F100-I137 HydrophobicContact CE1-CB 4.32Å; F100-I137 HydrophobicContact CE1-CG2 3.95Å; F100-I137 HydrophobicContact CZ-CB 4.43Å; F100-I137 HydrophobicContact CZ-CG2 4.15Å; F100-L138 HydrophobicContact CE2-CD1 4.39Å; F100-K141 PolarHBondContact O-NZ 2.78Å; F100-E228 PolarHBondContact N-O 3.16Å; F100-L230 HydrophobicContact CB-CD2 4.13Å; F100-L230 HydrophobicContact CD2-CD2 4.09Å; F100-P231 HydrophobicContact CD2-CG 4.33Å; F100-P231 HydrophobicContact CE2-CG 4.07Å
101S94.7Very high95.7Very high57 Ų5722.6 Ų22.640%0.39911%0.114SC..THydrogen-bonded Turntrans-64.9-33.4177.963.80000112.9R99 K141 E228R99-S101 VanDerWaalsContact C-N 3.26Å; R99-S101 PolarHBondContact O-N 2.85Å; S101-K141 PolarHBondContact O-NZ 3.08Å; S101-E228 WeakPolarHBondContact CB-OE1 3.34Å; S101-E228 WeakPolarHBondContact CB-OE2 3.48Å; S101-E228 PolarHBondContact N-OE2 3.19Å; S101-E228 PolarHBondContact OG-OE1 2.64Å; S101-E228 VanDerWaalsContact OG-OE1 3.14Å; S101-E228 PolarHBondContact OG-OE2 3.25Å
102Q96.1Very high95.5Very high76 Ų7622.7 Ų22.736%0.35511%0.114SC..THydrogen-bonded Turntrans-84.5-16.4-174.2-61.9-59.1-35.800113.9R99 F100 S104 R160 A161R99-Q102 HydrophobicContact CB-CB 4.27Å; R99-Q102 HydrophobicContact CB-CG 3.99Å; R99-Q102 PolarHBondContact O-N 2.91Å; F100-Q102 VanDerWaalsContact C-N 3.3Å; F100-Q102 PolarHBondContact O-N 3.15Å; Q102-S104 PolarHBondContact O-N 3.04Å; Q102-R160 PolarHBondContact O-NH1 2.82Å; Q102-A161 HydrophobicContact CB-CB 4.17Å
103V95.6Very high95.1Very high3 Ų325.3 Ų25.32%0.01813%0.127CC..  trans-67.5112.4174.9-1790000109.5F98 R99 D107 L108 K141 F157 L230F98-V103 HydrophobicContact CB-CG2 4.49Å; R99-V103 PolarHBondContact O-N 3.1Å; V103-D107 HydrophobicContact CG1-CB 4.15Å; V103-L108 HydrophobicContact CG1-CB 4.42Å; V103-K141 WeakPolarHBondContact O-CE 3.45Å; V103-K141 PolarHBondContact O-NZ 3.06Å; V103-F157 HydrophobicContact CG2-CE2 4.41Å; V103-F157 HydrophobicContact CG2-CZ 4.46Å; V103-L230 HydrophobicContact CG2-CD2 4.11Å
104S96.1Very high94.7Very high40 Ų4026.3 Ų26.328%0.2813%0.132SC..  trans-85.1168.5179.378.60000112.2Q102 N106 D107 L108Q102-S104 PolarHBondContact O-N 3.04Å; S104-N106 PolarHBondContact O-N 3.31Å; S104-N106 PolarHBondContact OG-N 3.38Å; S104-D107 WeakPolarHBondContact CA-OD2 3.43Å; S104-D107 WeakPolarHBondContact CB-OD2 2.97Å; S104-D107 PolarHBondContact N-OD2 3.23Å; S104-D107 PolarHBondContact O-N 3.21Å; S104-D107 VanDerWaalsContact O-N 3.14Å; S104-D107 PolarHBondContact OG-N 3.14Å; S104-D107 PolarHBondContact OG-OD1 3.15Å; S104-D107 PolarHBondContact OG-OD2 2.95Å; S104-L108 PolarHBondContact O-N 3.24Å
105K95.9Very high94.3Very high59 Ų5926.4 Ų26.426%0.25713%0.133SC..Hα-helixtrans-57.5-33.4171.1175.8166.7-64.8-166.20112.8Y109 D140 K141 N143 F144 F147K105-Y109 WeakPolarHBondContact O-CB 3.16Å; K105-Y109 PolarHBondContact O-N 3.19Å; K105-Y109 VanDerWaalsContact O-N 3.13Å; K105-D140 WeakPolarHBondContact CE-O 3.45Å; K105-D140 PolarHBondContact NZ-O 3.26Å; K105-K141 WeakPolarHBondContact CE-O 3.35Å; K105-K141 WeakPolarHBondContact CG-O 3.2Å; K105-N143 PolarHBondContact NZ-O 3.49Å; K105-N143 VanDerWaalsContact NZ-O 3.08Å; K105-F144 HydrophobicContact CG-CD1 4.36Å; K105-F144 HydrophobicContact CG-CE1 4.09Å; K105-F147 HydrophobicContact CB-CE2 4.46Å; K105-F147 HydrophobicContact CD-CD2 3.66Å; K105-F147 HydrophobicContact CD-CE2 4.01Å; K105-F147 HydrophobicContact CD-CG 4.26Å; K105-F147 HydrophobicContact CG-CD2 3.83Å; K105-F147 HydrophobicContact CG-CE2 3.75Å; K105-F147 HydrophobicContact CG-CG 4.33Å; K105-F147 HydrophobicContact CG-CZ 4.17Å
106N96.4Very high94Very high19 Ų1926.2 Ų26.210%0.10213%0.134CC..Hα-helixtrans-71.1-41.2176.3-168.869.6000111.3S104 Y109 H110 F147 K150S104-N106 PolarHBondContact O-N 3.31Å; S104-N106 PolarHBondContact OG-N 3.38Å; N106-Y109 WeakPolarHBondContact O-CB 3.31Å; N106-Y109 PolarHBondContact O-N 2.87Å; N106-H110 PolarHBondContact O-CD2 3.4Å; N106-H110 PolarHBondContact O-N 3.08Å; N106-F147 HydrophobicContact CB-CZ 3.92Å; N106-K150 PolarHBondContact OD1-N 2.8Å; N106-K150 PolarHBondContact OD1-O 3.49Å
107D96.3Very high93.7Very high1 Ų126 Ų261%0.00513%0.133CC..Hα-helixtrans-65.4-44179.7-51.7-35.9000110.1V103 S104 Y109 H110 A111 F152 F157 R160V103-D107 HydrophobicContact CG1-CB 4.15Å; S104-D107 WeakPolarHBondContact CA-OD2 3.43Å; S104-D107 WeakPolarHBondContact CB-OD2 2.97Å; S104-D107 PolarHBondContact N-OD2 3.23Å; S104-D107 PolarHBondContact O-N 3.21Å; S104-D107 VanDerWaalsContact O-N 3.14Å; S104-D107 PolarHBondContact OG-N 3.14Å; S104-D107 PolarHBondContact OG-OD1 3.15Å; S104-D107 PolarHBondContact OG-OD2 2.95Å; D107-Y109 VanDerWaalsContact C-N 3.26Å; D107-Y109 PolarHBondContact O-N 3.3Å; D107-H110 PolarHBondContact O-N 3.29Å; D107-A111 PolarHBondContact O-N 3.13Å; D107-F152 HydrophobicContact CB-CE2 4.31Å; D107-F157 HydrophobicContact CB-CD2 3.85Å; D107-F157 HydrophobicContact CB-CE2 3.67Å; D107-R160 VanDerWaalsContact CG-NH2 3.35Å; D107-R160 IonicContact OD1-CZ 3.9Å; D107-R160 IonicContact OD1-NH2 2.73Å; D107-R160 PolarHBondContact OD1-NH2 3.43Å; D107-R160 IonicContact OD2-CZ 3.75Å; D107-R160 IonicContact OD2-NH1 2.75Å; D107-R160 PolarHBondContact OD2-NH1 2.82Å; D107-R160 IonicContact OD2-NH2 3.4Å; D107-R160 PolarHBondContact OD2-NH2 2.83Å; D107-R160 VanDerWaalsContact OD2-NH2 3.08Å
108L94.9Very high93.5Very high1 Ų125.4 Ų25.41%0.00513%0.13CC..Hα-helixtrans-63.6-31.7176.1-167.967.1000112.5V103 S104 G112 L117 L118 L138 K141 A142 F144V103-L108 HydrophobicContact CG1-CB 4.42Å; S104-L108 PolarHBondContact O-N 3.24Å; L108-G112 WeakPolarHBondContact O-CA 3.28Å; L108-G112 PolarHBondContact O-N 2.99Å; L108-L117 HydrophobicContact CD1-CB 3.82Å; L108-L117 HydrophobicContact CD1-CD1 3.82Å; L108-L118 HydrophobicContact CD1-CD1 4.32Å; L108-L118 HydrophobicContact CD1-CG 4.16Å; L108-L118 HydrophobicContact CG-CD1 3.91Å; L108-L118 HydrophobicContact CG-CG 4.23Å; L108-L118 WeakPolarHBondContact O-CD1 3.46Å; L108-L138 HydrophobicContact CD1-CD1 4.3Å; L108-L138 HydrophobicContact CD2-CD1 3.9Å; L108-K141 HydrophobicContact CD2-CB 3.9Å; L108-A142 HydrophobicContact CD2-CB 3.91Å; L108-F144 HydrophobicContact CD2-CZ 4.42Å; L108-F144 HydrophobicContact CG-CZ 4.36Å
109Y95.2Very high93.3Very high67 Ų6727.4 Ų27.426%0.26314%0.142SC..Hα-helixtrans-66.7-40.8175.3-179-95.7000112.5K105 N106 D107 Y122 F144 F147 P149K105-Y109 WeakPolarHBondContact O-CB 3.16Å; K105-Y109 PolarHBondContact O-N 3.19Å; K105-Y109 VanDerWaalsContact O-N 3.13Å; N106-Y109 WeakPolarHBondContact O-CB 3.31Å; N106-Y109 PolarHBondContact O-N 2.87Å; D107-Y109 VanDerWaalsContact C-N 3.26Å; D107-Y109 PolarHBondContact O-N 3.3Å; Y109-Y122 HydrophobicContact CE2-CE1 4.46Å; Y109-Y122 WeakPolarHBondContact O-CE1 3.36Å; Y109-F144 AromaticContact CD2-CD1 3.83Å; Y109-F144 HydrophobicContact CD2-CD1 3.83Å; Y109-F144 HydrophobicContact CD2-CE1 4.01Å; Y109-F144 HydrophobicContact CD2-CG 4.1Å; Y109-F144 HydrophobicContact CD2-CZ 4.42Å; Y109-F144 HydrophobicContact CG-CE1 4.4Å; Y109-F147 HydrophobicContact CD1-CE1 4.41Å; Y109-F147 HydrophobicContact CD2-CD1 4.11Å; Y109-F147 HydrophobicContact CD2-CE1 4.37Å; Y109-F147 HydrophobicContact CG-CD1 4.16Å; Y109-F147 AromaticContact CG-CE1 3.95Å; Y109-F147 HydrophobicContact CG-CE1 3.95Å; Y109-P149 HydrophobicContact CD1-CB 3.92Å; Y109-P149 HydrophobicContact CD1-CG 3.85Å; Y109-P149 HydrophobicContact CE1-CB 3.69Å; Y109-P149 HydrophobicContact CE1-CG 3.3Å; Y109-P149 HydrophobicContact CE2-CG 4.28Å
110H95.1Very high92.9Very high43 Ų4331.9 Ų31.920%0.19917%0.167CC..Hα-helixtrans-90-42.3-176.2-67.7-76.1000113.2N106 D107 K150 F152 P339N106-H110 PolarHBondContact O-CD2 3.4Å; N106-H110 PolarHBondContact O-N 3.08Å; D107-H110 PolarHBondContact O-N 3.29Å; H110-K150 PolarHBondContact NE2-O 3.41Å; H110-F152 HydrophobicContact CB-CB 4.13Å; H110-F152 HydrophobicContact CB-CD1 3.84Å; H110-F152 HydrophobicContact CB-CD2 4.08Å; H110-F152 HydrophobicContact CB-CE1 4.27Å; H110-F152 HydrophobicContact CB-CE2 4.48Å; H110-F152 HydrophobicContact CB-CG 3.74Å; H110-F152 WeakPolarHBondContact CD2-CB 3.49Å; H110-F152 AromaticContact CD2-CG 3.79Å; H110-F152 AromaticContact CG-CG 3.84Å; H110-P339 HydrophobicContact CB-CG 4.4Å; H110-P339 VanDerWaalsContact O-CB 3.28Å; H110-P339 WeakPolarHBondContact O-CB 3.02Å; H110-P339 WeakPolarHBondContact O-CG 3.46Å
111A94.1Very high92.7Very high0 Ų040.4 Ų40.40%020%0.199CC..Hα-helixtrans-110.32.9-173.500000113.4D107 E113 L114 L115 F152 P339D107-A111 PolarHBondContact O-N 3.13Å; A111-E113 VanDerWaalsContact C-N 3.27Å; A111-E113 PolarHBondContact O-N 3.2Å; A111-L114 WeakPolarHBondContact O-CB 3.39Å; A111-L114 PolarHBondContact O-N 3.17Å; A111-L114 VanDerWaalsContact O-N 3.11Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 2.64Å; A111-F152 HydrophobicContact CB-CZ 4.05Å; A111-P339 HydrophobicContact CB-CB 4.42Å; A111-P339 HydrophobicContact CB-CG 4.1Å
112G92.6Very high92.5Very high1 Ų142.4 Ų42.41%0.0120%0.198CC..THydrogen-bonded Turntrans-61.7-33.1-175.700000114.3L108 A116 L117 L118L108-G112 WeakPolarHBondContact O-CA 3.28Å; L108-G112 PolarHBondContact O-N 2.99Å; G112-A116 PolarHBondContact O-N 3.37Å; G112-L117 PolarHBondContact O-N 3.19Å; G112-L118 PolarHBondContact O-N 3.08Å
113E90Very high92.2Very high57 Ų5744 Ų4427%0.26621%0.206SC..THydrogen-bonded Turntrans-72.6-38.4174.2-173.3176166.200112.3A111 L115 A116 L118 N120 K343A111-E113 VanDerWaalsContact C-N 3.27Å; A111-E113 PolarHBondContact O-N 3.2Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-A116 PolarHBondContact O-N 3.48Å; E113-L118 WeakPolarHBondContact CA-O 3.22Å; E113-N120 PolarHBondContact OE1-OD1 3.36Å; E113-N120 VanDerWaalsContact OE1-OD1 3.04Å; E113-K343 IonicContact OE1-NZ 2.91Å; E113-K343 PolarHBondContact OE1-NZ 2.97Å
114L89.4Confident91.8Very high22 Ų2245.4 Ų45.412%0.11521%0.213CC..THydrogen-bonded Turntrans-62.9-40.9175.2179.965.6000111.2A111 A116 M154 P339 Y342A111-L114 WeakPolarHBondContact O-CB 3.39Å; A111-L114 PolarHBondContact O-N 3.17Å; A111-L114 VanDerWaalsContact O-N 3.11Å; L114-A116 PolarHBondContact O-N 2.82Å; L114-M154 HydrophobicContact CD2-CE 3.54Å; L114-P339 HydrophobicContact CD2-CB 4.39Å; L114-Y342 HydrophobicContact CD2-CG 4.48Å
115L89.6Confident91.2Very high10 Ų1045.5 Ų45.55%0.05221%0.213CC..THydrogen-bonded Turntrans-77.95.2178.4-61175.6000114F98 A111 E113 L117 F157 L230F98-L115 HydrophobicContact CD2-CD2 3.45Å; F98-L115 VanDerWaalsContact CD2-CD2 3.45Å; F98-L115 HydrophobicContact CE2-CD2 3.35Å; F98-L115 HydrophobicContact CZ-CD2 4.36Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.46Å; A111-L115 PolarHBondContact O-N 2.64Å; E113-L115 VanDerWaalsContact C-N 3.33Å; L115-L117 HydrophobicContact CB-CD1 4.2Å; L115-L117 HydrophobicContact CB-CG 4.06Å; L115-L117 HydrophobicContact CD1-CD1 4.34Å; L115-L117 PolarHBondContact O-N 2.84Å; L115-F157 HydrophobicContact CD1-CE1 4.4Å; L115-F157 HydrophobicContact CD1-CZ 3.98Å; L115-L230 HydrophobicContact CD1-CD1 4.47Å; L115-L230 HydrophobicContact CD2-CD1 4.14Å
116A88.4Confident89.9Confident20 Ų2047.4 Ų47.417%0.16523%0.225CC..THydrogen-bonded Turntrans57.515.1-174.400000115.5G112 E113 L114 T236 T239G112-A116 PolarHBondContact O-N 3.37Å; E113-A116 PolarHBondContact O-N 3.48Å; L114-A116 PolarHBondContact O-N 2.82Å; A116-T236 HydrophobicContact CB-CG2 3.49Å; A116-T236 VanDerWaalsContact CB-CG2 3.49Å; A116-T239 HydrophobicContact CB-CG2 4Å
117L88.9Confident88.5Confident7 Ų749.7 Ų49.74%0.03724%0.241CC..SBendtrans-85.8-22.5179.7-66178.8000112.5L108 G112 L115 P125 L230 P231L108-L117 HydrophobicContact CD1-CB 3.82Å; L108-L117 HydrophobicContact CD1-CD1 3.82Å; G112-L117 PolarHBondContact O-N 3.19Å; L115-L117 HydrophobicContact CB-CD1 4.2Å; L115-L117 HydrophobicContact CB-CG 4.06Å; L115-L117 HydrophobicContact CD1-CD1 4.34Å; L115-L117 PolarHBondContact O-N 2.84Å; L117-P125 VanDerWaalsContact O-CD 3.25Å; L117-P125 WeakPolarHBondContact O-CD 3.19Å; L117-L230 HydrophobicContact CD1-CD2 4.46Å; L117-P231 HydrophobicContact CD2-CG 3.98Å
118L90.6Very high87.2Confident6 Ų657.9 Ų57.93%0.03128%0.279CS..SBendtrans-129.6153176.2-62.3-178.7000110.6L108 G112 E113 Y122 E123 I124 A142 F144L108-L118 HydrophobicContact CD1-CD1 4.32Å; L108-L118 HydrophobicContact CD1-CG 4.16Å; L108-L118 HydrophobicContact CG-CD1 3.91Å; L108-L118 HydrophobicContact CG-CG 4.23Å; L108-L118 WeakPolarHBondContact O-CD1 3.46Å; G112-L118 PolarHBondContact O-N 3.08Å; E113-L118 WeakPolarHBondContact CA-O 3.22Å; L118-Y122 HydrophobicContact CD1-CD1 4.43Å; L118-E123 WeakPolarHBondContact CA-O 3.37Å; L118-I124 HydrophobicContact CD2-CG1 3.84Å; L118-A142 HydrophobicContact CD2-CB 4.06Å; L118-F144 HydrophobicContact CD1-CE2 3.72Å; L118-F144 HydrophobicContact CD1-CZ 3.91Å
119N89.1Confident85.8Confident48 Ų4865 Ų6526%0.25731%0.314SS..  trans-85.5177.2167.86918.1000111.6R121 Y122 E123N119-R121 PolarHBondContact O-N 2.73Å; N119-R121 WeakPolarHBondContact OD1-CA 3.48Å; N119-R121 WeakPolarHBondContact OD1-CB 3.26Å; N119-R121 PolarHBondContact OD1-N 2.77Å; N119-Y122 PolarHBondContact O-N 3.46Å; N119-Y122 PolarHBondContact OD1-N 3.37Å; N119-E123 VanDerWaalsContact CG-O 3.28Å; N119-E123 PolarHBondContact N-O 2.94Å; N119-E123 PolarHBondContact OD1-N 3.26Å; N119-E123 PolarHBondContact OD1-O 3.46Å
120N87.4Confident84.7Confident118 Ų11862.8 Ų62.863%0.63131%0.309SS*.THydrogen-bonded Turntrans-62.8-5.4179-45.426.7000114.2E113E113-N120 PolarHBondContact OE1-OD1 3.36Å; E113-N120 VanDerWaalsContact OE1-OD1 3.04Å
121R90.4Very high84Confident194 Ų19465 Ų6573%0.73232%0.323SS*.THydrogen-bonded Turntrans-1048.3174.9-59.8-177.3-177.7175.82.3112.5N119 E123N119-R121 PolarHBondContact O-N 2.73Å; N119-R121 WeakPolarHBondContact OD1-CA 3.48Å; N119-R121 WeakPolarHBondContact OD1-CB 3.26Å; N119-R121 PolarHBondContact OD1-N 2.77Å; R121-E123 HydrophobicContact CB-CG 4.31Å; R121-E123 PolarHBondContact O-N 3.22Å
122Y90.3Very high83.6Confident98 Ų9873.2 Ų73.238%0.38436%0.361SS..SBendtrans60.831.8-175.1-54.6-88.3000113.2Y109 L118 N119Y109-Y122 HydrophobicContact CE2-CE1 4.46Å; Y109-Y122 WeakPolarHBondContact O-CE1 3.36Å; L118-Y122 HydrophobicContact CD1-CD1 4.43Å; N119-Y122 PolarHBondContact O-N 3.46Å; N119-Y122 PolarHBondContact OD1-N 3.37Å
123E89.6Confident83.3Confident111 Ų11180.2 Ų80.252%0.51939%0.391SS..  trans-111.8148.1176.4-62.2172.1172.500109.8L118 N119 R121 P125L118-E123 WeakPolarHBondContact CA-O 3.37Å; N119-E123 VanDerWaalsContact CG-O 3.28Å; N119-E123 PolarHBondContact N-O 2.94Å; N119-E123 PolarHBondContact OD1-N 3.26Å; N119-E123 PolarHBondContact OD1-O 3.46Å; R121-E123 HydrophobicContact CB-CG 4.31Å; R121-E123 PolarHBondContact O-N 3.22Å; E123-P125 WeakPolarHBondContact O-CD 3.35Å
124I88.1Confident83.1Confident31 Ų3180.1 Ų80.116%0.15939%0.39CS..  trans-70.6122177.8-61170.6000108.5L118 T127 L135 L138 Q139 A142 W233L118-I124 HydrophobicContact CD2-CG1 3.84Å; I124-T127 HydrophobicContact CG2-CG2 4.33Å; I124-L135 HydrophobicContact CG2-CD1 4.47Å; I124-L138 HydrophobicContact CD1-CB 4.3Å; I124-L138 HydrophobicContact CD1-CD2 4.01Å; I124-L138 HydrophobicContact CD1-CG 3.78Å; I124-L138 HydrophobicContact CG1-CD2 4.19Å; I124-L138 HydrophobicContact CG1-CG 4.25Å; I124-L138 HydrophobicContact CG2-CD2 4.01Å; I124-Q139 HydrophobicContact CD1-CB 4.49Å; I124-Q139 HydrophobicContact CD1-CG 3.88Å; I124-A142 HydrophobicContact CD1-CB 3.85Å; I124-A142 HydrophobicContact CG1-CB 3.91Å; I124-W233 HydrophobicContact CG2-CE3 4.13Å; I124-W233 HydrophobicContact CG2-CH2 3.81Å; I124-W233 HydrophobicContact CG2-CZ3 3.23Å
125P82.5Confident83Confident42 Ų4280.1 Ų80.127%0.27339%0.391SS..  trans-69.2155174.929.2-31.3000111L117 E123 T127 W233L117-P125 VanDerWaalsContact O-CD 3.25Å; L117-P125 WeakPolarHBondContact O-CD 3.19Å; E123-P125 WeakPolarHBondContact O-CD 3.35Å; P125-T127 PolarHBondContact O-N 2.75Å; P125-W233 WeakPolarHBondContact O-CZ3 3.2Å
126D69.1Low83Confident99 Ų9986.3 Ų86.353%0.52942%0.419SS..  trans17.687.4173.8-153.7-6.5000118.3Q128D126-Q128 PolarHBondContact O-N 3.31Å; D126-Q128 VanDerWaalsContact O-N 3.13Å
127T67.4Low83.2Confident68 Ų6888.6 Ų88.642%0.41743%0.428SS..THydrogen-bonded Turntrans-74.50.6-174.660.50000115I124 P125 L135I124-T127 HydrophobicContact CG2-CG2 4.33Å; P125-T127 PolarHBondContact O-N 2.75Å; T127-L135 HydrophobicContact CG2-CD1 4.06Å
128Q67.4Low83.2Confident173 Ų17388.4 Ų88.481%0.80843%0.427SS*.THydrogen-bonded Turntrans-83.4-17.6-170.8-61.8-164.812.300114.3D126D126-Q128 PolarHBondContact O-N 3.31Å; D126-Q128 VanDerWaalsContact O-N 3.13Å
129M67.6Low83.3Confident151 Ų15193 Ų9374%0.74445%0.448SS*.SBendtrans-102.41.5-174.7-56.1-169.9100.700113.7
130A71.5Confident83.4Confident19 Ų1996 Ų9616%0.15746%0.464CS..SBendtrans-91.7145.1-176.400000112.4E132 L135 W233A130-E132 PolarHBondContact O-N 2.9Å; A130-L135 HydrophobicContact CB-CB 4Å; A130-L135 HydrophobicContact CB-CD1 4.3Å; A130-W233 HydrophobicContact CB-CD2 4.29Å; A130-W233 HydrophobicContact CB-CE3 4.48Å; A130-W233 HydrophobicContact CB-CH2 3.47Å; A130-W233 VanDerWaalsContact CB-CH2 3.47Å; A130-W233 HydrophobicContact CB-CZ2 3.17Å; A130-W233 HydrophobicContact CB-CZ3 4.06Å
131D80.9Confident83.7Confident91 Ų9191.9 Ų91.949%0.48744%0.441SS..  trans-59.4135.5164.6177.455.3000110.2K133 Q134 L135D131-K133 PolarHBondContact O-N 2.81Å; D131-K133 VanDerWaalsContact O-N 3.17Å; D131-K133 WeakPolarHBondContact OD2-CB 3.24Å; D131-K133 PolarHBondContact OD2-N 2.95Å; D131-Q134 HydrophobicContact CB-CB 4.35Å; D131-Q134 HydrophobicContact CB-CG 4.35Å; D131-Q134 PolarHBondContact O-N 3.36Å; D131-L135 WeakPolarHBondContact O-CB 3.34Å; D131-L135 PolarHBondContact O-N 2.8Å
132E84.3Confident83.8Confident171 Ų17183.3 Ų83.380%0.79941%0.412SS*.Hα-helixtrans-56.6-38.5-173.3-69.7-177.1171.200111.8A130 E136A130-E132 PolarHBondContact O-N 2.9Å; E132-E136 PolarHBondContact O-N 3.38Å
133K86.4Confident84Confident148 Ų14882.4 Ų82.464%0.64341%0.413SS*.Hα-helixtrans-74-41.9-177.7-171.3-176.9177.4-171.40112.1D131 L135 E136 I137D131-K133 PolarHBondContact O-N 2.81Å; D131-K133 VanDerWaalsContact O-N 3.17Å; D131-K133 WeakPolarHBondContact OD2-CB 3.24Å; D131-K133 PolarHBondContact OD2-N 2.95Å; K133-L135 VanDerWaalsContact C-N 3.31Å; K133-E136 PolarHBondContact O-N 2.86Å; K133-I137 WeakPolarHBondContact O-CG1 3.33Å; K133-I137 PolarHBondContact O-N 3.45Å
134Q85.6Confident84.2Confident55 Ų5578.9 Ų78.926%0.25740%0.396SS..Hα-helixtrans-65.6-38.6175.3-70-175-52.300111.2D131 I137 L138D131-Q134 HydrophobicContact CB-CB 4.35Å; D131-Q134 HydrophobicContact CB-CG 4.35Å; D131-Q134 PolarHBondContact O-N 3.36Å; Q134-I137 PolarHBondContact O-N 2.94Å; Q134-L138 WeakPolarHBondContact O-CB 3.39Å; Q134-L138 PolarHBondContact O-N 2.85Å
135L87.9Confident84.3Confident23 Ų2388.3 Ų88.312%0.1243%0.43CS..Hα-helixtrans-63.2-42.8176.7-177.764.6000112I124 T127 A130 D131 K133 I137 L138 Q139 W233I124-L135 HydrophobicContact CG2-CD1 4.47Å; T127-L135 HydrophobicContact CG2-CD1 4.06Å; A130-L135 HydrophobicContact CB-CB 4Å; A130-L135 HydrophobicContact CB-CD1 4.3Å; D131-L135 WeakPolarHBondContact O-CB 3.34Å; D131-L135 PolarHBondContact O-N 2.8Å; K133-L135 VanDerWaalsContact C-N 3.31Å; L135-I137 VanDerWaalsContact C-N 3.35Å; L135-I137 PolarHBondContact O-N 3.23Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-Q139 HydrophobicContact CD1-CG 4.36Å; L135-Q139 HydrophobicContact CG-CG 4.43Å; L135-Q139 WeakPolarHBondContact O-CB 3.42Å; L135-Q139 VanDerWaalsContact O-CG 3.27Å; L135-Q139 WeakPolarHBondContact O-CG 3.29Å; L135-Q139 PolarHBondContact O-N 3.36Å; L135-W233 HydrophobicContact CD1-CH2 3.54Å; L135-W233 HydrophobicContact CD1-CZ3 3.98Å
136E90.2Very high84.8Confident139 Ų13992.1 Ų92.165%0.6546%0.458SS*.Hα-helixtrans-59.5-44.8176.6-173.7179.9-168.600111.7E132 K133 L138 Q139 D140E132-E136 PolarHBondContact O-N 3.38Å; K133-E136 PolarHBondContact O-N 2.86Å; E136-L138 PolarHBondContact O-N 3.22Å; E136-Q139 PolarHBondContact O-N 3.22Å; E136-D140 PolarHBondContact O-N 3.07Å; E136-D140 VanDerWaalsContact O-N 3.17Å
137I91.3Very high86Confident69 Ų6990 Ų9035%0.35444%0.443SS..Hα-helixtrans-63-43.8176.6-64.1166.1000110.5F100 K133 Q134 L135 D140 K141F100-I137 HydrophobicContact CE1-CB 4.32Å; F100-I137 HydrophobicContact CE1-CG2 3.95Å; F100-I137 HydrophobicContact CZ-CB 4.43Å; F100-I137 HydrophobicContact CZ-CG2 4.15Å; K133-I137 WeakPolarHBondContact O-CG1 3.33Å; K133-I137 PolarHBondContact O-N 3.45Å; Q134-I137 PolarHBondContact O-N 2.94Å; L135-I137 VanDerWaalsContact C-N 3.35Å; L135-I137 PolarHBondContact O-N 3.23Å; I137-D140 PolarHBondContact O-N 3.39Å; I137-K141 HydrophobicContact CG2-CD 4.24Å; I137-K141 WeakPolarHBondContact O-CG 3.32Å; I137-K141 PolarHBondContact O-N 2.76Å; I137-K141 VanDerWaalsContact O-N 3.07Å
138L90.5Very high87.2Confident3 Ų395.5 Ų95.52%0.01646%0.462CS..Hα-helixtrans-65.9-40-180-17164.3000111.6F100 L108 I124 Q134 L135 E136 D140 K141 A142 W233F100-L138 HydrophobicContact CE2-CD1 4.39Å; L108-L138 HydrophobicContact CD1-CD1 4.3Å; L108-L138 HydrophobicContact CD2-CD1 3.9Å; I124-L138 HydrophobicContact CD1-CB 4.3Å; I124-L138 HydrophobicContact CD1-CD2 4.01Å; I124-L138 HydrophobicContact CD1-CG 3.78Å; I124-L138 HydrophobicContact CG1-CD2 4.19Å; I124-L138 HydrophobicContact CG1-CG 4.25Å; I124-L138 HydrophobicContact CG2-CD2 4.01Å; Q134-L138 WeakPolarHBondContact O-CB 3.39Å; Q134-L138 PolarHBondContact O-N 2.85Å; L135-L138 PolarHBondContact O-N 2.84Å; E136-L138 PolarHBondContact O-N 3.22Å; L138-D140 VanDerWaalsContact C-N 3.34Å; L138-D140 PolarHBondContact O-N 3.21Å; L138-K141 CarbonylContact O-C 3.54Å; L138-K141 PolarHBondContact O-N 2.99Å; L138-A142 VanDerWaalsContact O-CB 3.23Å; L138-A142 WeakPolarHBondContact O-CB 3.21Å; L138-A142 PolarHBondContact O-N 2.83Å; L138-W233 HydrophobicContact CD2-CH2 3.63Å; L138-W233 HydrophobicContact CD2-CZ2 4.09Å; L138-W233 HydrophobicContact CD2-CZ3 4.4Å
139Q91.3Very high88.5Confident103 Ų10390.3 Ų90.348%0.48144%0.443SS..Hα-helixtrans-61.1-40.6176.3-75.8175.93.900112.3I124 L135 E136 A142 N143I124-Q139 HydrophobicContact CD1-CB 4.49Å; I124-Q139 HydrophobicContact CD1-CG 3.88Å; L135-Q139 HydrophobicContact CD1-CG 4.36Å; L135-Q139 HydrophobicContact CG-CG 4.43Å; L135-Q139 WeakPolarHBondContact O-CB 3.42Å; L135-Q139 VanDerWaalsContact O-CG 3.27Å; L135-Q139 WeakPolarHBondContact O-CG 3.29Å; L135-Q139 PolarHBondContact O-N 3.36Å; E136-Q139 PolarHBondContact O-N 3.22Å; Q139-A142 PolarHBondContact O-N 2.88Å; Q139-N143 PolarHBondContact O-N 3.36Å
140D92.4Very high89.8Confident110 Ų11089.9 Ų89.959%0.58844%0.437SS*.Hα-helixtrans-65.4-44174.4-17960.1000111.7K105 E136 I137 L138 A142 N143K105-D140 WeakPolarHBondContact CE-O 3.45Å; K105-D140 PolarHBondContact NZ-O 3.26Å; E136-D140 PolarHBondContact O-N 3.07Å; E136-D140 VanDerWaalsContact O-N 3.17Å; I137-D140 PolarHBondContact O-N 3.39Å; L138-D140 VanDerWaalsContact C-N 3.34Å; L138-D140 PolarHBondContact O-N 3.21Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.9Å; D140-N143 PolarHBondContact O-N 3.36Å
141K93.4Very high91Very high31 Ų3195.4 Ų95.414%0.13547%0.471CS..Hα-helixtrans-65-34.1176.7-70.8-177-179.5-167.80112.6F100 S101 V103 K105 L108 I137 L138F100-K141 PolarHBondContact O-NZ 2.78Å; S101-K141 PolarHBondContact O-NZ 3.08Å; V103-K141 WeakPolarHBondContact O-CE 3.45Å; V103-K141 PolarHBondContact O-NZ 3.06Å; K105-K141 WeakPolarHBondContact CE-O 3.35Å; K105-K141 WeakPolarHBondContact CG-O 3.2Å; L108-K141 HydrophobicContact CD2-CB 3.9Å; I137-K141 HydrophobicContact CG2-CD 4.24Å; I137-K141 WeakPolarHBondContact O-CG 3.32Å; I137-K141 PolarHBondContact O-N 2.76Å; I137-K141 VanDerWaalsContact O-N 3.07Å; L138-K141 CarbonylContact O-C 3.54Å; L138-K141 PolarHBondContact O-N 2.99Å
142A92.8Very high91.7Very high15 Ų1593 Ų9312%0.12446%0.457CS..THydrogen-bonded Turntrans-86.42.4-179.400000114.2L108 L118 I124 L138 Q139 D140 F144L108-A142 HydrophobicContact CD2-CB 3.91Å; L118-A142 HydrophobicContact CD2-CB 4.06Å; I124-A142 HydrophobicContact CD1-CB 3.85Å; I124-A142 HydrophobicContact CG1-CB 3.91Å; L138-A142 VanDerWaalsContact O-CB 3.23Å; L138-A142 WeakPolarHBondContact O-CB 3.21Å; L138-A142 PolarHBondContact O-N 2.83Å; Q139-A142 PolarHBondContact O-N 2.88Å; D140-A142 VanDerWaalsContact C-N 3.34Å; D140-A142 PolarHBondContact O-N 2.9Å; A142-F144 HydrophobicContact CB-CE2 4.4Å; A142-F144 WeakPolarHBondContact O-CD2 3.45Å; A142-F144 VanDerWaalsContact O-CE2 3.31Å; A142-F144 WeakPolarHBondContact O-CE2 3.44Å; A142-F144 PolarHBondContact O-N 3.26Å
143N93.6Very high92.3Very high78 Ų7888.3 Ų88.342%0.41744%0.437SS..  trans-80.9100.9176.6-175.8-1.6000111.8K105 Q139 D140 R145K105-N143 PolarHBondContact NZ-O 3.49Å; K105-N143 VanDerWaalsContact NZ-O 3.08Å; Q139-N143 PolarHBondContact O-N 3.36Å; D140-N143 PolarHBondContact O-N 3.36Å; N143-R145 PolarHBondContact OD1-N 3.47Å
144F94.9Very high92.7Very high37 Ų3781.4 Ų81.416%0.16241%0.407CS..  trans-100.15.3-176.4-53.6-59.2000115.7K105 L108 Y109 L118 A142 S146 F147K105-F144 HydrophobicContact CG-CD1 4.36Å; K105-F144 HydrophobicContact CG-CE1 4.09Å; L108-F144 HydrophobicContact CD2-CZ 4.42Å; L108-F144 HydrophobicContact CG-CZ 4.36Å; Y109-F144 AromaticContact CD2-CD1 3.83Å; Y109-F144 HydrophobicContact CD2-CD1 3.83Å; Y109-F144 HydrophobicContact CD2-CE1 4.01Å; Y109-F144 HydrophobicContact CD2-CG 4.1Å; Y109-F144 HydrophobicContact CD2-CZ 4.42Å; Y109-F144 HydrophobicContact CG-CE1 4.4Å; L118-F144 HydrophobicContact CD1-CE2 3.72Å; L118-F144 HydrophobicContact CD1-CZ 3.91Å; A142-F144 HydrophobicContact CB-CE2 4.4Å; A142-F144 WeakPolarHBondContact O-CD2 3.45Å; A142-F144 VanDerWaalsContact O-CE2 3.31Å; A142-F144 WeakPolarHBondContact O-CE2 3.44Å; A142-F144 PolarHBondContact O-N 3.26Å; F144-S146 PolarHBondContact O-N 3.42Å; F144-F147 HydrophobicContact CB-CB 4.29Å; F144-F147 HydrophobicContact CD1-CB 4.3Å; F144-F147 HydrophobicContact CD1-CD1 4.02Å; F144-F147 HydrophobicContact CD1-CG 4.27Å; F144-F147 PolarHBondContact O-N 2.79Å; F144-F147 VanDerWaalsContact O-N 3.11Å
145R89.8Confident93.2Very high230 Ų23081.8 Ų81.887%0.86841%0.406SS*.THydrogen-bonded Turntrans-56-26.1-171.4-69.5-177.1179.5-1741.5116N143N143-R145 PolarHBondContact OD1-N 3.47Å
146S91.7Very high93.7Very high122 Ų12284.8 Ų84.885%0.85342%0.42SS*.THydrogen-bonded Turntrans-137.527.9176.4-57.30000111.6F144F144-S146 PolarHBondContact O-N 3.42Å
147F94.6Very high94Very high53 Ų5378.2 Ų78.223%0.23239%0.389CS..  trans-82.7136.8-177.3-175.7-113.9000110.8K105 N106 Y109 F144 P149K105-F147 HydrophobicContact CB-CE2 4.46Å; K105-F147 HydrophobicContact CD-CD2 3.66Å; K105-F147 HydrophobicContact CD-CE2 4.01Å; K105-F147 HydrophobicContact CD-CG 4.26Å; K105-F147 HydrophobicContact CG-CD2 3.83Å; K105-F147 HydrophobicContact CG-CE2 3.75Å; K105-F147 HydrophobicContact CG-CG 4.33Å; K105-F147 HydrophobicContact CG-CZ 4.17Å; N106-F147 HydrophobicContact CB-CZ 3.92Å; Y109-F147 HydrophobicContact CD1-CE1 4.41Å; Y109-F147 HydrophobicContact CD2-CD1 4.11Å; Y109-F147 HydrophobicContact CD2-CE1 4.37Å; Y109-F147 HydrophobicContact CG-CD1 4.16Å; Y109-F147 AromaticContact CG-CE1 3.95Å; Y109-F147 HydrophobicContact CG-CE1 3.95Å; F144-F147 HydrophobicContact CB-CB 4.29Å; F144-F147 HydrophobicContact CD1-CB 4.3Å; F144-F147 HydrophobicContact CD1-CD1 4.02Å; F144-F147 HydrophobicContact CD1-CG 4.27Å; F144-F147 PolarHBondContact O-N 2.79Å; F144-F147 VanDerWaalsContact O-N 3.11Å; F147-P149 HydrophobicContact CD1-CG 4.3Å; F147-P149 HydrophobicContact CE1-CB 4.33Å; F147-P149 HydrophobicContact CE1-CG 4.3Å
148K93.9Very high94.2Very high184 Ų18475.3 Ų75.380%0.837%0.374SS*.  trans-109.4110.1171.9-70.4-173.7179.7-177.70108
149P94.1Very high94.6Very high64 Ų6478.3 Ų78.342%0.41639%0.39SS..PPolyproline II helixtrans-59.4139-179.6-24.434.5000111.7Y109 F147Y109-P149 HydrophobicContact CD1-CB 3.92Å; Y109-P149 HydrophobicContact CD1-CG 3.85Å; Y109-P149 HydrophobicContact CE1-CB 3.69Å; Y109-P149 HydrophobicContact CE1-CG 3.3Å; Y109-P149 HydrophobicContact CE2-CG 4.28Å; F147-P149 HydrophobicContact CD1-CG 4.3Å; F147-P149 HydrophobicContact CE1-CB 4.33Å; F147-P149 HydrophobicContact CE1-CG 4.3Å
150K95.3Very high94.9Very high143 Ų14377 Ų7762%0.62238%0.38SS*.PPolyproline II helixtrans-100.1160.1171.5-62.7178.5-177.5176.30109.2N106 H110 F152N106-K150 PolarHBondContact OD1-N 2.8Å; N106-K150 PolarHBondContact OD1-O 3.49Å; H110-K150 PolarHBondContact NE2-O 3.41Å; K150-F152 PolarHBondContact O-N 2.92Å
151P95.6Very high95.1Very high134 Ų13471.8 Ų71.887%0.8735%0.352SS*.PPolyproline II helixtrans-52.5141.7171.1-24.234.1000110.9
152F96.5Very high95.2Very high42 Ų4270.3 Ų70.318%0.18435%0.346CS..  trans-129.4142.8-177.5175.7-93.4000109.6D107 H110 A111 K150 M154 F157 P339D107-F152 HydrophobicContact CB-CE2 4.31Å; H110-F152 HydrophobicContact CB-CB 4.13Å; H110-F152 HydrophobicContact CB-CD1 3.84Å; H110-F152 HydrophobicContact CB-CD2 4.08Å; H110-F152 HydrophobicContact CB-CE1 4.27Å; H110-F152 HydrophobicContact CB-CE2 4.48Å; H110-F152 HydrophobicContact CB-CG 3.74Å; H110-F152 WeakPolarHBondContact CD2-CB 3.49Å; H110-F152 AromaticContact CD2-CG 3.79Å; H110-F152 AromaticContact CG-CG 3.84Å; A111-F152 HydrophobicContact CB-CZ 4.05Å; K150-F152 PolarHBondContact O-N 2.92Å; F152-M154 HydrophobicContact CE1-CG 3.88Å; F152-M154 HydrophobicContact CE1-SD 3.44Å; F152-M154 WeakPolarHBondContact CE1-SD 3.35Å; F152-M154 HydrophobicContact CZ-SD 3.63Å; F152-F157 HydrophobicContact CE2-CB 3.75Å; F152-F157 HydrophobicContact CE2-CD1 4.47Å; F152-F157 HydrophobicContact CE2-CD2 4.22Å; F152-F157 AromaticContact CE2-CG 3.9Å; F152-F157 HydrophobicContact CE2-CG 3.9Å; F152-F157 HydrophobicContact CZ-CB 3.77Å; F152-F157 HydrophobicContact CZ-CD1 4.07Å; F152-F157 AromaticContact CZ-CG 3.9Å; F152-F157 HydrophobicContact CZ-CG 3.9Å; F152-P339 HydrophobicContact CD1-CG 4.03Å; F152-P339 HydrophobicContact CE1-CG 3.47Å; F152-P339 VanDerWaalsContact CE1-CG 3.47Å; F152-P339 HydrophobicContact CZ-CG 4.31Å
153N96.3Very high95.5Very high71 Ų7169.7 Ų69.738%0.3834%0.34SS..  trans-140.7124.4179.4-179.2-67.9000108.4R155 E156 F157N153-R155 VanDerWaalsContact C-N 3.34Å; N153-R155 PolarHBondContact O-N 3.04Å; N153-R155 WeakPolarHBondContact OD1-CA 3.45Å; N153-R155 VanDerWaalsContact OD1-CB 3.26Å; N153-R155 WeakPolarHBondContact OD1-CB 3.49Å; N153-R155 PolarHBondContact OD1-N 3.05Å; N153-E156 HydrophobicContact CB-CB 4.24Å; N153-E156 PolarHBondContact O-N 3.2Å; N153-E156 PolarHBondContact OD1-N 3.44Å; N153-F157 PolarHBondContact O-N 2.87Å
154M95.6Very high95.7Very high4 Ų468 Ų682%0.0233%0.331CS..Hα-helixtrans-58.9-43.5-178.2-74.8-65.8-90.700111.9L114 F152 E156 F157 Y158 V328 C337 P339 Y342L114-M154 HydrophobicContact CD2-CE 3.54Å; F152-M154 HydrophobicContact CE1-CG 3.88Å; F152-M154 HydrophobicContact CE1-SD 3.44Å; F152-M154 WeakPolarHBondContact CE1-SD 3.35Å; F152-M154 HydrophobicContact CZ-SD 3.63Å; M154-E156 VanDerWaalsContact C-N 3.32Å; M154-E156 PolarHBondContact O-N 3.2Å; M154-F157 WeakPolarHBondContact O-CB 3.32Å; M154-F157 PolarHBondContact O-N 2.7Å; M154-F157 VanDerWaalsContact O-N 3.1Å; M154-F157 HydrophobicContact SD-CD1 4.43Å; M154-Y158 HydrophobicContact CE-CE2 3.72Å; M154-Y158 VanDerWaalsContact O-CD2 3.28Å; M154-Y158 WeakPolarHBondContact O-CD2 3.29Å; M154-Y158 PolarHBondContact O-N 3.32Å; M154-V328 HydrophobicContact CB-CG2 3.67Å; M154-C337 WeakPolarHBondContact CG-O 3.24Å; M154-P339 HydrophobicContact CG-CG 4.5Å; M154-P339 HydrophobicContact SD-CG 3.93Å; M154-Y342 HydrophobicContact CE-CD2 4.08Å; M154-Y342 HydrophobicContact CE-CE1 4.35Å; M154-Y342 HydrophobicContact CE-CE2 3.86Å; M154-Y342 HydrophobicContact CE-CG 4.42Å; M154-Y342 HydrophobicContact CG-CE2 4.17Å
155R96.4Very high95.8Very high62 Ų6266.5 Ų66.523%0.23433%0.325CS..Hα-helixtrans-60.3-40.1-179.6177.965.6-172.785.45.5112.7N153 D159 F188 V328 Y336N153-R155 VanDerWaalsContact C-N 3.34Å; N153-R155 PolarHBondContact O-N 3.04Å; N153-R155 WeakPolarHBondContact OD1-CA 3.45Å; N153-R155 VanDerWaalsContact OD1-CB 3.26Å; N153-R155 WeakPolarHBondContact OD1-CB 3.49Å; N153-R155 PolarHBondContact OD1-N 3.05Å; R155-D159 IonicContact CZ-OD1 3.62Å; R155-D159 VanDerWaalsContact NH1-CB 3.31Å; R155-D159 IonicContact NH1-OD1 3.62Å; R155-D159 PolarHBondContact NH1-OD1 2.86Å; R155-D159 IonicContact NH2-OD1 2.77Å; R155-D159 PolarHBondContact NH2-OD1 2.82Å; R155-D159 WeakPolarHBondContact O-CB 3.21Å; R155-D159 PolarHBondContact O-N 2.8Å; R155-D159 VanDerWaalsContact O-N 3.15Å; R155-F188 VanDerWaalsContact NH1-CE1 3.26Å; R155-F188 VanDerWaalsContact NH1-CE2 3.26Å; R155-F188 VanDerWaalsContact NH2-CZ 3.32Å; R155-V328 HydrophobicContact CB-CG2 4.43Å; R155-Y336 HydrophobicContact CB-CD1 4.22Å; R155-Y336 HydrophobicContact CB-CD2 3.77Å; R155-Y336 HydrophobicContact CB-CE1 3.94Å; R155-Y336 HydrophobicContact CB-CE2 3.49Å; R155-Y336 VanDerWaalsContact CB-CE2 3.49Å; R155-Y336 HydrophobicContact CB-CG 4.13Å; R155-Y336 HydrophobicContact CG-CE1 4.27Å; R155-Y336 HydrophobicContact CG-CE2 3.8Å
156E97Very high96.2Very high87 Ų8763.1 Ų63.141%0.40731%0.312SS..Hα-helixtrans-66.2-43.4174.4-174-82.1157.800111.3N153 M154 D159 R160N153-E156 HydrophobicContact CB-CB 4.24Å; N153-E156 PolarHBondContact O-N 3.2Å; N153-E156 PolarHBondContact OD1-N 3.44Å; M154-E156 VanDerWaalsContact C-N 3.32Å; M154-E156 PolarHBondContact O-N 3.2Å; E156-D159 WeakPolarHBondContact O-CB 3.11Å; E156-D159 PolarHBondContact O-N 3.44Å; E156-R160 WeakPolarHBondContact O-CB 3.35Å; E156-R160 PolarHBondContact O-N 3.17Å; E156-R160 WeakPolarHBondContact OE1-CD 3.33Å; E156-R160 IonicContact OE1-CZ 2.86Å; E156-R160 IonicContact OE1-NE 2.81Å; E156-R160 PolarHBondContact OE1-NE 3.48Å; E156-R160 IonicContact OE1-NH2 3.48Å; E156-R160 IonicContact OE2-CZ 2.77Å; E156-R160 IonicContact OE2-NE 3.53Å; E156-R160 IonicContact OE2-NH2 2.81Å; E156-R160 PolarHBondContact OE2-NH2 3.19Å
157F97.1Very high96.4Very high1 Ų161.1 Ų61.10%0.00429%0.292CS..Hα-helixtrans-59.9-50.1178.5175-117.3000111.9F98 V103 D107 L115 F152 N153 M154 D159 R160 A161F98-F157 HydrophobicContact CB-CZ 4.44Å; F98-F157 HydrophobicContact CD1-CD1 4.18Å; F98-F157 AromaticContact CD1-CE1 3.53Å; F98-F157 HydrophobicContact CD1-CE1 3.53Å; F98-F157 HydrophobicContact CD1-CE2 4.44Å; F98-F157 AromaticContact CD1-CZ 3.67Å; F98-F157 HydrophobicContact CD1-CZ 3.67Å; F98-F157 HydrophobicContact CD2-CE1 4.18Å; F98-F157 HydrophobicContact CD2-CZ 4.31Å; F98-F157 AromaticContact CE1-CD1 3.62Å; F98-F157 HydrophobicContact CE1-CD1 3.62Å; F98-F157 AromaticContact CE1-CE1 3.23Å; F98-F157 HydrophobicContact CE1-CE1 3.23Å; F98-F157 AromaticContact CE1-CZ 3.89Å; F98-F157 HydrophobicContact CE1-CZ 3.89Å; F98-F157 AromaticContact CE2-CE1 3.96Å; F98-F157 HydrophobicContact CE2-CE1 3.96Å; F98-F157 AromaticContact CG-CE1 3.98Å; F98-F157 HydrophobicContact CG-CE1 3.98Å; F98-F157 AromaticContact CG-CZ 3.87Å; F98-F157 HydrophobicContact CG-CZ 3.87Å; F98-F157 HydrophobicContact CZ-CD1 4.03Å; F98-F157 AromaticContact CZ-CE1 3.46Å; F98-F157 HydrophobicContact CZ-CE1 3.46Å; F98-F157 VanDerWaalsContact CZ-CE1 3.46Å; F98-F157 HydrophobicContact CZ-CZ 4.31Å; V103-F157 HydrophobicContact CG2-CE2 4.41Å; V103-F157 HydrophobicContact CG2-CZ 4.46Å; D107-F157 HydrophobicContact CB-CD2 3.85Å; D107-F157 HydrophobicContact CB-CE2 3.67Å; L115-F157 HydrophobicContact CD1-CE1 4.4Å; L115-F157 HydrophobicContact CD1-CZ 3.98Å; F152-F157 HydrophobicContact CE2-CB 3.75Å; F152-F157 HydrophobicContact CE2-CD1 4.47Å; F152-F157 HydrophobicContact CE2-CD2 4.22Å; F152-F157 AromaticContact CE2-CG 3.9Å; F152-F157 HydrophobicContact CE2-CG 3.9Å; F152-F157 HydrophobicContact CZ-CB 3.77Å; F152-F157 HydrophobicContact CZ-CD1 4.07Å; F152-F157 AromaticContact CZ-CG 3.9Å; F152-F157 HydrophobicContact CZ-CG 3.9Å; N153-F157 PolarHBondContact O-N 2.87Å; M154-F157 WeakPolarHBondContact O-CB 3.32Å; M154-F157 PolarHBondContact O-N 2.7Å; M154-F157 VanDerWaalsContact O-N 3.1Å; M154-F157 HydrophobicContact SD-CD1 4.43Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 2.75Å; F157-R160 PolarHBondContact O-N 2.79Å; F157-A161 HydrophobicContact CD2-CB 3.89Å; F157-A161 HydrophobicContact CE2-CB 3.58Å; F157-A161 HydrophobicContact CZ-CB 4.16Å; F157-A161 VanDerWaalsContact O-CB 3.24Å; F157-A161 WeakPolarHBondContact O-CB 3.42Å; F157-A161 PolarHBondContact O-N 3.43Å
158Y96.1Very high96.6Very high8 Ų858.7 Ų58.73%0.03128%0.281CS..Hα-helixtrans-59.6-38.4174.4-84.4-88.4000112.6F98 M154 G162 V328F98-Y158 AromaticContact CE1-CD1 3.5Å; F98-Y158 HydrophobicContact CE1-CD1 3.5Å; F98-Y158 VanDerWaalsContact CE1-CD1 3.5Å; F98-Y158 HydrophobicContact CE1-CD2 4.11Å; F98-Y158 AromaticContact CE1-CE1 3.65Å; F98-Y158 HydrophobicContact CE1-CE1 3.65Å; F98-Y158 HydrophobicContact CE1-CE2 4.24Å; F98-Y158 AromaticContact CE1-CG 3.77Å; F98-Y158 HydrophobicContact CE1-CG 3.77Å; F98-Y158 HydrophobicContact CE2-CE1 4.39Å; F98-Y158 AromaticContact CZ-CD1 3.76Å; F98-Y158 HydrophobicContact CZ-CD1 3.76Å; F98-Y158 HydrophobicContact CZ-CD2 4.25Å; F98-Y158 AromaticContact CZ-CE1 3.36Å; F98-Y158 HydrophobicContact CZ-CE1 3.36Å; F98-Y158 AromaticContact CZ-CE2 3.91Å; F98-Y158 HydrophobicContact CZ-CE2 3.91Å; F98-Y158 HydrophobicContact CZ-CG 4.21Å; F98-Y158 AromaticContact CZ-CZ 3.46Å; F98-Y158 VanDerWaalsContact CZ-CZ 3.46Å; M154-Y158 HydrophobicContact CE-CE2 3.72Å; M154-Y158 VanDerWaalsContact O-CD2 3.28Å; M154-Y158 WeakPolarHBondContact O-CD2 3.29Å; M154-Y158 PolarHBondContact O-N 3.32Å; Y158-G162 PolarHBondContact O-N 2.88Å; Y158-G162 VanDerWaalsContact O-N 3.17Å; Y158-V328 HydrophobicContact CD2-CB 4.14Å; Y158-V328 HydrophobicContact CD2-CG1 4.13Å; Y158-V328 HydrophobicContact CD2-CG2 3.72Å; Y158-V328 HydrophobicContact CE2-CB 4.34Å; Y158-V328 HydrophobicContact CE2-CG2 3.95Å; Y158-V328 HydrophobicContact CG-CG1 4.16Å
159D97.3Very high96.8Very high66 Ų6651.1 Ų51.135%0.35325%0.25SC..Hα-helixtrans-66.5-43.8-179.9-150.665.6000112.6R155 E156 F157 F188 K193R155-D159 IonicContact CZ-OD1 3.62Å; R155-D159 VanDerWaalsContact NH1-CB 3.31Å; R155-D159 IonicContact NH1-OD1 3.62Å; R155-D159 PolarHBondContact NH1-OD1 2.86Å; R155-D159 IonicContact NH2-OD1 2.77Å; R155-D159 PolarHBondContact NH2-OD1 2.82Å; R155-D159 WeakPolarHBondContact O-CB 3.21Å; R155-D159 PolarHBondContact O-N 2.8Å; R155-D159 VanDerWaalsContact O-N 3.15Å; E156-D159 WeakPolarHBondContact O-CB 3.11Å; E156-D159 PolarHBondContact O-N 3.44Å; F157-D159 VanDerWaalsContact C-N 3.3Å; F157-D159 PolarHBondContact O-N 2.75Å; D159-F188 VanDerWaalsContact OD1-CZ 3.29Å; D159-F188 WeakPolarHBondContact OD1-CZ 3.3Å; D159-K193 PolarHBondContact O-NZ 2.88Å
160R97.4Very high97Very high75 Ų7550.4 Ų50.428%0.28324%0.242SC..Hα-helixtrans-81.6-49.9-175.6173.4172.750.399.2-0.2112.1Q102 D107 E156 F157Q102-R160 PolarHBondContact O-NH1 2.82Å; D107-R160 VanDerWaalsContact CG-NH2 3.35Å; D107-R160 IonicContact OD1-CZ 3.9Å; D107-R160 IonicContact OD1-NH2 2.73Å; D107-R160 PolarHBondContact OD1-NH2 3.43Å; D107-R160 IonicContact OD2-CZ 3.75Å; D107-R160 IonicContact OD2-NH1 2.75Å; D107-R160 PolarHBondContact OD2-NH1 2.82Å; D107-R160 IonicContact OD2-NH2 3.4Å; D107-R160 PolarHBondContact OD2-NH2 2.83Å; D107-R160 VanDerWaalsContact OD2-NH2 3.08Å; E156-R160 WeakPolarHBondContact O-CB 3.35Å; E156-R160 PolarHBondContact O-N 3.17Å; E156-R160 WeakPolarHBondContact OE1-CD 3.33Å; E156-R160 IonicContact OE1-CZ 2.86Å; E156-R160 IonicContact OE1-NE 2.81Å; E156-R160 PolarHBondContact OE1-NE 3.48Å; E156-R160 IonicContact OE1-NH2 3.48Å; E156-R160 IonicContact OE2-CZ 2.77Å; E156-R160 IonicContact OE2-NE 3.53Å; E156-R160 IonicContact OE2-NH2 2.81Å; E156-R160 PolarHBondContact OE2-NH2 3.19Å; F157-R160 PolarHBondContact O-N 2.79Å
161A96.9Very high97Very high0 Ų045.1 Ų45.10%022%0.223CC..Hα-helixtrans-81.3-23-173.100000113F98 R99 Q102 F157F98-A161 HydrophobicContact CB-CB 4.27Å; F98-A161 HydrophobicContact CD1-CB 3.97Å; R99-A161 WeakPolarHBondContact CB-O 3.48Å; R99-A161 PolarHBondContact N-O 2.94Å; Q102-A161 HydrophobicContact CB-CB 4.17Å; F157-A161 HydrophobicContact CD2-CB 3.89Å; F157-A161 HydrophobicContact CE2-CB 3.58Å; F157-A161 HydrophobicContact CZ-CB 4.16Å; F157-A161 VanDerWaalsContact O-CB 3.24Å; F157-A161 WeakPolarHBondContact O-CB 3.42Å; F157-A161 PolarHBondContact O-N 3.43Å
162G96.7Very high97.2Very high0 Ų038.9 Ų38.90%018%0.183CC..SBendtrans-59.6160.6174.400000113.5E97 R99 Y158E97-G162 WeakPolarHBondContact O-CA 3.4Å; R99-G162 PolarHBondContact NE-O 2.92Å; R99-G162 PolarHBondContact NH2-O 3.17Å; Y158-G162 PolarHBondContact O-N 2.88Å; Y158-G162 VanDerWaalsContact O-N 3.17Å
163H97.9Very high97.2Very high2 Ų239.7 Ų39.71%0.00919%0.187CC..PPolyproline II helixtrans-64.8136.1177.2-73.7-94.9000111.6N94 N96 M168 Y195 Q225N94-H163 HydrophobicContact CB-CB 4.49Å; N94-H163 PolarHBondContact ND2-CD2 3.19Å; N94-H163 PolarHBondContact ND2-CE1 3.42Å; N94-H163 PolarHBondContact ND2-ND1 2.87Å; N94-H163 PolarHBondContact ND2-NE2 2.72Å; N96-H163 PolarHBondContact ND2-NE2 2.9Å; N96-H163 PolarHBondContact O-CD2 3.21Å; N96-H163 VanDerWaalsContact O-CD2 3.26Å; H163-M168 HydrophobicContact CB-CG 4.25Å; H163-M168 HydrophobicContact CB-SD 3.51Å; H163-M168 VanDerWaalsContact CB-SD 3.51Å; H163-Y195 WeakPolarHBondContact O-CE2 3.42Å; H163-Y195 PolarHBondContact O-OH 3.35Å; H163-Q225 PolarHBondContact ND1-OE1 2.8Å
164D97.9Very high97.3Very high42 Ų4237.2 Ų37.223%0.22517%0.173CC..PPolyproline II helixtrans-89127.6176.3-160.9-39.7000110.3R166 D167 M168 Y195D164-R166 PolarHBondContact O-N 3.03Å; D164-R166 WeakPolarHBondContact OD1-CB 3.39Å; D164-R166 WeakPolarHBondContact OD1-CG 3.42Å; D164-R166 PolarHBondContact OD1-N 2.8Å; D164-D167 PolarHBondContact O-N 3.48Å; D164-M168 WeakPolarHBondContact O-CG 3.45Å; D164-M168 PolarHBondContact O-N 2.86Å; D164-Y195 WeakPolarHBondContact CA-OH 3.42Å
165I98.1Very high97.2Very high7 Ų742.2 Ų42.24%0.03619%0.191CC..Hα-helixtrans-60.5-28.3176.5-167.662.3000112.1L92 D167 M168 L169 A181 F184 Y195 L222L92-I165 HydrophobicContact CD1-CD1 4.49Å; I165-D167 PolarHBondContact O-N 3.22Å; I165-M168 PolarHBondContact O-N 3.34Å; I165-L169 HydrophobicContact CD1-CB 4.27Å; I165-L169 HydrophobicContact CG1-CB 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3.44Å; I165-L169 PolarHBondContact O-N 2.67Å; I165-A181 HydrophobicContact CG2-CB 3.99Å; I165-F184 HydrophobicContact CD1-CD1 4.49Å; I165-F184 HydrophobicContact CG1-CB 4.27Å; I165-F184 HydrophobicContact CG1-CD2 4.37Å; I165-F184 HydrophobicContact CG1-CG 4.15Å; I165-Y195 HydrophobicContact CB-CD1 3.61Å; I165-Y195 HydrophobicContact CB-CD2 3.94Å; I165-Y195 HydrophobicContact CB-CE1 3.46Å; I165-Y195 VanDerWaalsContact CB-CE1 3.46Å; I165-Y195 HydrophobicContact CB-CE2 3.84Å; I165-Y195 HydrophobicContact CB-CG 3.84Å; I165-Y195 HydrophobicContact CD1-CD2 4.1Å; I165-Y195 HydrophobicContact CD1-CG 4.11Å; I165-Y195 HydrophobicContact CG1-CD1 4.16Å; I165-Y195 HydrophobicContact CG1-CD2 4.39Å; I165-Y195 HydrophobicContact CG1-CE1 4.48Å; I165-Y195 HydrophobicContact CG1-CG 4.11Å; I165-Y195 HydrophobicContact CG2-CD1 3.71Å; I165-Y195 HydrophobicContact CG2-CE1 3.4Å; I165-Y195 VanDerWaalsContact CG2-CE1 3.4Å; I165-Y195 HydrophobicContact CG2-CG 4.44Å; I165-Y195 PolarHBondContact N-OH 3.35Å; I165-L222 HydrophobicContact CD1-CD2 4.36Å
166R97.6Very high97Very high159 Ų15941.9 Ų41.960%0.621%0.207SC*.Hα-helixtrans-64.6-30.6176.9-65.4173.2-177.4-99-9.1112.3D164 A181 E182D164-R166 PolarHBondContact O-N 3.03Å; D164-R166 WeakPolarHBondContact OD1-CB 3.39Å; D164-R166 WeakPolarHBondContact OD1-CG 3.42Å; D164-R166 PolarHBondContact OD1-N 2.8Å; R166-A181 HydrophobicContact CG-CB 3.7Å; R166-E182 IonicContact NH1-OE1 3.54Å; R166-E182 IonicContact NH2-OE1 2.67Å
167D96.7Very high96.9Very high80 Ų8044.7 Ų44.743%0.42822%0.22SC..Hα-helixtrans-90-32.6179.8-57.7-32.1000111.3R99 D164 I165R99-D167 IonicContact NH1-OD2 3.61Å; R99-D167 PolarHBondContact NH1-OD2 3.11Å; D164-D167 PolarHBondContact O-N 3.48Å; I165-D167 PolarHBondContact O-N 3.22Å
168M97.9Very high96.9Very high2 Ų250.1 Ų50.11%0.0125%0.253CS..Hα-helixtrans-76.9-38.6177.9-65.3179.770.100112.8N94 H163 D164 I165 L170 L222 D223 I245N94-M168 HydrophobicContact CB-CE 4.06Å; N94-M168 HydrophobicContact CB-SD 4.49Å; H163-M168 HydrophobicContact CB-CG 4.25Å; H163-M168 HydrophobicContact CB-SD 3.51Å; H163-M168 VanDerWaalsContact CB-SD 3.51Å; D164-M168 WeakPolarHBondContact O-CG 3.45Å; D164-M168 PolarHBondContact O-N 2.86Å; I165-M168 PolarHBondContact O-N 3.34Å; M168-L170 PolarHBondContact O-N 3.44Å; M168-L222 HydrophobicContact CB-CD2 4.19Å; M168-L222 CarbonylContact O-C 3.59Å; M168-L222 VanDerWaalsContact O-CA 3.27Å; M168-L222 WeakPolarHBondContact O-CA 3.41Å; M168-D223 WeakPolarHBondContact CG-O 3.27Å; M168-D223 PolarHBondContact O-N 3.27Å; M168-I245 HydrophobicContact CE-CG2 4.29Å
169L98.3Very high96.9Very high25 Ų2550.5 Ų50.513%0.13126%0.257CS..EExtended strand (participates in β ladder)trans-81.299.5-171.5-170.168.9000111.8I165 C172 F184 I220 L222I165-L169 HydrophobicContact CD1-CB 4.27Å; I165-L169 HydrophobicContact CG1-CB 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3.44Å; I165-L169 PolarHBondContact O-N 2.67Å; L169-C172 HydrophobicContact CD1-CB 4.04Å; L169-C172 HydrophobicContact CD2-CB 3.94Å; L169-C172 HydrophobicContact CG-CB 4.21Å; L169-F184 HydrophobicContact CD1-CE2 4.45Å; L169-F184 HydrophobicContact CD1-CZ 4.4Å; L169-F184 HydrophobicContact CD2-CD2 4.18Å; L169-F184 HydrophobicContact CD2-CE2 3.7Å; L169-F184 HydrophobicContact CD2-CZ 4.43Å; L169-I220 HydrophobicContact CD1-CB 4.14Å; L169-I220 HydrophobicContact CD1-CG2 4.18Å; L169-L222 HydrophobicContact CB-CD2 4.31Å; L169-L222 HydrophobicContact CD1-CD2 3.79Å
170L97.4Very high96.8Very high48 Ų4849.2 Ų49.225%0.25125%0.253SS..EExtended strand (participates in β ladder)trans-81.1-37.8179.3-59.9-174.5000112.9M168 M221 D223 F394 I405M168-L170 PolarHBondContact O-N 3.44Å; L170-M221 HydrophobicContact CB-CB 4.31Å; L170-M221 HydrophobicContact CB-CG 4.15Å; L170-M221 HydrophobicContact CB-SD 4.38Å; L170-M221 HydrophobicContact CD1-CG 4.22Å; L170-M221 HydrophobicContact CD1-SD 4.3Å; L170-M221 PolarHBondContact N-O 3.11Å; L170-D223 HydrophobicContact CD1-CB 4.15Å; L170-D223 HydrophobicContact CD2-CB 4.27Å; L170-D223 HydrophobicContact CG-CB 4.17Å; L170-F394 HydrophobicContact CB-CE1 3.91Å; L170-F394 HydrophobicContact CB-CZ 3.91Å; L170-F394 HydrophobicContact CD1-CD1 4.21Å; L170-F394 HydrophobicContact CD1-CD2 4.19Å; L170-F394 HydrophobicContact CD1-CE1 3.95Å; L170-F394 HydrophobicContact CD1-CE2 3.91Å; L170-F394 HydrophobicContact CD1-CG 4.33Å; L170-F394 HydrophobicContact CD1-CZ 3.78Å; L170-F394 HydrophobicContact CD2-CD1 4.08Å; L170-F394 HydrophobicContact CD2-CE1 4Å; L170-F394 HydrophobicContact CG-CE1 4.19Å; L170-F394 HydrophobicContact CG-CZ 4.34Å; L170-I405 HydrophobicContact CD1-CD1 3.47Å; L170-I405 VanDerWaalsContact CD1-CD1 3.47Å; L170-I405 HydrophobicContact CD1-CG1 4.44Å
171S97.2Very high96.8Very high32 Ų3246.6 Ų46.622%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-154.6149.7172.8610000111.3I220 M221S171-I220 WeakPolarHBondContact O-CA 3.45Å; S171-M221 PolarHBondContact N-O 3.26Å; S171-M221 PolarHBondContact O-N 3.13Å; S171-M221 WeakPolarHBondContact OG-CB 3.49Å
172C98Very high96.7Very high4 Ų451.7 Ų51.73%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-144.5128-178.7-1730000109.5L169 C179 E219 I220L169-C172 HydrophobicContact CD1-CB 4.04Å; L169-C172 HydrophobicContact CD2-CB 3.94Å; L169-C172 HydrophobicContact CG-CB 4.21Å; C172-C179 HydrophobicContact CB-CB 3.99Å; C172-C179 WeakPolarHBondContact CB-O 3.37Å; C172-C179 WeakPolarHBondContact CB-SG 3.38Å; C172-C179 PolarHBondContact O-N 3.05Å; C172-C179 PolarHBondContact O-SG 2.81Å; C172-C179 WeakPolarHBondContact SG-CB 3.49Å; C172-C179 CovalentContact SG-SG 2.03Å; C172-C179 PolarHBondContact SG-SG 2.95Å; C172-E219 CarbonylContact C-O 3.53Å; C172-E219 WeakPolarHBondContact CA-O 3.45Å; C172-I220 HydrophobicContact CB-CG2 4.27Å
173H97.6Very high96.6Very high59 Ų5954.6 Ų54.627%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-133.5133.3174.2-61.6-86.9000110.5E177 C179 L218 E219H173-E177 CarbonylContact C-O 3.5Å; H173-E177 VanDerWaalsContact CA-O 3.24Å; H173-E177 WeakPolarHBondContact CA-O 3.37Å; H173-C179 PolarHBondContact N-SG 3.3Å; H173-L218 WeakPolarHBondContact O-CA 3.46Å; H173-E219 HydrophobicContact CB-CB 4.42Å; H173-E219 PolarHBondContact N-O 2.01Å; H173-E219 PolarHBondContact O-N 3.46Å
174F97.1Very high96.6Very high19 Ų1955 Ų558%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-122.2115.2169.3179.6-106.7000109.1F87 G176 E177 F197 L207 G217 L218F87-F174 HydrophobicContact CB-CE2 4.15Å; F87-F174 HydrophobicContact CB-CZ 4.07Å; F87-F174 AromaticContact CD1-CE2 3.77Å; F87-F174 HydrophobicContact CD1-CE2 3.77Å; F87-F174 HydrophobicContact CD1-CZ 4.46Å; F87-F174 AromaticContact CD2-CE2 3.88Å; F87-F174 HydrophobicContact CD2-CE2 3.88Å; F87-F174 HydrophobicContact CD2-CZ 4.48Å; F87-F174 HydrophobicContact CE1-CE2 4.11Å; F87-F174 HydrophobicContact CE2-CE2 4.21Å; F87-F174 AromaticContact CG-CE2 3.65Å; F87-F174 HydrophobicContact CG-CE2 3.65Å; F87-F174 HydrophobicContact CG-CZ 4.09Å; F87-F174 HydrophobicContact CZ-CE2 4.32Å; F174-G176 PolarHBondContact O-N 3.33Å; F174-E177 PolarHBondContact N-O 2.79Å; F174-E177 WeakPolarHBondContact O-CB 3.34Å; F174-E177 PolarHBondContact O-N 2.98Å; F174-F197 HydrophobicContact CB-CZ 3.98Å; F174-F197 AromaticContact CD2-CE1 3.96Å; F174-F197 HydrophobicContact CD2-CE1 3.96Å; F174-F197 AromaticContact CD2-CZ 3.98Å; F174-F197 HydrophobicContact CD2-CZ 3.98Å; F174-F197 HydrophobicContact CE2-CE1 4.37Å; F174-F197 HydrophobicContact CG-CE1 4.39Å; F174-F197 AromaticContact CG-CZ 3.95Å; F174-F197 HydrophobicContact CG-CZ 3.95Å; F174-L207 HydrophobicContact CD1-CD1 3.88Å; F174-L207 HydrophobicContact CE1-CB 3.7Å; F174-L207 HydrophobicContact CE1-CD1 3.84Å; F174-L207 HydrophobicContact CE1-CD2 4.36Å; F174-L207 HydrophobicContact CE1-CG 4.18Å; F174-L207 HydrophobicContact CG-CD1 4.33Å; F174-L207 HydrophobicContact CZ-CB 3.76Å; F174-L207 HydrophobicContact CZ-CD1 4.28Å; F174-G217 WeakPolarHBondContact CA-O 3.35Å; F174-L218 HydrophobicContact CD2-CB 4.34Å
175R94.8Very high96.5Very high109 Ų10955.9 Ų55.941%0.41129%0.29SS..THydrogen-bonded Turntrans54.635-174.6-59.4169.153.2-166.8-13.9113.2E177 K208 N216 G217R175-E177 PolarHBondContact O-N 2.93Å; R175-K208 WeakPolarHBondContact CD-O 3.23Å; R175-K208 PolarHBondContact NH1-O 3.05Å; R175-N216 WeakPolarHBondContact CG-O 3.25Å; R175-G217 PolarHBondContact N-O 2.97Å
176G92.6Very high96.5Very high55 Ų5558.4 Ų58.457%0.56731%0.306SS*.THydrogen-bonded Turntrans81.7-14.6-176.600000115.3F174F174-G176 PolarHBondContact O-N 3.33Å
177E95.3Very high96.5Very high146 Ų14652.4 Ų52.468%0.68229%0.287SS*.EExtended strand (participates in β ladder)trans-78.5139.2174.5-63.2-62.9157.900110.3H173 F174 R175 C179H173-E177 CarbonylContact C-O 3.5Å; H173-E177 VanDerWaalsContact CA-O 3.24Å; H173-E177 WeakPolarHBondContact CA-O 3.37Å; F174-E177 PolarHBondContact N-O 2.79Å; F174-E177 WeakPolarHBondContact O-CB 3.34Å; F174-E177 PolarHBondContact O-N 2.98Å; R175-E177 PolarHBondContact O-N 2.93Å; E177-C179 PolarHBondContact O-N 2.92Å
178V96.7Very high96.5Very high115 Ų11549.9 Ų49.970%0.69727%0.272SS*.EExtended strand (participates in β ladder)trans-71.3128.5-179.8-178.10000109.7
179C95.9Very high96.4Very high16 Ų1650.2 Ų50.211%0.10828%0.275CS..  trans-106.2167.1169.539.50000111.9C172 H173 E177 D183 F197C172-C179 HydrophobicContact CB-CB 3.99Å; C172-C179 WeakPolarHBondContact CB-O 3.37Å; C172-C179 WeakPolarHBondContact CB-SG 3.38Å; C172-C179 PolarHBondContact O-N 3.05Å; C172-C179 PolarHBondContact O-SG 2.81Å; C172-C179 WeakPolarHBondContact SG-CB 3.49Å; C172-C179 CovalentContact SG-SG 2.03Å; C172-C179 PolarHBondContact SG-SG 2.95Å; H173-C179 PolarHBondContact N-SG 3.3Å; E177-C179 PolarHBondContact O-N 2.92Å; C179-D183 HydrophobicContact CB-CB 4.44Å; C179-D183 WeakPolarHBondContact CB-OD2 3.31Å; C179-F197 HydrophobicContact CB-CE2 4.48Å
180S95.6Very high96.1Very high39 Ų3952.3 Ų52.327%0.27328%0.281SS..  trans-127.8169.9-171.867.80000111.6E182 D183 F184S180-E182 PolarHBondContact O-N 3.44Å; S180-E182 PolarHBondContact OG-N 2.81Å; S180-E182 PolarHBondContact OG-OE2 2.91Å; S180-D183 PolarHBondContact N-OD2 3.19Å; S180-D183 WeakPolarHBondContact O-CB 3.39Å; S180-D183 PolarHBondContact O-N 2.85Å; S180-D183 VanDerWaalsContact O-N 3.09Å; S180-D183 PolarHBondContact OG-OD2 3.5Å; S180-F184 WeakPolarHBondContact O-CD2 3.46Å
181A96.5Very high95.8Very high20 Ų2052.4 Ų52.417%0.16528%0.278CS..G310 helixtrans-58.5-27.8170.200000112.7I165 R166 D183 F184I165-A181 HydrophobicContact CG2-CB 3.99Å; R166-A181 HydrophobicContact CG-CB 3.7Å; A181-D183 PolarHBondContact O-N 3.08Å; A181-F184 PolarHBondContact O-N 3.11Å
182E94.4Very high95.6Very high106 Ų10650.9 Ų50.950%0.49527%0.267SS..G310 helixtrans-68.9-18.3177.5-70.6101.3-15200113.1R166 S180 F184 R204R166-E182 IonicContact NH1-OE1 3.54Å; R166-E182 IonicContact NH2-OE1 2.67Å; S180-E182 PolarHBondContact O-N 3.44Å; S180-E182 PolarHBondContact OG-N 2.81Å; S180-E182 PolarHBondContact OG-OE2 2.91Å; E182-F184 PolarHBondContact O-N 2.83Å; E182-R204 VanDerWaalsContact O-CZ 3.25Å; E182-R204 PolarHBondContact O-NH1 2.89Å; E182-R204 PolarHBondContact O-NH2 3.28Å
183D95.4Very high95.6Very high61 Ų6151.9 Ų51.933%0.32627%0.271SS..G310 helixtrans-77.6-9.1177.5-62.5-55.1000113.1C179 S180 A181 F197C179-D183 HydrophobicContact CB-CB 4.44Å; C179-D183 WeakPolarHBondContact CB-OD2 3.31Å; S180-D183 PolarHBondContact N-OD2 3.19Å; S180-D183 WeakPolarHBondContact O-CB 3.39Å; S180-D183 PolarHBondContact O-N 2.85Å; S180-D183 VanDerWaalsContact O-N 3.09Å; S180-D183 PolarHBondContact OG-OD2 3.5Å; A181-D183 PolarHBondContact O-N 3.08Å; D183-F197 HydrophobicContact CB-CD2 4.37Å; D183-F197 HydrophobicContact CB-CE2 4.22Å
184F97.1Very high95.6Very high11 Ų1149 Ų495%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-102.2121.7178.2-68.5-98.5000110.6L92 I165 L169 S180 A181 E182 Y195 F197 I220L92-F184 HydrophobicContact CD2-CE1 4.14Å; I165-F184 HydrophobicContact CD1-CD1 4.49Å; I165-F184 HydrophobicContact CG1-CB 4.27Å; I165-F184 HydrophobicContact CG1-CD2 4.37Å; I165-F184 HydrophobicContact CG1-CG 4.15Å; L169-F184 HydrophobicContact CD1-CE2 4.45Å; L169-F184 HydrophobicContact CD1-CZ 4.4Å; L169-F184 HydrophobicContact CD2-CD2 4.18Å; L169-F184 HydrophobicContact CD2-CE2 3.7Å; L169-F184 HydrophobicContact CD2-CZ 4.43Å; S180-F184 WeakPolarHBondContact O-CD2 3.46Å; A181-F184 PolarHBondContact O-N 3.11Å; E182-F184 PolarHBondContact O-N 2.83Å; F184-Y195 HydrophobicContact CB-CD1 4.32Å; F184-F197 HydrophobicContact CD1-CB 3.96Å; F184-F197 HydrophobicContact CE1-CB 3.69Å; F184-F197 HydrophobicContact CE1-CD2 4.28Å; F184-F197 HydrophobicContact CE1-CG 4.39Å; F184-F197 HydrophobicContact CE2-CD2 4.15Å; F184-F197 HydrophobicContact CZ-CB 4.22Å; F184-F197 AromaticContact CZ-CD2 3.97Å; F184-F197 HydrophobicContact CZ-CD2 3.97Å; F184-F197 HydrophobicContact CZ-CG 4.45Å; F184-I220 HydrophobicContact CZ-CG2 4.2Å
185K96.9Very high95.7Very high60 Ų6048.4 Ų48.426%0.26126%0.255SS..EExtended strand (participates in β ladder)trans-87.5131.4175.4-179162.8-177.7155.10110.2Y195 T196 R201 D202K185-Y195 CarbonylContact O-C 3.52Å; K185-Y195 WeakPolarHBondContact O-CA 3.36Å; K185-T196 PolarHBondContact N-O 2.85Å; K185-T196 PolarHBondContact O-N 3.18Å; K185-R201 HydrophobicContact CD-CB 4.07Å; K185-D202 WeakPolarHBondContact CD-OD2 3.14Å; K185-D202 WeakPolarHBondContact CE-OD2 3.25Å; K185-D202 IonicContact NZ-OD1 3.62Å; K185-D202 PolarHBondContact NZ-OD1 3.26Å; K185-D202 IonicContact NZ-OD2 4Å; K185-D202 PolarHBondContact NZ-OD2 2.96Å
186V97.4Very high95.9Very high60 Ų6043.6 Ų43.636%0.36424%0.238SC..EExtended strand (participates in β ladder)trans-67.8131.9174.3-172.90000109.8F188 K193 C194 Y195V186-F188 HydrophobicContact CG1-CE2 3.57Å; V186-F188 HydrophobicContact CG1-CZ 3.63Å; V186-K193 HydrophobicContact CG1-CG 3.98Å; V186-C194 WeakPolarHBondContact CA-O 3.28Å; V186-Y195 HydrophobicContact CG2-CD1 4.2Å; V186-Y195 HydrophobicContact CG2-CE1 3.81Å
187V97Very high96.1Very high34 Ų3441.1 Ų41.121%0.20621%0.212CC..EExtended strand (participates in β ladder)trans-135.9143.1172.265.60000109T91 T189 C194 T196 P256T91-V187 HydrophobicContact CG2-CG1 3.88Å; V187-T189 HydrophobicContact CG1-CG2 4.4Å; V187-C194 HydrophobicContact CG1-CB 3.89Å; V187-C194 PolarHBondContact N-O 2.78Å; V187-C194 CarbonylContact O-C 3.55Å; V187-C194 WeakPolarHBondContact O-CA 3.29Å; V187-C194 WeakPolarHBondContact O-CB 3.27Å; V187-C194 PolarHBondContact O-N 2.96Å; V187-C194 VanDerWaalsContact O-O 3.1Å; V187-T196 WeakPolarHBondContact CG1-OG1 3.44Å; V187-P256 HydrophobicContact CG1-CG 4.15Å; V187-P256 HydrophobicContact CG2-CG 3.79Å
188F97.1Very high96.2Very high27 Ų2734.7 Ų34.712%0.11818%0.182CC..EExtended strand (participates in β ladder)trans-98.2130.1176-67.5-85.6000108.4R155 D159 V186 G192 K193 V328 H329R155-F188 VanDerWaalsContact NH1-CE1 3.26Å; R155-F188 VanDerWaalsContact NH1-CE2 3.26Å; R155-F188 VanDerWaalsContact NH2-CZ 3.32Å; D159-F188 VanDerWaalsContact OD1-CZ 3.29Å; D159-F188 WeakPolarHBondContact OD1-CZ 3.3Å; V186-F188 HydrophobicContact CG1-CE2 3.57Å; V186-F188 HydrophobicContact CG1-CZ 3.63Å; F188-G192 WeakPolarHBondContact CA-O 3.48Å; F188-K193 HydrophobicContact CE1-CB 3.92Å; F188-K193 HydrophobicContact CE1-CG 3.96Å; F188-K193 HydrophobicContact CZ-CG 4.04Å; F188-V328 HydrophobicContact CB-CG1 4.08Å; F188-V328 HydrophobicContact CD1-CG1 3.77Å; F188-V328 HydrophobicContact CG-CG1 3.95Å; F188-H329 HydrophobicContact CB-CB 4.25Å; F188-H329 VanDerWaalsContact O-CB 3.25Å; F188-H329 WeakPolarHBondContact O-CB 3.25Å
189T95.8Very high96.2Very high9 Ų929.9 Ų29.96%0.05515%0.154CC..EExtended strand (participates in β ladder)trans-124.9-173174.275.70000108.9V187 Y191 G192 C194 P256 I258V187-T189 HydrophobicContact CG1-CG2 4.4Å; T189-Y191 VanDerWaalsContact C-N 3.26Å; T189-Y191 PolarHBondContact O-N 2.77Å; T189-Y191 PolarHBondContact OG1-N 3.06Å; T189-G192 PolarHBondContact N-O 2.97Å; T189-G192 PolarHBondContact O-N 3.48Å; T189-C194 HydrophobicContact CG2-CB 4.17Å; T189-C194 PolarHBondContact OG1-SG 2.94Å; T189-P256 HydrophobicContact CG2-CG 4.41Å; T189-I258 HydrophobicContact CG2-CG2 3.88Å
190R91.3Very high95.9Very high68 Ų6830.4 Ų30.426%0.25716%0.161SC..THydrogen-bonded Turntrans-59.2-37.5173.2-67.2-167-179.5-162.52.8112.1G192 D259 E315R190-G192 PolarHBondContact O-N 3.29Å; R190-D259 HydrophobicContact CB-CB 4.34Å; R190-D259 WeakPolarHBondContact CD-OD2 3.47Å; R190-D259 IonicContact NE-OD2 3.73Å; R190-E315 IonicContact CZ-OE2 3.83Å; R190-E315 IonicContact NH2-OE1 3.31Å; R190-E315 IonicContact NH2-OE2 3.07Å; R190-E315 PolarHBondContact NH2-OE2 2.99Å
191Y92.1Very high95.5Very high50 Ų5034.1 Ų34.120%0.19617%0.169CC..THydrogen-bonded Turntrans-7110.8172.9-61.3-65.8000115.2C93 L95 E97 T189 K246 I258 D259C93-Y191 HydrophobicContact CB-CD2 4.41Å; L95-Y191 HydrophobicContact CD2-CE1 4.44Å; E97-Y191 WeakPolarHBondContact OE1-CA 3.15Å; T189-Y191 VanDerWaalsContact C-N 3.26Å; T189-Y191 PolarHBondContact O-N 2.77Å; T189-Y191 PolarHBondContact OG1-N 3.06Å; Y191-K246 HydrophobicContact CE2-CD 3.6Å; Y191-K246 WeakPolarHBondContact OH-CD 3.47Å; Y191-K246 PolarHBondContact OH-NZ 3.21Å; Y191-I258 HydrophobicContact CD2-CG2 3.83Å; Y191-I258 HydrophobicContact CE2-CG2 4.17Å; Y191-D259 HydrophobicContact CE2-CB 4.1Å
192G93.6Very high94.9Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans79.9-128.9-177.400000114.7F188 T189 R190 C194F188-G192 WeakPolarHBondContact CA-O 3.48Å; T189-G192 PolarHBondContact N-O 2.97Å; T189-G192 PolarHBondContact O-N 3.48Å; R190-G192 PolarHBondContact O-N 3.29Å; G192-C194 PolarHBondContact O-N 2.93Å
193K97.5Very high94.3Very high25 Ų2537.8 Ų37.811%0.10921%0.209CC..EExtended strand (participates in β ladder)trans-82.5108.8-167.8-168.5-178.9-171.4-179.60111.5D159 V186 F188 Y195D159-K193 PolarHBondContact O-NZ 2.88Å; V186-K193 HydrophobicContact CG1-CG 3.98Å; F188-K193 HydrophobicContact CE1-CB 3.92Å; F188-K193 HydrophobicContact CE1-CG 3.96Å; F188-K193 HydrophobicContact CZ-CG 4.04Å; K193-Y195 VanDerWaalsContact CE-OH 3.27Å; K193-Y195 WeakPolarHBondContact CE-OH 3.34Å
194C98.3Very high94Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-120.9172.1-177-57.10000112.4T91 L92 C93 V186 V187 T189 G192T91-C194 HydrophobicContact CG2-CB 4.45Å; L92-C194 WeakPolarHBondContact O-CB 3.29Å; C93-C194 HydrophobicContact CB-CB 4.05Å; C93-C194 WeakPolarHBondContact CB-SG 3.08Å; C93-C194 WeakPolarHBondContact SG-CB 3.32Å; C93-C194 CovalentContact SG-SG 2.01Å; C93-C194 PolarHBondContact SG-SG 3.01Å; V186-C194 WeakPolarHBondContact CA-O 3.28Å; V187-C194 HydrophobicContact CG1-CB 3.89Å; V187-C194 PolarHBondContact N-O 2.78Å; V187-C194 CarbonylContact O-C 3.55Å; V187-C194 WeakPolarHBondContact O-CA 3.29Å; V187-C194 WeakPolarHBondContact O-CB 3.27Å; V187-C194 PolarHBondContact O-N 2.96Å; V187-C194 VanDerWaalsContact O-O 3.1Å; T189-C194 HydrophobicContact CG2-CB 4.17Å; T189-C194 PolarHBondContact OG1-SG 2.94Å; G192-C194 PolarHBondContact O-N 2.93Å
195Y98.4Very high93.8Very high5 Ų545.2 Ų45.22%0.0225%0.247CC..EExtended strand (participates in β ladder)trans-136129.5-171.8-62.5-81.5000111.6T91 L92 H163 D164 I165 F184 K185 V186 K193T91-Y195 CarbonylContact C-O 3.55Å; T91-Y195 WeakPolarHBondContact CA-O 3.26Å; L92-Y195 PolarHBondContact N-O 2.77Å; L92-Y195 PolarHBondContact O-N 2.91Å; H163-Y195 WeakPolarHBondContact O-CE2 3.42Å; H163-Y195 PolarHBondContact O-OH 3.35Å; D164-Y195 WeakPolarHBondContact CA-OH 3.42Å; I165-Y195 HydrophobicContact CB-CD1 3.61Å; I165-Y195 HydrophobicContact CB-CD2 3.94Å; I165-Y195 HydrophobicContact CB-CE1 3.46Å; I165-Y195 VanDerWaalsContact CB-CE1 3.46Å; I165-Y195 HydrophobicContact CB-CE2 3.84Å; I165-Y195 HydrophobicContact CB-CG 3.84Å; I165-Y195 HydrophobicContact CD1-CD2 4.1Å; I165-Y195 HydrophobicContact CD1-CG 4.11Å; I165-Y195 HydrophobicContact CG1-CD1 4.16Å; I165-Y195 HydrophobicContact CG1-CD2 4.39Å; I165-Y195 HydrophobicContact CG1-CE1 4.48Å; I165-Y195 HydrophobicContact CG1-CG 4.11Å; I165-Y195 HydrophobicContact CG2-CD1 3.71Å; I165-Y195 HydrophobicContact CG2-CE1 3.4Å; I165-Y195 VanDerWaalsContact CG2-CE1 3.4Å; I165-Y195 HydrophobicContact CG2-CG 4.44Å; I165-Y195 PolarHBondContact N-OH 3.35Å; F184-Y195 HydrophobicContact CB-CD1 4.32Å; K185-Y195 CarbonylContact O-C 3.52Å; K185-Y195 WeakPolarHBondContact O-CA 3.36Å; V186-Y195 HydrophobicContact CG2-CD1 4.2Å; V186-Y195 HydrophobicContact CG2-CE1 3.81Å; K193-Y195 VanDerWaalsContact CE-OH 3.27Å; K193-Y195 WeakPolarHBondContact CE-OH 3.34Å
196T98.4Very high93.7Very high8 Ų847.3 Ų47.35%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-111.2113.4177.6-530000110.8A89 V90 T91 K185 V187A89-T196 HydrophobicContact CB-CG2 3.96Å; V90-T196 CarbonylContact O-C 3.57Å; V90-T196 WeakPolarHBondContact O-CA 3.44Å; T91-T196 WeakPolarHBondContact OG1-CB 3.33Å; T91-T196 WeakPolarHBondContact OG1-CG2 3.28Å; T91-T196 PolarHBondContact OG1-OG1 3.28Å; K185-T196 PolarHBondContact N-O 2.85Å; K185-T196 PolarHBondContact O-N 3.18Å; V187-T196 WeakPolarHBondContact CG1-OG1 3.44Å
197F98.3Very high93.6Very high3 Ų347.4 Ų47.41%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-75.6142166.5-179.4-100.5000110.3F87 A89 V90 F174 C179 D183 F184 S199 L207 L218F87-F197 HydrophobicContact CD1-CD1 4.45Å; F87-F197 HydrophobicContact CD1-CE1 4.13Å; F87-F197 HydrophobicContact CE1-CD1 4.2Å; F87-F197 HydrophobicContact CE1-CE1 4.05Å; A89-F197 WeakPolarHBondContact CA-O 3.33Å; V90-F197 HydrophobicContact CB-CB 4.34Å; V90-F197 PolarHBondContact N-O 3.44Å; V90-F197 VanDerWaalsContact N-O 3.08Å; V90-F197 PolarHBondContact O-N 3.1Å; F174-F197 HydrophobicContact CB-CZ 3.98Å; F174-F197 AromaticContact CD2-CE1 3.96Å; F174-F197 HydrophobicContact CD2-CE1 3.96Å; F174-F197 AromaticContact CD2-CZ 3.98Å; F174-F197 HydrophobicContact CD2-CZ 3.98Å; F174-F197 HydrophobicContact CE2-CE1 4.37Å; F174-F197 HydrophobicContact CG-CE1 4.39Å; F174-F197 AromaticContact CG-CZ 3.95Å; F174-F197 HydrophobicContact CG-CZ 3.95Å; C179-F197 HydrophobicContact CB-CE2 4.48Å; D183-F197 HydrophobicContact CB-CD2 4.37Å; D183-F197 HydrophobicContact CB-CE2 4.22Å; F184-F197 HydrophobicContact CD1-CB 3.96Å; F184-F197 HydrophobicContact CE1-CB 3.69Å; F184-F197 HydrophobicContact CE1-CD2 4.28Å; F184-F197 HydrophobicContact CE1-CG 4.39Å; F184-F197 HydrophobicContact CE2-CD2 4.15Å; F184-F197 HydrophobicContact CZ-CB 4.22Å; F184-F197 AromaticContact CZ-CD2 3.97Å; F184-F197 HydrophobicContact CZ-CD2 3.97Å; F184-F197 HydrophobicContact CZ-CG 4.45Å; F197-S199 VanDerWaalsContact C-N 3.3Å; F197-S199 PolarHBondContact O-N 3.2Å; F197-L207 HydrophobicContact CE1-CD1 3.91Å; F197-L207 HydrophobicContact CE2-CD1 4.36Å; F197-L207 HydrophobicContact CZ-CD1 3.52Å; F197-L218 HydrophobicContact CB-CD2 4.3Å; F197-L218 HydrophobicContact CD1-CD1 4.12Å; F197-L218 HydrophobicContact CD1-CD2 3.72Å; F197-L218 HydrophobicContact CD1-CG 4.43Å; F197-L218 HydrophobicContact CD2-CD1 4.24Å; F197-L218 HydrophobicContact CE1-CD1 3.89Å; F197-L218 HydrophobicContact CE1-CD2 4.21Å; F197-L218 HydrophobicContact CE1-CG 4.45Å; F197-L218 HydrophobicContact CE2-CD1 4.02Å; F197-L218 HydrophobicContact CG-CD1 4.29Å; F197-L218 HydrophobicContact CG-CD2 3.99Å; F197-L218 HydrophobicContact CZ-CD1 3.84Å
198N97.1Very high93.4Very high11 Ų1150 Ų506%0.05926%0.26CS..THydrogen-bonded Turntrans53.843.7176.5-172.537.2000113.5F87 P88 G200 L207 Q252F87-N198 PolarHBondContact O-ND2 2.92Å; P88-N198 PolarHBondContact O-ND2 2.99Å; N198-G200 PolarHBondContact O-N 3.37Å; N198-L207 HydrophobicContact CB-CD1 4.26Å; N198-L207 WeakPolarHBondContact OD1-CB 3.37Å; N198-L207 PolarHBondContact OD1-N 2.88Å; N198-Q252 PolarHBondContact ND2-NE2 3.06Å; N198-Q252 WeakPolarHBondContact O-CG 3.46Å; N198-Q252 PolarHBondContact O-NE2 2.84Å
199S95.1Very high93.3Very high15 Ų1548.8 Ų48.811%0.10526%0.255CS..  trans-64-20.2-179.864.40000114F197 R201F197-S199 VanDerWaalsContact C-N 3.3Å; F197-S199 PolarHBondContact O-N 3.2Å; S199-R201 PolarHBondContact O-N 3.11Å; S199-R201 PolarHBondContact OG-N 3.22Å
200G90.9Very high93Very high26 Ų2652.4 Ų52.427%0.26827%0.272SS..  trans66.412.2-176.200000114.4N198N198-G200 PolarHBondContact O-N 3.37Å
201R87.3Confident93Very high117 Ų11755.7 Ų55.744%0.44229%0.288SS..  trans-96.4171.7177.7-62.4-170.5179.7-167-0.7111.4K185 S199 G203 R204K185-R201 HydrophobicContact CD-CB 4.07Å; S199-R201 PolarHBondContact O-N 3.11Å; S199-R201 PolarHBondContact OG-N 3.22Å; R201-G203 VanDerWaalsContact C-N 3.3Å; R201-G203 PolarHBondContact O-N 3.47Å; R201-R204 PolarHBondContact O-N 2.98Å
202D83.2Confident92.9Very high119 Ų11954.5 Ų54.564%0.63629%0.291SS*.THydrogen-bonded Turntrans60.433.8177.2-47.1-35.3000114.1K185 R204K185-D202 WeakPolarHBondContact CD-OD2 3.14Å; K185-D202 WeakPolarHBondContact CE-OD2 3.25Å; K185-D202 IonicContact NZ-OD1 3.62Å; K185-D202 PolarHBondContact NZ-OD1 3.26Å; K185-D202 IonicContact NZ-OD2 4Å; K185-D202 PolarHBondContact NZ-OD2 2.96Å; D202-R204 PolarHBondContact O-N 2.95Å
203G83.1Confident92.8Very high84 Ų8455.7 Ų55.787%0.86630%0.304SS*.THydrogen-bonded Turntrans72.46.7179.200000114.8R201R201-G203 VanDerWaalsContact C-N 3.3Å; R201-G203 PolarHBondContact O-N 3.47Å
204R88.2Confident92.4Very high119 Ų11957.8 Ų57.845%0.44932%0.318SS..PPolyproline II helixtrans-78.8134.2176.5-64.6-173.9178.8179.91.5111.1E182 R201 D202E182-R204 VanDerWaalsContact O-CZ 3.25Å; E182-R204 PolarHBondContact O-NH1 2.89Å; E182-R204 PolarHBondContact O-NH2 3.28Å; R201-R204 PolarHBondContact O-N 2.98Å; D202-R204 PolarHBondContact O-N 2.95Å
205P92.6Very high92Very high109 Ų10960 Ų6071%0.70834%0.342SS*.PPolyproline II helixtrans-68.4145.4178.728.8-34.4000111.3L207P205-L207 PolarHBondContact O-N 2.91Å
206R94.6Very high91.8Very high105 Ų10562.1 Ų62.140%0.39635%0.353SS..PPolyproline II helixtrans-67.7124.5173.8-58.2-177.3-169.3-170.51.8109.7T86 Q252 D253T86-R206 HydrophobicContact CG2-CB 3.91Å; R206-Q252 HydrophobicContact CG-CG 4.25Å; R206-D253 IonicContact CZ-OD1 3.85Å; R206-D253 IonicContact CZ-OD2 2.61Å; R206-D253 IonicContact NH1-OD1 3.7Å; R206-D253 IonicContact NH1-OD2 2.9Å; R206-D253 PolarHBondContact NH1-OD2 2.85Å; R206-D253 IonicContact NH2-OD1 2.64Å; R206-D253 PolarHBondContact NH2-OD1 3.32Å; R206-D253 IonicContact NH2-OD2 3.27Å; R206-D253 PolarHBondContact NH2-OD2 3.41Å
207L95.4Very high91.7Very high62 Ų6261.9 Ų61.933%0.32535%0.352SS..PPolyproline II helixtrans-68.9148.8179-61.1177.8000110.7F87 F174 F197 N198 P205F87-L207 WeakPolarHBondContact CB-O 3.17Å; F87-L207 PolarHBondContact N-O 3.42Å; F174-L207 HydrophobicContact CD1-CD1 3.88Å; F174-L207 HydrophobicContact CE1-CB 3.7Å; F174-L207 HydrophobicContact CE1-CD1 3.84Å; F174-L207 HydrophobicContact CE1-CD2 4.36Å; F174-L207 HydrophobicContact CE1-CG 4.18Å; F174-L207 HydrophobicContact CG-CD1 4.33Å; F174-L207 HydrophobicContact CZ-CB 3.76Å; F174-L207 HydrophobicContact CZ-CD1 4.28Å; F197-L207 HydrophobicContact CE1-CD1 3.91Å; F197-L207 HydrophobicContact CE2-CD1 4.36Å; F197-L207 HydrophobicContact CZ-CD1 3.52Å; N198-L207 HydrophobicContact CB-CD1 4.26Å; N198-L207 WeakPolarHBondContact OD1-CB 3.37Å; N198-L207 PolarHBondContact OD1-N 2.88Å; P205-L207 PolarHBondContact O-N 2.91Å
208K94.3Very high91.7Very high88 Ų8861.9 Ų61.938%0.38335%0.352SS..EExtended strand (participates in β ladder)trans-129.2150.4-178.3-58.4-174.7-178.8179.10110.9L85 R175L85-K208 CarbonylContact O-C 3.55Å; L85-K208 VanDerWaalsContact O-CA 3.23Å; L85-K208 WeakPolarHBondContact O-CA 3.39Å; L85-K208 WeakPolarHBondContact O-CB 3.31Å; R175-K208 WeakPolarHBondContact CD-O 3.23Å; R175-K208 PolarHBondContact NH1-O 3.05Å
209T93.4Very high91.7Very high2 Ų264.8 Ų64.81%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-105.9150.5168.2-167.20000111.6Q84 L85 K211 N216 F412 L415Q84-T209 WeakPolarHBondContact CA-O 3.02Å; L85-T209 HydrophobicContact CB-CG2 4.15Å; L85-T209 PolarHBondContact N-O 2.89Å; L85-T209 PolarHBondContact O-N 2.98Å; T209-K211 PolarHBondContact OG1-O 3.27Å; T209-N216 PolarHBondContact OG1-O 2.93Å; T209-F412 HydrophobicContact CG2-CD2 3.34Å; T209-F412 HydrophobicContact CG2-CE2 3.77Å; T209-F412 HydrophobicContact CG2-CG 4.35Å; T209-L415 HydrophobicContact CG2-CD2 3.68Å
210M90.5Very high91.9Very high85 Ų8564 Ų6442%0.41936%0.361SS..SBendtrans-119.7-3.5-177.1-57.4-59.8-59.800112.7S83 Q84 L415S83-M210 WeakPolarHBondContact O-CE 3.4Å; Q84-M210 HydrophobicContact CB-CE 3.94Å; Q84-M210 HydrophobicContact CB-SD 3.46Å; Q84-M210 WeakPolarHBondContact CB-SD 2.94Å; M210-L415 WeakPolarHBondContact O-CD1 3.4Å
211K89.9Confident92.2Very high136 Ų13664.1 Ų64.159%0.59135%0.354SS*.SBendtrans-153150-179.4-66.9-175.6-176.6176.20109.4T209 N216T209-K211 PolarHBondContact OG1-O 3.27Å; K211-N216 HydrophobicContact CB-CB 4.15Å; K211-N216 WeakPolarHBondContact CB-ND2 3.31Å; K211-N216 WeakPolarHBondContact O-CB 3.34Å
212G90.3Very high92.8Very high25 Ų2558.5 Ų58.526%0.25833%0.333SS..  trans-77.5172.1169.600000112.7N216 F412G212-N216 PolarHBondContact O-ND2 2.77Å; G212-F412 CarbonylContact C-O 3.55Å; G212-F412 WeakPolarHBondContact CA-O 3.22Å
213G91.4Very high93.5Very high26 Ų2653.5 Ų53.527%0.26831%0.306SS..SBendtrans92.9161.7176.100000114.9G215 N216 F411 F412G213-G215 PolarHBondContact O-N 3.41Å; G213-N216 PolarHBondContact O-N 3.24Å; G213-F411 VanDerWaalsContact C-CD2 3.42Å; G213-F411 WeakPolarHBondContact O-CB 3.49Å; G213-F412 PolarHBondContact N-O 3.34Å
214T90.8Very high94.2Very high68 Ų6849.5 Ų49.542%0.41727%0.265SS..G310 helixtrans-52.8-46.1-169.551.70000113.8N216 G217 F272 F411T214-N216 PolarHBondContact O-N 3.02Å; T214-N216 VanDerWaalsContact O-N 3.1Å; T214-G217 PolarHBondContact O-N 3.47Å; T214-F272 HydrophobicContact CG2-CD1 3.75Å; T214-F272 HydrophobicContact CG2-CE1 4.04Å; T214-F411 HydrophobicContact CG2-CD1 3.83Å; T214-F411 HydrophobicContact CG2-CE1 3.44Å; T214-F411 VanDerWaalsContact CG2-CE1 3.44Å; T214-F411 HydrophobicContact CG2-CE2 4.21Å; T214-F411 HydrophobicContact CG2-CG 4.38Å; T214-F411 HydrophobicContact CG2-CZ 3.65Å
215G89.3Confident94.6Very high48 Ų4844.8 Ų44.850%0.49525%0.248SC..G310 helixtrans-69.3-6.4-178.800000115.8G213G213-G215 PolarHBondContact O-N 3.41Å
216N93.9Very high94.8Very high49 Ų4943 Ų4326%0.26223%0.231SC..G310 helixtrans-110.411.8179.7-60.4-68.1000112.9R175 T209 K211 G212 G213 T214R175-N216 WeakPolarHBondContact CG-O 3.25Å; T209-N216 PolarHBondContact OG1-O 2.93Å; K211-N216 HydrophobicContact CB-CB 4.15Å; K211-N216 WeakPolarHBondContact CB-ND2 3.31Å; K211-N216 WeakPolarHBondContact O-CB 3.34Å; G212-N216 PolarHBondContact O-ND2 2.77Å; G213-N216 PolarHBondContact O-N 3.24Å; T214-N216 PolarHBondContact O-N 3.02Å; T214-N216 VanDerWaalsContact O-N 3.1Å
217G95.6Very high94.8Very high3 Ų342 Ų423%0.03123%0.233CC..SBendtrans-110.3-156.3177.300000113.3F174 R175 T214 I410F174-G217 WeakPolarHBondContact CA-O 3.35Å; R175-G217 PolarHBondContact N-O 2.97Å; T214-G217 PolarHBondContact O-N 3.47Å; G217-I410 CarbonylContact C-O 3.25Å; G217-I410 WeakPolarHBondContact CA-O 3.4Å
218L98.2Very high94.8Very high2 Ų241.2 Ų41.21%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-95.8125.7169.5177.367.7000108.9F87 V90 H173 F174 F197 I220 D409 I410F87-L218 HydrophobicContact CE1-CB 3.93Å; F87-L218 HydrophobicContact CZ-CB 3.68Å; V90-L218 HydrophobicContact CB-CD2 4.32Å; V90-L218 HydrophobicContact CG1-CD2 4.43Å; V90-L218 HydrophobicContact CG2-CD2 4.24Å; H173-L218 WeakPolarHBondContact O-CA 3.46Å; F174-L218 HydrophobicContact CD2-CB 4.34Å; F197-L218 HydrophobicContact CB-CD2 4.3Å; F197-L218 HydrophobicContact CD1-CD1 4.12Å; F197-L218 HydrophobicContact CD1-CD2 3.72Å; F197-L218 HydrophobicContact CD1-CG 4.43Å; F197-L218 HydrophobicContact CD2-CD1 4.24Å; F197-L218 HydrophobicContact CE1-CD1 3.89Å; F197-L218 HydrophobicContact CE1-CD2 4.21Å; F197-L218 HydrophobicContact CE1-CG 4.45Å; F197-L218 HydrophobicContact CE2-CD1 4.02Å; F197-L218 HydrophobicContact CG-CD1 4.29Å; F197-L218 HydrophobicContact CG-CD2 3.99Å; F197-L218 HydrophobicContact CZ-CD1 3.84Å; L218-I220 HydrophobicContact CD1-CG2 3.79Å; L218-I220 HydrophobicContact CD2-CG2 4.39Å; L218-I220 HydrophobicContact CG-CG2 3.98Å; L218-D409 CarbonylContact O-C 3.51Å; L218-D409 WeakPolarHBondContact O-CA 3.49Å; L218-I410 PolarHBondContact N-O 3.03Å; L218-I410 PolarHBondContact O-N 2.82Å
219E98.2Very high94.7Very high72 Ų7238.4 Ų38.434%0.33622%0.215SC..EExtended strand (participates in β ladder)trans-119.9119.2171.7173.5177.5178.600108C172 H173 V407 L408 D409C172-E219 CarbonylContact C-O 3.53Å; C172-E219 WeakPolarHBondContact CA-O 3.45Å; H173-E219 HydrophobicContact CB-CB 4.42Å; H173-E219 PolarHBondContact N-O 2.01Å; H173-E219 PolarHBondContact O-N 3.46Å; E219-V407 HydrophobicContact CG-CG1 4.39Å; E219-L408 WeakPolarHBondContact CA-O 3.26Å; E219-D409 VanDerWaalsContact CB-OD1 3.31Å; E219-D409 WeakPolarHBondContact CB-OD1 3.22Å; E219-D409 VanDerWaalsContact CG-OD1 3.22Å; E219-D409 WeakPolarHBondContact CG-OD1 3.42Å
220I98.3Very high94.6Very high0 Ų039.6 Ų39.60%022%0.221CC..EExtended strand (participates in β ladder)trans-127.5140.9176.961.7178.6000111.1L92 L169 S171 C172 F184 L218 L222 V407 L408L92-I220 HydrophobicContact CD2-CD1 3.6Å; L169-I220 HydrophobicContact CD1-CB 4.14Å; L169-I220 HydrophobicContact CD1-CG2 4.18Å; S171-I220 WeakPolarHBondContact O-CA 3.45Å; C172-I220 HydrophobicContact CB-CG2 4.27Å; F184-I220 HydrophobicContact CZ-CG2 4.2Å; L218-I220 HydrophobicContact CD1-CG2 3.79Å; L218-I220 HydrophobicContact CD2-CG2 4.39Å; L218-I220 HydrophobicContact CG-CG2 3.98Å; I220-L222 HydrophobicContact CD1-CD1 3.72Å; I220-L222 HydrophobicContact CD1-CG 4.16Å; I220-L222 HydrophobicContact CG1-CD1 4.34Å; I220-L222 HydrophobicContact CG1-CG 4.39Å; I220-V407 CarbonylContact O-C 3.51Å; I220-V407 VanDerWaalsContact O-CA 3.28Å; I220-V407 WeakPolarHBondContact O-CA 3.29Å; I220-L408 HydrophobicContact CD1-CB 4.35Å; I220-L408 HydrophobicContact CD1-CD2 4.14Å; I220-L408 HydrophobicContact CG1-CB 3.83Å; I220-L408 HydrophobicContact CG1-CD2 4.47Å; I220-L408 PolarHBondContact N-O 3.19Å; I220-L408 PolarHBondContact O-N 3.36Å
221M98.3Very high94.4Very high27 Ų2736.2 Ų36.213%0.13321%0.205CC..EExtended strand (participates in β ladder)trans-110.6122.2169.1-174.3178.5-68.200108.3L170 S171 I381 F394 I405 L406 V407L170-M221 HydrophobicContact CB-CB 4.31Å; L170-M221 HydrophobicContact CB-CG 4.15Å; L170-M221 HydrophobicContact CB-SD 4.38Å; L170-M221 HydrophobicContact CD1-CG 4.22Å; L170-M221 HydrophobicContact CD1-SD 4.3Å; L170-M221 PolarHBondContact N-O 3.11Å; S171-M221 PolarHBondContact N-O 3.26Å; S171-M221 PolarHBondContact O-N 3.13Å; S171-M221 WeakPolarHBondContact OG-CB 3.49Å; M221-I381 HydrophobicContact CE-CD1 4.41Å; M221-F394 HydrophobicContact SD-CE2 4.03Å; M221-F394 HydrophobicContact SD-CZ 4.07Å; M221-I405 HydrophobicContact CG-CG2 3.77Å; M221-I405 HydrophobicContact SD-CG2 4.11Å; M221-L406 WeakPolarHBondContact CA-O 3.23Å; M221-V407 HydrophobicContact CB-CG2 4.15Å; M221-V407 HydrophobicContact CE-CG2 3.71Å; M221-V407 HydrophobicContact CG-CG2 3.95Å
222L98.4Very high94Very high0 Ų032.2 Ų32.20%019%0.192CC..EExtended strand (participates in β ladder)trans-118.6145.6-176-66.7171000111.1L92 I165 M168 L169 I220 I245 I405 L406L92-L222 HydrophobicContact CD1-CD1 4.27Å; L92-L222 HydrophobicContact CD2-CD1 4.21Å; I165-L222 HydrophobicContact CD1-CD2 4.36Å; M168-L222 HydrophobicContact CB-CD2 4.19Å; M168-L222 CarbonylContact O-C 3.59Å; M168-L222 VanDerWaalsContact O-CA 3.27Å; M168-L222 WeakPolarHBondContact O-CA 3.41Å; L169-L222 HydrophobicContact CB-CD2 4.31Å; L169-L222 HydrophobicContact CD1-CD2 3.79Å; I220-L222 HydrophobicContact CD1-CD1 3.72Å; I220-L222 HydrophobicContact CD1-CG 4.16Å; I220-L222 HydrophobicContact CG1-CD1 4.34Å; I220-L222 HydrophobicContact CG1-CG 4.39Å; L222-I245 HydrophobicContact CD1-CD1 3.64Å; L222-I405 WeakPolarHBondContact O-CA 3.5Å; L222-L406 HydrophobicContact CB-CD1 3.97Å; L222-L406 HydrophobicContact CB-CG 4.11Å; L222-L406 HydrophobicContact CD1-CD1 4.11Å; L222-L406 HydrophobicContact CG-CD1 4.44Å; L222-L406 PolarHBondContact N-O 3.27Å; L222-L406 PolarHBondContact O-N 3.47Å
223D98.4Very high93.2Very high13 Ų1333.2 Ų33.27%0.0719%0.188CC..EExtended strand (participates in β ladder)trans-104.7116.1164.6-173.5-7.3000108.5M168 L170 Q225 N404 I405M168-D223 WeakPolarHBondContact CG-O 3.27Å; M168-D223 PolarHBondContact O-N 3.27Å; L170-D223 HydrophobicContact CD1-CB 4.15Å; L170-D223 HydrophobicContact CD2-CB 4.27Å; L170-D223 HydrophobicContact CG-CB 4.17Å; D223-Q225 VanDerWaalsContact C-N 3.32Å; D223-Q225 PolarHBondContact OD1-N 2.78Å; D223-N404 WeakPolarHBondContact OD1-CB 3.05Å; D223-I405 HydrophobicContact CB-CD1 3.71Å
224I97.9Very high92.1Very high0 Ų033.7 Ų33.70%019%0.193CC..  trans-79-14.3-178.967.1173.9000113.4N94 Q226 Y229 A243 I245 P267 N404 L406N94-I224 PolarHBondContact ND2-O 3.05Å; I224-Q226 HydrophobicContact CD1-CG 3.66Å; I224-Q226 HydrophobicContact CG1-CG 3.95Å; I224-Y229 WeakPolarHBondContact O-CE1 3.45Å; I224-A243 HydrophobicContact CD1-CB 4.16Å; I224-I245 HydrophobicContact CG2-CG2 3.87Å; I224-P267 HydrophobicContact CD1-CB 3.81Å; I224-P267 HydrophobicContact CD1-CG 3.69Å; I224-N404 HydrophobicContact CG1-CB 4.28Å; I224-N404 WeakPolarHBondContact CG1-O 3.33Å; I224-N404 PolarHBondContact N-O 3.13Å; I224-N404 VanDerWaalsContact N-O 3.08Å; I224-L406 HydrophobicContact CG2-CD2 3.47Å; I224-L406 VanDerWaalsContact CG2-CD2 3.47Å; I224-L406 HydrophobicContact CG2-CG 4.47Å
225Q97.6Very high90.9Very high20 Ų2038.8 Ų38.89%0.09321%0.212CC..  trans58.257176.3-53.2170.8-26.400114H163 D223 D227 E228 Y229H163-Q225 PolarHBondContact ND1-OE1 2.8Å; D223-Q225 VanDerWaalsContact C-N 3.32Å; D223-Q225 PolarHBondContact OD1-N 2.78Å; Q225-D227 WeakPolarHBondContact CA-OD1 3.42Å; Q225-D227 PolarHBondContact O-N 2.92Å; Q225-D227 VanDerWaalsContact O-N 3.1Å; Q225-E228 HydrophobicContact CB-CB 4.3Å; Q225-E228 HydrophobicContact CB-CG 4.36Å; Q225-E228 WeakPolarHBondContact O-CB 3.44Å; Q225-E228 PolarHBondContact O-N 2.9Å; Q225-Y229 VanDerWaalsContact O-CD1 3.31Å; Q225-Y229 WeakPolarHBondContact O-CD1 3.41Å
226Q95.9Very high89.9Confident73 Ų7339.2 Ų39.234%0.34121%0.205SC..G310 helixtrans-58.1-22.7176-67.1-168.839.200113.3I224 E228 Y229 A243 E403 N404I224-Q226 HydrophobicContact CD1-CG 3.66Å; I224-Q226 HydrophobicContact CG1-CG 3.95Å; Q226-E228 PolarHBondContact O-N 2.94Å; Q226-Y229 HydrophobicContact CG-CE1 4.46Å; Q226-Y229 WeakPolarHBondContact O-CB 3.45Å; Q226-Y229 PolarHBondContact O-N 2.7Å; Q226-A243 HydrophobicContact CG-CB 4.19Å; Q226-E403 PolarHBondContact NE2-O 2.93Å; Q226-N404 WeakPolarHBondContact CB-OD1 3.4Å; Q226-N404 VanDerWaalsContact CG-OD1 3.26Å; Q226-N404 WeakPolarHBondContact CG-OD1 3.04Å; Q226-N404 PolarHBondContact N-OD1 2.82Å
227D94.1Very high88.4Confident83 Ų8344 Ų4444%0.44423%0.23SC..G310 helixtrans-65.4-18173.150-35.4000113.8Q225 K396 Y400Q225-D227 WeakPolarHBondContact CA-OD1 3.42Å; Q225-D227 PolarHBondContact O-N 2.92Å; Q225-D227 VanDerWaalsContact O-N 3.1Å; D227-K396 IonicContact OD2-NZ 3.23Å; D227-Y400 HydrophobicContact CB-CE2 4.47Å; D227-Y400 WeakPolarHBondContact OD1-CE2 3.35Å; D227-Y400 PolarHBondContact OD1-OH 2.89Å
228E95.3Very high87Confident45 Ų4546.1 Ų46.121%0.2124%0.24CC..G310 helixtrans-100.53.4176.1-69.5-67.6158.200113.3N96 R99 F100 S101 Q225 Q226N96-E228 PolarHBondContact ND2-O 3.49Å; R99-E228 CarbonylContact C-O 3.54Å; R99-E228 WeakPolarHBondContact CA-O 3.25Å; R99-E228 HydrophobicContact CB-CB 4.1Å; R99-E228 HydrophobicContact CG-CB 4.01Å; R99-E228 HydrophobicContact CG-CG 4.46Å; F100-E228 PolarHBondContact N-O 3.16Å; S101-E228 WeakPolarHBondContact CB-OE1 3.34Å; S101-E228 WeakPolarHBondContact CB-OE2 3.48Å; S101-E228 PolarHBondContact N-OE2 3.19Å; S101-E228 PolarHBondContact OG-OE1 2.64Å; S101-E228 VanDerWaalsContact OG-OE1 3.14Å; S101-E228 PolarHBondContact OG-OE2 3.25Å; Q225-E228 HydrophobicContact CB-CB 4.3Å; Q225-E228 HydrophobicContact CB-CG 4.36Å; Q225-E228 WeakPolarHBondContact O-CB 3.44Å; Q225-E228 PolarHBondContact O-N 2.9Å; Q226-E228 PolarHBondContact O-N 2.94Å
229Y93.9Very high85.6Confident29 Ų2947.2 Ų47.211%0.11425%0.246CC..SBendtrans-69.4144.8-179.2-80.833.4000111.3N94 N96 I224 Q225 Q226 A243N94-Y229 PolarHBondContact OD1-OH 3.34Å; N96-Y229 HydrophobicContact CB-CD1 3.46Å; N96-Y229 VanDerWaalsContact CB-CD1 3.46Å; N96-Y229 HydrophobicContact CB-CD2 3.79Å; N96-Y229 HydrophobicContact CB-CE1 3.44Å; N96-Y229 VanDerWaalsContact CB-CE1 3.44Å; N96-Y229 HydrophobicContact CB-CE2 3.74Å; N96-Y229 HydrophobicContact CB-CG 3.67Å; I224-Y229 WeakPolarHBondContact O-CE1 3.45Å; Q225-Y229 VanDerWaalsContact O-CD1 3.31Å; Q225-Y229 WeakPolarHBondContact O-CD1 3.41Å; Q226-Y229 HydrophobicContact CG-CE1 4.46Å; Q226-Y229 WeakPolarHBondContact O-CB 3.45Å; Q226-Y229 PolarHBondContact O-N 2.7Å; Y229-A243 HydrophobicContact CE2-CB 4.17Å
230L89.8Confident84.4Confident27 Ų2745.3 Ų45.314%0.14124%0.241CC..PPolyproline II helixtrans-65.7137.3173.4-63.6-174.8000110.1N96 F98 F100 V103 L115 L117N96-L230 PolarHBondContact OD1-N 3.34Å; F98-L230 HydrophobicContact CB-CD1 4.22Å; F98-L230 HydrophobicContact CD2-CD1 4.14Å; F98-L230 WeakPolarHBondContact O-CG 3.41Å; F100-L230 HydrophobicContact CB-CD2 4.13Å; F100-L230 HydrophobicContact CD2-CD2 4.09Å; V103-L230 HydrophobicContact CG2-CD2 4.11Å; L115-L230 HydrophobicContact CD1-CD1 4.47Å; L115-L230 HydrophobicContact CD2-CD1 4.14Å; L117-L230 HydrophobicContact CD1-CD2 4.46Å
231P87Confident83.8Confident15 Ų1552.3 Ų52.310%0.09727%0.272CS..PPolyproline II helixtrans-73.5130.9178.633.3-37000110.1F100 L117 W233F100-P231 HydrophobicContact CD2-CG 4.33Å; F100-P231 HydrophobicContact CE2-CG 4.07Å; L117-P231 HydrophobicContact CD2-CG 3.98Å; P231-W233 HydrophobicContact CB-CZ2 4.14Å; P231-W233 HydrophobicContact CG-CZ2 4.15Å
232V80.9Confident83.5Confident51 Ų5156.7 Ų56.731%0.30929%0.292SS..  trans-106.2109.9-171.9-178.70000111.2T239 F241V232-T239 HydrophobicContact CG1-CG2 4.12Å; V232-T239 HydrophobicContact CG2-CG2 4.39Å; V232-F241 HydrophobicContact CG1-CD1 4.25Å; V232-F241 HydrophobicContact CG1-CE1 3.7Å; V232-F241 HydrophobicContact CG1-CZ 4.35Å
233W75Confident83.4Confident47 Ų4758.5 Ų58.518%0.17831%0.306CS..  trans-121.77-179.4-40.7-22.6000113.3I124 P125 A130 L135 L138 P231I124-W233 HydrophobicContact CG2-CE3 4.13Å; I124-W233 HydrophobicContact CG2-CH2 3.81Å; I124-W233 HydrophobicContact CG2-CZ3 3.23Å; P125-W233 WeakPolarHBondContact O-CZ3 3.2Å; A130-W233 HydrophobicContact CB-CD2 4.29Å; A130-W233 HydrophobicContact CB-CE3 4.48Å; A130-W233 HydrophobicContact CB-CH2 3.47Å; A130-W233 VanDerWaalsContact CB-CH2 3.47Å; A130-W233 HydrophobicContact CB-CZ2 3.17Å; A130-W233 HydrophobicContact CB-CZ3 4.06Å; L135-W233 HydrophobicContact CD1-CH2 3.54Å; L135-W233 HydrophobicContact CD1-CZ3 3.98Å; L138-W233 HydrophobicContact CD2-CH2 3.63Å; L138-W233 HydrophobicContact CD2-CZ2 4.09Å; L138-W233 HydrophobicContact CD2-CZ3 4.4Å; P231-W233 HydrophobicContact CB-CZ2 4.14Å; P231-W233 HydrophobicContact CG-CZ2 4.15Å
234G66.8Low83.3Confident35 Ų3557.9 Ų57.936%0.36130%0.303SS..SBendtrans-156.7163.8177.700000111.2T239G234-T239 PolarHBondContact O-OG1 2.93Å
235E66.7Low83.3Confident176 Ų17657.9 Ų57.982%0.82230%0.303SS*.  trans-92117.4176.1-68.9175.4-177.600109.5F241E235-F241 HydrophobicContact CG-CZ 4.17Å
236T67.5Low83.3Confident56 Ų5658.6 Ų58.634%0.34431%0.306SS..  trans-138.5164.4168.458.10000109.7A116 E238 T239A116-T236 HydrophobicContact CB-CG2 3.49Å; A116-T236 VanDerWaalsContact CB-CG2 3.49Å; T236-E238 PolarHBondContact O-N 3.1Å; T236-T239 PolarHBondContact N-OG1 3.31Å; T236-T239 PolarHBondContact O-N 3.34Å; T236-T239 PolarHBondContact O-OG1 3.48Å; T236-T239 VanDerWaalsContact OG1-CG2 3.24Å; T236-T239 WeakPolarHBondContact OG1-CG2 3.33Å; T236-T239 PolarHBondContact OG1-N 2.92Å; T236-T239 PolarHBondContact OG1-OG1 2.03Å; T236-T239 VanDerWaalsContact OG1-OG1 3.05Å
237D62.8Low83.5Confident149 Ų14955.1 Ų55.180%0.79729%0.29SS*.THydrogen-bonded Turntrans-63.8-23.3179.3-58.6-47000112.8
238E66.3Low83.7Confident49 Ų4951.5 Ų51.523%0.22927%0.27CS..THydrogen-bonded Turntrans-91.1-9.3-179.8-56.9-67.9-170.800113.6T236T236-E238 PolarHBondContact O-N 3.1Å
239T68.2Low83.8Confident24 Ų2450.5 Ų50.515%0.14727%0.266CS..  trans-95.4106.7-179.847.40000111.4A116 V232 G234 T236A116-T239 HydrophobicContact CB-CG2 4Å; V232-T239 HydrophobicContact CG1-CG2 4.12Å; V232-T239 HydrophobicContact CG2-CG2 4.39Å; G234-T239 PolarHBondContact O-OG1 2.93Å; T236-T239 PolarHBondContact N-OG1 3.31Å; T236-T239 PolarHBondContact O-N 3.34Å; T236-T239 PolarHBondContact O-OG1 3.48Å; T236-T239 VanDerWaalsContact OG1-CG2 3.24Å; T236-T239 WeakPolarHBondContact OG1-CG2 3.33Å; T236-T239 PolarHBondContact OG1-N 2.92Å; T236-T239 PolarHBondContact OG1-OG1 2.03Å; T236-T239 VanDerWaalsContact OG1-OG1 3.05Å
240S73.4Confident84Confident32 Ų3249.6 Ų49.622%0.22426%0.263CS..  trans-88.8133.3174.163.30000112.2L95L95-S240 PolarHBondContact O-OG 3.47Å
241F86Confident84.2Confident148 Ų14849.1 Ų49.165%0.64926%0.262SS*.  trans-86-12.3171.2-62.6-69000112.7V232 E235V232-F241 HydrophobicContact CG1-CD1 4.25Å; V232-F241 HydrophobicContact CG1-CE1 3.7Å; V232-F241 HydrophobicContact CG1-CZ 4.35Å; E235-F241 HydrophobicContact CG-CZ 4.17Å
242E91.8Very high84.6Confident119 Ų11949 Ų4956%0.55626%0.26SS*.  trans-86.7147.6-176.3-55.991.3164.900112.7L95L95-E242 HydrophobicContact CD1-CB 3.76Å
243A95.6Very high85Confident37 Ų3750 Ų5031%0.30626%0.264SS..  trans-117.7133.6170.700000110.4I224 Q226 Y229 P267I224-A243 HydrophobicContact CD1-CB 4.16Å; Q226-A243 HydrophobicContact CG-CB 4.19Å; Y229-A243 HydrophobicContact CE2-CB 4.17Å; A243-P267 WeakPolarHBondContact O-CD 3.42Å
244G97Very high85.9Confident1 Ų149.9 Ų49.91%0.0127%0.265CS..SBendtrans143-162.9-174.800000111.9N94 L95 V265N94-G244 PolarHBondContact OD1-O 3.25Å; L95-G244 WeakPolarHBondContact CG-O 3.32Å; L95-G244 PolarHBondContact N-O 3.11Å; G244-V265 WeakPolarHBondContact CA-O 3.39Å
245I98.2Very high87.2Confident0 Ų048.6 Ų48.60%025%0.25CS..EExtended strand (participates in β ladder)trans-123.2155.1176.265.1172.8000110.2C93 M168 L222 I224 V247 G264 V265 L406 L408C93-I245 CarbonylContact O-C 3.6Å; C93-I245 VanDerWaalsContact O-CA 3.22Å; C93-I245 WeakPolarHBondContact O-CA 3.27Å; C93-I245 VanDerWaalsContact O-CB 3.26Å; C93-I245 WeakPolarHBondContact O-CB 3.27Å; M168-I245 HydrophobicContact CE-CG2 4.29Å; L222-I245 HydrophobicContact CD1-CD1 3.64Å; I224-I245 HydrophobicContact CG2-CG2 3.87Å; I245-V247 HydrophobicContact CD1-CG2 3.75Å; I245-V247 HydrophobicContact CG1-CG2 3.99Å; I245-G264 WeakPolarHBondContact O-CA 3.39Å; I245-V265 HydrophobicContact CD1-CB 4.31Å; I245-V265 HydrophobicContact CG1-CB 3.76Å; I245-V265 HydrophobicContact CG1-CG1 4.45Å; I245-V265 HydrophobicContact CG1-CG2 4.45Å; I245-V265 PolarHBondContact N-O 2.98Å; I245-V265 VanDerWaalsContact N-O 3.08Å; I245-V265 PolarHBondContact O-N 3.38Å; I245-L406 HydrophobicContact CD1-CD1 3.8Å; I245-L406 HydrophobicContact CD1-CD2 4.27Å; I245-L406 HydrophobicContact CG1-CD1 4.4Å; I245-L406 HydrophobicContact CG1-CD2 4.06Å; I245-L406 HydrophobicContact CG2-CD2 4.22Å; I245-L408 HydrophobicContact CD1-CD2 4.48Å
246K98.1Very high88.7Confident35 Ų3541.1 Ų41.115%0.15222%0.217CC..EExtended strand (participates in β ladder)trans-106.1140.3166.8-152.7164.3178.1176.20109.2L92 C93 L95 Y191 I258 D259 G262 F263L92-K246 VanDerWaalsContact CA-O 3.31Å; L92-K246 WeakPolarHBondContact CA-O 3.23Å; C93-K246 PolarHBondContact N-O 3.43Å; C93-K246 PolarHBondContact O-N 2.65Å; L95-K246 HydrophobicContact CD2-CB 4.08Å; Y191-K246 HydrophobicContact CE2-CD 3.6Å; Y191-K246 WeakPolarHBondContact OH-CD 3.47Å; Y191-K246 PolarHBondContact OH-NZ 3.21Å; K246-I258 HydrophobicContact CB-CD1 4.31Å; K246-I258 HydrophobicContact CB-CG1 4.26Å; K246-I258 WeakPolarHBondContact CD-O 3.31Å; K246-I258 WeakPolarHBondContact CE-O 3.37Å; K246-I258 HydrophobicContact CG-CG1 4.12Å; K246-I258 VanDerWaalsContact O-CD1 3.25Å; K246-I258 WeakPolarHBondContact O-CD1 2.92Å; K246-D259 PolarHBondContact NZ-O 3.4Å; K246-G262 VanDerWaalsContact CE-O 3.27Å; K246-G262 WeakPolarHBondContact CE-O 3.41Å; K246-F263 WeakPolarHBondContact CA-O 3.46Å
247V98.5Very high90Very high0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-132.1135.9-173.9-175.90000110.1V90 T91 L92 I245 G262 F263 V265 L408 I410V90-V247 HydrophobicContact CG1-CG1 3.85Å; T91-V247 CarbonylContact O-C 3.57Å; T91-V247 WeakPolarHBondContact O-CA 3.39Å; L92-V247 HydrophobicContact CB-CG2 4.1Å; I245-V247 HydrophobicContact CD1-CG2 3.75Å; I245-V247 HydrophobicContact CG1-CG2 3.99Å; V247-G262 CarbonylContact O-C 3.56Å; V247-G262 WeakPolarHBondContact O-CA 3.46Å; V247-F263 HydrophobicContact CB-CD1 4.45Å; V247-F263 HydrophobicContact CB-CD2 4.46Å; V247-F263 HydrophobicContact CB-CE1 3.95Å; V247-F263 HydrophobicContact CB-CE2 3.97Å; V247-F263 HydrophobicContact CB-CZ 3.7Å; V247-F263 HydrophobicContact CG1-CE1 3.93Å; V247-F263 HydrophobicContact CG1-CE2 4.4Å; V247-F263 HydrophobicContact CG1-CZ 3.68Å; V247-F263 PolarHBondContact N-O 3.32Å; V247-F263 WeakPolarHBondContact O-CD1 3.41Å; V247-F263 WeakPolarHBondContact O-CE1 3.49Å; V247-F263 PolarHBondContact O-N 3.32Å; V247-V265 HydrophobicContact CG2-CG2 3.86Å; V247-L408 HydrophobicContact CG1-CD2 4.21Å; V247-L408 HydrophobicContact CG2-CD2 3.84Å; V247-I410 HydrophobicContact CG1-CD1 4.36Å
248Q98.4Very high91.5Very high7 Ų731.7 Ų31.73%0.03316%0.164CC..EExtended strand (participates in β ladder)trans-123.7132.9170.9-174-1743.600110T91 H250 P256 I258T91-Q248 PolarHBondContact N-O 3.46Å; T91-Q248 PolarHBondContact O-N 2.9Å; Q248-H250 HydrophobicContact CG-CB 4.39Å; Q248-P256 VanDerWaalsContact OE1-CA 3.28Å; Q248-I258 HydrophobicContact CB-CB 4.27Å; Q248-I258 HydrophobicContact CB-CD1 4.29Å; Q248-I258 HydrophobicContact CB-CG1 3.98Å
249I98.3Very high92.7Very high24 Ų2430.7 Ų30.712%0.12316%0.161CC..EExtended strand (participates in β ladder)trans-106.2119.5172.9-60.4170.1000106.9P88 F263 V273 Y372 I410P88-I249 HydrophobicContact CB-CG2 3.53Å; P88-I249 HydrophobicContact CG-CG2 3.46Å; P88-I249 VanDerWaalsContact CG-CG2 3.46Å; I249-F263 HydrophobicContact CD1-CE1 3.97Å; I249-F263 HydrophobicContact CD1-CZ 4.17Å; I249-F263 HydrophobicContact CG1-CE1 4.09Å; I249-V273 HydrophobicContact CD1-CG1 3.82Å; I249-Y372 HydrophobicContact CG2-CD2 4.06Å; I249-Y372 HydrophobicContact CG2-CG 3.91Å; I249-I410 HydrophobicContact CD1-CD1 4.12Å; I249-I410 HydrophobicContact CD1-CG1 4.34Å; I249-I410 HydrophobicContact CD1-CG2 3.85Å; I249-I410 HydrophobicContact CG1-CD1 4.27Å
250H97.1Very high93.7Very high9 Ų933.7 Ų33.74%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-146.2169.3-173.662.195.7000112.2P88 A89 T91 Q248 E254P88-H250 WeakPolarHBondContact CB-O 3.28Å; A89-H250 PolarHBondContact N-O 2.91Å; A89-H250 PolarHBondContact O-N 2.93Å; T91-H250 PolarHBondContact OG1-NE2 3.11Å; Q248-H250 HydrophobicContact CG-CB 4.39Å; H250-E254 PolarHBondContact CE1-O 3.42Å; H250-E254 VanDerWaalsContact CE1-O 3.26Å; H250-E254 PolarHBondContact ND1-O 2.99Å
251S95.5Very high94.7Very high17 Ų1736.6 Ų36.612%0.11919%0.185CC..  trans-68.7149.9171.5-1740000110.5D253 E254S251-D253 PolarHBondContact O-N 3.35Å; S251-E254 PolarHBondContact O-N 2.93Å; S251-E254 VanDerWaalsContact O-N 3.11Å
252Q94.6Very high95.1Very high13 Ų1330.3 Ų30.36%0.06116%0.162CC..THydrogen-bonded Turntrans-62.4-27.1174.9-69.779.213.200113.1F87 P88 A89 N198 R206 E254F87-Q252 PolarHBondContact O-NE2 3.46Å; P88-Q252 VanDerWaalsContact C-NE2 3.31Å; A89-Q252 HydrophobicContact CB-CG 4.25Å; N198-Q252 PolarHBondContact ND2-NE2 3.06Å; N198-Q252 WeakPolarHBondContact O-CG 3.46Å; N198-Q252 PolarHBondContact O-NE2 2.84Å; R206-Q252 HydrophobicContact CG-CG 4.25Å; Q252-E254 PolarHBondContact O-N 3.43Å
253D90.4Very high95.4Very high73 Ų7325.7 Ų25.739%0.3914%0.141SC..THydrogen-bonded Turntrans-80.9-3.5179.8-56-52.6000112.4R206 S251R206-D253 IonicContact CZ-OD1 3.85Å; R206-D253 IonicContact CZ-OD2 2.61Å; R206-D253 IonicContact NH1-OD1 3.7Å; R206-D253 IonicContact NH1-OD2 2.9Å; R206-D253 PolarHBondContact NH1-OD2 2.85Å; R206-D253 IonicContact NH2-OD1 2.64Å; R206-D253 PolarHBondContact NH2-OD1 3.32Å; R206-D253 IonicContact NH2-OD2 3.27Å; R206-D253 PolarHBondContact NH2-OD2 3.41Å; S251-D253 PolarHBondContact O-N 3.35Å
254E92.6Very high95.5Very high43 Ų4326.3 Ų26.320%0.20115%0.15CC..SBendtrans-111.2127.9-178.8-169.8175.8-173.200110.4H250 S251 Q252 T308H250-E254 PolarHBondContact CE1-O 3.42Å; H250-E254 VanDerWaalsContact CE1-O 3.26Å; H250-E254 PolarHBondContact ND1-O 2.99Å; S251-E254 PolarHBondContact O-N 2.93Å; S251-E254 VanDerWaalsContact O-N 3.11Å; Q252-E254 PolarHBondContact O-N 3.43Å; E254-T308 VanDerWaalsContact CD-OG1 3.32Å; E254-T308 HydrophobicContact CG-CG2 4.5Å; E254-T308 WeakPolarHBondContact CG-OG1 3.44Å; E254-T308 WeakPolarHBondContact OE1-CG2 3.45Å; E254-T308 PolarHBondContact OE1-OG1 3.42Å
255P95Very high95.6Very high8 Ų826.4 Ų26.45%0.05215%0.15CC..  trans-68.7148.6172.629.2-33.4000111.4F302 A309 I312P255-F302 HydrophobicContact CB-CE1 3.86Å; P255-F302 HydrophobicContact CB-CZ 4.3Å; P255-F302 HydrophobicContact CG-CD1 4.38Å; P255-F302 HydrophobicContact CG-CE1 3.92Å; P255-F302 HydrophobicContact CG-CZ 4.17Å; P255-A309 HydrophobicContact CG-CB 3.94Å; P255-I312 HydrophobicContact CB-CD1 4.05Å; P255-I312 HydrophobicContact CG-CD1 3.96Å
256P96.5Very high95.6Very high19 Ų1928.1 Ų28.112%0.12317%0.165CC..  trans-70.4137.6178.728.9-33.1000111.4T91 V187 T189 Q248T91-P256 HydrophobicContact CG2-CB 3.78Å; T91-P256 HydrophobicContact CG2-CG 4.14Å; V187-P256 HydrophobicContact CG1-CG 4.15Å; V187-P256 HydrophobicContact CG2-CG 3.79Å; T189-P256 HydrophobicContact CG2-CG 4.41Å; Q248-P256 VanDerWaalsContact OE1-CA 3.28Å
257F95.3Very high95.6Very high8 Ų827.5 Ų27.54%0.03517%0.165CC..  trans-13461.2176.6-158-121.4000108.8D259 Q260 L261 T308 I312F257-D259 VanDerWaalsContact C-OD1 3.31Å; F257-Q260 HydrophobicContact CD1-CB 3.95Å; F257-Q260 HydrophobicContact CD1-CG 4.28Å; F257-Q260 HydrophobicContact CE1-CB 3.91Å; F257-Q260 HydrophobicContact CE1-CG 3.76Å; F257-Q260 HydrophobicContact CZ-CG 4.38Å; F257-Q260 PolarHBondContact O-N 3.33Å; F257-L261 HydrophobicContact CB-CD1 4.47Å; F257-L261 WeakPolarHBondContact O-CB 3.25Å; F257-L261 PolarHBondContact O-N 2.95Å; F257-T308 HydrophobicContact CB-CG2 3.6Å; F257-T308 HydrophobicContact CD1-CG2 4.39Å; F257-T308 HydrophobicContact CG-CG2 4.22Å; F257-I312 HydrophobicContact CD2-CD1 4.25Å; F257-I312 HydrophobicContact CD2-CG1 4.12Å; F257-I312 HydrophobicContact CE2-CG1 4.28Å
258I95.6Very high95.5Very high0 Ų027.9 Ų27.90%017%0.168CC..Hα-helixtrans-76.2-24-161.9-167.8167.4000113.5T91 C93 T189 Y191 K246 Q248 Q260 G262T91-I258 HydrophobicContact CG2-CD1 4.34Å; C93-I258 HydrophobicContact CB-CD1 4.32Å; T189-I258 HydrophobicContact CG2-CG2 3.88Å; Y191-I258 HydrophobicContact CD2-CG2 3.83Å; Y191-I258 HydrophobicContact CE2-CG2 4.17Å; K246-I258 HydrophobicContact CB-CD1 4.31Å; K246-I258 HydrophobicContact CB-CG1 4.26Å; K246-I258 WeakPolarHBondContact CD-O 3.31Å; K246-I258 WeakPolarHBondContact CE-O 3.37Å; K246-I258 HydrophobicContact CG-CG1 4.12Å; K246-I258 VanDerWaalsContact O-CD1 3.25Å; K246-I258 WeakPolarHBondContact O-CD1 2.92Å; Q248-I258 HydrophobicContact CB-CB 4.27Å; Q248-I258 HydrophobicContact CB-CD1 4.29Å; Q248-I258 HydrophobicContact CB-CG1 3.98Å; I258-Q260 VanDerWaalsContact C-N 3.3Å; I258-Q260 PolarHBondContact O-N 3.5Å; I258-G262 VanDerWaalsContact O-CA 3.3Å; I258-G262 WeakPolarHBondContact O-CA 3.32Å; I258-G262 PolarHBondContact O-N 3.42Å
259D90.1Very high95.5Very high28 Ų2831.4 Ų31.415%0.1518%0.184CC..Hα-helixtrans-57.2-42.4171.959.9-43.5000111.4R190 Y191 K246 F257R190-D259 HydrophobicContact CB-CB 4.34Å; R190-D259 WeakPolarHBondContact CD-OD2 3.47Å; R190-D259 IonicContact NE-OD2 3.73Å; Y191-D259 HydrophobicContact CE2-CB 4.1Å; K246-D259 PolarHBondContact NZ-O 3.4Å; F257-D259 VanDerWaalsContact C-OD1 3.31Å
260Q89.6Confident95.5Very high87 Ų8732.5 Ų32.541%0.40719%0.188SC..Hα-helixtrans-99.5-36-179-62.9-175.123.100114F257 I258 R311F257-Q260 HydrophobicContact CD1-CB 3.95Å; F257-Q260 HydrophobicContact CD1-CG 4.28Å; F257-Q260 HydrophobicContact CE1-CB 3.91Å; F257-Q260 HydrophobicContact CE1-CG 3.76Å; F257-Q260 HydrophobicContact CZ-CG 4.38Å; F257-Q260 PolarHBondContact O-N 3.33Å; I258-Q260 VanDerWaalsContact C-N 3.3Å; I258-Q260 PolarHBondContact O-N 3.5Å; Q260-R311 VanDerWaalsContact NE2-NH2 3.18Å; Q260-R311 VanDerWaalsContact OE1-CZ 3.29Å
261L93.8Very high95.6Very high93 Ų9332 Ų3249%0.48719%0.186SC..Hα-helixtrans-105.8-5.5-171.5-58.3178.7000114.3F257 T308F257-L261 HydrophobicContact CB-CD1 4.47Å; F257-L261 WeakPolarHBondContact O-CB 3.25Å; F257-L261 PolarHBondContact O-N 2.95Å; L261-T308 HydrophobicContact CD1-CG2 3.89Å
262G95.9Very high95.8Very high16 Ų1633.2 Ų33.217%0.16519%0.189CC..  trans-78.5149-179.900000113.7K246 V247 I258K246-G262 VanDerWaalsContact CE-O 3.27Å; K246-G262 WeakPolarHBondContact CE-O 3.41Å; V247-G262 CarbonylContact O-C 3.56Å; V247-G262 WeakPolarHBondContact O-CA 3.46Å; I258-G262 VanDerWaalsContact O-CA 3.3Å; I258-G262 WeakPolarHBondContact O-CA 3.32Å; I258-G262 PolarHBondContact O-N 3.42Å
263F97.8Very high95.9Very high22 Ų2232.6 Ų32.610%0.09619%0.186CC..EExtended strand (participates in β ladder)trans-105.3148.7170.864.4-87.3000110.7K246 V247 I249 V265 V273 K374 L376K246-F263 WeakPolarHBondContact CA-O 3.46Å; V247-F263 HydrophobicContact CB-CD1 4.45Å; V247-F263 HydrophobicContact CB-CD2 4.46Å; V247-F263 HydrophobicContact CB-CE1 3.95Å; V247-F263 HydrophobicContact CB-CE2 3.97Å; V247-F263 HydrophobicContact CB-CZ 3.7Å; V247-F263 HydrophobicContact CG1-CE1 3.93Å; V247-F263 HydrophobicContact CG1-CE2 4.4Å; V247-F263 HydrophobicContact CG1-CZ 3.68Å; V247-F263 PolarHBondContact N-O 3.32Å; V247-F263 WeakPolarHBondContact O-CD1 3.41Å; V247-F263 WeakPolarHBondContact O-CE1 3.49Å; V247-F263 PolarHBondContact O-N 3.32Å; I249-F263 HydrophobicContact CD1-CE1 3.97Å; I249-F263 HydrophobicContact CD1-CZ 4.17Å; I249-F263 HydrophobicContact CG1-CE1 4.09Å; F263-V265 HydrophobicContact CD2-CG2 3.95Å; F263-V265 HydrophobicContact CE2-CG2 3.63Å; F263-V273 HydrophobicContact CE2-CG2 3.98Å; F263-V273 HydrophobicContact CZ-CG1 4.18Å; F263-V273 HydrophobicContact CZ-CG2 4Å; F263-K374 HydrophobicContact CD1-CD 3.77Å; F263-K374 VanDerWaalsContact CD1-CE 3.47Å; F263-K374 HydrophobicContact CE1-CD 3.88Å; F263-K374 HydrophobicContact CG-CD 4.46Å; F263-L376 HydrophobicContact CD2-CD2 3.67Å; F263-L376 HydrophobicContact CE2-CD2 4.06Å; F263-L376 HydrophobicContact CG-CD2 4.38Å
264G97.6Very high96.3Very high49 Ų4930 Ų3051%0.50518%0.175SC..EExtended strand (participates in β ladder)trans-83.1146.217900000113I245I245-G264 WeakPolarHBondContact O-CA 3.39Å
265V98.4Very high96.4Very high3 Ų328.1 Ų28.12%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-129.1122.5173.3-178.70000108.8G244 I245 V247 F263 L406 L408G244-V265 WeakPolarHBondContact CA-O 3.39Å; I245-V265 HydrophobicContact CD1-CB 4.31Å; I245-V265 HydrophobicContact CG1-CB 3.76Å; I245-V265 HydrophobicContact CG1-CG1 4.45Å; I245-V265 HydrophobicContact CG1-CG2 4.45Å; I245-V265 PolarHBondContact N-O 2.98Å; I245-V265 VanDerWaalsContact N-O 3.08Å; I245-V265 PolarHBondContact O-N 3.38Å; V247-V265 HydrophobicContact CG2-CG2 3.86Å; F263-V265 HydrophobicContact CD2-CG2 3.95Å; F263-V265 HydrophobicContact CE2-CG2 3.63Å; V265-L406 HydrophobicContact CG1-CD1 4.09Å; V265-L408 HydrophobicContact CG1-CD1 4.48Å; V265-L408 HydrophobicContact CG2-CD1 4.07Å
266A98.2Very high96.4Very high37 Ų3730.4 Ų30.431%0.30618%0.176SC..  trans-88.3147.5-173.300000112.8F269A266-F269 HydrophobicContact CB-CD2 4.16Å
267P98.1Very high96.3Very high22 Ų2229.9 Ų29.914%0.14317%0.172CC..THydrogen-bonded Turntrans-66.4156.7167.132.5-36.4000112.4I224 A243 F269 E403I224-P267 HydrophobicContact CD1-CB 3.81Å; I224-P267 HydrophobicContact CD1-CG 3.69Å; A243-P267 WeakPolarHBondContact O-CD 3.42Å; P267-F269 VanDerWaalsContact O-CD2 3.28Å; P267-F269 WeakPolarHBondContact O-CD2 3.47Å; P267-F269 PolarHBondContact O-N 2.96Å; P267-E403 WeakPolarHBondContact CB-O 3.09Å; P267-E403 VanDerWaalsContact CG-O 3.3Å; P267-E403 WeakPolarHBondContact CG-O 3.3Å
268G97.8Very high96.3Very high7 Ų731.1 Ų31.17%0.07218%0.178CC..THydrogen-bonded Turntrans787.2-177.700000114.3I381 G402 I405G268-I381 CarbonylContact C-O 3.54Å; G268-I381 VanDerWaalsContact C-O 3.25Å; G268-I381 VanDerWaalsContact CA-O 3.32Å; G268-I381 WeakPolarHBondContact CA-O 3.24Å; G268-I381 PolarHBondContact O-N 3.47Å; G268-G402 VanDerWaalsContact CA-O 3.27Å; G268-G402 WeakPolarHBondContact CA-O 3.46Å; G268-I405 PolarHBondContact N-O 2.91Å
269F98.4Very high96.3Very high82 Ų8235.5 Ų35.536%0.3620%0.195SC..EExtended strand (participates in β ladder)trans-130.4147.6177.4-63.3-85.3000112.4A266 P267 M378 V379 K380 I381 V407A266-F269 HydrophobicContact CB-CD2 4.16Å; P267-F269 VanDerWaalsContact O-CD2 3.28Å; P267-F269 WeakPolarHBondContact O-CD2 3.47Å; P267-F269 PolarHBondContact O-N 2.96Å; F269-M378 HydrophobicContact CB-CB 4.48Å; F269-M378 HydrophobicContact CD1-CB 4.31Å; F269-V379 CarbonylContact C-O 3.57Å; F269-V379 VanDerWaalsContact CA-O 3.29Å; F269-V379 WeakPolarHBondContact CA-O 3.28Å; F269-K380 HydrophobicContact CE1-CB 4.48Å; F269-I381 VanDerWaalsContact C-CG2 3.43Å; F269-V407 PolarHBondContact O-N 3.49Å
270Q98.4Very high96.5Very high46 Ų4634.9 Ų34.922%0.21519%0.191CC..EExtended strand (participates in β ladder)trans-96116.6160.3175.4168.610.900107.5F272 M378 V379 V407 D409Q270-F272 HydrophobicContact CG-CE1 4.17Å; Q270-F272 HydrophobicContact CG-CE2 4.21Å; Q270-F272 HydrophobicContact CG-CZ 3.82Å; Q270-M378 WeakPolarHBondContact O-CA 3.46Å; Q270-V379 HydrophobicContact CB-CG2 3.77Å; Q270-V379 HydrophobicContact CG-CG2 4.3Å; Q270-V379 PolarHBondContact N-O 2.81Å; Q270-V379 PolarHBondContact O-N 2.64Å; Q270-V407 CarbonylContact C-O 3.58Å; Q270-V407 VanDerWaalsContact CA-O 3.29Å; Q270-V407 WeakPolarHBondContact CA-O 3.42Å; Q270-V407 HydrophobicContact CB-CB 3.87Å; Q270-V407 HydrophobicContact CB-CG1 4.4Å; Q270-V407 HydrophobicContact CG-CB 3.79Å; Q270-V407 HydrophobicContact CG-CG1 3.76Å; Q270-D409 VanDerWaalsContact CG-OD2 3.29Å; Q270-D409 WeakPolarHBondContact CG-OD2 3.16Å; Q270-D409 PolarHBondContact NE2-OD2 2.93Å
271T98.6Very high96.7Very high0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-105.2118.7-175.1-58.40000109.8V273 S377 M378 V407 L408 D409T271-V273 HydrophobicContact CG2-CG2 4.08Å; T271-S377 CarbonylContact C-O 3.59Å; T271-S377 WeakPolarHBondContact CA-O 3.37Å; T271-M378 HydrophobicContact CG2-CE 3.98Å; T271-M378 HydrophobicContact CG2-CG 4.02Å; T271-V407 PolarHBondContact N-O 3.04Å; T271-L408 HydrophobicContact CG2-CD1 4.41Å; T271-D409 PolarHBondContact O-N 3.48Å
272F98.4Very high96.8Very high42 Ų4232 Ų3218%0.18417%0.174CC..EExtended strand (participates in β ladder)trans-93.5123.8173.9-56.3-78000109.5T214 Q270 L376 S377 V379 D409 F411T214-F272 HydrophobicContact CG2-CD1 3.75Å; T214-F272 HydrophobicContact CG2-CE1 4.04Å; Q270-F272 HydrophobicContact CG-CE1 4.17Å; Q270-F272 HydrophobicContact CG-CE2 4.21Å; Q270-F272 HydrophobicContact CG-CZ 3.82Å; F272-L376 WeakPolarHBondContact O-CA 3.41Å; F272-S377 PolarHBondContact N-O 3.35Å; F272-S377 PolarHBondContact O-N 2.94Å; F272-V379 HydrophobicContact CE2-CB 4.47Å; F272-V379 HydrophobicContact CE2-CG1 4.03Å; F272-V379 HydrophobicContact CE2-CG2 3.71Å; F272-V379 HydrophobicContact CZ-CG2 4.22Å; F272-D409 HydrophobicContact CD1-CB 3.73Å; F272-D409 HydrophobicContact CE1-CB 4.27Å; F272-D409 WeakPolarHBondContact CE1-OD2 3.17Å; F272-F411 HydrophobicContact CB-CE1 4.06Å; F272-F411 HydrophobicContact CD1-CE1 4.35Å
273V98.4Very high96.6Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-116.993178.6-169.50000108.1I249 F263 T271 C275 K374 E375 L376 L408 D409 I410 F411I249-V273 HydrophobicContact CD1-CG1 3.82Å; F263-V273 HydrophobicContact CE2-CG2 3.98Å; F263-V273 HydrophobicContact CZ-CG1 4.18Å; F263-V273 HydrophobicContact CZ-CG2 4Å; T271-V273 HydrophobicContact CG2-CG2 4.08Å; V273-C275 PolarHBondContact O-N 3.21Å; V273-K374 HydrophobicContact CG1-CB 3.95Å; V273-E375 WeakPolarHBondContact CA-O 3.21Å; V273-L376 HydrophobicContact CG2-CG 4.43Å; V273-L408 HydrophobicContact CG2-CD1 3.72Å; V273-D409 PolarHBondContact N-O 3.32Å; V273-I410 HydrophobicContact CB-CG1 4.04Å; V273-I410 HydrophobicContact CG2-CG1 4.27Å; V273-F411 PolarHBondContact O-N 2.96Å
274A97.3Very high96.4Very high18 Ų1833.8 Ų33.815%0.14918%0.184CC..EExtended strand (participates in β ladder)trans-77.3120.1174.600000108.8K374 E375 F411 E413A274-K374 CarbonylContact O-C 3.57Å; A274-K374 VanDerWaalsContact O-CA 3.31Å; A274-K374 WeakPolarHBondContact O-CA 3.34Å; A274-E375 HydrophobicContact CB-CB 4.48Å; A274-E375 PolarHBondContact N-O 2.88Å; A274-E375 PolarHBondContact O-N 2.76Å; A274-F411 HydrophobicContact CB-CE2 4Å; A274-F411 HydrophobicContact CB-CZ 3.93Å; A274-E413 HydrophobicContact CB-CB 4.49Å
275C96.4Very high96.1Very high4 Ų435.4 Ų35.43%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-108150.5-175.2-620000112V273 G373 F411 F412 E413V273-C275 PolarHBondContact O-N 3.21Å; C275-G373 CarbonylContact C-O 3.48Å; C275-G373 VanDerWaalsContact CA-O 3.25Å; C275-G373 WeakPolarHBondContact CA-O 3.19Å; C275-F411 WeakPolarHBondContact CB-O 3.33Å; C275-F411 PolarHBondContact N-O 2.94Å; C275-F412 HydrophobicContact CB-CD1 4.14Å; C275-F412 HydrophobicContact CB-CE1 4.36Å; C275-F412 WeakPolarHBondContact O-CA 3.32Å; C275-F412 WeakPolarHBondContact O-CD1 3Å; C275-E413 PolarHBondContact O-N 3.05Å
276Q94.6Very high95.9Very high56 Ų5638.6 Ų38.626%0.26221%0.206SC..EExtended strand (participates in β ladder)trans-132.6126.6170.3-169.6179.334.900109.7Y372 G373Q276-Y372 CarbonylContact O-C 3.47Å; Q276-Y372 WeakPolarHBondContact O-CA 3.39Å; Q276-G373 PolarHBondContact N-O 3.31Å; Q276-G373 PolarHBondContact O-N 2.88Å
277E94.7Very high95.5Very high8 Ų839.2 Ų39.24%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-75.5125.7175.7-173.5-175.8149.700109.8R279 T370 Y372 F412 Y417 E418E277-R279 IonicContact OE1-CZ 3.88Å; E277-R279 VanDerWaalsContact OE1-CZ 3.23Å; E277-R279 IonicContact OE1-NE 3.6Å; E277-R279 PolarHBondContact OE1-NE 2.97Å; E277-R279 IonicContact OE1-NH2 2.86Å; E277-R279 PolarHBondContact OE1-NH2 3.44Å; E277-R279 IonicContact OE2-NH2 3.07Å; E277-T370 HydrophobicContact CG-CG2 3.71Å; E277-Y372 HydrophobicContact CB-CD1 4.42Å; E277-Y372 HydrophobicContact CB-CE1 4.19Å; E277-Y372 HydrophobicContact CG-CE1 4.07Å; E277-F412 HydrophobicContact CB-CE1 4.05Å; E277-Y417 VanDerWaalsContact O-CA 3.3Å; E277-Y417 WeakPolarHBondContact O-CA 3.31Å; E277-E418 PolarHBondContact O-N 3.21Å
278Q95.1Very high95.1Very high34 Ų3439 Ų3916%0.15920%0.203CC..EExtended strand (participates in β ladder)trans-118.8121.2176.5-59.7-177.7-49.100109L280 T370 R371 E418Q278-L280 HydrophobicContact CB-CD1 4.15Å; Q278-T370 CarbonylContact O-C 3.58Å; Q278-T370 WeakPolarHBondContact O-CA 3.46Å; Q278-R371 HydrophobicContact CB-CB 4.4Å; Q278-R371 PolarHBondContact N-O 3.11Å; Q278-R371 PolarHBondContact O-N 3.06Å; Q278-E418 CarbonylContact C-O 3.51Å; Q278-E418 WeakPolarHBondContact CA-O 3.05Å; Q278-E418 HydrophobicContact CG-CB 4.28Å; Q278-E418 PolarHBondContact NE2-OE2 2.82Å
279R95.1Very high94.7Very high91 Ų9144.3 Ų44.334%0.34323%0.234SC..EExtended strand (participates in β ladder)trans-102.2114.8174.6-65.3-175.4-175163.68.8109.1E277 Y417 E418 T419 I420E277-R279 IonicContact OE1-CZ 3.88Å; E277-R279 VanDerWaalsContact OE1-CZ 3.23Å; E277-R279 IonicContact OE1-NE 3.6Å; E277-R279 PolarHBondContact OE1-NE 2.97Å; E277-R279 IonicContact OE1-NH2 2.86Å; E277-R279 PolarHBondContact OE1-NH2 3.44Å; E277-R279 IonicContact OE2-NH2 3.07Å; R279-Y417 HydrophobicContact CG-CD2 4.44Å; R279-E418 PolarHBondContact N-O 2.86Å; R279-T419 WeakPolarHBondContact O-CA 3.43Å; R279-I420 PolarHBondContact O-N 3.23Å
280L94.3Very high94.4Very high15 Ų1540.6 Ų40.68%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-105.6125.9-178.9-54.189.7000109.1Q278 Y282 L369 R371 I420Q278-L280 HydrophobicContact CB-CD1 4.15Å; L280-Y282 HydrophobicContact CB-CD2 4.28Å; L280-Y282 HydrophobicContact CB-CE2 3.49Å; L280-Y282 VanDerWaalsContact CB-CE2 3.49Å; L280-Y282 HydrophobicContact CD2-CE2 4.16Å; L280-Y282 WeakPolarHBondContact CD2-OH 3.5Å; L280-Y282 HydrophobicContact CG-CE2 4.48Å; L280-L369 HydrophobicContact CB-CD2 4.01Å; L280-L369 HydrophobicContact CB-CG 4.02Å; L280-L369 HydrophobicContact CD1-CD1 4.41Å; L280-L369 HydrophobicContact CD1-CG 4.25Å; L280-L369 PolarHBondContact N-O 3Å; L280-L369 PolarHBondContact O-N 2.75Å; L280-R371 HydrophobicContact CD1-CB 3.7Å; L280-I420 WeakPolarHBondContact CA-O 3.38Å; L280-I420 HydrophobicContact CD2-CD1 4.43Å; L280-I420 HydrophobicContact CG-CB 4.37Å; L280-I420 HydrophobicContact CG-CD1 4.49Å
281I94.8Very high93.7Very high57 Ų5741.3 Ų41.329%0.29222%0.22SC..EExtended strand (participates in β ladder)trans-120.9113.6179.9-57.1172.5000107.8C367 T419 I420 E421 Q422I281-C367 CarbonylContact C-O 3.56Å; I281-C367 VanDerWaalsContact CA-O 3.28Å; I281-C367 WeakPolarHBondContact CA-O 3.29Å; I281-T419 HydrophobicContact CD1-CG2 4.31Å; I281-I420 PolarHBondContact N-O 3.05Å; I281-E421 HydrophobicContact CB-CB 4.26Å; I281-E421 HydrophobicContact CB-CG 4.02Å; I281-E421 HydrophobicContact CD1-CG 4.43Å; I281-E421 HydrophobicContact CG2-CG 4.14Å; I281-E421 WeakPolarHBondContact O-CA 3.27Å; I281-Q422 PolarHBondContact O-N 2.83Å
282Y94.3Very high92.8Very high64 Ų6443.9 Ų43.925%0.25124%0.242SC..  trans-104.4160.6-178.7-65.4-88.6000111.5L280 C290 M365 C367 L369 Q422L280-Y282 HydrophobicContact CB-CD2 4.28Å; L280-Y282 HydrophobicContact CB-CE2 3.49Å; L280-Y282 VanDerWaalsContact CB-CE2 3.49Å; L280-Y282 HydrophobicContact CD2-CE2 4.16Å; L280-Y282 WeakPolarHBondContact CD2-OH 3.5Å; L280-Y282 HydrophobicContact CG-CE2 4.48Å; Y282-C290 VanDerWaalsContact C-SG 3.55Å; Y282-C290 PolarHBondContact O-SG 2.92Å; Y282-M365 HydrophobicContact CD1-CE 4.41Å; Y282-M365 HydrophobicContact CD2-CE 3.76Å; Y282-M365 HydrophobicContact CE1-CE 3.95Å; Y282-M365 HydrophobicContact CE2-CE 3.21Å; Y282-M365 HydrophobicContact CG-CE 4.33Å; Y282-C367 PolarHBondContact N-O 3.2Å; Y282-L369 HydrophobicContact CD2-CD2 3.57Å; Y282-L369 HydrophobicContact CE2-CD2 3.38Å; Y282-L369 HydrophobicContact CE2-CG 4.42Å; Y282-Q422 HydrophobicContact CD1-CG 4.27Å
283L92.9Very high91.4Very high24 Ų2445.2 Ų45.213%0.12625%0.253CS..PPolyproline II helixtrans-96.8139.1175.9-68.1171.9000112.1H73 W287 G288 C290 Q422 K424H73-L283 HydrophobicContact CB-CD1 3.84Å; L283-W287 HydrophobicContact CB-CB 3.85Å; L283-W287 HydrophobicContact CD1-CB 3.92Å; L283-W287 HydrophobicContact CD1-CG 4.45Å; L283-G288 CarbonylContact O-C 3.58Å; L283-G288 WeakPolarHBondContact O-CA 3.3Å; L283-G288 PolarHBondContact O-N 3.39Å; L283-C290 PolarHBondContact O-SG 2.99Å; L283-Q422 HydrophobicContact CD1-CB 4.08Å; L283-Q422 HydrophobicContact CG-CB 3.88Å; L283-Q422 WeakPolarHBondContact CG-O 3.25Å; L283-Q422 VanDerWaalsContact N-OE1 3.12Å; L283-K424 HydrophobicContact CD1-CG 3.9Å; L283-K424 HydrophobicContact CD2-CG 4.39Å
284P93.6Very high89.9Confident51 Ų5149 Ų4933%0.33128%0.276SS..PPolyproline II helixtrans-72.9167.9175.730.9-35.7000111.4W287 G288P284-W287 PolarHBondContact O-N 2.85Å; P284-W287 VanDerWaalsContact O-N 3.07Å; P284-G288 CarbonylContact C-O 3.56Å; P284-G288 PolarHBondContact O-N 2.79Å; P284-G288 VanDerWaalsContact O-N 3.14Å
285P91.7Very high87.9Confident82 Ų8257.2 Ų57.253%0.53231%0.314SS..THydrogen-bonded Turntrans-52.2141.2169.5-25.833.7000112G288 C290P285-G288 WeakPolarHBondContact CA-O 3.31Å; P285-G288 WeakPolarHBondContact CD-O 3.22Å; P285-G288 WeakPolarHBondContact CG-O 3.2Å; P285-G288 VanDerWaalsContact N-O 3.12Å; P285-C290 WeakPolarHBondContact CD-O 3.27Å
286P92.8Very high85.9Confident71 Ų7163.7 Ų63.746%0.46135%0.348SS..THydrogen-bonded Turncis-86.6-0.75.135-38.8000115.9Y71Y71-P286 HydrophobicContact CD1-CB 4.15Å; Y71-P286 HydrophobicContact CD1-CG 3.59Å; Y71-P286 HydrophobicContact CD2-CB 3.9Å; Y71-P286 HydrophobicContact CD2-CG 4.21Å; Y71-P286 HydrophobicContact CE1-CB 4.19Å; Y71-P286 HydrophobicContact CE1-CG 3.45Å; Y71-P286 VanDerWaalsContact CE1-CG 3.45Å; Y71-P286 HydrophobicContact CE2-CB 3.94Å; Y71-P286 HydrophobicContact CE2-CG 4.1Å; Y71-P286 HydrophobicContact CG-CB 4.01Å; Y71-P286 HydrophobicContact CG-CG 3.97Å
287W90.6Very high84.2Confident50 Ų5062.1 Ų62.119%0.18934%0.343CS..THydrogen-bonded Turntrans-81.3-26.7-176.9-66.9-84.8000113.5Y71 H73 L283 P284 K424Y71-W287 HydrophobicContact CD1-CD2 4.4Å; Y71-W287 AromaticContact CD1-CE2 3.9Å; Y71-W287 HydrophobicContact CD1-CZ2 4.28Å; Y71-W287 AromaticContact CD1-NE1 3.74Å; H73-W287 PolarHBondContact CE1-O 2.61Å; H73-W287 PolarHBondContact ND1-O 2.99Å; L283-W287 HydrophobicContact CB-CB 3.85Å; L283-W287 HydrophobicContact CD1-CB 3.92Å; L283-W287 HydrophobicContact CD1-CG 4.45Å; P284-W287 PolarHBondContact O-N 2.85Å; P284-W287 VanDerWaalsContact O-N 3.07Å; W287-K424 HydrophobicContact CD2-CD 4.1Å; W287-K424 HydrophobicContact CD2-CG 4.27Å; W287-K424 HydrophobicContact CG-CG 4.19Å; W287-K424 HydrophobicContact CH2-CD 4.48Å; W287-K424 VanDerWaalsContact CH2-NZ 3.33Å; W287-K424 HydrophobicContact CZ2-CD 3.92Å
288G90.2Very high83Confident18 Ų1867.7 Ų67.719%0.18637%0.373CS..  trans-151.3-160175.900000111L283 P284 P285L283-G288 CarbonylContact O-C 3.58Å; L283-G288 WeakPolarHBondContact O-CA 3.3Å; L283-G288 PolarHBondContact O-N 3.39Å; P284-G288 CarbonylContact C-O 3.56Å; P284-G288 PolarHBondContact O-N 2.79Å; P284-G288 VanDerWaalsContact O-N 3.14Å; P285-G288 WeakPolarHBondContact CA-O 3.31Å; P285-G288 WeakPolarHBondContact CD-O 3.22Å; P285-G288 WeakPolarHBondContact CG-O 3.2Å; P285-G288 VanDerWaalsContact N-O 3.12Å
289T89.1Confident82.2Confident118 Ų11867.1 Ų67.172%0.72437%0.371SS*.  trans-125.717.2-171.756.60000112.9
290C91.3Very high81.5Confident4 Ų468.4 Ų68.43%0.02739%0.385CS..PPolyproline II helixtrans-84.2146.3-177.171.90000112.9Y282 L283 P285 M365 C367Y282-C290 VanDerWaalsContact C-SG 3.55Å; Y282-C290 PolarHBondContact O-SG 2.92Å; L283-C290 PolarHBondContact O-SG 2.99Å; P285-C290 WeakPolarHBondContact CD-O 3.27Å; C290-M365 CarbonylContact C-O 3.49Å; C290-M365 WeakPolarHBondContact CA-O 3.34Å; C290-M365 VanDerWaalsContact CB-O 3.26Å; C290-M365 WeakPolarHBondContact CB-O 3.47Å; C290-C367 VanDerWaalsContact C-SG 3.54Å; C290-C367 HydrophobicContact CB-CB 3.94Å; C290-C367 WeakPolarHBondContact CB-SG 3.19Å; C290-C367 PolarHBondContact O-SG 3.27Å; C290-C367 WeakPolarHBondContact SG-CA 3.44Å; C290-C367 WeakPolarHBondContact SG-CB 3.45Å; C290-C367 CovalentContact SG-SG 2.03Å; C290-C367 PolarHBondContact SG-SG 3.49Å
291K84.7Confident81.1Confident60 Ų6071.5 Ų71.526%0.26140%0.398SS..BIsolated β-bridgetrans-81.8122.2169.9-170172.1-177.4175.70109.1V293 D298 Y305 E364 M365 P366 C367K291-V293 PolarHBondContact O-N 2.9Å; K291-D298 IonicContact NZ-OD2 3.21Å; K291-D298 PolarHBondContact NZ-OD2 3.19Å; K291-Y305 HydrophobicContact CB-CE1 4.47Å; K291-Y305 HydrophobicContact CD-CE1 4.45Å; K291-Y305 HydrophobicContact CD-CE2 4.24Å; K291-E364 HydrophobicContact CB-CB 4.09Å; K291-M365 PolarHBondContact N-O 2.77Å; K291-P366 WeakPolarHBondContact O-CA 3.47Å; K291-C367 PolarHBondContact O-N 2.78Å; K291-C367 PolarHBondContact O-SG 3.03Å; K291-C367 VanDerWaalsContact O-SG 3.36Å
292A79.3Confident80.7Confident55 Ų5570.5 Ų70.546%0.45539%0.391SS..PPolyproline II helixtrans-69122.6172.600000108.8T294A292-T294 PolarHBondContact O-N 3.07Å
293V69.3Low80.3Confident70 Ų7075.2 Ų75.242%0.42442%0.421SS..  trans-68.3103.2177.5-174.80000107.6K291 P366K291-V293 PolarHBondContact O-N 2.9Å; V293-P366 HydrophobicContact CG2-CB 3.9Å
294T66.9Low80Confident79 Ų7976.4 Ų76.449%0.48543%0.431SS..  trans-97.6159.2170.960.30000108.9A292 D296 S297A292-T294 PolarHBondContact O-N 3.07Å; T294-D296 PolarHBondContact O-N 3.46Å; T294-S297 PolarHBondContact O-N 3.33Å
295M55.2Low79.7Confident190 Ų19075 Ų7594%0.93642%0.419SS*.SBendtrans-66-16.5178.5-67.5-76.512100112.8
296D54.1Low79.7Confident140 Ų14071.6 Ų71.675%0.74940%0.398SS*.SBendtrans-96.860169.9-105.2-14.9000108.7T294 D298T294-D296 PolarHBondContact O-N 3.46Å; D296-D298 PolarHBondContact O-N 2.91Å
297S58.8Low79.6Confident23 Ų2370.9 Ų70.916%0.16139%0.389CS..  trans-67.7116.6168.642.50000108.2T294 L299T294-S297 PolarHBondContact O-N 3.33Å; S297-L299 PolarHBondContact O-N 3.04Å
298D68.6Low79.7Confident125 Ų12568.7 Ų68.767%0.66838%0.382SS*.  trans-6247.5176.3-41.6-75.3000113.4K291 D296K291-D298 IonicContact NZ-OD2 3.21Å; K291-D298 PolarHBondContact NZ-OD2 3.19Å; D296-D298 PolarHBondContact O-N 2.91Å
299L78.9Confident79.9Confident23 Ų2367.8 Ų67.812%0.1237%0.373CS..  trans-110.3131.8176.3-65179.4000108.3S297 F301 F302 Y305 A309 C310 D313S297-L299 PolarHBondContact O-N 3.04Å; L299-F301 VanDerWaalsContact C-N 3.31Å; L299-F302 HydrophobicContact CD1-CB 4.09Å; L299-Y305 HydrophobicContact CD1-CD2 3.94Å; L299-Y305 HydrophobicContact CD2-CD2 4.28Å; L299-Y305 HydrophobicContact CG-CD2 4.19Å; L299-A309 HydrophobicContact CD1-CB 4Å; L299-C310 HydrophobicContact CD2-CB 4.41Å; L299-D313 HydrophobicContact CD2-CB 4.13Å
300D80.1Confident80Confident118 Ų11863 Ų6363%0.63134%0.344SS*.SBendtrans-76.1-26.2-177.5-69.9-31.5000111.3D313D300-D313 PolarHBondContact N-OD1 2.93Å; D300-D313 VanDerWaalsContact N-OD1 3.1Å
301F85.9Confident80Confident79 Ų7966 Ų6635%0.34636%0.355SS..SBendtrans-123.5-6.9-166.7-55.9-60.3000116.8L299 D313 T316 P331L299-F301 VanDerWaalsContact C-N 3.31Å; F301-D313 WeakPolarHBondContact CD2-OD1 3.06Å; F301-T316 HydrophobicContact CE2-CG2 3.92Å; F301-T316 HydrophobicContact CZ-CG2 4.38Å; F301-P331 HydrophobicContact CB-CB 3.71Å; F301-P331 HydrophobicContact CB-CG 3.56Å; F301-P331 HydrophobicContact CD1-CB 4.28Å; F301-P331 HydrophobicContact CD1-CG 4.47Å; F301-P331 HydrophobicContact CD2-CB 4.48Å; F301-P331 HydrophobicContact CD2-CG 3.8Å; F301-P331 HydrophobicContact CG-CB 3.9Å; F301-P331 HydrophobicContact CG-CG 3.68Å
302F87Confident80.4Confident36 Ų3663.9 Ų63.916%0.15835%0.346CS..  trans-133.2137.8-174.2-62.4-80.8000112.4P255 L299 S304 A309 I312 P331P255-F302 HydrophobicContact CB-CE1 3.86Å; P255-F302 HydrophobicContact CB-CZ 4.3Å; P255-F302 HydrophobicContact CG-CD1 4.38Å; P255-F302 HydrophobicContact CG-CE1 3.92Å; P255-F302 HydrophobicContact CG-CZ 4.17Å; L299-F302 HydrophobicContact CD1-CB 4.09Å; F302-S304 VanDerWaalsContact C-N 3.28Å; F302-S304 PolarHBondContact O-N 3.41Å; F302-A309 HydrophobicContact CB-CB 4.1Å; F302-A309 HydrophobicContact CD1-CB 4.42Å; F302-A309 HydrophobicContact CD2-CB 3.78Å; F302-A309 HydrophobicContact CE2-CB 4.28Å; F302-A309 HydrophobicContact CG-CB 3.85Å; F302-I312 HydrophobicContact CE2-CB 4.13Å; F302-I312 HydrophobicContact CE2-CG2 4Å; F302-I312 HydrophobicContact CZ-CB 4.24Å; F302-I312 HydrophobicContact CZ-CD1 4.44Å; F302-I312 HydrophobicContact CZ-CG2 3.91Å; F302-P331 HydrophobicContact CE2-CG 4.01Å; F302-P331 HydrophobicContact CZ-CG 4.02Å
303D84.6Confident81.1Confident164 Ų16461.9 Ų61.988%0.87733%0.328SS*.SBendtrans-72.2-18.5-178.6-57.4-43.5000114
304S86.5Confident82.1Confident48 Ų4859 Ų5934%0.33631%0.31SS..SBendtrans-138.5131.2-173.3-68.80000110.5F302 S306F302-S304 VanDerWaalsContact C-N 3.28Å; F302-S304 PolarHBondContact O-N 3.41Å; S304-S306 PolarHBondContact O-N 2.04Å
305Y89.1Confident83.3Confident21 Ų2155.5 Ų55.58%0.08229%0.288CS..  trans-72.7121.4178.3-175.8-92.1000111.5K291 L299 C310 E364 P366K291-Y305 HydrophobicContact CB-CE1 4.47Å; K291-Y305 HydrophobicContact CD-CE1 4.45Å; K291-Y305 HydrophobicContact CD-CE2 4.24Å; L299-Y305 HydrophobicContact CD1-CD2 3.94Å; L299-Y305 HydrophobicContact CD2-CD2 4.28Å; L299-Y305 HydrophobicContact CG-CD2 4.19Å; Y305-C310 HydrophobicContact CD2-CB 4.5Å; Y305-C310 HydrophobicContact CE2-CB 3.7Å; Y305-E364 VanDerWaalsContact CE1-O 3.31Å; Y305-E364 WeakPolarHBondContact CE1-O 3.04Å; Y305-E364 PolarHBondContact OH-N 2.78Å; Y305-E364 PolarHBondContact OH-O 3.48Å; Y305-P366 HydrophobicContact CD1-CB 4.03Å; Y305-P366 HydrophobicContact CE1-CB 4.25Å
306S91.4Very high85.2Confident11 Ų1146.5 Ų46.58%0.07724%0.244CC..  trans-134165164.375.90000109.1S304 T308 A309 C310S304-S306 PolarHBondContact O-N 2.04Å; S306-T308 VanDerWaalsContact C-N 3.28Å; S306-T308 PolarHBondContact O-N 2.85Å; S306-T308 PolarHBondContact OG-OG1 2.93Å; S306-A309 PolarHBondContact O-N 2.04Å; S306-A309 VanDerWaalsContact OG-CB 3.26Å; S306-A309 WeakPolarHBondContact OG-CB 3.27Å; S306-A309 PolarHBondContact OG-N 2.91Å; S306-C310 WeakPolarHBondContact O-CB 3.48Å; S306-C310 PolarHBondContact O-N 3.29Å
307I90.4Very high87.1Confident56 Ų5643.8 Ų43.829%0.28722%0.224SC..Hα-helixtrans-61.4-42.3177.9-57.2168.8000110.3C310 R311 M365I307-C310 PolarHBondContact O-N 3.02Å; I307-R311 WeakPolarHBondContact O-CG 3.39Å; I307-R311 PolarHBondContact O-N 3.36Å; I307-M365 HydrophobicContact CD1-CG 3.56Å; I307-M365 HydrophobicContact CG1-CG 4.31Å
308T92.8Very high88.7Confident4 Ų443.8 Ų43.83%0.02522%0.22CC..Hα-helixtrans-68.1-39.8178.244.70000112.4E254 F257 L261 S306 R311 I312E254-T308 VanDerWaalsContact CD-OG1 3.32Å; E254-T308 HydrophobicContact CG-CG2 4.5Å; E254-T308 WeakPolarHBondContact CG-OG1 3.44Å; E254-T308 WeakPolarHBondContact OE1-CG2 3.45Å; E254-T308 PolarHBondContact OE1-OG1 3.42Å; F257-T308 HydrophobicContact CB-CG2 3.6Å; F257-T308 HydrophobicContact CD1-CG2 4.39Å; F257-T308 HydrophobicContact CG-CG2 4.22Å; L261-T308 HydrophobicContact CD1-CG2 3.89Å; S306-T308 VanDerWaalsContact C-N 3.28Å; S306-T308 PolarHBondContact O-N 2.85Å; S306-T308 PolarHBondContact OG-OG1 2.93Å; T308-R311 PolarHBondContact O-N 3.01Å; T308-I312 VanDerWaalsContact O-CG1 3.3Å; T308-I312 WeakPolarHBondContact O-CG1 3.21Å; T308-I312 PolarHBondContact O-N 3.03Å
309A92.9Very high89.9Confident0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-61.8-46.4174.600000111.3P255 L299 F302 S306 R311 I312 D313P255-A309 HydrophobicContact CG-CB 3.94Å; L299-A309 HydrophobicContact CD1-CB 4Å; F302-A309 HydrophobicContact CB-CB 4.1Å; F302-A309 HydrophobicContact CD1-CB 4.42Å; F302-A309 HydrophobicContact CD2-CB 3.78Å; F302-A309 HydrophobicContact CE2-CB 4.28Å; F302-A309 HydrophobicContact CG-CB 3.85Å; S306-A309 PolarHBondContact O-N 2.04Å; S306-A309 VanDerWaalsContact OG-CB 3.26Å; S306-A309 WeakPolarHBondContact OG-CB 3.27Å; S306-A309 PolarHBondContact OG-N 2.91Å; A309-R311 VanDerWaalsContact C-N 3.33Å; A309-R311 PolarHBondContact O-N 3.21Å; A309-I312 PolarHBondContact O-N 3.33Å; A309-D313 WeakPolarHBondContact O-CB 3.31Å; A309-D313 PolarHBondContact O-N 2.6Å
310C91.8Very high90.7Very high17 Ų1739 Ų3912%0.11520%0.197CC..Hα-helixtrans-58.6-42.9175.3173.20000112.6L299 Y305 S306 I307 C314 C363L299-C310 HydrophobicContact CD2-CB 4.41Å; Y305-C310 HydrophobicContact CD2-CB 4.5Å; Y305-C310 HydrophobicContact CE2-CB 3.7Å; S306-C310 WeakPolarHBondContact O-CB 3.48Å; S306-C310 PolarHBondContact O-N 3.29Å; I307-C310 PolarHBondContact O-N 3.02Å; C310-C314 WeakPolarHBondContact O-CB 3.47Å; C310-C314 PolarHBondContact O-N 3.03Å; C310-C363 HydrophobicContact CB-CB 3.8Å; C310-C363 WeakPolarHBondContact CB-SG 3.32Å; C310-C363 WeakPolarHBondContact SG-CA 3.34Å; C310-C363 WeakPolarHBondContact SG-CB 3.22Å; C310-C363 CovalentContact SG-SG 2.05Å; C310-C363 PolarHBondContact SG-SG 3.35Å
311R91.7Very high91.4Very high68 Ų6838.5 Ų38.526%0.25719%0.19SC..Hα-helixtrans-66.4-46.6178.8-75.2-175.365.2-175.7-1.5112.4Q260 I307 T308 A309 D313 C314 E315 C363Q260-R311 VanDerWaalsContact NE2-NH2 3.18Å; Q260-R311 VanDerWaalsContact OE1-CZ 3.29Å; I307-R311 WeakPolarHBondContact O-CG 3.39Å; I307-R311 PolarHBondContact O-N 3.36Å; T308-R311 PolarHBondContact O-N 3.01Å; A309-R311 VanDerWaalsContact C-N 3.33Å; A309-R311 PolarHBondContact O-N 3.21Å; R311-D313 VanDerWaalsContact C-N 3.31Å; R311-D313 PolarHBondContact O-N 3.46Å; R311-C314 PolarHBondContact O-N 2.93Å; R311-E315 IonicContact NH2-OE1 3.77Å; R311-E315 WeakPolarHBondContact O-CB 3.45Å; R311-E315 WeakPolarHBondContact O-CG 3.5Å; R311-E315 PolarHBondContact O-N 3.46Å; R311-C363 HydrophobicContact CG-CB 4.34Å; R311-C363 PolarHBondContact N-SG 2.99Å
312I93.4Very high91.8Very high14 Ų1438.8 Ų38.87%0.07220%0.195CC..Hα-helixtrans-62.8-42.1178.3-66.7166.3000110.4P255 F257 F302 T308 A309 T316 P331P255-I312 HydrophobicContact CB-CD1 4.05Å; P255-I312 HydrophobicContact CG-CD1 3.96Å; F257-I312 HydrophobicContact CD2-CD1 4.25Å; F257-I312 HydrophobicContact CD2-CG1 4.12Å; F257-I312 HydrophobicContact CE2-CG1 4.28Å; F302-I312 HydrophobicContact CE2-CB 4.13Å; F302-I312 HydrophobicContact CE2-CG2 4Å; F302-I312 HydrophobicContact CZ-CB 4.24Å; F302-I312 HydrophobicContact CZ-CD1 4.44Å; F302-I312 HydrophobicContact CZ-CG2 3.91Å; T308-I312 VanDerWaalsContact O-CG1 3.3Å; T308-I312 WeakPolarHBondContact O-CG1 3.21Å; T308-I312 PolarHBondContact O-N 3.03Å; A309-I312 PolarHBondContact O-N 3.33Å; I312-T316 VanDerWaalsContact O-CB 3.27Å; I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.22Å; I312-T316 PolarHBondContact O-OG1 3.47Å; I312-P331 VanDerWaalsContact CG2-CD 3.5Å; I312-P331 HydrophobicContact CG2-CG 4.13Å
313D92.7Very high92.2Very high14 Ų1437.5 Ų37.58%0.07519%0.191CC..Hα-helixtrans-59.5-47.9175.5-173.793.3000111.4L299 D300 F301 A309 R311 T316 R317L299-D313 HydrophobicContact CD2-CB 4.13Å; D300-D313 PolarHBondContact N-OD1 2.93Å; D300-D313 VanDerWaalsContact N-OD1 3.1Å; F301-D313 WeakPolarHBondContact CD2-OD1 3.06Å; A309-D313 WeakPolarHBondContact O-CB 3.31Å; A309-D313 PolarHBondContact O-N 2.6Å; R311-D313 VanDerWaalsContact C-N 3.31Å; R311-D313 PolarHBondContact O-N 3.46Å; D313-T316 PolarHBondContact O-N 2.05Å; D313-R317 WeakPolarHBondContact O-CB 3.42Å; D313-R317 PolarHBondContact O-N 2.82Å
314C92.1Very high92.8Very high8 Ų835.5 Ų35.55%0.05418%0.18CC..Hα-helixtrans-63.5-47.3177.3-1690000113.3C310 R311 T316 R317 Y318 C361C310-C314 WeakPolarHBondContact O-CB 3.47Å; C310-C314 PolarHBondContact O-N 3.03Å; R311-C314 PolarHBondContact O-N 2.93Å; C314-T316 VanDerWaalsContact C-N 3.29Å; C314-T316 PolarHBondContact O-N 3.18Å; C314-R317 PolarHBondContact O-N 2.89Å; C314-Y318 WeakPolarHBondContact O-CB 3.3Å; C314-Y318 PolarHBondContact O-N 2.77Å; C314-C361 HydrophobicContact CB-CB 3.91Å; C314-C361 WeakPolarHBondContact CB-SG 3.26Å; C314-C361 WeakPolarHBondContact SG-CA 3.12Å; C314-C361 WeakPolarHBondContact SG-CB 3.15Å; C314-C361 CovalentContact SG-SG 2.04Å; C314-C361 PolarHBondContact SG-SG 3.19Å
315E92.3Very high93.3Very high6 Ų633.2 Ų33.23%0.02816%0.164CC..Hα-helixtrans-59.7-41.3176.3-74177.8-158.600110.8R190 R311 L319 M330 L350 L353R190-E315 IonicContact CZ-OE2 3.83Å; R190-E315 IonicContact NH2-OE1 3.31Å; R190-E315 IonicContact NH2-OE2 3.07Å; R190-E315 PolarHBondContact NH2-OE2 2.99Å; R311-E315 IonicContact NH2-OE1 3.77Å; R311-E315 WeakPolarHBondContact O-CB 3.45Å; R311-E315 WeakPolarHBondContact O-CG 3.5Å; R311-E315 PolarHBondContact O-N 3.46Å; E315-L319 WeakPolarHBondContact O-CB 3.03Å; E315-L319 PolarHBondContact O-N 2.75Å; E315-M330 HydrophobicContact CB-CE 4.13Å; E315-L350 HydrophobicContact CB-CD2 4.1Å; E315-L350 HydrophobicContact CG-CD2 4.24Å; E315-L353 HydrophobicContact CG-CD2 4.05Å
316T94.6Very high93.7Very high2 Ų233.3 Ų33.31%0.01216%0.164CC..Hα-helixtrans-64-48.7177.7-57.60000111.3F301 I312 D313 C314 L319 V320 M330 P331F301-T316 HydrophobicContact CE2-CG2 3.92Å; F301-T316 HydrophobicContact CZ-CG2 4.38Å; I312-T316 VanDerWaalsContact O-CB 3.27Å; I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.22Å; I312-T316 PolarHBondContact O-OG1 3.47Å; D313-T316 PolarHBondContact O-N 2.05Å; C314-T316 VanDerWaalsContact C-N 3.29Å; C314-T316 PolarHBondContact O-N 3.18Å; T316-L319 PolarHBondContact O-N 2.03Å; T316-V320 HydrophobicContact CG2-CG2 4.4Å; T316-V320 WeakPolarHBondContact O-CB 3.26Å; T316-V320 VanDerWaalsContact O-CG2 3.27Å; T316-V320 WeakPolarHBondContact O-CG2 3.46Å; T316-V320 PolarHBondContact O-N 2.8Å; T316-M330 HydrophobicContact CG2-CB 4.07Å; T316-M330 WeakPolarHBondContact OG1-CB 3.42Å; T316-M330 WeakPolarHBondContact OG1-CG 3.38Å; T316-P331 WeakPolarHBondContact CG2-O 3.46Å
317R92.8Very high93.9Very high83 Ų8333.3 Ų33.331%0.31316%0.163SC..Hα-helixtrans-62.6-45.4-180-175.7174.757.870.29.1111.5D313 C314 L319 V320 E321 Y360D313-R317 WeakPolarHBondContact O-CB 3.42Å; D313-R317 PolarHBondContact O-N 2.82Å; C314-R317 PolarHBondContact O-N 2.89Å; R317-L319 VanDerWaalsContact C-N 3.32Å; R317-L319 PolarHBondContact O-N 3.21Å; R317-V320 PolarHBondContact O-N 2.74Å; R317-E321 HydrophobicContact CG-CG 4.47Å; R317-E321 VanDerWaalsContact CG-OE1 3.26Å; R317-E321 WeakPolarHBondContact CG-OE1 3.41Å; R317-E321 IonicContact NH1-OE1 3.78Å; R317-E321 PolarHBondContact NH1-OE1 3.38Å; R317-E321 VanDerWaalsContact NH1-OE1 3.07Å; R317-E321 IonicContact NH1-OE2 3.08Å; R317-E321 WeakPolarHBondContact O-CB 3.31Å; R317-E321 VanDerWaalsContact O-CG 3.31Å; R317-E321 WeakPolarHBondContact O-CG 3.41Å; R317-E321 PolarHBondContact O-N 3.49Å; R317-Y360 PolarHBondContact NH1-OH 3.21Å; R317-Y360 VanDerWaalsContact NH2-CE1 3.34Å
318Y92.6Very high94.1Very high22 Ų2231 Ų319%0.08615%0.152CC..Hα-helixtrans-58.5-44.3176.3-177.4-96.8000112C314 E321 N322 A349 F352 L353 Y360C314-Y318 WeakPolarHBondContact O-CB 3.3Å; C314-Y318 PolarHBondContact O-N 2.77Å; Y318-E321 PolarHBondContact O-N 3.44Å; Y318-N322 WeakPolarHBondContact CD2-ND2 3.12Å; Y318-N322 VanDerWaalsContact CE1-ND2 3.34Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.34Å; Y318-N322 WeakPolarHBondContact CE2-ND2 3.08Å; Y318-N322 WeakPolarHBondContact O-CB 3.41Å; Y318-N322 PolarHBondContact O-N 2.94Å; Y318-N322 PolarHBondContact O-ND2 2.87Å; Y318-A349 HydrophobicContact CE1-CB 4.01Å; Y318-A349 WeakPolarHBondContact CE1-O 3.03Å; Y318-F352 WeakPolarHBondContact OH-CD1 3.2Å; Y318-L353 HydrophobicContact CD1-CB 4.3Å; Y318-L353 HydrophobicContact CD1-CD2 3.95Å; Y318-L353 HydrophobicContact CD1-CG 4.49Å; Y318-L353 HydrophobicContact CD2-CD1 4.04Å; Y318-L353 HydrophobicContact CE1-CB 4.06Å; Y318-L353 HydrophobicContact CE2-CD1 4.14Å; Y318-L353 HydrophobicContact CG-CD1 4.22Å; Y318-L353 HydrophobicContact CG-CD2 4Å; Y318-Y360 AromaticContact CD2-CD1 3.91Å; Y318-Y360 HydrophobicContact CD2-CD1 3.91Å; Y318-Y360 HydrophobicContact CD2-CD2 4.37Å; Y318-Y360 AromaticContact CD2-CE1 3.59Å; Y318-Y360 HydrophobicContact CD2-CE1 3.59Å; Y318-Y360 HydrophobicContact CD2-CE2 4.06Å; Y318-Y360 HydrophobicContact CD2-CG 4.29Å; Y318-Y360 AromaticContact CD2-CZ 3.64Å; Y318-Y360 HydrophobicContact CG-CE1 4.16Å
319L95Very high94.3Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-68.7-40.2-179.6-159.467.5000112.2E315 T316 R317 N322 C323 C325 M327 M330 A346 A349 L350E315-L319 WeakPolarHBondContact O-CB 3.03Å; E315-L319 PolarHBondContact O-N 2.75Å; T316-L319 PolarHBondContact O-N 2.03Å; R317-L319 VanDerWaalsContact C-N 3.32Å; R317-L319 PolarHBondContact O-N 3.21Å; L319-N322 PolarHBondContact O-N 3.48Å; L319-C323 HydrophobicContact CD1-CB 4.33Å; L319-C323 HydrophobicContact CG-CB 4.42Å; L319-C323 WeakPolarHBondContact O-CA 3.38Å; L319-C323 WeakPolarHBondContact O-CB 3.44Å; L319-C323 PolarHBondContact O-N 3Å; L319-C325 CarbonylContact C-O 3.54Å; L319-M327 HydrophobicContact CD2-CG 3.74Å; L319-M330 HydrophobicContact CB-CE 4.48Å; L319-M330 HydrophobicContact CB-SD 4.28Å; L319-M330 HydrophobicContact CD2-CE 3.82Å; L319-M330 HydrophobicContact CD2-SD 3.56Å; L319-M330 VanDerWaalsContact CD2-SD 3.56Å; L319-A346 HydrophobicContact CD1-CB 3.84Å; L319-A346 HydrophobicContact CD2-CB 4.11Å; L319-A346 HydrophobicContact CG-CB 4.45Å; L319-A349 HydrophobicContact CD1-CB 4.2Å; L319-L350 HydrophobicContact CD1-CG 4.31Å
320V95.9Very high94.4Very high49 Ų4932.7 Ų32.730%0.29716%0.16SC..Hα-helixtrans-66-41.3176.6171.90000110.9T316 R317 N324 R326 A334T316-V320 HydrophobicContact CG2-CG2 4.4Å; T316-V320 WeakPolarHBondContact O-CB 3.26Å; T316-V320 VanDerWaalsContact O-CG2 3.27Å; T316-V320 WeakPolarHBondContact O-CG2 3.46Å; T316-V320 PolarHBondContact O-N 2.8Å; R317-V320 PolarHBondContact O-N 2.74Å; V320-N324 WeakPolarHBondContact O-CA 3.36Å; V320-N324 PolarHBondContact O-N 2.86Å; V320-R326 HydrophobicContact CG2-CB 4.27Å; V320-A334 HydrophobicContact CG1-CB 4.36Å; V320-A334 HydrophobicContact CG2-CB 3.66Å
321E93.5Very high94.5Very high107 Ų10733.3 Ų33.350%0.516%0.163SC..Hα-helixtrans-64.5-40.6177.3-74.6174.2-165.400112.6R317 Y318 Y360R317-E321 HydrophobicContact CG-CG 4.47Å; R317-E321 VanDerWaalsContact CG-OE1 3.26Å; R317-E321 WeakPolarHBondContact CG-OE1 3.41Å; R317-E321 IonicContact NH1-OE1 3.78Å; R317-E321 PolarHBondContact NH1-OE1 3.38Å; R317-E321 VanDerWaalsContact NH1-OE1 3.07Å; R317-E321 IonicContact NH1-OE2 3.08Å; R317-E321 WeakPolarHBondContact O-CB 3.31Å; R317-E321 VanDerWaalsContact O-CG 3.31Å; R317-E321 WeakPolarHBondContact O-CG 3.41Å; R317-E321 PolarHBondContact O-N 3.49Å; Y318-E321 PolarHBondContact O-N 3.44Å; E321-Y360 PolarHBondContact OE2-OH 3.27Å
322N94.1Very high94.6Very high84 Ų8431 Ų3145%0.44916%0.161SC..Hα-helixtrans-93.4-35.3-173.9-69.6-40.7000114.5Y318 L319Y318-N322 WeakPolarHBondContact CD2-ND2 3.12Å; Y318-N322 VanDerWaalsContact CE1-ND2 3.34Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.34Å; Y318-N322 WeakPolarHBondContact CE2-ND2 3.08Å; Y318-N322 WeakPolarHBondContact O-CB 3.41Å; Y318-N322 PolarHBondContact O-N 2.94Å; Y318-N322 PolarHBondContact O-ND2 2.87Å; L319-N322 PolarHBondContact O-N 3.48Å
323C96.3Very high94.7Very high9 Ų938.5 Ų38.56%0.06120%0.201CC..Hα-helixtrans-113.6-4.8-174.7-59.60000113.8L319 C325 C345L319-C323 HydrophobicContact CD1-CB 4.33Å; L319-C323 HydrophobicContact CG-CB 4.42Å; L319-C323 WeakPolarHBondContact O-CA 3.38Å; L319-C323 WeakPolarHBondContact O-CB 3.44Å; L319-C323 PolarHBondContact O-N 3Å; C323-C325 PolarHBondContact O-N 3.32Å; C323-C325 VanDerWaalsContact O-N 3.11Å; C323-C345 VanDerWaalsContact CA-SG 3.55Å; C323-C345 HydrophobicContact CB-CB 3.99Å; C323-C345 WeakPolarHBondContact CB-SG 3.05Å; C323-C345 VanDerWaalsContact SG-C 3.54Å; C323-C345 WeakPolarHBondContact SG-CB 3.38Å; C323-C345 CovalentContact SG-SG 2.04Å; C323-C345 PolarHBondContact SG-SG 3.46Å
324N96.8Very high94.8Very high122 Ų12239 Ų3965%0.65221%0.207SC*.SBendtrans56.121.7-178-61.5-73.2000114.6V320V320-N324 WeakPolarHBondContact O-CA 3.36Å; V320-N324 PolarHBondContact O-N 2.86Å
325C97.3Very high95.1Very high1 Ų142.7 Ų42.71%0.00723%0.231CC..  trans-147.5167.3179.769.80000109.6L319 C323 P335 C337L319-C325 CarbonylContact C-O 3.54Å; C323-C325 PolarHBondContact O-N 3.32Å; C323-C325 VanDerWaalsContact O-N 3.11Å; C325-P335 CarbonylContact C-O 3.49Å; C325-P335 WeakPolarHBondContact CA-O 3.31Å; C325-C337 HydrophobicContact CB-CB 3.87Å; C325-C337 WeakPolarHBondContact CB-SG 3.07Å; C325-C337 VanDerWaalsContact SG-CA 3.56Å; C325-C337 WeakPolarHBondContact SG-CB 3.33Å; C325-C337 CovalentContact SG-SG 2.03Å; C325-C337 PolarHBondContact SG-SG 2.85Å
326R96.4Very high95.3Very high23 Ų2345.5 Ų45.59%0.08724%0.242CC..BIsolated β-bridgetrans-125.7153.2173.666.3175.7175.1952.9111.8V320 M330 P331 G332 A334 P335 Y336 C337V320-R326 HydrophobicContact CG2-CB 4.27Å; R326-M330 HydrophobicContact CB-CB 4.08Å; R326-M330 HydrophobicContact CB-SD 4.32Å; R326-M330 PolarHBondContact NH1-O 3.16Å; R326-P331 WeakPolarHBondContact CD-O 3.49Å; R326-G332 PolarHBondContact NE-O 3.41Å; R326-G332 PolarHBondContact NH2-O 3.14Å; R326-A334 HydrophobicContact CB-CB 4.33Å; R326-A334 HydrophobicContact CG-CB 4.07Å; R326-A334 PolarHBondContact NE-O 3.47Å; R326-P335 PolarHBondContact N-O 2.92Å; R326-Y336 VanDerWaalsContact CZ-CE1 3.44Å; R326-Y336 PolarHBondContact NH1-OH 2.69Å; R326-Y336 PolarHBondContact NH2-OH 3.07Å; R326-Y336 CarbonylContact O-C 3.54Å; R326-Y336 WeakPolarHBondContact O-CA 3.05Å; R326-C337 VanDerWaalsContact C-SG 3.52Å; R326-C337 PolarHBondContact N-SG 3.46Å; R326-C337 PolarHBondContact O-N 2.81Å; R326-C337 PolarHBondContact O-SG 2.99Å
327M95.9Very high95.4Very high10 Ų1045.5 Ų45.55%0.04924%0.241CC..  trans-72.4164.9172.1-68.2-174.4172.900111.7L319 H329 M330 Y342 A346 D347 L350L319-M327 HydrophobicContact CD2-CG 3.74Å; M327-H329 VanDerWaalsContact C-N 3.3Å; M327-H329 PolarHBondContact O-N 3.47Å; M327-M330 HydrophobicContact CB-CE 4.3Å; M327-M330 HydrophobicContact CB-CG 4.15Å; M327-M330 HydrophobicContact CB-SD 3.93Å; M327-M330 HydrophobicContact CG-CE 4.29Å; M327-M330 HydrophobicContact CG-SD 4.3Å; M327-M330 PolarHBondContact O-N 2.95Å; M327-M330 HydrophobicContact SD-CE 4.22Å; M327-Y342 WeakPolarHBondContact CA-OH 3.04Å; M327-Y342 HydrophobicContact CB-CE1 4.5Å; M327-Y342 HydrophobicContact CE-CD1 4.22Å; M327-Y342 HydrophobicContact CE-CE1 4.17Å; M327-Y342 HydrophobicContact CG-CE1 3.94Å; M327-Y342 HydrophobicContact SD-CE1 4.17Å; M327-A346 HydrophobicContact CE-CB 3.5Å; M327-D347 WeakPolarHBondContact CE-OD1 3.02Å; M327-L350 HydrophobicContact CE-CD1 3.4Å; M327-L350 VanDerWaalsContact CE-CD1 3.4Å; M327-L350 HydrophobicContact CE-CG 4.41Å; M327-L350 HydrophobicContact SD-CD1 3.58Å; M327-L350 VanDerWaalsContact SD-CD1 3.58Å
328V96.3Very high95.6Very high9 Ų944.4 Ų44.46%0.05524%0.244CC..THydrogen-bonded Turntrans-60.2-35.5-175.5171.50000113.9M154 R155 Y158 F188 Y336 Y342M154-V328 HydrophobicContact CB-CG2 3.67Å; R155-V328 HydrophobicContact CB-CG2 4.43Å; Y158-V328 HydrophobicContact CD2-CB 4.14Å; Y158-V328 HydrophobicContact CD2-CG1 4.13Å; Y158-V328 HydrophobicContact CD2-CG2 3.72Å; Y158-V328 HydrophobicContact CE2-CB 4.34Å; Y158-V328 HydrophobicContact CE2-CG2 3.95Å; Y158-V328 HydrophobicContact CG-CG1 4.16Å; F188-V328 HydrophobicContact CB-CG1 4.08Å; F188-V328 HydrophobicContact CD1-CG1 3.77Å; F188-V328 HydrophobicContact CG-CG1 3.95Å; V328-Y336 HydrophobicContact CG2-CD1 4.11Å; V328-Y336 HydrophobicContact CG2-CE1 4.47Å; V328-Y342 PolarHBondContact N-OH 2.91Å; V328-Y342 VanDerWaalsContact N-OH 3.1Å
329H95.4Very high95.7Very high35 Ų3543.7 Ų43.716%0.16224%0.242CC..THydrogen-bonded Turntrans-83.2-14.1-179.267-91.9000114F188 M327F188-H329 HydrophobicContact CB-CB 4.25Å; F188-H329 VanDerWaalsContact O-CB 3.25Å; F188-H329 WeakPolarHBondContact O-CB 3.25Å; M327-H329 VanDerWaalsContact C-N 3.3Å; M327-H329 PolarHBondContact O-N 3.47Å
330M95.8Very high95.6Very high4 Ų447.9 Ų47.92%0.0226%0.262CS..SBendtrans-79.2138.9-177.5-70.8176176.400110.7E315 T316 L319 R326 M327 L350E315-M330 HydrophobicContact CB-CE 4.13Å; T316-M330 HydrophobicContact CG2-CB 4.07Å; T316-M330 WeakPolarHBondContact OG1-CB 3.42Å; T316-M330 WeakPolarHBondContact OG1-CG 3.38Å; L319-M330 HydrophobicContact CB-CE 4.48Å; L319-M330 HydrophobicContact CB-SD 4.28Å; L319-M330 HydrophobicContact CD2-CE 3.82Å; L319-M330 HydrophobicContact CD2-SD 3.56Å; L319-M330 VanDerWaalsContact CD2-SD 3.56Å; R326-M330 HydrophobicContact CB-CB 4.08Å; R326-M330 HydrophobicContact CB-SD 4.32Å; R326-M330 PolarHBondContact NH1-O 3.16Å; M327-M330 HydrophobicContact CB-CE 4.3Å; M327-M330 HydrophobicContact CB-CG 4.15Å; M327-M330 HydrophobicContact CB-SD 3.93Å; M327-M330 HydrophobicContact CG-CE 4.29Å; M327-M330 HydrophobicContact CG-SD 4.3Å; M327-M330 PolarHBondContact O-N 2.95Å; M327-M330 HydrophobicContact SD-CE 4.22Å; M330-L350 HydrophobicContact CE-CD1 3.85Å; M330-L350 HydrophobicContact CE-CD2 4.11Å
331P94.5Very high95.5Very high30 Ų3048.7 Ų48.720%0.19526%0.263CS..  trans-72.5179.1175.933.2-38.2000112.7F301 F302 I312 T316 R326F301-P331 HydrophobicContact CB-CB 3.71Å; F301-P331 HydrophobicContact CB-CG 3.56Å; F301-P331 HydrophobicContact CD1-CB 4.28Å; F301-P331 HydrophobicContact CD1-CG 4.47Å; F301-P331 HydrophobicContact CD2-CB 4.48Å; F301-P331 HydrophobicContact CD2-CG 3.8Å; F301-P331 HydrophobicContact CG-CB 3.9Å; F301-P331 HydrophobicContact CG-CG 3.68Å; F302-P331 HydrophobicContact CE2-CG 4.01Å; F302-P331 HydrophobicContact CZ-CG 4.02Å; I312-P331 VanDerWaalsContact CG2-CD 3.5Å; I312-P331 HydrophobicContact CG2-CG 4.13Å; T316-P331 WeakPolarHBondContact CG2-O 3.46Å; R326-P331 WeakPolarHBondContact CD-O 3.49Å
332G93.4Very high95.6Very high20 Ų2043.9 Ų43.921%0.20624%0.24CC..SBendtrans95.5177.7175.800000115.4R326R326-G332 PolarHBondContact NE-O 3.41Å; R326-G332 PolarHBondContact NH2-O 3.14Å
333D94.8Very high95.4Very high171 Ų17144.7 Ų44.791%0.91424%0.239SC*.SBendtrans-101.5-0.1-171.5-65.1-34.7000113.9
334A95.7Very high95.2Very high23 Ų2352 Ų5219%0.1927%0.273CS..SBendtrans-58.3150.8174.100000110.9V320 R326V320-A334 HydrophobicContact CG1-CB 4.36Å; V320-A334 HydrophobicContact CG2-CB 3.66Å; R326-A334 HydrophobicContact CB-CB 4.33Å; R326-A334 HydrophobicContact CG-CB 4.07Å; R326-A334 PolarHBondContact NE-O 3.47Å
335P97Very high95.2Very high87 Ų8748.2 Ų48.257%0.56526%0.255SS*.PPolyproline II helixtrans-65.1148.3177.428.3-34.6000111.1C325 R326C325-P335 CarbonylContact C-O 3.49Å; C325-P335 WeakPolarHBondContact CA-O 3.31Å; R326-P335 PolarHBondContact N-O 2.92Å
336Y97.5Very high95.1Very high65 Ų6548.1 Ų48.126%0.25526%0.255SS..BIsolated β-bridgetrans-66.9137.8172.6-66.4-71.8000110.8R155 R326 V328R155-Y336 HydrophobicContact CB-CD1 4.22Å; R155-Y336 HydrophobicContact CB-CD2 3.77Å; R155-Y336 HydrophobicContact CB-CE1 3.94Å; R155-Y336 HydrophobicContact CB-CE2 3.49Å; R155-Y336 VanDerWaalsContact CB-CE2 3.49Å; R155-Y336 HydrophobicContact CB-CG 4.13Å; R155-Y336 HydrophobicContact CG-CE1 4.27Å; R155-Y336 HydrophobicContact CG-CE2 3.8Å; R326-Y336 VanDerWaalsContact CZ-CE1 3.44Å; R326-Y336 PolarHBondContact NH1-OH 2.69Å; R326-Y336 PolarHBondContact NH2-OH 3.07Å; R326-Y336 CarbonylContact O-C 3.54Å; R326-Y336 WeakPolarHBondContact O-CA 3.05Å; V328-Y336 HydrophobicContact CG2-CD1 4.11Å; V328-Y336 HydrophobicContact CG2-CE1 4.47Å
337C97.1Very high94.8Very high1 Ų148.8 Ų48.81%0.00726%0.26CS..PPolyproline II helixtrans-62.2143.5175.2-57.80000111.3M154 C325 R326 Q341 Y342M154-C337 WeakPolarHBondContact CG-O 3.24Å; C325-C337 HydrophobicContact CB-CB 3.87Å; C325-C337 WeakPolarHBondContact CB-SG 3.07Å; C325-C337 VanDerWaalsContact SG-CA 3.56Å; C325-C337 WeakPolarHBondContact SG-CB 3.33Å; C325-C337 CovalentContact SG-SG 2.03Å; C325-C337 PolarHBondContact SG-SG 2.85Å; R326-C337 VanDerWaalsContact C-SG 3.52Å; R326-C337 PolarHBondContact N-SG 3.46Å; R326-C337 PolarHBondContact O-N 2.81Å; R326-C337 PolarHBondContact O-SG 2.99Å; C337-Q341 HydrophobicContact CB-CB 4.01Å; C337-Y342 HydrophobicContact CB-CD2 3.55Å; C337-Y342 HydrophobicContact CB-CE2 3.62Å
338T96.4Very high94.6Very high60 Ų6051.3 Ų51.337%0.36828%0.277SS..PPolyproline II helixtrans-77.3161.6169.9760000111E340 Q341 Y342T338-E340 VanDerWaalsContact CB-OE2 3.27Å; T338-E340 WeakPolarHBondContact CB-OE2 3.42Å; T338-E340 PolarHBondContact O-N 2.78Å; T338-E340 PolarHBondContact OG1-OE2 3.18Å; T338-Q341 WeakPolarHBondContact O-CB 3.48Å; T338-Q341 PolarHBondContact O-N 3.08Å; T338-Q341 PolarHBondContact OG1-N 3.43Å; T338-Y342 WeakPolarHBondContact O-CD2 3.28Å; T338-Y342 PolarHBondContact O-N 3.42Å
339P94.2Very high94.5Very high8 Ų851.6 Ų51.65%0.05228%0.28CS..Hα-helixtrans-53.7-36176.2-28.137000114H110 A111 L114 F152 M154 Y342 K343H110-P339 HydrophobicContact CB-CG 4.4Å; H110-P339 VanDerWaalsContact O-CB 3.28Å; H110-P339 WeakPolarHBondContact O-CB 3.02Å; H110-P339 WeakPolarHBondContact O-CG 3.46Å; A111-P339 HydrophobicContact CB-CB 4.42Å; A111-P339 HydrophobicContact CB-CG 4.1Å; L114-P339 HydrophobicContact CD2-CB 4.39Å; F152-P339 HydrophobicContact CD1-CG 4.03Å; F152-P339 HydrophobicContact CE1-CG 3.47Å; F152-P339 VanDerWaalsContact CE1-CG 3.47Å; F152-P339 HydrophobicContact CZ-CG 4.31Å; M154-P339 HydrophobicContact CG-CG 4.5Å; M154-P339 HydrophobicContact SD-CG 3.93Å; P339-Y342 WeakPolarHBondContact O-CB 3.1Å; P339-Y342 PolarHBondContact O-N 3.43Å; P339-K343 PolarHBondContact O-N 3.12Å
340E92.5Very high94.2Very high87 Ų8750.1 Ų50.141%0.40727%0.273SS..Hα-helixtrans-67.1-43.1175-55.583.1176.800111.3T338 Y342 K343 E344T338-E340 VanDerWaalsContact CB-OE2 3.27Å; T338-E340 WeakPolarHBondContact CB-OE2 3.42Å; T338-E340 PolarHBondContact O-N 2.78Å; T338-E340 PolarHBondContact OG1-OE2 3.18Å; E340-Y342 VanDerWaalsContact C-N 3.31Å; E340-Y342 PolarHBondContact O-N 2.93Å; E340-K343 PolarHBondContact O-N 3.18Å; E340-E344 VanDerWaalsContact O-CB 3.31Å; E340-E344 WeakPolarHBondContact O-CB 3.36Å; E340-E344 WeakPolarHBondContact O-CG 3.35Å; E340-E344 PolarHBondContact O-N 3.41Å
341Q95.8Very high93.8Very high67 Ų6753.8 Ų53.831%0.31329%0.293SS..Hα-helixtrans-66.2-32177-70.1-178.7-44.700113C337 T338 C345 A346C337-Q341 HydrophobicContact CB-CB 4.01Å; T338-Q341 WeakPolarHBondContact O-CB 3.48Å; T338-Q341 PolarHBondContact O-N 3.08Å; T338-Q341 PolarHBondContact OG1-N 3.43Å; Q341-C345 WeakPolarHBondContact O-CA 3.38Å; Q341-C345 WeakPolarHBondContact O-CB 3.41Å; Q341-C345 PolarHBondContact O-N 3.18Å; Q341-A346 PolarHBondContact O-N 3.12Å
342Y94.1Very high93.5Very high5 Ų556.6 Ų56.62%0.0230%0.302CS..Iπ-helixtrans-55.2-60.4171.4-96.4-105.1000109.7L114 M154 M327 V328 C337 T338 P339 E340 A346 D347L114-Y342 HydrophobicContact CD2-CG 4.48Å; M154-Y342 HydrophobicContact CE-CD2 4.08Å; M154-Y342 HydrophobicContact CE-CE1 4.35Å; M154-Y342 HydrophobicContact CE-CE2 3.86Å; M154-Y342 HydrophobicContact CE-CG 4.42Å; M154-Y342 HydrophobicContact CG-CE2 4.17Å; M327-Y342 WeakPolarHBondContact CA-OH 3.04Å; M327-Y342 HydrophobicContact CB-CE1 4.5Å; M327-Y342 HydrophobicContact CE-CD1 4.22Å; M327-Y342 HydrophobicContact CE-CE1 4.17Å; M327-Y342 HydrophobicContact CG-CE1 3.94Å; M327-Y342 HydrophobicContact SD-CE1 4.17Å; V328-Y342 PolarHBondContact N-OH 2.91Å; V328-Y342 VanDerWaalsContact N-OH 3.1Å; C337-Y342 HydrophobicContact CB-CD2 3.55Å; C337-Y342 HydrophobicContact CB-CE2 3.62Å; T338-Y342 WeakPolarHBondContact O-CD2 3.28Å; T338-Y342 PolarHBondContact O-N 3.42Å; P339-Y342 WeakPolarHBondContact O-CB 3.1Å; P339-Y342 PolarHBondContact O-N 3.43Å; E340-Y342 VanDerWaalsContact C-N 3.31Å; E340-Y342 PolarHBondContact O-N 2.93Å; Y342-A346 PolarHBondContact O-N 3.17Å; Y342-A346 VanDerWaalsContact O-N 3.11Å; Y342-D347 VanDerWaalsContact C-OD2 3.28Å; Y342-D347 PolarHBondContact O-N 2.94Å; Y342-D347 VanDerWaalsContact O-OD2 3.11Å
343K90.4Very high93.1Very high101 Ų10156.1 Ų56.144%0.43930%0.295SS..Iπ-helixtrans-66-43.7-176.6-178.1173-176163.60114.4E113 P339 E340E113-K343 IonicContact OE1-NZ 2.91Å; E113-K343 PolarHBondContact OE1-NZ 2.97Å; P339-K343 PolarHBondContact O-N 3.12Å; E340-K343 PolarHBondContact O-N 3.18Å
344E92.9Very high92.4Very high164 Ų16451.6 Ų51.677%0.76627%0.274SS*.Iπ-helixtrans-84.3-24.2-172-66.9-173.4168.600113.3E340E340-E344 VanDerWaalsContact O-CB 3.31Å; E340-E344 WeakPolarHBondContact O-CB 3.36Å; E340-E344 WeakPolarHBondContact O-CG 3.35Å; E340-E344 PolarHBondContact O-N 3.41Å
345C95.2Very high91.5Very high41 Ų4157.4 Ų57.428%0.27730%0.297SS..Iπ-helixtrans-132.9-56.8-173.1-163.50000112.9C323 Q341 P348 A349C323-C345 VanDerWaalsContact CA-SG 3.55Å; C323-C345 HydrophobicContact CB-CB 3.99Å; C323-C345 WeakPolarHBondContact CB-SG 3.05Å; C323-C345 VanDerWaalsContact SG-C 3.54Å; C323-C345 WeakPolarHBondContact SG-CB 3.38Å; C323-C345 CovalentContact SG-SG 2.04Å; C323-C345 PolarHBondContact SG-SG 3.46Å; Q341-C345 WeakPolarHBondContact O-CA 3.38Å; Q341-C345 WeakPolarHBondContact O-CB 3.41Å; Q341-C345 PolarHBondContact O-N 3.18Å; C345-P348 WeakPolarHBondContact O-CD 3.38Å; C345-A349 WeakPolarHBondContact O-CB 3.12Å; C345-A349 PolarHBondContact O-N 3.46Å
346A94.8Very high90Very high0 Ų060.3 Ų60.30%030%0.3CS..Iπ-helixtrans-68-48.1-16400000113L319 M327 Q341 Y342 A349 L350L319-A346 HydrophobicContact CD1-CB 3.84Å; L319-A346 HydrophobicContact CD2-CB 4.11Å; L319-A346 HydrophobicContact CG-CB 4.45Å; M327-A346 HydrophobicContact CE-CB 3.5Å; Q341-A346 PolarHBondContact O-N 3.12Å; Y342-A346 PolarHBondContact O-N 3.17Å; Y342-A346 VanDerWaalsContact O-N 3.11Å; A346-A349 PolarHBondContact O-N 3.44Å; A346-L350 WeakPolarHBondContact O-CG 3.26Å; A346-L350 PolarHBondContact O-N 2.91Å
347D91.3Very high88.5Confident36 Ų3659.3 Ų59.319%0.19330%0.299CS..Hα-helixtrans-66.3-51.1-179.8-49.7-37.1000110.6M327 Y342 A349 L350 D351M327-D347 WeakPolarHBondContact CE-OD1 3.02Å; Y342-D347 VanDerWaalsContact C-OD2 3.28Å; Y342-D347 PolarHBondContact O-N 2.94Å; Y342-D347 VanDerWaalsContact O-OD2 3.11Å; D347-A349 VanDerWaalsContact C-N 3.27Å; D347-A349 PolarHBondContact O-N 2.77Å; D347-L350 PolarHBondContact O-N 3.14Å; D347-D351 PolarHBondContact O-N 2.99Å
348P92.3Very high87Confident64 Ų6467 Ų6742%0.41634%0.335SS..Hα-helixtrans-60.6-33176.4-23.334000114.1C345 F352C345-P348 WeakPolarHBondContact O-CD 3.38Å; P348-F352 VanDerWaalsContact O-CB 3.29Å; P348-F352 WeakPolarHBondContact O-CB 3.34Å; P348-F352 PolarHBondContact O-N 2.85Å
349A92.5Very high86.2Confident14 Ų1472.4 Ų72.412%0.11636%0.356CS..Hα-helixtrans-69.2-42.9178.200000111.5Y318 L319 C345 A346 D347 F352 L353Y318-A349 HydrophobicContact CE1-CB 4.01Å; Y318-A349 WeakPolarHBondContact CE1-O 3.03Å; L319-A349 HydrophobicContact CD1-CB 4.2Å; C345-A349 WeakPolarHBondContact O-CB 3.12Å; C345-A349 PolarHBondContact O-N 3.46Å; A346-A349 PolarHBondContact O-N 3.44Å; D347-A349 VanDerWaalsContact C-N 3.27Å; D347-A349 PolarHBondContact O-N 2.77Å; A349-F352 PolarHBondContact O-N 3.08Å; A349-L353 PolarHBondContact O-N 3.05Å
350L90Very high85.6Confident4 Ų475.1 Ų75.12%0.02137%0.366CS..Hα-helixtrans-69.5-39176.3-70179.4000111.9E315 L319 M327 M330 A346 D347 F352 L353 V354E315-L350 HydrophobicContact CB-CD2 4.1Å; E315-L350 HydrophobicContact CG-CD2 4.24Å; L319-L350 HydrophobicContact CD1-CG 4.31Å; M327-L350 HydrophobicContact CE-CD1 3.4Å; M327-L350 VanDerWaalsContact CE-CD1 3.4Å; M327-L350 HydrophobicContact CE-CG 4.41Å; M327-L350 HydrophobicContact SD-CD1 3.58Å; M327-L350 VanDerWaalsContact SD-CD1 3.58Å; M330-L350 HydrophobicContact CE-CD1 3.85Å; M330-L350 HydrophobicContact CE-CD2 4.11Å; A346-L350 WeakPolarHBondContact O-CG 3.26Å; A346-L350 PolarHBondContact O-N 2.91Å; D347-L350 PolarHBondContact O-N 3.14Å; L350-F352 VanDerWaalsContact C-N 3.31Å; L350-F352 PolarHBondContact O-N 2.94Å; L350-L353 HydrophobicContact CD2-CD2 4.4Å; L350-L353 WeakPolarHBondContact O-CB 3.27Å; L350-L353 PolarHBondContact O-N 2.74Å; L350-V354 WeakPolarHBondContact O-CG2 3.49Å; L350-V354 PolarHBondContact O-N 3.28Å
351D86.7Confident85.3Confident81 Ų8172.7 Ų72.743%0.43336%0.358SS..Hα-helixtrans-61.2-42.9174.1-70.1-19.2000111.2D347 L353 V354 E355D347-D351 PolarHBondContact O-N 2.99Å; D351-L353 PolarHBondContact O-N 3.16Å; D351-V354 PolarHBondContact O-N 2.82Å; D351-E355 WeakPolarHBondContact O-CB 2.84Å; D351-E355 WeakPolarHBondContact O-CG 3.1Å; D351-E355 PolarHBondContact O-N 3.48Å
352F87.9Confident84.9Confident90 Ų9074.7 Ų74.740%0.39538%0.375SS..Hα-helixtrans-60.5-43.6174-179.8-88.4000112.2Y318 P348 A349 L350 V354 K356 D357Y318-F352 WeakPolarHBondContact OH-CD1 3.2Å; P348-F352 VanDerWaalsContact O-CB 3.29Å; P348-F352 WeakPolarHBondContact O-CB 3.34Å; P348-F352 PolarHBondContact O-N 2.85Å; A349-F352 PolarHBondContact O-N 3.08Å; L350-F352 VanDerWaalsContact C-N 3.31Å; L350-F352 PolarHBondContact O-N 2.94Å; F352-V354 VanDerWaalsContact C-N 3.34Å; F352-V354 PolarHBondContact O-N 3.28Å; F352-K356 HydrophobicContact CD2-CB 3.94Å; F352-K356 HydrophobicContact CD2-CD 3.69Å; F352-K356 HydrophobicContact CD2-CG 4.28Å; F352-K356 HydrophobicContact CE2-CB 3.74Å; F352-K356 HydrophobicContact CE2-CD 3.65Å; F352-K356 HydrophobicContact CE2-CG 4.3Å; F352-K356 HydrophobicContact CG-CB 4.39Å; F352-K356 HydrophobicContact CZ-CB 4.05Å; F352-K356 WeakPolarHBondContact O-CA 3.5Å; F352-K356 WeakPolarHBondContact O-CB 3.2Å; F352-K356 PolarHBondContact O-N 3.03Å; F352-D357 HydrophobicContact CD1-CB 4.38Å; F352-D357 HydrophobicContact CE1-CB 3.99Å; F352-D357 PolarHBondContact O-N 3.08Å
353L86.6Confident84.6Confident10 Ų1075.9 Ų75.95%0.05238%0.383CS..Hα-helixtrans-62-42.7179.5-177.964.7000111.5E315 Y318 A349 L350 D351 D357 Y360E315-L353 HydrophobicContact CG-CD2 4.05Å; Y318-L353 HydrophobicContact CD1-CB 4.3Å; Y318-L353 HydrophobicContact CD1-CD2 3.95Å; Y318-L353 HydrophobicContact CD1-CG 4.49Å; Y318-L353 HydrophobicContact CD2-CD1 4.04Å; Y318-L353 HydrophobicContact CE1-CB 4.06Å; Y318-L353 HydrophobicContact CE2-CD1 4.14Å; Y318-L353 HydrophobicContact CG-CD1 4.22Å; Y318-L353 HydrophobicContact CG-CD2 4Å; A349-L353 PolarHBondContact O-N 3.05Å; L350-L353 HydrophobicContact CD2-CD2 4.4Å; L350-L353 WeakPolarHBondContact O-CB 3.27Å; L350-L353 PolarHBondContact O-N 2.74Å; D351-L353 PolarHBondContact O-N 3.16Å; L353-D357 HydrophobicContact CD1-CB 4.28Å; L353-Y360 HydrophobicContact CD1-CD1 3.93Å; L353-Y360 HydrophobicContact CD1-CG 4.22Å
354V79.3Confident84.6Confident76 Ų7675.5 Ų75.546%0.46138%0.383SS..Hα-helixtrans-72.4-41.4-179.3175.50000111.9L350 D351 F352L350-V354 WeakPolarHBondContact O-CG2 3.49Å; L350-V354 PolarHBondContact O-N 3.28Å; D351-V354 PolarHBondContact O-N 2.82Å; F352-V354 VanDerWaalsContact C-N 3.34Å; F352-V354 PolarHBondContact O-N 3.28Å
355E76.8Confident84.5Confident145 Ų14570.9 Ų70.968%0.67836%0.362SS*.Hα-helixtrans-88.4-37.6-173.5-68.1-168.1159.100114.5D351D351-E355 WeakPolarHBondContact O-CB 2.84Å; D351-E355 WeakPolarHBondContact O-CG 3.1Å; D351-E355 PolarHBondContact O-N 3.48Å
356K66.5Low84.3Confident148 Ų14869.2 Ų69.264%0.64335%0.351SS*.Hα-helixtrans-118.4-19.4-164-64-173.4-175.6168.50114.7F352F352-K356 HydrophobicContact CD2-CB 3.94Å; F352-K356 HydrophobicContact CD2-CD 3.69Å; F352-K356 HydrophobicContact CD2-CG 4.28Å; F352-K356 HydrophobicContact CE2-CB 3.74Å; F352-K356 HydrophobicContact CE2-CD 3.65Å; F352-K356 HydrophobicContact CE2-CG 4.3Å; F352-K356 HydrophobicContact CG-CB 4.39Å; F352-K356 HydrophobicContact CZ-CB 4.05Å; F352-K356 WeakPolarHBondContact O-CA 3.5Å; F352-K356 WeakPolarHBondContact O-CB 3.2Å; F352-K356 PolarHBondContact O-N 3.03Å
357D64.3Low84.2Confident43 Ų4369.8 Ų69.823%0.2336%0.355CS..  trans-12062.8-175.3-161.77.3000112.5F352 L353 E359 Y360F352-D357 HydrophobicContact CD1-CB 4.38Å; F352-D357 HydrophobicContact CE1-CB 3.99Å; F352-D357 PolarHBondContact O-N 3.08Å; L353-D357 HydrophobicContact CD1-CB 4.28Å; D357-E359 PolarHBondContact O-N 3.06Å; D357-Y360 VanDerWaalsContact CG-CB 3.48Å; D357-Y360 PolarHBondContact O-N 2.58Å; D357-Y360 VanDerWaalsContact OD2-CB 3.22Å; D357-Y360 WeakPolarHBondContact OD2-CB 3.39Å
358Q66.2Low84.3Confident163 Ų16373 Ų7376%0.76237%0.372SS*.THydrogen-bonded Turntrans-65.6-14.3178.7-68.6-178-6.700113.5
359E79.1Confident84.2Confident173 Ų17372 Ų7281%0.80836%0.363SS*.THydrogen-bonded Turntrans-91.6-19-177.4-67.6-175.2-179.400113.2D357 V362D357-E359 PolarHBondContact O-N 3.06Å; E359-V362 WeakPolarHBondContact O-CG2 3.34Å
360Y82.8Confident84.3Confident66 Ų6673.3 Ų73.326%0.25937%0.37SS..THydrogen-bonded Turntrans-75.7-43-175.7-170.2-84.1000113.2R317 Y318 E321 L353 D357R317-Y360 PolarHBondContact NH1-OH 3.21Å; R317-Y360 VanDerWaalsContact NH2-CE1 3.34Å; Y318-Y360 AromaticContact CD2-CD1 3.91Å; Y318-Y360 HydrophobicContact CD2-CD1 3.91Å; Y318-Y360 HydrophobicContact CD2-CD2 4.37Å; Y318-Y360 AromaticContact CD2-CE1 3.59Å; Y318-Y360 HydrophobicContact CD2-CE1 3.59Å; Y318-Y360 HydrophobicContact CD2-CE2 4.06Å; Y318-Y360 HydrophobicContact CD2-CG 4.29Å; Y318-Y360 AromaticContact CD2-CZ 3.64Å; Y318-Y360 HydrophobicContact CG-CE1 4.16Å; E321-Y360 PolarHBondContact OE2-OH 3.27Å; L353-Y360 HydrophobicContact CD1-CD1 3.93Å; L353-Y360 HydrophobicContact CD1-CG 4.22Å; D357-Y360 VanDerWaalsContact CG-CB 3.48Å; D357-Y360 PolarHBondContact O-N 2.58Å; D357-Y360 VanDerWaalsContact OD2-CB 3.22Å; D357-Y360 WeakPolarHBondContact OD2-CB 3.39Å
361C85.8Confident84.5Confident36 Ų3680.7 Ų80.724%0.24340%0.397CS..  trans-105.279.1179.3-65.90000112.2C314 C363C314-C361 HydrophobicContact CB-CB 3.91Å; C314-C361 WeakPolarHBondContact CB-SG 3.26Å; C314-C361 WeakPolarHBondContact SG-CA 3.12Å; C314-C361 WeakPolarHBondContact SG-CB 3.15Å; C314-C361 CovalentContact SG-SG 2.04Å; C314-C361 PolarHBondContact SG-SG 3.19Å; C361-C363 PolarHBondContact O-N 3.26Å
362V87.5Confident84.9Confident108 Ų10877.9 Ų77.966%0.65538%0.381SS*.  trans-9199.1173.5-175.50000110.3E359E359-V362 WeakPolarHBondContact O-CG2 3.34Å
363C88.4Confident85.3Confident30 Ų3074.5 Ų74.520%0.20337%0.372CS..  trans-101.9107.3175.7-68.10000111.2C310 R311 C361C310-C363 HydrophobicContact CB-CB 3.8Å; C310-C363 WeakPolarHBondContact CB-SG 3.32Å; C310-C363 WeakPolarHBondContact SG-CA 3.34Å; C310-C363 WeakPolarHBondContact SG-CB 3.22Å; C310-C363 CovalentContact SG-SG 2.05Å; C310-C363 PolarHBondContact SG-SG 3.35Å; R311-C363 HydrophobicContact CG-CB 4.34Å; R311-C363 PolarHBondContact N-SG 2.99Å; C361-C363 PolarHBondContact O-N 3.26Å
364E89.9Confident85.7Confident94 Ų9478.4 Ų78.444%0.43939%0.388SS..PPolyproline II helixtrans-72.1149176.7-66.4-176.6172.100111.7K291 Y305K291-E364 HydrophobicContact CB-CB 4.09Å; Y305-E364 VanDerWaalsContact CE1-O 3.31Å; Y305-E364 WeakPolarHBondContact CE1-O 3.04Å; Y305-E364 PolarHBondContact OH-N 2.78Å; Y305-E364 PolarHBondContact OH-O 3.48Å
365M90.5Very high86.5Confident67 Ų6781.4 Ų81.433%0.3340%0.397SS..PPolyproline II helixtrans-68.5135.6174.9-91.2-176.652.800111.2Y282 C290 K291 I307 L369Y282-M365 HydrophobicContact CD1-CE 4.41Å; Y282-M365 HydrophobicContact CD2-CE 3.76Å; Y282-M365 HydrophobicContact CE1-CE 3.95Å; Y282-M365 HydrophobicContact CE2-CE 3.21Å; Y282-M365 HydrophobicContact CG-CE 4.33Å; C290-M365 CarbonylContact C-O 3.49Å; C290-M365 WeakPolarHBondContact CA-O 3.34Å; C290-M365 VanDerWaalsContact CB-O 3.26Å; C290-M365 WeakPolarHBondContact CB-O 3.47Å; K291-M365 PolarHBondContact N-O 2.77Å; I307-M365 HydrophobicContact CD1-CG 3.56Å; I307-M365 HydrophobicContact CG1-CG 4.31Å; M365-L369 HydrophobicContact CE-CD1 4.41Å; M365-L369 HydrophobicContact CE-CD2 4.11Å
366P92.3Very high87.5Confident5 Ų578 Ų783%0.03238%0.383CS..BIsolated β-bridgetrans-64.9148.3170.726.1-31.9000110.8K291 V293 Y305 N368 L369K291-P366 WeakPolarHBondContact O-CA 3.47Å; V293-P366 HydrophobicContact CG2-CB 3.9Å; Y305-P366 HydrophobicContact CD1-CB 4.03Å; Y305-P366 HydrophobicContact CE1-CB 4.25Å; P366-N368 PolarHBondContact O-N 3.2Å; P366-L369 HydrophobicContact CG-CB 4.23Å; P366-L369 HydrophobicContact CG-CD2 4.4Å; P366-L369 WeakPolarHBondContact O-CD2 3.45Å
367C92.1Very high89Confident12 Ų1274.4 Ų74.48%0.08138%0.377CS..SBendtrans-68.3-24.5177.2-60.80000113.4I281 Y282 C290 K291I281-C367 CarbonylContact C-O 3.56Å; I281-C367 VanDerWaalsContact CA-O 3.28Å; I281-C367 WeakPolarHBondContact CA-O 3.29Å; Y282-C367 PolarHBondContact N-O 3.2Å; C290-C367 VanDerWaalsContact C-SG 3.54Å; C290-C367 HydrophobicContact CB-CB 3.94Å; C290-C367 WeakPolarHBondContact CB-SG 3.19Å; C290-C367 PolarHBondContact O-SG 3.27Å; C290-C367 WeakPolarHBondContact SG-CA 3.44Å; C290-C367 WeakPolarHBondContact SG-CB 3.45Å; C290-C367 CovalentContact SG-SG 2.03Å; C290-C367 PolarHBondContact SG-SG 3.49Å; K291-C367 PolarHBondContact O-N 2.78Å; K291-C367 PolarHBondContact O-SG 3.03Å; K291-C367 VanDerWaalsContact O-SG 3.36Å
368N92.4Very high90.6Very high105 Ų10576.7 Ų76.756%0.56139%0.387SS*.EExtended strand (participates in β ladder)trans-122.1121.4175.3-64.4-36.3000108.8P366P366-N368 PolarHBondContact O-N 3.2Å
369L91.6Very high92.1Very high41 Ų4172.3 Ų72.322%0.21537%0.371CS..EExtended strand (participates in β ladder)trans-141.5152.4170.958.2157.5000111.7L280 Y282 M365 P366L280-L369 HydrophobicContact CB-CD2 4.01Å; L280-L369 HydrophobicContact CB-CG 4.02Å; L280-L369 HydrophobicContact CD1-CD1 4.41Å; L280-L369 HydrophobicContact CD1-CG 4.25Å; L280-L369 PolarHBondContact N-O 3Å; L280-L369 PolarHBondContact O-N 2.75Å; Y282-L369 HydrophobicContact CD2-CD2 3.57Å; Y282-L369 HydrophobicContact CE2-CD2 3.38Å; Y282-L369 HydrophobicContact CE2-CG 4.42Å; M365-L369 HydrophobicContact CE-CD1 4.41Å; M365-L369 HydrophobicContact CE-CD2 4.11Å; P366-L369 HydrophobicContact CG-CB 4.23Å; P366-L369 HydrophobicContact CG-CD2 4.4Å; P366-L369 WeakPolarHBondContact O-CD2 3.45Å
370T93.6Very high93Very high43 Ų4372 Ų7226%0.26437%0.367SS..EExtended strand (participates in β ladder)trans-111.3125.3172.2-560000108.5E277 Q278 Y372E277-T370 HydrophobicContact CG-CG2 3.71Å; Q278-T370 CarbonylContact O-C 3.58Å; Q278-T370 WeakPolarHBondContact O-CA 3.46Å; T370-Y372 HydrophobicContact CG2-CE1 4.47Å; T370-Y372 HydrophobicContact CG2-CE2 4.18Å
371R94.3Very high93.7Very high159 Ų15969.8 Ų69.860%0.636%0.36SS*.EExtended strand (participates in β ladder)trans-117.1151.1176.6-175.9178.8176.5173.5-0.5109.1Q278 L280Q278-R371 HydrophobicContact CB-CB 4.4Å; Q278-R371 PolarHBondContact N-O 3.11Å; Q278-R371 PolarHBondContact O-N 3.06Å; L280-R371 HydrophobicContact CD1-CB 3.7Å
372Y95.9Very high94.2Very high21 Ų2169 Ų698%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-111.5107174-60.8-83.3000109.2P88 I249 Q276 E277 T370 F412P88-Y372 HydrophobicContact CB-CD1 4.24Å; P88-Y372 HydrophobicContact CB-CD2 4.09Å; P88-Y372 HydrophobicContact CB-CE1 3.89Å; P88-Y372 HydrophobicContact CB-CE2 3.75Å; P88-Y372 HydrophobicContact CB-CG 4.33Å; P88-Y372 HydrophobicContact CG-CD1 4.33Å; P88-Y372 HydrophobicContact CG-CE1 4.21Å; I249-Y372 HydrophobicContact CG2-CD2 4.06Å; I249-Y372 HydrophobicContact CG2-CG 3.91Å; Q276-Y372 CarbonylContact O-C 3.47Å; Q276-Y372 WeakPolarHBondContact O-CA 3.39Å; E277-Y372 HydrophobicContact CB-CD1 4.42Å; E277-Y372 HydrophobicContact CB-CE1 4.19Å; E277-Y372 HydrophobicContact CG-CE1 4.07Å; T370-Y372 HydrophobicContact CG2-CE1 4.47Å; T370-Y372 HydrophobicContact CG2-CE2 4.18Å; Y372-F412 HydrophobicContact CD1-CE1 4.2Å; Y372-F412 HydrophobicContact CD1-CZ 4.43Å; Y372-F412 HydrophobicContact CE1-CE1 4.23Å; Y372-F412 HydrophobicContact CE1-CZ 4.09Å
373G95.3Very high94.6Very high20 Ų2066.8 Ų66.821%0.20634%0.344CS..EExtended strand (participates in β ladder)trans-64.1141.5165.200000108.8C275 Q276C275-G373 CarbonylContact C-O 3.48Å; C275-G373 VanDerWaalsContact CA-O 3.25Å; C275-G373 WeakPolarHBondContact CA-O 3.19Å; Q276-G373 PolarHBondContact N-O 3.31Å; Q276-G373 PolarHBondContact O-N 2.88Å
374K95.4Very high94.9Very high91 Ų9175.5 Ų75.540%0.39638%0.378SS..EExtended strand (participates in β ladder)trans-140.5136.8-176.461.7179.4-178.8-76.40112F263 V273 A274 L376F263-K374 HydrophobicContact CD1-CD 3.77Å; F263-K374 VanDerWaalsContact CD1-CE 3.47Å; F263-K374 HydrophobicContact CE1-CD 3.88Å; F263-K374 HydrophobicContact CG-CD 4.46Å; V273-K374 HydrophobicContact CG1-CB 3.95Å; A274-K374 CarbonylContact O-C 3.57Å; A274-K374 VanDerWaalsContact O-CA 3.31Å; A274-K374 WeakPolarHBondContact O-CA 3.34Å; K374-L376 HydrophobicContact CB-CD1 4.47Å; K374-L376 HydrophobicContact CD-CD1 4.11Å; K374-L376 HydrophobicContact CG-CD1 4.06Å
375E96.9Very high95.2Very high139 Ų13975.3 Ų75.365%0.6539%0.393SS*.EExtended strand (participates in β ladder)trans-118.3129.2170.6-61.2-169.216800109.3V273 A274V273-E375 WeakPolarHBondContact CA-O 3.21Å; A274-E375 HydrophobicContact CB-CB 4.48Å; A274-E375 PolarHBondContact N-O 2.88Å; A274-E375 PolarHBondContact O-N 2.76Å
376L97.4Very high95.5Very high75 Ų7573.9 Ų73.939%0.39339%0.389SS..EExtended strand (participates in β ladder)trans-106.6133.7-176-71.480.8000110.2F263 F272 V273 K374F263-L376 HydrophobicContact CD2-CD2 3.67Å; F263-L376 HydrophobicContact CE2-CD2 4.06Å; F263-L376 HydrophobicContact CG-CD2 4.38Å; F272-L376 WeakPolarHBondContact O-CA 3.41Å; V273-L376 HydrophobicContact CG2-CG 4.43Å; K374-L376 HydrophobicContact CB-CD1 4.47Å; K374-L376 HydrophobicContact CD-CD1 4.11Å; K374-L376 HydrophobicContact CG-CD1 4.06Å
377S97.9Very high95.6Very high72 Ų7274.1 Ų74.150%0.50339%0.392SS..EExtended strand (participates in β ladder)trans-138.5155167.661.80000110.2T271 F272T271-S377 CarbonylContact C-O 3.59Å; T271-S377 WeakPolarHBondContact CA-O 3.37Å; F272-S377 PolarHBondContact N-O 3.35Å; F272-S377 PolarHBondContact O-N 2.94Å
378M97.9Very high95.8Very high91 Ų9180.6 Ų80.645%0.44842%0.418SS..EExtended strand (participates in β ladder)trans-138.4144.8-171.5-61.4176.5-17300111.5F269 Q270 T271F269-M378 HydrophobicContact CB-CB 4.48Å; F269-M378 HydrophobicContact CD1-CB 4.31Å; Q270-M378 WeakPolarHBondContact O-CA 3.46Å; T271-M378 HydrophobicContact CG2-CE 3.98Å; T271-M378 HydrophobicContact CG2-CG 4.02Å
379V98.1Very high96Very high71 Ų7182.7 Ų82.743%0.4342%0.42SS..EExtended strand (participates in β ladder)trans-128.9151.7169.1-60.70000110F269 Q270 F272F269-V379 CarbonylContact C-O 3.57Å; F269-V379 VanDerWaalsContact CA-O 3.29Å; F269-V379 WeakPolarHBondContact CA-O 3.28Å; Q270-V379 HydrophobicContact CB-CG2 3.77Å; Q270-V379 HydrophobicContact CG-CG2 4.3Å; Q270-V379 PolarHBondContact N-O 2.81Å; Q270-V379 PolarHBondContact O-N 2.64Å; F272-V379 HydrophobicContact CE2-CB 4.47Å; F272-V379 HydrophobicContact CE2-CG1 4.03Å; F272-V379 HydrophobicContact CE2-CG2 3.71Å; F272-V379 HydrophobicContact CZ-CG2 4.22Å
380K97.9Very high96.2Very high166 Ų16681.5 Ų81.572%0.72241%0.413SS*.EExtended strand (participates in β ladder)trans-73.2133.6-178-176.7177179.5175.80111.7F269F269-K380 HydrophobicContact CE1-CB 4.48Å
381I96.9Very high96.4Very high20 Ų2080 Ų8010%0.10341%0.405CS..SBendtrans-128.5139169.6-167.3177.6000109.7M221 G268 F269 V407M221-I381 HydrophobicContact CE-CD1 4.41Å; G268-I381 CarbonylContact C-O 3.54Å; G268-I381 VanDerWaalsContact C-O 3.25Å; G268-I381 VanDerWaalsContact CA-O 3.32Å; G268-I381 WeakPolarHBondContact CA-O 3.24Å; G268-I381 PolarHBondContact O-N 3.47Å; F269-I381 VanDerWaalsContact C-CG2 3.43Å; I381-V407 HydrophobicContact CD1-CG2 3.55Å
382P96.6Very high96.5Very high19 Ų1981.2 Ų81.212%0.12342%0.415CS..SBendcis-80.5158.1-6.232.6-33.7000113.7S386 A387 L390 I401P382-S386 WeakPolarHBondContact CB-OG 3.46Å; P382-A387 HydrophobicContact CB-CB 4.21Å; P382-A387 HydrophobicContact CG-CB 3.88Å; P382-L390 HydrophobicContact CB-CD1 4Å; P382-I401 HydrophobicContact CB-CG2 4.44Å; P382-I401 HydrophobicContact CG-CG2 3.8Å
383S95.9Very high96.5Very high62 Ų6285.9 Ų85.943%0.43444%0.435SS..  trans-66158.7160.678.20000110.6A385 S386 A387S383-A385 PolarHBondContact O-N 3.41Å; S383-A385 VanDerWaalsContact O-N 3.12Å; S383-A385 PolarHBondContact OG-N 3.36Å; S383-S386 PolarHBondContact N-OG 3.32Å; S383-S386 VanDerWaalsContact N-OG 3.07Å; S383-S386 PolarHBondContact O-N 2.9Å; S383-S386 VanDerWaalsContact O-N 3.13Å; S383-S386 PolarHBondContact O-OG 2.94Å; S383-S386 PolarHBondContact OG-N 2.87Å; S383-S386 VanDerWaalsContact OG-N 3.12Å; S383-S386 PolarHBondContact OG-OG 2.96Å; S383-A387 PolarHBondContact O-N 3.36Å
384K95.1Very high96.5Very high212 Ų21287.2 Ų87.292%0.92244%0.436SS*.THydrogen-bonded Turntrans-56.4-29.9174.9-67.1-177.1179.2179.70112.9
385A95.8Very high96.6Very high91 Ų9190 Ų9075%0.75246%0.455SS*.THydrogen-bonded Turntrans-77.2-38.4179.400000112.3S383S383-A385 PolarHBondContact O-N 3.41Å; S383-A385 VanDerWaalsContact O-N 3.12Å; S383-A385 PolarHBondContact OG-N 3.36Å
386S95.8Very high96.5Very high37 Ų3787 Ų8726%0.25944%0.439SS..THydrogen-bonded Turntrans-86.4-18.3-176.757.90000113.9P382 S383 K388 Y389 L390P382-S386 WeakPolarHBondContact CB-OG 3.46Å; S383-S386 PolarHBondContact N-OG 3.32Å; S383-S386 VanDerWaalsContact N-OG 3.07Å; S383-S386 PolarHBondContact O-N 2.9Å; S383-S386 VanDerWaalsContact O-N 3.13Å; S383-S386 PolarHBondContact O-OG 2.94Å; S383-S386 PolarHBondContact OG-N 2.87Å; S383-S386 VanDerWaalsContact OG-N 3.12Å; S383-S386 PolarHBondContact OG-OG 2.96Å; S386-K388 PolarHBondContact O-N 3.38Å; S386-Y389 WeakPolarHBondContact O-CB 3.49Å; S386-Y389 PolarHBondContact O-N 3.4Å; S386-Y389 VanDerWaalsContact O-N 3.12Å; S386-L390 PolarHBondContact O-N 2.85Å
387A95.6Very high96.5Very high10 Ų1086.7 Ų86.78%0.08344%0.444CS..Hα-helixtrans-53.2-53-176.200000113P382 S383 Y389 L390 A391P382-A387 HydrophobicContact CB-CB 4.21Å; P382-A387 HydrophobicContact CG-CB 3.88Å; S383-A387 PolarHBondContact O-N 3.36Å; A387-Y389 VanDerWaalsContact C-N 3.28Å; A387-Y389 PolarHBondContact O-N 2.84Å; A387-L390 PolarHBondContact O-N 2.75Å; A387-A391 WeakPolarHBondContact O-CB 3.15Å; A387-A391 PolarHBondContact O-N 3.36Å
388K95.6Very high96.4Very high148 Ų14888.1 Ų88.164%0.64344%0.443SS*.Hα-helixtrans-60.7-36.9178-76.4179.1-178.8-175.40113.3S386 K392 E398S386-K388 PolarHBondContact O-N 3.38Å; K388-K392 WeakPolarHBondContact O-CB 3.08Å; K388-K392 PolarHBondContact O-N 2.88Å; K388-K392 VanDerWaalsContact O-N 3.12Å; K388-E398 WeakPolarHBondContact CG-OE1 3.49Å
389Y96.5Very high96.3Very high149 Ų14990 Ų9058%0.58445%0.45SS*.Hα-helixtrans-67.6-48.8179.8172.9-97.1000110.9S386 A387 K392 K393S386-Y389 WeakPolarHBondContact O-CB 3.49Å; S386-Y389 PolarHBondContact O-N 3.4Å; S386-Y389 VanDerWaalsContact O-N 3.12Å; A387-Y389 VanDerWaalsContact C-N 3.28Å; A387-Y389 PolarHBondContact O-N 2.84Å; Y389-K392 PolarHBondContact O-N 3.36Å; Y389-K393 HydrophobicContact CE1-CD 3.92Å; Y389-K393 VanDerWaalsContact O-CB 3.31Å; Y389-K393 WeakPolarHBondContact O-CB 3.43Å; Y389-K393 PolarHBondContact O-N 3.04Å
390L96.3Very high96.2Very high15 Ų1587.9 Ų87.98%0.07944%0.435CS..Hα-helixtrans-65.1-42.6179.1-64.6-177.4000111.9P382 S386 A387 K392 K393 F394 I401P382-L390 HydrophobicContact CB-CD1 4Å; S386-L390 PolarHBondContact O-N 2.85Å; A387-L390 PolarHBondContact O-N 2.75Å; L390-K392 VanDerWaalsContact C-N 3.31Å; L390-K392 PolarHBondContact O-N 3.03Å; L390-K393 PolarHBondContact O-N 2.88Å; L390-F394 HydrophobicContact CB-CD2 4.44Å; L390-F394 HydrophobicContact CD2-CE2 4Å; L390-F394 WeakPolarHBondContact O-CD2 3.39Å; L390-F394 PolarHBondContact O-N 3.17Å; L390-I401 HydrophobicContact CB-CD1 4.32Å; L390-I401 HydrophobicContact CB-CG1 4.36Å; L390-I401 HydrophobicContact CB-CG2 4.03Å; L390-I401 HydrophobicContact CD1-CG2 4.03Å
391A96.4Very high96.2Very high11 Ų1180 Ų809%0.09140%0.401CS..Hα-helixtrans-54.6-47174.900000111.5A387 N395 K396 E398 I401A387-A391 WeakPolarHBondContact O-CB 3.15Å; A387-A391 PolarHBondContact O-N 3.36Å; A391-N395 WeakPolarHBondContact O-CA 3.23Å; A391-N395 PolarHBondContact O-N 2.85Å; A391-K396 CarbonylContact C-O 3.46Å; A391-K396 WeakPolarHBondContact CA-O 3.44Å; A391-K396 VanDerWaalsContact CB-O 3.28Å; A391-K396 WeakPolarHBondContact CB-O 3.33Å; A391-K396 PolarHBondContact O-N 3.29Å; A391-K396 VanDerWaalsContact O-O 3.11Å; A391-E398 HydrophobicContact CB-CG 3.96Å; A391-I401 HydrophobicContact CB-CG1 4.3Å
392K96.8Very high96.1Very high185 Ų18580.6 Ų80.680%0.80441%0.411SS*.Hα-helixtrans-70.5-39.5177.1-172.2177179.9-179.50113K388 Y389 L390 N395K388-K392 WeakPolarHBondContact O-CB 3.08Å; K388-K392 PolarHBondContact O-N 2.88Å; K388-K392 VanDerWaalsContact O-N 3.12Å; Y389-K392 PolarHBondContact O-N 3.36Å; L390-K392 VanDerWaalsContact C-N 3.31Å; L390-K392 PolarHBondContact O-N 3.03Å; K392-N395 PolarHBondContact O-N 3.15Å
393K96.4Very high96.2Very high119 Ų11983.8 Ų83.852%0.51743%0.425SS..Hα-helixtrans-62.7-43-178.4-179.5178.5176.4-176.60111.5Y389 L390Y389-K393 HydrophobicContact CE1-CD 3.92Å; Y389-K393 VanDerWaalsContact O-CB 3.31Å; Y389-K393 WeakPolarHBondContact O-CB 3.43Å; Y389-K393 PolarHBondContact O-N 3.04Å; L390-K393 PolarHBondContact O-N 2.88Å
394F95Very high96.3Very high48 Ų4881 Ų8121%0.21141%0.405CS..Hα-helixtrans-99.33.6-177.6-60-61.9000113.6L170 M221 L390 K396 I401L170-F394 HydrophobicContact CB-CE1 3.91Å; L170-F394 HydrophobicContact CB-CZ 3.91Å; L170-F394 HydrophobicContact CD1-CD1 4.21Å; L170-F394 HydrophobicContact CD1-CD2 4.19Å; L170-F394 HydrophobicContact CD1-CE1 3.95Å; L170-F394 HydrophobicContact CD1-CE2 3.91Å; L170-F394 HydrophobicContact CD1-CG 4.33Å; L170-F394 HydrophobicContact CD1-CZ 3.78Å; L170-F394 HydrophobicContact CD2-CD1 4.08Å; L170-F394 HydrophobicContact CD2-CE1 4Å; L170-F394 HydrophobicContact CG-CE1 4.19Å; L170-F394 HydrophobicContact CG-CZ 4.34Å; M221-F394 HydrophobicContact SD-CE2 4.03Å; M221-F394 HydrophobicContact SD-CZ 4.07Å; L390-F394 HydrophobicContact CB-CD2 4.44Å; L390-F394 HydrophobicContact CD2-CE2 4Å; L390-F394 WeakPolarHBondContact O-CD2 3.39Å; L390-F394 PolarHBondContact O-N 3.17Å; F394-K396 VanDerWaalsContact C-N 3.33Å; F394-K396 HydrophobicContact CB-CG 4.43Å; F394-K396 PolarHBondContact O-N 3.45Å; F394-I401 HydrophobicContact CD2-CD1 4.33Å
395N96.9Very high96.4Very high150 Ų15071 Ų7180%0.80236%0.362SS*.THydrogen-bonded Turntrans54.146.4-178.4-166.942.6000113.1A391 K392A391-N395 WeakPolarHBondContact O-CA 3.23Å; A391-N395 PolarHBondContact O-N 2.85Å; K392-N395 PolarHBondContact O-N 3.15Å
396K96.5Very high96.5Very high75 Ų7566.7 Ų66.733%0.32633%0.326SS..  trans-127.6165-179.9-65-73.1-173.3152.40110.4D227 A391 F394 Y400 I401D227-K396 IonicContact OD2-NZ 3.23Å; A391-K396 CarbonylContact C-O 3.46Å; A391-K396 WeakPolarHBondContact CA-O 3.44Å; A391-K396 VanDerWaalsContact CB-O 3.28Å; A391-K396 WeakPolarHBondContact CB-O 3.33Å; A391-K396 PolarHBondContact O-N 3.29Å; A391-K396 VanDerWaalsContact O-O 3.11Å; F394-K396 VanDerWaalsContact C-N 3.33Å; F394-K396 HydrophobicContact CB-CG 4.43Å; F394-K396 PolarHBondContact O-N 3.45Å; K396-Y400 HydrophobicContact CB-CD1 3.74Å; K396-Y400 HydrophobicContact CB-CE1 4.48Å; K396-Y400 HydrophobicContact CB-CG 4.14Å; K396-Y400 HydrophobicContact CD-CD1 3.62Å; K396-Y400 HydrophobicContact CD-CD2 4.41Å; K396-Y400 HydrophobicContact CD-CE1 3.59Å; K396-Y400 HydrophobicContact CD-CE2 4.39Å; K396-Y400 HydrophobicContact CD-CG 4.04Å; K396-Y400 HydrophobicContact CG-CD1 3.65Å; K396-Y400 HydrophobicContact CG-CE1 3.89Å; K396-Y400 HydrophobicContact CG-CG 4.34Å; K396-Y400 PolarHBondContact NZ-OH 3.37Å; K396-I401 HydrophobicContact CB-CD1 4.08Å
397S97.2Very high96.7Very high70 Ų7065.1 Ų65.149%0.4931%0.314SS..  trans-74.2155.9175.872.80000111.3Q399 Y400 I401S397-Q399 PolarHBondContact O-N 3.2Å; S397-Y400 WeakPolarHBondContact O-CB 3.24Å; S397-Y400 PolarHBondContact O-N 3.16Å; S397-Y400 VanDerWaalsContact O-N 3.16Å; S397-Y400 WeakPolarHBondContact OG-CB 3.08Å; S397-Y400 PolarHBondContact OG-N 3.43Å; S397-I401 WeakPolarHBondContact O-CG1 3.08Å; S397-I401 PolarHBondContact O-N 3.13Å; S397-I401 VanDerWaalsContact O-N 3.11Å
398E94.7Very high96.8Very high101 Ų10164.7 Ų64.747%0.47231%0.311SS..Hα-helixtrans-59.6-33.7175.7-67.6-175.9-155.500112.2K388 A391 I401 G402K388-E398 WeakPolarHBondContact CG-OE1 3.49Å; A391-E398 HydrophobicContact CB-CG 3.96Å; E398-I401 PolarHBondContact O-N 3.21Å; E398-G402 PolarHBondContact O-N 3.23Å
399Q95.8Very high96.9Very high130 Ų13057.8 Ų57.861%0.60728%0.281SS*.Hα-helixtrans-64.8-47.8174.7-178.1174.3-1.400111.2S397 I401 G402 E403S397-Q399 PolarHBondContact O-N 3.2Å; Q399-I401 PolarHBondContact O-N 3.06Å; Q399-G402 PolarHBondContact O-N 3.08Å; Q399-E403 HydrophobicContact CG-CG 4.46Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.25Å; Q399-E403 PolarHBondContact NE2-OE1 3.1Å; Q399-E403 PolarHBondContact O-N 2.8Å
400Y97.3Very high97Very high28 Ų2850.7 Ų50.711%0.1125%0.253CS..Hα-helixtrans-56.8-40.8177.8-171.2-85.4000111.7D227 K396 S397 G402 E403 N404D227-Y400 HydrophobicContact CB-CE2 4.47Å; D227-Y400 WeakPolarHBondContact OD1-CE2 3.35Å; D227-Y400 PolarHBondContact OD1-OH 2.89Å; K396-Y400 HydrophobicContact CB-CD1 3.74Å; K396-Y400 HydrophobicContact CB-CE1 4.48Å; K396-Y400 HydrophobicContact CB-CG 4.14Å; K396-Y400 HydrophobicContact CD-CD1 3.62Å; K396-Y400 HydrophobicContact CD-CD2 4.41Å; K396-Y400 HydrophobicContact CD-CE1 3.59Å; K396-Y400 HydrophobicContact CD-CE2 4.39Å; K396-Y400 HydrophobicContact CD-CG 4.04Å; K396-Y400 HydrophobicContact CG-CD1 3.65Å; K396-Y400 HydrophobicContact CG-CE1 3.89Å; K396-Y400 HydrophobicContact CG-CG 4.34Å; K396-Y400 PolarHBondContact NZ-OH 3.37Å; S397-Y400 WeakPolarHBondContact O-CB 3.24Å; S397-Y400 PolarHBondContact O-N 3.16Å; S397-Y400 VanDerWaalsContact O-N 3.16Å; S397-Y400 WeakPolarHBondContact OG-CB 3.08Å; S397-Y400 PolarHBondContact OG-N 3.43Å; Y400-G402 VanDerWaalsContact C-N 3.33Å; Y400-G402 PolarHBondContact O-N 3.25Å; Y400-E403 PolarHBondContact O-N 3.39Å; Y400-N404 HydrophobicContact CD1-CB 4.05Å; Y400-N404 WeakPolarHBondContact CD2-ND2 3.29Å; Y400-N404 HydrophobicContact CE1-CB 3.74Å; Y400-N404 WeakPolarHBondContact CE2-ND2 3.15Å; Y400-N404 WeakPolarHBondContact O-CB 3.36Å; Y400-N404 PolarHBondContact O-N 3.47Å; Y400-N404 PolarHBondContact O-ND2 3.39Å
401I97.2Very high97.1Very high1 Ų151.1 Ų51.11%0.00525%0.254CS..Hα-helixtrans-61-42.6178.1-61.3-61000111.5P382 L390 A391 F394 K396 S397 E398 Q399 E403 I405P382-I401 HydrophobicContact CB-CG2 4.44Å; P382-I401 HydrophobicContact CG-CG2 3.8Å; L390-I401 HydrophobicContact CB-CD1 4.32Å; L390-I401 HydrophobicContact CB-CG1 4.36Å; L390-I401 HydrophobicContact CB-CG2 4.03Å; L390-I401 HydrophobicContact CD1-CG2 4.03Å; A391-I401 HydrophobicContact CB-CG1 4.3Å; F394-I401 HydrophobicContact CD2-CD1 4.33Å; K396-I401 HydrophobicContact CB-CD1 4.08Å; S397-I401 WeakPolarHBondContact O-CG1 3.08Å; S397-I401 PolarHBondContact O-N 3.13Å; S397-I401 VanDerWaalsContact O-N 3.11Å; E398-I401 PolarHBondContact O-N 3.21Å; Q399-I401 PolarHBondContact O-N 3.06Å; I401-E403 VanDerWaalsContact C-N 3.35Å; I401-I405 HydrophobicContact CB-CG1 4.44Å; I401-I405 HydrophobicContact CD1-CG1 3.93Å; I401-I405 HydrophobicContact CG2-CB 4.38Å; I401-I405 HydrophobicContact CG2-CG1 4.07Å; I401-I405 WeakPolarHBondContact O-CB 3.27Å; I401-I405 PolarHBondContact O-N 2.84Å
402G95.7Very high97.1Very high31 Ų3150.7 Ų50.732%0.3225%0.251SS..Hα-helixtrans-71.6-27.7179.600000114.1G268 E398 Q399 Y400G268-G402 VanDerWaalsContact CA-O 3.27Å; G268-G402 WeakPolarHBondContact CA-O 3.46Å; E398-G402 PolarHBondContact O-N 3.23Å; Q399-G402 PolarHBondContact O-N 3.08Å; Y400-G402 VanDerWaalsContact C-N 3.33Å; Y400-G402 PolarHBondContact O-N 3.25Å
403E97.3Very high96.8Very high87 Ų8747.3 Ų47.341%0.40724%0.238SC..Hα-helixtrans-92.2-24.6-177.3-70.1169.2-177.800113.1Q226 P267 Q399 Y400 I401Q226-E403 PolarHBondContact NE2-O 2.93Å; P267-E403 WeakPolarHBondContact CB-O 3.09Å; P267-E403 VanDerWaalsContact CG-O 3.3Å; P267-E403 WeakPolarHBondContact CG-O 3.3Å; Q399-E403 HydrophobicContact CG-CG 4.46Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.25Å; Q399-E403 PolarHBondContact NE2-OE1 3.1Å; Q399-E403 PolarHBondContact O-N 2.8Å; Y400-E403 PolarHBondContact O-N 3.39Å; I401-E403 VanDerWaalsContact C-N 3.35Å
404N97.9Very high96.5Very high3 Ų345.2 Ų45.22%0.01623%0.234CC..Hα-helixtrans-117.6-25.7-171.5-64.5-81.3000115.1D223 I224 Q226 Y400D223-N404 WeakPolarHBondContact OD1-CB 3.05Å; I224-N404 HydrophobicContact CG1-CB 4.28Å; I224-N404 WeakPolarHBondContact CG1-O 3.33Å; I224-N404 PolarHBondContact N-O 3.13Å; I224-N404 VanDerWaalsContact N-O 3.08Å; Q226-N404 WeakPolarHBondContact CB-OD1 3.4Å; Q226-N404 VanDerWaalsContact CG-OD1 3.26Å; Q226-N404 WeakPolarHBondContact CG-OD1 3.04Å; Q226-N404 PolarHBondContact N-OD1 2.82Å; Y400-N404 HydrophobicContact CD1-CB 4.05Å; Y400-N404 WeakPolarHBondContact CD2-ND2 3.29Å; Y400-N404 HydrophobicContact CE1-CB 3.74Å; Y400-N404 WeakPolarHBondContact CE2-ND2 3.15Å; Y400-N404 WeakPolarHBondContact O-CB 3.36Å; Y400-N404 PolarHBondContact O-N 3.47Å; Y400-N404 PolarHBondContact O-ND2 3.39Å
405I98.1Very high96.1Very high3 Ų344.2 Ų44.22%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-89.1130.4-174.3-55.1-50.1000110.5L170 M221 L222 D223 G268 I401L170-I405 HydrophobicContact CD1-CD1 3.47Å; L170-I405 VanDerWaalsContact CD1-CD1 3.47Å; L170-I405 HydrophobicContact CD1-CG1 4.44Å; M221-I405 HydrophobicContact CG-CG2 3.77Å; M221-I405 HydrophobicContact SD-CG2 4.11Å; L222-I405 WeakPolarHBondContact O-CA 3.5Å; D223-I405 HydrophobicContact CB-CD1 3.71Å; G268-I405 PolarHBondContact N-O 2.91Å; I401-I405 HydrophobicContact CB-CG1 4.44Å; I401-I405 HydrophobicContact CD1-CG1 3.93Å; I401-I405 HydrophobicContact CG2-CB 4.38Å; I401-I405 HydrophobicContact CG2-CG1 4.07Å; I401-I405 WeakPolarHBondContact O-CB 3.27Å; I401-I405 PolarHBondContact O-N 2.84Å
406L98.4Very high95.7Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-126.9156.1167.260.696.6000111.1M221 L222 I224 I245 V265 L408M221-L406 WeakPolarHBondContact CA-O 3.23Å; L222-L406 HydrophobicContact CB-CD1 3.97Å; L222-L406 HydrophobicContact CB-CG 4.11Å; L222-L406 HydrophobicContact CD1-CD1 4.11Å; L222-L406 HydrophobicContact CG-CD1 4.44Å; L222-L406 PolarHBondContact N-O 3.27Å; L222-L406 PolarHBondContact O-N 3.47Å; I224-L406 HydrophobicContact CG2-CD2 3.47Å; I224-L406 VanDerWaalsContact CG2-CD2 3.47Å; I224-L406 HydrophobicContact CG2-CG 4.47Å; I245-L406 HydrophobicContact CD1-CD1 3.8Å; I245-L406 HydrophobicContact CD1-CD2 4.27Å; I245-L406 HydrophobicContact CG1-CD1 4.4Å; I245-L406 HydrophobicContact CG1-CD2 4.06Å; I245-L406 HydrophobicContact CG2-CD2 4.22Å; V265-L406 HydrophobicContact CG1-CD1 4.09Å; L406-L408 HydrophobicContact CD1-CB 4.43Å
407V98.5Very high95.4Very high3 Ų336.6 Ų36.62%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-121.3136.2169.3-179.90000108.3E219 I220 M221 F269 Q270 T271 I381E219-V407 HydrophobicContact CG-CG1 4.39Å; I220-V407 CarbonylContact O-C 3.51Å; I220-V407 VanDerWaalsContact O-CA 3.28Å; I220-V407 WeakPolarHBondContact O-CA 3.29Å; M221-V407 HydrophobicContact CB-CG2 4.15Å; M221-V407 HydrophobicContact CE-CG2 3.71Å; M221-V407 HydrophobicContact CG-CG2 3.95Å; F269-V407 PolarHBondContact O-N 3.49Å; Q270-V407 CarbonylContact C-O 3.58Å; Q270-V407 VanDerWaalsContact CA-O 3.29Å; Q270-V407 WeakPolarHBondContact CA-O 3.42Å; Q270-V407 HydrophobicContact CB-CB 3.87Å; Q270-V407 HydrophobicContact CB-CG1 4.4Å; Q270-V407 HydrophobicContact CG-CB 3.79Å; Q270-V407 HydrophobicContact CG-CG1 3.76Å; T271-V407 PolarHBondContact N-O 3.04Å; I381-V407 HydrophobicContact CD1-CG2 3.55Å
408L98.5Very high95.2Very high1 Ų134.9 Ų34.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-125.6120.6179.217764000109.4E219 I220 I245 V247 V265 T271 V273 L406 I410E219-L408 WeakPolarHBondContact CA-O 3.26Å; I220-L408 HydrophobicContact CD1-CB 4.35Å; I220-L408 HydrophobicContact CD1-CD2 4.14Å; I220-L408 HydrophobicContact CG1-CB 3.83Å; I220-L408 HydrophobicContact CG1-CD2 4.47Å; I220-L408 PolarHBondContact N-O 3.19Å; I220-L408 PolarHBondContact O-N 3.36Å; I245-L408 HydrophobicContact CD1-CD2 4.48Å; V247-L408 HydrophobicContact CG1-CD2 4.21Å; V247-L408 HydrophobicContact CG2-CD2 3.84Å; V265-L408 HydrophobicContact CG1-CD1 4.48Å; V265-L408 HydrophobicContact CG2-CD1 4.07Å; T271-L408 HydrophobicContact CG2-CD1 4.41Å; V273-L408 HydrophobicContact CG2-CD1 3.72Å; L406-L408 HydrophobicContact CD1-CB 4.43Å; L408-I410 HydrophobicContact CD1-CG1 4.17Å; L408-I410 HydrophobicContact CD2-CD1 3.94Å; L408-I410 HydrophobicContact CD2-CG1 4.41Å; L408-I410 HydrophobicContact CG-CD1 4.14Å; L408-I410 HydrophobicContact CG-CG1 4.06Å
409D98.3Very high95.2Very high3 Ų331 Ų312%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-113.1112.7178-67.9-70.3000109.6L218 E219 Q270 T271 F272 V273 F411L218-D409 CarbonylContact O-C 3.51Å; L218-D409 WeakPolarHBondContact O-CA 3.49Å; E219-D409 VanDerWaalsContact CB-OD1 3.31Å; E219-D409 WeakPolarHBondContact CB-OD1 3.22Å; E219-D409 VanDerWaalsContact CG-OD1 3.22Å; E219-D409 WeakPolarHBondContact CG-OD1 3.42Å; Q270-D409 VanDerWaalsContact CG-OD2 3.29Å; Q270-D409 WeakPolarHBondContact CG-OD2 3.16Å; Q270-D409 PolarHBondContact NE2-OD2 2.93Å; T271-D409 PolarHBondContact O-N 3.48Å; F272-D409 HydrophobicContact CD1-CB 3.73Å; F272-D409 HydrophobicContact CE1-CB 4.27Å; F272-D409 WeakPolarHBondContact CE1-OD2 3.17Å; V273-D409 PolarHBondContact N-O 3.32Å; D409-F411 HydrophobicContact CB-CD1 4.44Å
410I98.4Very high95.1Very high1 Ų126.8 Ų26.81%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-115.2118.5176.9-61.1168.8000108.7F87 V90 G217 L218 V247 I249 V273 L408F87-I410 HydrophobicContact CE2-CG2 4.42Å; F87-I410 HydrophobicContact CZ-CB 4.25Å; F87-I410 HydrophobicContact CZ-CG2 3.9Å; F87-I410 WeakPolarHBondContact CZ-O 3.35Å; V90-I410 HydrophobicContact CB-CD1 4.25Å; V90-I410 HydrophobicContact CG1-CD1 3.42Å; V90-I410 VanDerWaalsContact CG1-CD1 3.42Å; V90-I410 HydrophobicContact CG2-CD1 3.75Å; V90-I410 HydrophobicContact CG2-CG2 4.48Å; G217-I410 CarbonylContact C-O 3.25Å; G217-I410 WeakPolarHBondContact CA-O 3.4Å; L218-I410 PolarHBondContact N-O 3.03Å; L218-I410 PolarHBondContact O-N 2.82Å; V247-I410 HydrophobicContact CG1-CD1 4.36Å; I249-I410 HydrophobicContact CD1-CD1 4.12Å; I249-I410 HydrophobicContact CD1-CG1 4.34Å; I249-I410 HydrophobicContact CD1-CG2 3.85Å; I249-I410 HydrophobicContact CG1-CD1 4.27Å; V273-I410 HydrophobicContact CB-CG1 4.04Å; V273-I410 HydrophobicContact CG2-CG1 4.27Å; L408-I410 HydrophobicContact CD1-CG1 4.17Å; L408-I410 HydrophobicContact CD2-CD1 3.94Å; L408-I410 HydrophobicContact CD2-CG1 4.41Å; L408-I410 HydrophobicContact CG-CD1 4.14Å; L408-I410 HydrophobicContact CG-CG1 4.06Å
411F97.5Very high95Very high23 Ų2327.9 Ų27.910%0.10115%0.145CC..EExtended strand (participates in β ladder)trans-148.5162.2-176.160.6-82.3000111G213 T214 F272 V273 A274 C275 D409G213-F411 VanDerWaalsContact C-CD2 3.42Å; G213-F411 WeakPolarHBondContact O-CB 3.49Å; T214-F411 HydrophobicContact CG2-CD1 3.83Å; T214-F411 HydrophobicContact CG2-CE1 3.44Å; T214-F411 VanDerWaalsContact CG2-CE1 3.44Å; T214-F411 HydrophobicContact CG2-CE2 4.21Å; T214-F411 HydrophobicContact CG2-CG 4.38Å; T214-F411 HydrophobicContact CG2-CZ 3.65Å; F272-F411 HydrophobicContact CB-CE1 4.06Å; F272-F411 HydrophobicContact CD1-CE1 4.35Å; V273-F411 PolarHBondContact O-N 2.96Å; A274-F411 HydrophobicContact CB-CE2 4Å; A274-F411 HydrophobicContact CB-CZ 3.93Å; C275-F411 WeakPolarHBondContact CB-O 3.33Å; C275-F411 PolarHBondContact N-O 2.94Å; D409-F411 HydrophobicContact CB-CD1 4.44Å
412F96.8Very high94.9Very high3 Ų329.4 Ų29.41%0.01315%0.152CC..EExtended strand (participates in β ladder)trans-84.5135.4169.6-70.9-77.6000110.3L85 F87 T209 G212 G213 C275 E277 Y372L85-F412 HydrophobicContact CB-CE2 4.18Å; L85-F412 HydrophobicContact CB-CZ 4.38Å; L85-F412 HydrophobicContact CD1-CD1 4.2Å; L85-F412 HydrophobicContact CD1-CE1 4.33Å; L85-F412 HydrophobicContact CD1-CG 4.28Å; F87-F412 HydrophobicContact CD2-CD2 4.4Å; F87-F412 HydrophobicContact CD2-CE2 4.05Å; T209-F412 HydrophobicContact CG2-CD2 3.34Å; T209-F412 HydrophobicContact CG2-CE2 3.77Å; T209-F412 HydrophobicContact CG2-CG 4.35Å; G212-F412 CarbonylContact C-O 3.55Å; G212-F412 WeakPolarHBondContact CA-O 3.22Å; G213-F412 PolarHBondContact N-O 3.34Å; C275-F412 HydrophobicContact CB-CD1 4.14Å; C275-F412 HydrophobicContact CB-CE1 4.36Å; C275-F412 WeakPolarHBondContact O-CA 3.32Å; C275-F412 WeakPolarHBondContact O-CD1 3Å; E277-F412 HydrophobicContact CB-CE1 4.05Å; Y372-F412 HydrophobicContact CD1-CE1 4.2Å; Y372-F412 HydrophobicContact CD1-CZ 4.43Å; Y372-F412 HydrophobicContact CE1-CE1 4.23Å; Y372-F412 HydrophobicContact CE1-CZ 4.09Å
413E91.1Very high94.7Very high114 Ų11431.7 Ų31.753%0.53315%0.154SC..EExtended strand (participates in β ladder)trans-62.1-52.9177.3-170.7-169.5166.600110.7A274 C275A274-E413 HydrophobicContact CB-CB 4.49Å; C275-E413 PolarHBondContact O-N 3.05Å
414V89.5Confident94.4Very high74 Ų7431.2 Ų31.245%0.44815%0.15SC..EExtended strand (participates in β ladder)trans-134.4157.4176.9-177.20000108.3N416V414-N416 HydrophobicContact CG1-CB 4.49Å; V414-N416 PolarHBondContact O-N 3.24Å; V414-N416 PolarHBondContact O-OD1 3.4Å
415L86.9Confident93.9Very high27 Ų2732.8 Ų32.814%0.14116%0.164CC..EExtended strand (participates in β ladder)trans-83.863.4172-63.8-179.1000111.6A82 L85 T209 M210A82-L415 PolarHBondContact N-O 3.06Å; A82-L415 VanDerWaalsContact O-CB 3.25Å; A82-L415 WeakPolarHBondContact O-CB 3.46Å; A82-L415 VanDerWaalsContact O-O 3.1Å; L85-L415 HydrophobicContact CD1-CD2 4.13Å; L85-L415 HydrophobicContact CG-CD2 4.25Å; T209-L415 HydrophobicContact CG2-CD2 3.68Å; M210-L415 WeakPolarHBondContact O-CD1 3.4Å
416N87.9Confident93Very high17 Ų1734.1 Ų34.19%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-124153.8170.752.92.7000108.1E79 V80 V414E79-N416 HydrophobicContact CG-CB 4.15Å; E79-N416 PolarHBondContact OE1-ND2 3.46Å; V80-N416 VanDerWaalsContact O-CA 3.29Å; V80-N416 WeakPolarHBondContact O-CA 3.36Å; V414-N416 HydrophobicContact CG1-CB 4.49Å; V414-N416 PolarHBondContact O-N 3.24Å; V414-N416 PolarHBondContact O-OD1 3.4Å
417Y89.8Confident92.2Very high49 Ų4939.7 Ų39.719%0.19220%0.195CC..EExtended strand (participates in β ladder)trans-123.7141.5164.463.5-89.4000108.7V80 A82 L85 E277 R279 T419V80-Y417 HydrophobicContact CB-CD1 4.44Å; V80-Y417 HydrophobicContact CB-CD2 4.41Å; V80-Y417 HydrophobicContact CB-CE1 3.91Å; V80-Y417 HydrophobicContact CB-CE2 3.88Å; V80-Y417 HydrophobicContact CG1-CE1 3.92Å; V80-Y417 HydrophobicContact CG1-CE2 4.45Å; V80-Y417 WeakPolarHBondContact CG1-OH 3.18Å; V80-Y417 HydrophobicContact CG2-CE2 4.16Å; V80-Y417 PolarHBondContact N-O 3.03Å; V80-Y417 PolarHBondContact O-N 3.26Å; A82-Y417 HydrophobicContact CB-CD1 3.93Å; A82-Y417 HydrophobicContact CB-CE1 4.05Å; L85-Y417 HydrophobicContact CD2-CD1 4.02Å; E277-Y417 VanDerWaalsContact O-CA 3.3Å; E277-Y417 WeakPolarHBondContact O-CA 3.31Å; R279-Y417 HydrophobicContact CG-CD2 4.44Å; Y417-T419 WeakPolarHBondContact CD2-OG1 3.33Å; Y417-T419 VanDerWaalsContact CE2-OG1 3.28Å; Y417-T419 WeakPolarHBondContact CE2-OG1 3.49Å
418E93.4Very high91.3Very high34 Ų3444.2 Ų44.216%0.15922%0.218CC..EExtended strand (participates in β ladder)trans-88.6130.9174.3-170.8179.5-162.800108.2L77 D78 E277 Q278 R279 I420L77-E418 HydrophobicContact CD1-CG 4.01Å; L77-E418 WeakPolarHBondContact CD1-OE1 3.46Å; D78-E418 CarbonylContact O-C 3.4Å; D78-E418 WeakPolarHBondContact O-CA 3.4Å; E277-E418 PolarHBondContact O-N 3.21Å; Q278-E418 CarbonylContact C-O 3.51Å; Q278-E418 WeakPolarHBondContact CA-O 3.05Å; Q278-E418 HydrophobicContact CG-CB 4.28Å; Q278-E418 PolarHBondContact NE2-OE2 2.82Å; R279-E418 PolarHBondContact N-O 2.86Å; E418-I420 HydrophobicContact CG-CG1 4.17Å
419T94.8Very high90.3Very high18 Ų1847.2 Ų47.211%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-109.6120.4172.6-52.60000108.8D78 R279 I281 Y417 E421D78-T419 PolarHBondContact N-O 3.1Å; D78-T419 PolarHBondContact O-N 3.44Å; R279-T419 WeakPolarHBondContact O-CA 3.43Å; I281-T419 HydrophobicContact CD1-CG2 4.31Å; Y417-T419 WeakPolarHBondContact CD2-OG1 3.33Å; Y417-T419 VanDerWaalsContact CE2-OG1 3.28Å; Y417-T419 WeakPolarHBondContact CE2-OG1 3.49Å; T419-E421 HydrophobicContact CG2-CB 4.46Å
420I94.6Very high89Confident42 Ų4247.5 Ų47.522%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-111.997.1177.3-52.1179.9000107T75 L77 R279 L280 I281 E418T75-I420 HydrophobicContact CG2-CG2 3.6Å; L77-I420 HydrophobicContact CD1-CD1 4.32Å; L77-I420 HydrophobicContact CD1-CG1 3.75Å; R279-I420 PolarHBondContact O-N 3.23Å; L280-I420 WeakPolarHBondContact CA-O 3.38Å; L280-I420 HydrophobicContact CD2-CD1 4.43Å; L280-I420 HydrophobicContact CG-CB 4.37Å; L280-I420 HydrophobicContact CG-CD1 4.49Å; I281-I420 PolarHBondContact N-O 3.05Å; E418-I420 HydrophobicContact CG-CG1 4.17Å
421E95.2Very high87.7Confident51 Ų5148.2 Ų48.224%0.23825%0.25CC..EExtended strand (participates in β ladder)trans-112.6125.8-173.5-177.1-173.6-179.500111T75 K76 I281 T419 K423T75-E421 WeakPolarHBondContact CA-O 3.22Å; K76-E421 PolarHBondContact N-O 3.45Å; K76-E421 PolarHBondContact O-N 3.02Å; I281-E421 HydrophobicContact CB-CB 4.26Å; I281-E421 HydrophobicContact CB-CG 4.02Å; I281-E421 HydrophobicContact CD1-CG 4.43Å; I281-E421 HydrophobicContact CG2-CG 4.14Å; I281-E421 WeakPolarHBondContact O-CA 3.27Å; T419-E421 HydrophobicContact CG2-CB 4.46Å; E421-K423 HydrophobicContact CG-CG 4.2Å; E421-K423 VanDerWaalsContact OE1-CE 3.27Å; E421-K423 WeakPolarHBondContact OE1-CE 3.31Å; E421-K423 IonicContact OE1-NZ 2.86Å; E421-K423 WeakPolarHBondContact OE2-CE 3.47Å; E421-K423 IonicContact OE2-NZ 2.87Å; E421-K423 PolarHBondContact OE2-NZ 2.95Å
422Q94.2Very high86.2Confident33 Ų3350.8 Ų50.815%0.15426%0.264CS..EExtended strand (participates in β ladder)trans-78.5121.1167.6-69-173.4-27.800110.2H73 I281 Y282 L283H73-Q422 PolarHBondContact NE2-NE2 3.44Å; I281-Q422 PolarHBondContact O-N 2.83Å; Y282-Q422 HydrophobicContact CD1-CG 4.27Å; L283-Q422 HydrophobicContact CD1-CB 4.08Å; L283-Q422 HydrophobicContact CG-CB 3.88Å; L283-Q422 WeakPolarHBondContact CG-O 3.25Å; L283-Q422 VanDerWaalsContact N-OE1 3.12Å
423K92.4Very high84.2Confident80 Ų8052.6 Ų52.635%0.34828%0.284SS..EExtended strand (participates in β ladder)trans-111143175.4-64.3-157.8173.7-160.40111.1H73 V74 K76 E421 A425H73-K423 CarbonylContact C-O 3.49Å; H73-K423 WeakPolarHBondContact CA-O 3.3Å; H73-K423 WeakPolarHBondContact CB-O 3.11Å; V74-K423 HydrophobicContact CG2-CB 4.27Å; V74-K423 PolarHBondContact N-O 3.08Å; V74-K423 PolarHBondContact O-N 3.32Å; K76-K423 HydrophobicContact CB-CD 4.45Å; K76-K423 HydrophobicContact CB-CG 4.48Å; K76-K423 HydrophobicContact CD-CD 4.31Å; E421-K423 HydrophobicContact CG-CG 4.2Å; E421-K423 VanDerWaalsContact OE1-CE 3.27Å; E421-K423 WeakPolarHBondContact OE1-CE 3.31Å; E421-K423 IonicContact OE1-NZ 2.86Å; E421-K423 WeakPolarHBondContact OE2-CE 3.47Å; E421-K423 IonicContact OE2-NZ 2.87Å; E421-K423 PolarHBondContact OE2-NZ 2.95Å; K423-A425 PolarHBondContact O-N 3.35Å
424K91.2Very high82.3Confident77 Ų7750.2 Ų50.234%0.33527%0.273SS..EExtended strand (participates in β ladder)trans-60.6121.7172.8-60.2178.1-175-175.20107.7L283 W287 Y426 E427L283-K424 HydrophobicContact CD1-CG 3.9Å; L283-K424 HydrophobicContact CD2-CG 4.39Å; W287-K424 HydrophobicContact CD2-CD 4.1Å; W287-K424 HydrophobicContact CD2-CG 4.27Å; W287-K424 HydrophobicContact CG-CG 4.19Å; W287-K424 HydrophobicContact CH2-CD 4.48Å; W287-K424 VanDerWaalsContact CH2-NZ 3.33Å; W287-K424 HydrophobicContact CZ2-CD 3.92Å; K424-Y426 PolarHBondContact O-N 3.24Å; K424-E427 HydrophobicContact CB-CG 4.21Å
425A85.8Confident80.5Confident36 Ų3648.7 Ų48.730%0.29826%0.262SS..SBendtrans-68.7-29.2179.900000110.7H72 V74 K423H72-A425 HydrophobicContact CB-CB 4Å; H72-A425 VanDerWaalsContact O-CB 3.24Å; H72-A425 WeakPolarHBondContact O-CB 3.47Å; H72-A425 PolarHBondContact O-N 3.07Å; V74-A425 HydrophobicContact CG1-CB 3.97Å; K423-A425 PolarHBondContact O-N 3.35Å
426Y80.9Confident78.5Confident31 Ų3154.6 Ų54.612%0.12229%0.293CS..SBendtrans-142.1126.6-178.2-152.8-99.3000110.6Y68 K424 G430 L431 D480Y68-Y426 AromaticContact CD2-CD1 3.94Å; Y68-Y426 HydrophobicContact CD2-CD1 3.94Å; K424-Y426 PolarHBondContact O-N 3.24Å; Y426-G430 PolarHBondContact OH-O 3.35Å; Y426-G430 VanDerWaalsContact OH-O 3.06Å; Y426-L431 HydrophobicContact CE1-CB 3.7Å; Y426-L431 HydrophobicContact CE1-CD1 3.82Å; Y426-L431 HydrophobicContact CE1-CG 4.36Å; Y426-D480 VanDerWaalsContact CE2-OD2 3.29Å; Y426-D480 WeakPolarHBondContact CE2-OD2 3.39Å; Y426-D480 WeakPolarHBondContact OH-CB 3.29Å; Y426-D480 PolarHBondContact OH-OD2 2.94Å
427E81.1Confident76.3Confident117 Ų11760.8 Ų60.855%0.54732%0.323SS..  trans-107.4161.9178.1-65.6-172.5167.200111K424 A429 G430 L431K424-E427 HydrophobicContact CB-CG 4.21Å; E427-A429 PolarHBondContact O-N 3.17Å; E427-G430 WeakPolarHBondContact O-CA 3.49Å; E427-G430 PolarHBondContact O-N 3.43Å; E427-L431 PolarHBondContact O-N 3.13Å; E427-L431 VanDerWaalsContact O-N 3.12Å
428I80.2Confident73.8Confident98 Ų9861 Ų6150%0.50334%0.335SS..Hα-helixtrans-55.7-35.6175.3-63.4170.7000111.1Y68 G430 L431 L432Y68-I428 HydrophobicContact CE2-CG1 3.97Å; Y68-I428 WeakPolarHBondContact OH-CD1 3.33Å; Y68-I428 WeakPolarHBondContact OH-CG1 3.37Å; I428-G430 VanDerWaalsContact C-N 3.3Å; I428-G430 PolarHBondContact O-N 3.25Å; I428-L431 WeakPolarHBondContact O-CB 3.29Å; I428-L431 PolarHBondContact O-N 3.44Å; I428-L431 VanDerWaalsContact O-N 3.12Å; I428-L432 HydrophobicContact CG2-CD1 3.76Å; I428-L432 HydrophobicContact CG2-CG 4.33Å; I428-L432 PolarHBondContact O-N 3.03Å
429A75.8Confident71Confident64 Ų6465.4 Ų65.453%0.52937%0.366SS..Hα-helixtrans-61.1-38.7175.500000112.1E427 L431 G433E427-A429 PolarHBondContact O-N 3.17Å; A429-L431 VanDerWaalsContact C-N 3.34Å; A429-G433 VanDerWaalsContact O-CA 3.23Å; A429-G433 WeakPolarHBondContact O-CA 3.38Å; A429-G433 PolarHBondContact O-N 2.93Å
430G70.8Confident68Low8 Ų869.2 Ų69.28%0.08239%0.389CS..Hα-helixtrans-68-32.7173.400000113Y426 E427 I428 G479 D480Y426-G430 PolarHBondContact OH-O 3.35Å; Y426-G430 VanDerWaalsContact OH-O 3.06Å; E427-G430 WeakPolarHBondContact O-CA 3.49Å; E427-G430 PolarHBondContact O-N 3.43Å; I428-G430 VanDerWaalsContact C-N 3.3Å; I428-G430 PolarHBondContact O-N 3.25Å; G430-G479 WeakPolarHBondContact O-CA 3.28Å; G430-D480 PolarHBondContact O-N 3.01Å
431L71.5Confident65.1Low17 Ų1772.9 Ų72.99%0.08942%0.416CS..Hα-helixtrans-70.9-44.7176.9-167.867000112.6Y68 Y426 E427 I428 A429 I481Y68-L431 HydrophobicContact CD1-CD2 4.06Å; Y68-L431 HydrophobicContact CD2-CD2 4.5Å; Y68-L431 HydrophobicContact CE1-CD2 4.5Å; Y68-L431 HydrophobicContact CG-CD2 4.06Å; Y426-L431 HydrophobicContact CE1-CB 3.7Å; Y426-L431 HydrophobicContact CE1-CD1 3.82Å; Y426-L431 HydrophobicContact CE1-CG 4.36Å; E427-L431 PolarHBondContact O-N 3.13Å; E427-L431 VanDerWaalsContact O-N 3.12Å; I428-L431 WeakPolarHBondContact O-CB 3.29Å; I428-L431 PolarHBondContact O-N 3.44Å; I428-L431 VanDerWaalsContact O-N 3.12Å; A429-L431 VanDerWaalsContact C-N 3.34Å; L431-I481 HydrophobicContact CD1-CD1 3.55Å; L431-I481 HydrophobicContact CD1-CG1 4.1Å; L431-I481 HydrophobicContact CG-CD1 3.85Å; L431-I481 PolarHBondContact O-N 3.39Å
432L66.1Low61.9Low76 Ų7679.1 Ų79.140%0.39844%0.443SS..Hα-helixtrans-112.9-0.7-164.8-64.4179.5000115.1I428 E434 L435I428-L432 HydrophobicContact CG2-CD1 3.76Å; I428-L432 HydrophobicContact CG2-CG 4.33Å; I428-L432 PolarHBondContact O-N 3.03Å; L432-E434 PolarHBondContact O-N 2.69Å; L432-L435 PolarHBondContact O-N 3Å
433G55.3Low59Low42 Ų4282.9 Ų82.943%0.43347%0.47SS..THydrogen-bonded Turntrans-53.2-2.2-167.800000119.1A429 G479A429-G433 VanDerWaalsContact O-CA 3.23Å; A429-G433 WeakPolarHBondContact O-CA 3.38Å; A429-G433 PolarHBondContact O-N 2.93Å; G433-G479 VanDerWaalsContact N-CA 3.29Å
434E51.3Low55.9Low64 Ų6485.5 Ų85.530%0.29950%0.497SS..THydrogen-bonded Turntrans-131.73174.4-77.2-170.2171.700114.7L432 L436 L478 G483L432-E434 PolarHBondContact O-N 2.69Å; E434-L436 PolarHBondContact O-N 3.47Å; E434-L436 VanDerWaalsContact O-N 3.14Å; E434-L478 WeakPolarHBondContact OE1-CD2 3.47Å; E434-G483 WeakPolarHBondContact OE2-CA 3.3Å; E434-G483 PolarHBondContact OE2-N 3.26Å; E434-G483 VanDerWaalsContact OE2-N 3.08Å
435L52.5Low53Low42 Ų4290.2 Ų90.222%0.2252%0.52CS..THydrogen-bonded Turntrans-65.3-21.8-178-138.990.1000112.7L432 I481 M485 I493L432-L435 PolarHBondContact O-N 3Å; L435-I481 HydrophobicContact CD1-CG2 4.27Å; L435-M485 HydrophobicContact CD1-SD 4.04Å; L435-I493 HydrophobicContact CD2-CB 4.24Å; L435-I493 HydrophobicContact CD2-CD1 3.64Å; L435-I493 HydrophobicContact CD2-CG1 3.99Å; L435-I493 HydrophobicContact CG-CB 4.14Å; L435-I493 HydrophobicContact CG-CD1 4.43Å; L435-I493 HydrophobicContact CG-CG1 4.44Å; L435-I493 VanDerWaalsContact O-CB 3.27Å; L435-I493 WeakPolarHBondContact O-CB 3.38Å; L435-I493 WeakPolarHBondContact O-CG2 3.47Å
436L45Very low50.6Low150 Ų15092.2 Ų92.279%0.78554%0.544SS*.THydrogen-bonded Turntrans-112.3-3.7-170.4-70.5169.5000115.4E434E434-L436 PolarHBondContact O-N 3.47Å; E434-L436 VanDerWaalsContact O-N 3.14Å
437M41.4Very low48.2Very low147 Ų14799.5 Ų99.572%0.72458%0.579SS**  trans-100.1110.9-176.6-66.1-66.8-10600110.4
438A35.9Very low45.7Very low53 Ų5397.4 Ų97.444%0.43859%0.589SS.*  trans-55.6149.3163.500000109.8V440A438-V440 PolarHBondContact O-N 2.88Å
439P36.2Very low43.3Very low127 Ų127102.3 Ų102.383%0.82561%0.612SS**  trans-65.399.817926.8-32.3000109.2
440V31.8Very low41Very low98 Ų98103.6 Ų103.659%0.59462%0.622SS**  trans-88.6119.2170.1-168.80000107.5A438 F442A438-V440 PolarHBondContact O-N 2.88Å; V440-F442 HydrophobicContact CB-CE2 4.49Å; V440-F442 HydrophobicContact CG1-CD2 4.13Å; V440-F442 HydrophobicContact CG1-CE2 3.88Å; V440-F442 PolarHBondContact O-N 3.48Å
441P33.3Very low39.1Very low120 Ų120109.3 Ų109.378%0.77966%0.658SS**  trans-76.7105.7177.529.7-29.2000108.8
442F28Very low36.9Very low181 Ų181119.6 Ų119.679%0.79470%0.697SS**  trans-95.9123.9163.6-87-79.1000109.9V440 C444V440-F442 HydrophobicContact CB-CE2 4.49Å; V440-F442 HydrophobicContact CG1-CD2 4.13Å; V440-F442 HydrophobicContact CG1-CE2 3.88Å; V440-F442 PolarHBondContact O-N 3.48Å; F442-C444 PolarHBondContact O-N 3.09Å
443P31.8Very low35.1Very low112 Ų112124.7 Ų124.773%0.72772%0.719SS**  trans-79.2119.2176.630.4-30.3000109.9H445P443-H445 PolarHBondContact O-N 2.94Å; P443-H445 VanDerWaalsContact O-N 3.08Å
444C28.9Very low34.1Very low136 Ų136127.9 Ų127.992%0.91973%0.732SS**  trans-69.699.5164.4-69.10000109.1F442 G446F442-C444 PolarHBondContact O-N 3.09Å; C444-G446 PolarHBondContact O-N 2.97Å
445H29.6Very low32.9Very low175 Ų175135 Ų13581%0.8176%0.762SS**  trans-79.7109162.3-103.3-2.9000109.4P443 H447P443-H445 PolarHBondContact O-N 2.94Å; P443-H445 VanDerWaalsContact O-N 3.08Å; H445-H447 PolarHBondContact O-N 3.34Å
446G34.7Very low31.7Very low78 Ų78138.2 Ų138.280%0.80479%0.794SS**PPolyproline II helixtrans-70.1117.4167.800000110.2C444C444-G446 PolarHBondContact O-N 2.97Å
447H30.4Very low30.8Very low185 Ų185134.5 Ų134.586%0.85679%0.793SS**PPolyproline II helixtrans-86.8119.6164.4-101-80.2000109.5H445H445-H447 PolarHBondContact O-N 3.34Å
448G29Very low30Very low73 Ų73133.7 Ų133.775%0.75380%0.8SS**PPolyproline II helixtrans-65.6150.1-179.900000113.9
449M29.7Very low29.5Very low201 Ų201137 Ų13799%0.9982%0.82SS**PPolyproline II helixtrans-62.5134.4168.1-69.4177.2170.200111
450A27.8Very low29.3Very low90 Ų90138.9 Ų138.974%0.74482%0.822SS**  trans-115.7136.216000000109.1
451P30.9Very low29Very low129 Ų129142.3 Ų142.384%0.83884%0.836SS**  trans-88.9136.9-175.234-30.5000111.3
452Y24.6Very low28.8Very low232 Ų232141.4 Ų141.491%0.9183%0.833SS**  trans-110.3127.8169.4-108.8-92.7000110.7
453H28.1Very low28.8Very low184 Ų184141.9 Ų141.985%0.85284%0.837SS**  trans-68.1154.7171.6-98.6-81.8000112.3
454P35Very low28.6Very low109 Ų109146.2 Ų146.271%0.70885%0.848SS**  trans-101.7135.5179.235.8-27.2000112.4
455K25.5Very low28.7Very low213 Ų213142.5 Ų142.593%0.92683%0.832SS**  trans-156.1137.8153.1-86.7-162.2180172.20113.2
456A28.3Very low29Very low109 Ų109140 Ų14090%0.90183%0.831SS**  trans69.8139.9165.700000116.6
457G25.8Very low29Very low73 Ų73141.5 Ų141.575%0.75383%0.827SS**  cis134.510611.100000110
458C25Very low29.1Very low130 Ų130138.4 Ų138.488%0.87882%0.823SS**  trans52.3124.5162.9-86.70000121.8
459S25.3Very low29.3Very low123 Ų123144 Ų14486%0.8683%0.83SS**  168.2151.7104.938.70000113.3
460L30.9Very low29.3Very low166 Ų166144.9 Ų144.987%0.86982%0.822SS**  trans-68.5144.1-174.2-72.4111000114.9
461L26.6Very low29.4Very low169 Ų169146.5 Ų146.589%0.88583%0.825SS**  176.6135.6125.2-100.2147.6000113.5
462S28.3Very low29.3Very low101 Ų101149.3 Ų149.371%0.70682%0.824SS**  trans-9.4124.5163.5-47.10000120.9
463H27.9Very low29.6Very low192 Ų192143.7 Ų143.789%0.88982%0.816SS**  177.3100123.4-114.2-76.7000109.1G465H463-G465 PolarHBondContact O-N 2.97Å
464E28.5Very low29.7Very low203 Ų203143.9 Ų143.995%0.94981%0.814SS**  trans-85.5102.2166.3-76.7-166.1134.700109
465G31.9Very low29.5Very low57 Ų57143.6 Ų143.659%0.58881%0.813SS**PPolyproline II helixtrans-100.7146.1153.700000108.5H463H463-G465 PolarHBondContact O-N 2.97Å
466P35.8Very low29.9Very low123 Ų123138.7 Ų138.780%0.79980%0.804SS**PPolyproline II helixtrans-65.1142.8178.327.5-31.7000109.7
467P33.7Very low30.3Very low109 Ų109137.3 Ų137.371%0.70879%0.787SS**PPolyproline II helixtrans-65.1147.8178.627.7-32.8000110Q469P467-Q469 PolarHBondContact O-N 2.95Å; P467-Q469 VanDerWaalsContact O-N 3.16Å
468P32.8Very low31.4Very low120 Ų120138.9 Ų138.978%0.77978%0.777SS**PPolyproline II helixtrans-59.7124.9170.925.1-30.4000108R470P468-R470 PolarHBondContact O-N 2.72Å
469Q33.6Very low33.2Very low192 Ų192132.7 Ų132.790%0.89774%0.735SS**  trans-53.9110.3172.6-70.9-179.6-0.500107.6P467P467-Q469 PolarHBondContact O-N 2.95Å; P467-Q469 VanDerWaalsContact O-N 3.16Å
470R28.8Very low35.4Very low219 Ų219129.3 Ų129.383%0.82671%0.708SS**PPolyproline II helixtrans-57.4134166-65.1-179-169.71803.3106.1P468 F472P468-R470 PolarHBondContact O-N 2.72Å; R470-F472 PolarHBondContact O-N 2.99Å
471P31Very low37.8Very low124 Ų124122.3 Ų122.381%0.80567%0.671SS**PPolyproline II helixtrans-56120.2166.924.6-30.8000106.2
472F28.4Very low40.2Very low188 Ų188114.7 Ų114.783%0.82563%0.633SS**PPolyproline II helixtrans-46.5138.2168-84.2-90.2000107.6R470 K474R470-F472 PolarHBondContact O-N 2.99Å; F472-K474 PolarHBondContact O-N 3.32Å
473P30.7Very low42.7Very low114 Ų114111.1 Ų111.174%0.7461%0.612SS**  trans-56.7115.5174.924.8-29.7000105.4P475P473-P475 WeakPolarHBondContact O-CD 3.46Å
474K30.8Very low45.3Very low187 Ų187104.8 Ų104.881%0.81358%0.583SS**  trans-45.6123.3161.9-70.6178.3177.7177.70104.1F472 C476F472-K474 PolarHBondContact O-N 3.32Å; K474-C476 PolarHBondContact O-N 2.92Å
475P30.3Very low47.9Very low104 Ų10496.5 Ų96.568%0.67555%0.545SS*.  trans-53.3120.9165.620.1-24.2000103.9P473 C477P473-P475 WeakPolarHBondContact O-CD 3.46Å; P475-C477 PolarHBondContact O-N 2.8Å
476C34.6Very low50.3Low110 Ų11095.4 Ų95.474%0.74353%0.533SS*.  trans-59.586.9161.5-82.50000104.2K474 L478K474-C476 PolarHBondContact O-N 2.92Å; C476-L478 HydrophobicContact CB-CD1 4.23Å; C476-L478 HydrophobicContact CB-CG 4.08Å; C476-L478 PolarHBondContact O-N 3.44Å
477C36.7Very low52.6Low79 Ų7995.7 Ų95.753%0.53453%0.527SS..  trans-67.972.8160.6-67.40000104.9P475 G479P475-C477 PolarHBondContact O-N 2.8Å; C477-G479 PolarHBondContact O-N 2.86Å
478L48Very low54.9Low106 Ų10693.5 Ų93.556%0.55551%0.507SS*.  trans-50.9120.6159.6-66.1145.5000104.2E434 C476 D480E434-L478 WeakPolarHBondContact OE1-CD2 3.47Å; C476-L478 HydrophobicContact CB-CD1 4.23Å; C476-L478 HydrophobicContact CB-CG 4.08Å; C476-L478 PolarHBondContact O-N 3.44Å; L478-D480 PolarHBondContact O-N 3.41Å; L478-D480 VanDerWaalsContact O-N 3.08Å
479G62.3Low57.3Low0 Ų088.2 Ų88.20%047%0.472CS..  trans-52.1119.2-166.200000111.4G430 G433 C477 I481 G482 G483G430-G479 WeakPolarHBondContact O-CA 3.28Å; G433-G479 VanDerWaalsContact N-CA 3.29Å; C477-G479 PolarHBondContact O-N 2.86Å; G479-I481 PolarHBondContact O-N 3.49Å; G479-I481 VanDerWaalsContact O-N 3.16Å; G479-G482 PolarHBondContact O-N 3.34Å; G479-G483 PolarHBondContact O-N 3.32Å
480D72.7Confident59.5Low52 Ų5279.8 Ų79.828%0.27844%0.437SS..Hα-helixtrans-58.1-40.3-168.5-73.9-29.8000111.1R64 Y426 G430 L478 Q484R64-D480 HydrophobicContact CG-CB 4.4Å; Y426-D480 VanDerWaalsContact CE2-OD2 3.29Å; Y426-D480 WeakPolarHBondContact CE2-OD2 3.39Å; Y426-D480 WeakPolarHBondContact OH-CB 3.29Å; Y426-D480 PolarHBondContact OH-OD2 2.94Å; G430-D480 PolarHBondContact O-N 3.01Å; L478-D480 PolarHBondContact O-N 3.41Å; L478-D480 VanDerWaalsContact O-N 3.08Å; D480-Q484 VanDerWaalsContact O-CB 3.31Å; D480-Q484 WeakPolarHBondContact O-CB 3.32Å; D480-Q484 WeakPolarHBondContact O-CG 3.45Å; D480-Q484 PolarHBondContact O-N 3.41Å
481I79.7Confident61.9Low20 Ų2070 Ų7010%0.10340%0.403CS..Hα-helixtrans-68.1-46.7178.4-64-179.4000111.1V65 L431 L435 G479 Q484 M485V65-I481 HydrophobicContact CG2-CD1 3.78Å; L431-I481 HydrophobicContact CD1-CD1 3.55Å; L431-I481 HydrophobicContact CD1-CG1 4.1Å; L431-I481 HydrophobicContact CG-CD1 3.85Å; L431-I481 PolarHBondContact O-N 3.39Å; L435-I481 HydrophobicContact CD1-CG2 4.27Å; G479-I481 PolarHBondContact O-N 3.49Å; G479-I481 VanDerWaalsContact O-N 3.16Å; I481-Q484 PolarHBondContact O-N 3.43Å; I481-M485 HydrophobicContact CG2-CG 4.23Å; I481-M485 HydrophobicContact CG2-SD 3.72Å; I481-M485 WeakPolarHBondContact O-CB 3.29Å; I481-M485 WeakPolarHBondContact O-CG 3.49Å; I481-M485 PolarHBondContact O-N 2.94Å
482G77.4Confident64.3Low8 Ų865.7 Ų65.78%0.08238%0.375CS..Hα-helixtrans-65.4-40.6-178.700000112.4G479 M485 G486G479-G482 PolarHBondContact O-N 3.34Å; G482-M485 PolarHBondContact O-N 2.82Å; G482-G486 PolarHBondContact O-N 2.91Å
483G80.9Confident66.6Low26 Ų2659.4 Ų59.427%0.26835%0.35SS..Hα-helixtrans-66.3-41.4176.400000112.5E434 G479 G486 L487E434-G483 WeakPolarHBondContact OE2-CA 3.3Å; E434-G483 PolarHBondContact OE2-N 3.26Å; E434-G483 VanDerWaalsContact OE2-N 3.08Å; G479-G483 PolarHBondContact O-N 3.32Å; G483-G486 PolarHBondContact O-N 2.96Å; G483-L487 VanDerWaalsContact O-CB 3.22Å; G483-L487 WeakPolarHBondContact O-CB 3.38Å; G483-L487 PolarHBondContact O-N 3.33Å
484Q83.2Confident69Low59 Ų5958.5 Ų58.528%0.27634%0.338SS..Hα-helixtrans-68.6-39.7175.4-62.9-67.7-19.700111.4L57 V60 D480 I481 L487 F488L57-Q484 VanDerWaalsContact CD1-C 3.44Å; L57-Q484 HydrophobicContact CD1-CB 3.73Å; L57-Q484 WeakPolarHBondContact CD1-O 3.19Å; V60-Q484 HydrophobicContact CG1-CG 4.17Å; D480-Q484 VanDerWaalsContact O-CB 3.31Å; D480-Q484 WeakPolarHBondContact O-CB 3.32Å; D480-Q484 WeakPolarHBondContact O-CG 3.45Å; D480-Q484 PolarHBondContact O-N 3.41Å; I481-Q484 PolarHBondContact O-N 3.43Å; Q484-L487 PolarHBondContact O-N 2.99Å; Q484-F488 HydrophobicContact CB-CD2 4.34Å; Q484-F488 WeakPolarHBondContact O-CB 3.19Å; Q484-F488 WeakPolarHBondContact O-CD2 3.32Å; Q484-F488 PolarHBondContact O-N 2.92Å
485M83Confident71.4Confident30 Ų3049.7 Ų49.715%0.14830%0.3CS..Hα-helixtrans-61.5-43.3174.7-75.4177.365.900112.1L57 L435 I481 G482 I489 G490 A491 V496L57-M485 HydrophobicContact CD1-CG 4.18Å; L57-M485 HydrophobicContact CD2-CG 4.16Å; L435-M485 HydrophobicContact CD1-SD 4.04Å; I481-M485 HydrophobicContact CG2-CG 4.23Å; I481-M485 HydrophobicContact CG2-SD 3.72Å; I481-M485 WeakPolarHBondContact O-CB 3.29Å; I481-M485 WeakPolarHBondContact O-CG 3.49Å; I481-M485 PolarHBondContact O-N 2.94Å; G482-M485 PolarHBondContact O-N 2.82Å; M485-I489 PolarHBondContact O-N 3.24Å; M485-G490 PolarHBondContact O-N 3.07Å; M485-A491 CarbonylContact C-O 3.58Å; M485-A491 HydrophobicContact CE-CB 4.38Å; M485-A491 PolarHBondContact O-N 2.8Å; M485-V496 HydrophobicContact CE-CG2 4.22Å
486G82.7Confident73.8Confident33 Ų3347.2 Ų47.234%0.3428%0.283SS..Hα-helixtrans-64.8-43.6174.700000112.6G482 G483 G490G482-G486 PolarHBondContact O-N 2.91Å; G483-G486 PolarHBondContact O-N 2.96Å; G486-G490 VanDerWaalsContact O-CA 3.25Å; G486-G490 WeakPolarHBondContact O-CA 3.17Å; G486-G490 PolarHBondContact O-N 3.49Å
487L82.9Confident76.2Confident129 Ų12946.8 Ų46.868%0.67527%0.273SS*.Hα-helixtrans-67.4-47.9-178.7-178.464.8000113.1G483 Q484G483-L487 VanDerWaalsContact O-CB 3.22Å; G483-L487 WeakPolarHBondContact O-CB 3.38Å; G483-L487 PolarHBondContact O-N 3.33Å; Q484-L487 PolarHBondContact O-N 2.99Å
488F82.8Confident78.4Confident63 Ų6346.5 Ų46.528%0.27626%0.264SS..Hα-helixtrans-82.3-35.6-171.7-79.1-68.6000114V56 L57 Q484V56-F488 HydrophobicContact CB-CE1 4.47Å; V56-F488 HydrophobicContact CG1-CE1 3.92Å; V56-F488 HydrophobicContact CG1-CE2 4.22Å; V56-F488 HydrophobicContact CG1-CZ 3.6Å; L57-F488 HydrophobicContact CB-CB 4.23Å; L57-F488 HydrophobicContact CB-CD2 4.17Å; L57-F488 HydrophobicContact CB-CG 4.35Å; L57-F488 HydrophobicContact CD1-CB 4.48Å; L57-F488 HydrophobicContact CD1-CD2 3.96Å; Q484-F488 HydrophobicContact CB-CD2 4.34Å; Q484-F488 WeakPolarHBondContact O-CB 3.19Å; Q484-F488 WeakPolarHBondContact O-CD2 3.32Å; Q484-F488 PolarHBondContact O-N 2.92Å
489I83.1Confident80.1Confident9 Ų944.8 Ų44.85%0.04625%0.254CS..Hα-helixtrans-129.4-12.6-170.4-45.9-173.9000112.1L27 H28 F50 L54 L57 M485 A491L27-I489 HydrophobicContact CD2-CB 4.44Å; L27-I489 HydrophobicContact CD2-CG2 3.41Å; L27-I489 VanDerWaalsContact CD2-CG2 3.41Å; H28-I489 PolarHBondContact N-O 3.39Å; H28-I489 VanDerWaalsContact N-O 3.08Å; F50-I489 HydrophobicContact CE2-CG2 3.58Å; F50-I489 HydrophobicContact CZ-CG2 4.06Å; L54-I489 HydrophobicContact CB-CD1 4.06Å; L54-I489 HydrophobicContact CD1-CD1 3.51Å; L54-I489 HydrophobicContact CG-CD1 4.39Å; L57-I489 HydrophobicContact CD2-CD1 3.41Å; L57-I489 VanDerWaalsContact CD2-CD1 3.41Å; L57-I489 HydrophobicContact CD2-CG1 3.86Å; M485-I489 PolarHBondContact O-N 3.24Å; I489-A491 VanDerWaalsContact C-N 3.26Å; I489-A491 HydrophobicContact CB-CB 4.31Å
490G80.1Confident81.2Confident16 Ų1651.5 Ų51.517%0.16528%0.284CS..  trans68.330.6-172.100000111.8M485 G486M485-G490 PolarHBondContact O-N 3.07Å; G486-G490 VanDerWaalsContact O-CA 3.25Å; G486-G490 WeakPolarHBondContact O-CA 3.17Å; G486-G490 PolarHBondContact O-N 3.49Å
491A79.3Confident81.8Confident13 Ų1353.8 Ų53.811%0.10730%0.296CS..  trans-100.6141.8-175.500000111.2L27 M485 I489 T495L27-A491 HydrophobicContact CD2-CB 3.7Å; M485-A491 CarbonylContact C-O 3.58Å; M485-A491 HydrophobicContact CE-CB 4.38Å; M485-A491 PolarHBondContact O-N 2.8Å; I489-A491 VanDerWaalsContact C-N 3.26Å; I489-A491 HydrophobicContact CB-CB 4.31Å; A491-T495 HydrophobicContact CB-CG2 4.21Å
492S80.9Confident81.9Confident33 Ų3355.1 Ų55.123%0.23130%0.301CS..  trans-120.4178.1167.566.80000110L494 T495 V496S492-L494 PolarHBondContact O-N 3.06Å; S492-L494 PolarHBondContact OG-N 3.26Å; S492-T495 PolarHBondContact N-OG1 3.15Å; S492-T495 VanDerWaalsContact O-CB 3.31Å; S492-T495 WeakPolarHBondContact O-CB 3.3Å; S492-T495 PolarHBondContact O-N 3.34Å; S492-T495 VanDerWaalsContact O-N 3.13Å; S492-T495 PolarHBondContact OG-N 3.26Å; S492-T495 PolarHBondContact OG-OG1 3.3Å; S492-V496 PolarHBondContact O-N 2.91Å
493I77.4Confident82.2Confident57 Ų5756.6 Ų56.629%0.29231%0.312SS..Hα-helixtrans-58.2-33.9172.4-154.3-179.9000111.8L435 T495 V496 L497L435-I493 HydrophobicContact CD2-CB 4.24Å; L435-I493 HydrophobicContact CD2-CD1 3.64Å; L435-I493 HydrophobicContact CD2-CG1 3.99Å; L435-I493 HydrophobicContact CG-CB 4.14Å; L435-I493 HydrophobicContact CG-CD1 4.43Å; L435-I493 HydrophobicContact CG-CG1 4.44Å; L435-I493 VanDerWaalsContact O-CB 3.27Å; L435-I493 WeakPolarHBondContact O-CB 3.38Å; L435-I493 WeakPolarHBondContact O-CG2 3.47Å; I493-T495 VanDerWaalsContact C-N 3.33Å; I493-T495 PolarHBondContact O-N 2.88Å; I493-V496 WeakPolarHBondContact O-CB 3.43Å; I493-V496 PolarHBondContact O-N 3.3Å; I493-L497 WeakPolarHBondContact O-CG 3.45Å; I493-L497 PolarHBondContact O-N 3.46Å
494L80.3Confident82.5Confident94 Ų9462 Ų6249%0.49233%0.325SS..Hα-helixtrans-65.1-40.2178.2-61.9175.9000110.7S492 V496 L497 E498S492-L494 PolarHBondContact O-N 3.06Å; S492-L494 PolarHBondContact OG-N 3.26Å; L494-V496 VanDerWaalsContact C-N 3.28Å; L494-V496 PolarHBondContact O-N 3.48Å; L494-L497 HydrophobicContact CD2-CD1 4.47Å; L494-L497 WeakPolarHBondContact O-CB 3.38Å; L494-L497 PolarHBondContact O-N 2.85Å; L494-L497 VanDerWaalsContact O-N 3.15Å; L494-E498 WeakPolarHBondContact O-CG 3.35Å; L494-E498 PolarHBondContact O-N 3.34Å
495T81Confident82.5Confident2 Ų262.2 Ų62.21%0.01233%0.326CS..Hα-helixtrans-61.5-37.4175-46.90000112.2T26 L27 A491 S492 I493 L499T26-T495 WeakPolarHBondContact OG1-CG2 3.48Å; T26-T495 PolarHBondContact OG1-OG1 3.06Å; L27-T495 HydrophobicContact CD1-CG2 3.84Å; L27-T495 HydrophobicContact CD2-CG2 3.5Å; L27-T495 HydrophobicContact CG-CG2 3.38Å; A491-T495 HydrophobicContact CB-CG2 4.21Å; S492-T495 PolarHBondContact N-OG1 3.15Å; S492-T495 VanDerWaalsContact O-CB 3.31Å; S492-T495 WeakPolarHBondContact O-CB 3.3Å; S492-T495 PolarHBondContact O-N 3.34Å; S492-T495 VanDerWaalsContact O-N 3.13Å; S492-T495 PolarHBondContact OG-N 3.26Å; S492-T495 PolarHBondContact OG-OG1 3.3Å; I493-T495 VanDerWaalsContact C-N 3.33Å; I493-T495 PolarHBondContact O-N 2.88Å; T495-L499 WeakPolarHBondContact O-CG 3.45Å; T495-L499 PolarHBondContact O-N 2.89Å; T495-L499 VanDerWaalsContact O-N 3.16Å
496V81.6Confident82.5Confident53 Ų5362.4 Ų62.432%0.32133%0.329SS..Hα-helixtrans-68.6-41.3175.1176.10000110.7M485 S492 I493 L494 L499 F500M485-V496 HydrophobicContact CE-CG2 4.22Å; S492-V496 PolarHBondContact O-N 2.91Å; I493-V496 WeakPolarHBondContact O-CB 3.43Å; I493-V496 PolarHBondContact O-N 3.3Å; L494-V496 VanDerWaalsContact C-N 3.28Å; L494-V496 PolarHBondContact O-N 3.48Å; V496-L499 WeakPolarHBondContact O-CB 3.46Å; V496-L499 PolarHBondContact O-N 3.41Å; V496-F500 HydrophobicContact CG1-CD2 3.81Å; V496-F500 HydrophobicContact CG1-CE2 3.53Å; V496-F500 WeakPolarHBondContact O-CD2 3.29Å; V496-F500 PolarHBondContact O-N 3.45Å; V496-F500 VanDerWaalsContact O-N 3.08Å
497L83.5Confident82.6Confident100 Ų10065.4 Ų65.452%0.52434%0.336SS..Hα-helixtrans-63.7-39.6175.2-67.9172.4000112.2I493 L494 L499 F500 D501I493-L497 WeakPolarHBondContact O-CG 3.45Å; I493-L497 PolarHBondContact O-N 3.46Å; L494-L497 HydrophobicContact CD2-CD1 4.47Å; L494-L497 WeakPolarHBondContact O-CB 3.38Å; L494-L497 PolarHBondContact O-N 2.85Å; L494-L497 VanDerWaalsContact O-N 3.15Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-L499 PolarHBondContact O-N 3.3Å; L497-F500 PolarHBondContact O-N 2.87Å; L497-D501 PolarHBondContact O-N 2.92Å
498E84.3Confident82.5Confident74 Ų7463.6 Ų63.635%0.34632%0.322SS..Hα-helixtrans-60.2-40.8173.5-74.9174.7-173.100112.3L494 F500 D501 Y502L494-E498 WeakPolarHBondContact O-CG 3.35Å; L494-E498 PolarHBondContact O-N 3.34Å; E498-F500 VanDerWaalsContact C-N 3.34Å; E498-D501 PolarHBondContact O-N 3.28Å; E498-Y502 WeakPolarHBondContact O-CB 3.41Å; E498-Y502 PolarHBondContact O-N 2.82Å
499L83.4Confident82.3Confident69 Ų6963.5 Ų63.536%0.36132%0.323SS..Hα-helixtrans-63.3-40.7174.2-73.3172.4000111.8F21 L27 T495 V496 L497 A503F21-L499 HydrophobicContact CE1-CD2 3.88Å; F21-L499 HydrophobicContact CZ-CD2 4.08Å; L27-L499 HydrophobicContact CD1-CD1 3.85Å; L27-L499 HydrophobicContact CD1-CD2 3.96Å; L27-L499 HydrophobicContact CD1-CG 4.08Å; T495-L499 WeakPolarHBondContact O-CG 3.45Å; T495-L499 PolarHBondContact O-N 2.89Å; T495-L499 VanDerWaalsContact O-N 3.16Å; V496-L499 WeakPolarHBondContact O-CB 3.46Å; V496-L499 PolarHBondContact O-N 3.41Å; L497-L499 VanDerWaalsContact C-N 3.34Å; L497-L499 PolarHBondContact O-N 3.3Å; L499-A503 VanDerWaalsContact O-CB 3.28Å; L499-A503 WeakPolarHBondContact O-CB 3.13Å; L499-A503 PolarHBondContact O-N 2.87Å
500F85.2Confident82.1Confident141 Ų14170 Ų7062%0.61835%0.351SS*.Hα-helixtrans-67.5-40.7176.8-81.1-63.3000112.4V496 L497 E498 A503 Y504V496-F500 HydrophobicContact CG1-CD2 3.81Å; V496-F500 HydrophobicContact CG1-CE2 3.53Å; V496-F500 WeakPolarHBondContact O-CD2 3.29Å; V496-F500 PolarHBondContact O-N 3.45Å; V496-F500 VanDerWaalsContact O-N 3.08Å; L497-F500 PolarHBondContact O-N 2.87Å; E498-F500 VanDerWaalsContact C-N 3.34Å; F500-A503 PolarHBondContact O-N 2.85Å; F500-Y504 VanDerWaalsContact O-CB 3.3Å; F500-Y504 WeakPolarHBondContact O-CB 3.34Å; F500-Y504 PolarHBondContact O-N 3.44Å
501D85.3Confident81.9Confident101 Ų10174.3 Ų74.354%0.5437%0.37SS..Hα-helixtrans-63.8-45.8177.7-169.332.2000111.2L497 E498 A503 Y504 E505L497-D501 PolarHBondContact O-N 2.92Å; E498-D501 PolarHBondContact O-N 3.28Å; D501-A503 PolarHBondContact O-N 3.43Å; D501-Y504 WeakPolarHBondContact O-CB 3.39Å; D501-Y504 PolarHBondContact O-N 3.42Å; D501-E505 PolarHBondContact O-N 2.98Å
502Y82.5Confident81.6Confident48 Ų4877.2 Ų77.219%0.18839%0.388CS..Hα-helixtrans-61.2-44.5173.3178-100.5000112.4V16 I18 F21 E498 Y504 E505 V506V16-Y502 WeakPolarHBondContact O-CE2 3.44Å; I18-Y502 WeakPolarHBondContact CA-OH 3.34Å; I18-Y502 HydrophobicContact CD1-CE1 3.74Å; I18-Y502 PolarHBondContact N-OH 2.91Å; F21-Y502 HydrophobicContact CB-CD2 3.93Å; F21-Y502 HydrophobicContact CB-CE2 3.7Å; F21-Y502 HydrophobicContact CD1-CD1 4.06Å; F21-Y502 HydrophobicContact CD1-CD2 4.21Å; F21-Y502 HydrophobicContact CD1-CE1 4.27Å; F21-Y502 HydrophobicContact CD1-CE2 4.42Å; F21-Y502 HydrophobicContact CD1-CG 4.02Å; F21-Y502 AromaticContact CD2-CD2 3.56Å; F21-Y502 HydrophobicContact CD2-CD2 3.56Å; F21-Y502 HydrophobicContact CD2-CE2 4.24Å; F21-Y502 AromaticContact CD2-CG 3.77Å; F21-Y502 HydrophobicContact CD2-CG 3.77Å; F21-Y502 HydrophobicContact CE1-CD1 4.14Å; F21-Y502 HydrophobicContact CE1-CG 4.12Å; F21-Y502 HydrophobicContact CE2-CD2 4.11Å; F21-Y502 AromaticContact CE2-CG 3.87Å; F21-Y502 HydrophobicContact CE2-CG 3.87Å; F21-Y502 HydrophobicContact CG-CD1 4.29Å; F21-Y502 AromaticContact CG-CD2 3.61Å; F21-Y502 HydrophobicContact CG-CD2 3.61Å; F21-Y502 AromaticContact CG-CE2 3.86Å; F21-Y502 HydrophobicContact CG-CE2 3.86Å; F21-Y502 AromaticContact CG-CG 3.85Å; F21-Y502 HydrophobicContact CG-CG 3.85Å; F21-Y502 HydrophobicContact CZ-CD1 4.44Å; F21-Y502 HydrophobicContact CZ-CG 4.04Å; E498-Y502 WeakPolarHBondContact O-CB 3.41Å; E498-Y502 PolarHBondContact O-N 2.82Å; Y502-Y504 VanDerWaalsContact C-N 3.31Å; Y502-Y504 PolarHBondContact O-N 2.85Å; Y502-E505 PolarHBondContact O-N 3.19Å; Y502-V506 HydrophobicContact CD1-CG2 4.33Å; Y502-V506 HydrophobicContact CD2-CG2 4.47Å; Y502-V506 HydrophobicContact CE1-CG2 3.9Å; Y502-V506 HydrophobicContact CE2-CG2 4.05Å; Y502-V506 VanDerWaalsContact O-CG2 3.3Å; Y502-V506 WeakPolarHBondContact O-CG2 3.33Å; Y502-V506 PolarHBondContact O-N 2.98Å
503A83.8Confident80.9Confident38 Ų3883.9 Ų83.931%0.31441%0.408SS..Hα-helixtrans-61.4-41.1176.400000111.6L499 F500 D501 V506 I507L499-A503 VanDerWaalsContact O-CB 3.28Å; L499-A503 WeakPolarHBondContact O-CB 3.13Å; L499-A503 PolarHBondContact O-N 2.87Å; F500-A503 PolarHBondContact O-N 2.85Å; D501-A503 PolarHBondContact O-N 3.43Å; A503-V506 PolarHBondContact O-N 3.38Å; A503-I507 WeakPolarHBondContact O-CB 3.43Å; A503-I507 WeakPolarHBondContact O-CD1 3.26Å; A503-I507 WeakPolarHBondContact O-CG1 3.43Å; A503-I507 PolarHBondContact O-N 3.31Å
504Y86.9Confident80.1Confident140 Ų14090.4 Ų90.455%0.54943%0.429SS..Hα-helixtrans-61.6-49.3176.7177.1-98.8000111.7F500 D501 Y502 V506 I507 K508F500-Y504 VanDerWaalsContact O-CB 3.3Å; F500-Y504 WeakPolarHBondContact O-CB 3.34Å; F500-Y504 PolarHBondContact O-N 3.44Å; D501-Y504 WeakPolarHBondContact O-CB 3.39Å; D501-Y504 PolarHBondContact O-N 3.42Å; Y502-Y504 VanDerWaalsContact C-N 3.31Å; Y502-Y504 PolarHBondContact O-N 2.85Å; Y504-V506 VanDerWaalsContact C-N 3.34Å; Y504-V506 PolarHBondContact O-N 2.78Å; Y504-I507 PolarHBondContact O-N 2.67Å; Y504-K508 HydrophobicContact CE1-CD 3.91Å; Y504-K508 WeakPolarHBondContact O-CB 3.43Å; Y504-K508 PolarHBondContact O-N 3.48Å
505E83.6Confident79.1Confident64 Ų6487.4 Ų87.430%0.29942%0.421SS..Hα-helixtrans-61.8-39.7177.5-81.3-61.8146.600112.4D501 Y502 K508 H509D501-E505 PolarHBondContact O-N 2.98Å; Y502-E505 PolarHBondContact O-N 3.19Å; E505-K508 IonicContact OE1-NZ 3.51Å; E505-K508 PolarHBondContact OE1-NZ 3.01Å; E505-K508 IonicContact OE2-NZ 3.9Å; E505-H509 WeakPolarHBondContact O-CB 3.4Å; E505-H509 PolarHBondContact O-N 3.42Å
506V82.3Confident77.9Confident33 Ų3394.1 Ų94.120%0.245%0.45CS..Hα-helixtrans-65.9-42.9175.1172.10000112P15 Y502 A503 Y504 K510P15-V506 HydrophobicContact CB-CG2 4.21Å; Y502-V506 HydrophobicContact CD1-CG2 4.33Å; Y502-V506 HydrophobicContact CD2-CG2 4.47Å; Y502-V506 HydrophobicContact CE1-CG2 3.9Å; Y502-V506 HydrophobicContact CE2-CG2 4.05Å; Y502-V506 VanDerWaalsContact O-CG2 3.3Å; Y502-V506 WeakPolarHBondContact O-CG2 3.33Å; Y502-V506 PolarHBondContact O-N 2.98Å; A503-V506 PolarHBondContact O-N 3.38Å; Y504-V506 VanDerWaalsContact C-N 3.34Å; Y504-V506 PolarHBondContact O-N 2.78Å; V506-K510 HydrophobicContact CG1-CD 4.46Å; V506-K510 WeakPolarHBondContact O-CB 3.42Å; V506-K510 WeakPolarHBondContact O-CG 3.4Å; V506-K510 PolarHBondContact O-N 2.98Å
507I83.6Confident76.3Confident97 Ų9795 Ų9550%0.49746%0.458SS..Hα-helixtrans-65.8-47.7178.3-71.2165.8000110.2A503 Y504 H509 K510 L511A503-I507 WeakPolarHBondContact O-CB 3.43Å; A503-I507 WeakPolarHBondContact O-CD1 3.26Å; A503-I507 WeakPolarHBondContact O-CG1 3.43Å; A503-I507 PolarHBondContact O-N 3.31Å; Y504-I507 PolarHBondContact O-N 2.67Å; I507-H509 VanDerWaalsContact C-N 3.35Å; I507-H509 PolarHBondContact O-N 2.91Å; I507-K510 PolarHBondContact O-N 3.46Å; I507-L511 HydrophobicContact CG2-CD1 3.7Å; I507-L511 HydrophobicContact CG2-CG 4.24Å; I507-L511 WeakPolarHBondContact O-CB 3.28Å; I507-L511 WeakPolarHBondContact O-CG 3.35Å; I507-L511 PolarHBondContact O-N 3.43Å
508K81.3Confident74.6Confident90 Ų9097.4 Ų97.439%0.39147%0.466SS..Hα-helixtrans-55.2-48.2175.3178.1-179.6166.6-164.60111.1Y504 E505 K510 L511 C512Y504-K508 HydrophobicContact CE1-CD 3.91Å; Y504-K508 WeakPolarHBondContact O-CB 3.43Å; Y504-K508 PolarHBondContact O-N 3.48Å; E505-K508 IonicContact OE1-NZ 3.51Å; E505-K508 PolarHBondContact OE1-NZ 3.01Å; E505-K508 IonicContact OE2-NZ 3.9Å; K508-K510 PolarHBondContact O-N 2.89Å; K508-L511 PolarHBondContact O-N 3.42Å; K508-C512 WeakPolarHBondContact O-CB 3.48Å; K508-C512 PolarHBondContact O-N 3.48Å; K508-C512 PolarHBondContact O-SG 2.86Å
509H79Confident73Confident62 Ų62101.8 Ų101.829%0.28748%0.484SS..Hα-helixtrans-63.1-43.2176.5-178-97.7000112.8P15 E505 I507 C512 R513P15-H509 VanDerWaalsContact CD-CD2 3.43Å; P15-H509 WeakPolarHBondContact CD-CD2 3.4Å; P15-H509 VanDerWaalsContact CD-CG 3.41Å; P15-H509 HydrophobicContact CG-CB 4.08Å; E505-H509 WeakPolarHBondContact O-CB 3.4Å; E505-H509 PolarHBondContact O-N 3.42Å; I507-H509 VanDerWaalsContact C-N 3.35Å; I507-H509 PolarHBondContact O-N 2.91Å; H509-C512 PolarHBondContact O-N 3.41Å; H509-R513 WeakPolarHBondContact O-CB 3.46Å; H509-R513 PolarHBondContact O-N 3.44Å
510K78Confident71.3Confident144 Ų144104.8 Ų104.863%0.62650%0.497SS*.Hα-helixtrans-63.8-39.9176.2-79.1-176.3179.6178.10112.6V506 I507 K508 R513 R514V506-K510 HydrophobicContact CG1-CD 4.46Å; V506-K510 WeakPolarHBondContact O-CB 3.42Å; V506-K510 WeakPolarHBondContact O-CG 3.4Å; V506-K510 PolarHBondContact O-N 2.98Å; I507-K510 PolarHBondContact O-N 3.46Å; K508-K510 PolarHBondContact O-N 2.89Å; K510-R513 PolarHBondContact O-N 3.45Å; K510-R514 PolarHBondContact O-N 3.24Å
511L77.6Confident69.5Low108 Ų108101.1 Ų101.157%0.56549%0.493SS*.Hα-helixtrans-68.4-42.5176.2-71.3172.7000111.5I507 K508 R513 R514 G515I507-L511 HydrophobicContact CG2-CD1 3.7Å; I507-L511 HydrophobicContact CG2-CG 4.24Å; I507-L511 WeakPolarHBondContact O-CB 3.28Å; I507-L511 WeakPolarHBondContact O-CG 3.35Å; I507-L511 PolarHBondContact O-N 3.43Å; K508-L511 PolarHBondContact O-N 3.42Å; L511-R513 VanDerWaalsContact C-N 3.32Å; L511-R513 PolarHBondContact O-N 3.07Å; L511-R514 PolarHBondContact O-N 3.16Å; L511-G515 PolarHBondContact O-N 3.05Å
512C71.4Confident67.7Low73 Ų73104.8 Ų104.849%0.49350%0.504SS..Hα-helixtrans-61.6-38.1173-74.40000112.3K508 H509 G515 K516K508-C512 WeakPolarHBondContact O-CB 3.48Å; K508-C512 PolarHBondContact O-N 3.48Å; K508-C512 PolarHBondContact O-SG 2.86Å; H509-C512 PolarHBondContact O-N 3.41Å; C512-G515 PolarHBondContact O-N 3.48Å; C512-K516 WeakPolarHBondContact O-CB 3.29Å; C512-K516 WeakPolarHBondContact O-CG 3.38Å; C512-K516 PolarHBondContact O-N 2.93Å
513R67.4Low66Low173 Ų173112.4 Ų112.465%0.65353%0.532SS*.Hα-helixtrans-69.3-39.1175.7-159.8175.8-178.6-174.81.5112.2H509 K510 L511 K516 C517H509-R513 WeakPolarHBondContact O-CB 3.46Å; H509-R513 PolarHBondContact O-N 3.44Å; K510-R513 PolarHBondContact O-N 3.45Å; L511-R513 VanDerWaalsContact C-N 3.32Å; L511-R513 PolarHBondContact O-N 3.07Å; R513-K516 PolarHBondContact O-N 2.68Å; R513-C517 WeakPolarHBondContact O-CB 3.38Å; R513-C517 PolarHBondContact O-N 3.1Å
514R60.5Low64Low194 Ų194114.7 Ų114.773%0.73255%0.546SS*.Hα-helixtrans-64.7-40.8171.4-100.3178.7168.6178.3-3.8112.5K510 L511 C517 Q518K510-R514 PolarHBondContact O-N 3.24Å; L511-R514 PolarHBondContact O-N 3.16Å; R514-C517 PolarHBondContact O-N 3.09Å; R514-Q518 PolarHBondContact O-N 3.49Å
515G58.6Low61.8Low32 Ų32113.1 Ų113.133%0.3356%0.555SS.*Hα-helixtrans-67-37.6174.900000113.3L511 C512 Q518 K519L511-G515 PolarHBondContact O-N 3.05Å; C512-G515 PolarHBondContact O-N 3.48Å; G515-Q518 PolarHBondContact O-N 3.37Å; G515-K519 PolarHBondContact O-N 3.47Å
516K55.3Low60Low143 Ų143114.1 Ų114.162%0.62257%0.574SS**Hα-helixtrans-68.4-42.1171.5-77.4-178.3178.5-177.60112.1C512 R513 Q518 K519 E520C512-K516 WeakPolarHBondContact O-CB 3.29Å; C512-K516 WeakPolarHBondContact O-CG 3.38Å; C512-K516 PolarHBondContact O-N 2.93Å; R513-K516 PolarHBondContact O-N 2.68Å; K516-Q518 VanDerWaalsContact C-N 3.32Å; K516-Q518 PolarHBondContact O-N 2.98Å; K516-K519 PolarHBondContact O-N 3.1Å; K516-K519 VanDerWaalsContact O-N 3.16Å; K516-E520 PolarHBondContact O-N 3.16Å
517C47.9Very low58.2Low72 Ų72119.5 Ų119.549%0.48660%0.602SS.*Hα-helixtrans-62.7-34.4172.4-84.50000113.1R513 R514 A521R513-C517 WeakPolarHBondContact O-CB 3.38Å; R513-C517 PolarHBondContact O-N 3.1Å; R514-C517 PolarHBondContact O-N 3.09Å; C517-A521 VanDerWaalsContact O-CB 3.31Å; C517-A521 WeakPolarHBondContact O-CB 3.43Å; C517-A521 PolarHBondContact O-N 3.47Å
518Q49.6Very low56.1Low149 Ų149124.7 Ų124.770%0.69662%0.621SS**Hα-helixtrans-70.3-35.9172.7-80.8-174.2-14.200112.6R514 G515 K516 K522R514-Q518 PolarHBondContact O-N 3.49Å; G515-Q518 PolarHBondContact O-N 3.37Å; K516-Q518 VanDerWaalsContact C-N 3.32Å; K516-Q518 PolarHBondContact O-N 2.98Å; Q518-K522 PolarHBondContact O-N 3.13Å; Q518-K522 VanDerWaalsContact O-N 3.13Å
519K49.3Very low54Low166 Ų166123.6 Ų123.672%0.72264%0.635SS**Hα-helixtrans-66.9-38.8172.3-80.6-177.6175.5-178.80112.2G515 K516 R523G515-K519 PolarHBondContact O-N 3.47Å; K516-K519 PolarHBondContact O-N 3.1Å; K516-K519 VanDerWaalsContact O-N 3.16Å; K519-R523 PolarHBondContact O-N 2.83Å; K519-R523 VanDerWaalsContact O-N 3.12Å
520E49.2Very low51.7Low132 Ų132127.7 Ų127.762%0.61766%0.664SS**Hα-helixtrans-70.8-37.5175-77177.3166.100112.8K516 K522 R523 S524K516-E520 PolarHBondContact O-N 3.16Å; E520-K522 VanDerWaalsContact C-N 3.35Å; E520-K522 PolarHBondContact O-N 2.9Å; E520-R523 PolarHBondContact O-N 2.87Å; E520-R523 VanDerWaalsContact O-N 3.16Å; E520-S524 WeakPolarHBondContact O-CB 3.31Å; E520-S524 PolarHBondContact O-N 3.12Å
521A45.7Very low49.5Very low65 Ų65125.3 Ų125.354%0.53767%0.672SS.*Hα-helixtrans-64.6-37174.100000112.4C517 S525C517-A521 VanDerWaalsContact O-CB 3.31Å; C517-A521 WeakPolarHBondContact O-CB 3.43Å; C517-A521 PolarHBondContact O-N 3.47Å; A521-S525 PolarHBondContact O-N 3.46Å
522K47.7Very low47.2Very low177 Ų177128.4 Ų128.477%0.7769%0.688SS**Hα-helixtrans-67.3-33.4171.3-100.4-177.2174.7-179.40112.9Q518 E520Q518-K522 PolarHBondContact O-N 3.13Å; Q518-K522 VanDerWaalsContact O-N 3.13Å; E520-K522 VanDerWaalsContact C-N 3.35Å; E520-K522 PolarHBondContact O-N 2.9Å
523R47.3Very low45.1Very low209 Ų209130.5 Ų130.579%0.78970%0.703SS**Hα-helixtrans-75.5-36.2177.5-142.8173-172.4178.61.2111.9K519 E520 A526K519-R523 PolarHBondContact O-N 2.83Å; K519-R523 VanDerWaalsContact O-N 3.12Å; E520-R523 PolarHBondContact O-N 2.87Å; E520-R523 VanDerWaalsContact O-N 3.16Å; R523-A526 PolarHBondContact O-N 3.34Å
524S41.7Very low43.3Very low86 Ų86128.5 Ų128.560%0.60171%0.705SS**Hα-helixtrans-71.4-29.8178.9-173.60000113.5E520 A526E520-S524 WeakPolarHBondContact O-CB 3.31Å; E520-S524 PolarHBondContact O-N 3.12Å; S524-A526 VanDerWaalsContact C-N 3.28Å; S524-A526 PolarHBondContact O-N 3.23Å
525S41.3Very low41.9Very low106 Ų106125.6 Ų125.674%0.74170%0.704SS**THydrogen-bonded Turntrans-76.1-12.9175.2-1680000114A521A521-S525 PolarHBondContact O-N 3.46Å
526A45.6Very low40.4Very low85 Ų85130.8 Ų130.870%0.70272%0.724SS**THydrogen-bonded Turntrans-93.4-7.6179.300000113.7R523 S524R523-A526 PolarHBondContact O-N 3.34Å; S524-A526 VanDerWaalsContact C-N 3.28Å; S524-A526 PolarHBondContact O-N 3.23Å
527D44.5Very low39.2Very low147 Ų147129.7 Ų129.779%0.78673%0.729SS**SBendtrans-111.119-170.5-136.96.7000113.8
528K40Very low38.2Very low205 Ų205134.4 Ų134.489%0.89174%0.741SS**SBendtrans-117.578.1168.5-78.7-173.2177.5178.60110.1
529G35.5Very low37.1Very low67 Ų67136.9 Ų136.969%0.69174%0.744SS**  trans173.395169.300000112
530V32.2Very low36Very low149 Ų149137.5 Ų137.590%0.90375%0.749SS**  trans155.4121.2130.3166.30000109.3
531A30.9Very low35Very low94 Ų94138.4 Ų138.478%0.77776%0.758SS**  trans-77.5155.7177.800000112.3
532L29.6Very low34.7Very low172 Ų172141.2 Ų141.290%0.90177%0.771SS**  trans-60.5143.9175.6-76.5151.5000113.4
533S26.7Very low33.7Very low117 Ų117138.5 Ų138.582%0.81877%0.773SS**  trans-138.9128.7150.7-1680000109.9
534L31.3Very low32.8Very low132 Ų132137.9 Ų137.969%0.69178%0.779SS**  trans-67.4159.3155.8-86.182.6000108.4
535D29.9Very low32.2Very low132 Ų132138.5 Ų138.571%0.70678%0.784SS**  cis-160.5175.715.9-109-32000108.7
536D28.4Very low31.6Very low142 Ų142140.4 Ų140.476%0.75978%0.784SS**  trans115.2111.8146.7-73.3-35.5000122.2
537V29.2Very low30.8Very low119 Ų119147.8 Ų147.872%0.72179%0.794SS**  61.6102.8122.5-177.10000120.6
538K27Very low30Very low171 Ų171144.5 Ų144.574%0.74380%0.795SS**  59.2124.1118.9-138.1176-167.1172.90121.2
539R26Very low29.5Very low201 Ų201143.8 Ų143.876%0.75880%0.795SS**  trans81.2114.1145.9-89.6171.8-175.4-172.91120.1
540H25.8Very low29.7Very low179 Ų179146.2 Ų146.283%0.82980%0.798SS**  176.5133.4101.6-104.3-83.8000112
541N29.8Very low29.6Very low152 Ų152144 Ų14481%0.81380%0.795SS**  trans-77.8163.2158.2-87.7-8000109
542P38.7Very low29.4Very low124 Ų124143 Ų14381%0.80579%0.794SS**  cis-150.6-175.341.239.1-14.9000118.4
543C26.8Very low29.3Very low119 Ų119144.2 Ų144.280%0.80480%0.798SS**  trans-41.7149.9167.5-79.40000117.1
544E27Very low29.5Very low196 Ų196143.8 Ų143.892%0.91679%0.79SS**  -175.9162.1111.5-109.6-177.8164.100115.1
545S29.5Very low29.4Very low100 Ų100148.1 Ų148.170%0.69980%0.799SS**  trans-76.6153.4-172.21770000114.9
546L29Very low29.4Very low145 Ų145146.2 Ų146.276%0.75980%0.802SS**  171.3134.2119.3-113.887.8000114.3
547R29.1Very low29.5Very low240 Ų240143.5 Ų143.591%0.90680%0.799SS**  trans26.1138.1140.6-80.7178.3170.8161-2.2122.3
548G27.3Very low29.5Very low79 Ų79145.1 Ų145.181%0.81480%0.804SS**  trans178.5101.2146.200000115.3
549H29.5Very low29.8Very low189 Ų189144.6 Ų144.688%0.87581%0.807SS**  trans-76.6159.2155.1-96.2-56000109.5
550P39.6Very low30.1Very low118 Ų118142 Ų14277%0.76681%0.808SS**  -138.514880.719.54.8000114.4
551A30.5Very low30.6Very low102 Ų102139.6 Ų139.684%0.84381%0.808SS**  49.4131.910700000115.4
552G27Very low30.6Very low73 Ų73139.6 Ų139.675%0.75380%0.803SS**  cis156.6141.35.800000107.9
553M28.1Very low30.2Very low198 Ų198141.5 Ų141.598%0.97580%0.801SS**  trans-165.5146.9152.8-138.7151.2168.500110
554T29.1Very low30.6Very low108 Ų108142 Ų14266%0.66380%0.802SS**  trans-129.4146.3-144.226.30000113
555Y30.1Very low30.7Very low223 Ų223137 Ų13788%0.87580%0.795SS**  trans61.4149.2147.1-65.1-67.6000118.8
556A29.3Very low30.6Very low92 Ų92144.5 Ų144.576%0.7681%0.808SS**  cis-157158.226.700000113.6
557A31.3Very low30.5Very low85 Ų85140.6 Ų140.670%0.70280%0.803SS**  trans-100160.6164.600000110.5
558N29.2Very low30.5Very low154 Ų154135.5 Ų135.582%0.82480%0.799SS**  trans-161.3110.7154.8-86.2-26.9000106.4
559I32.2Very low30.4Very low159 Ų159140.4 Ų140.482%0.81580%0.798SS**  73.511671.1-62175.4000113.8
560L32.3Very low30.4Very low148 Ų148138.6 Ų138.678%0.77579%0.79SS**  trans-61.8170.1172.1-83.7144.9000114.4
561P37.9Very low29.8Very low128 Ų128139.7 Ų139.783%0.83179%0.789SS**  -149.2169.898.333.8-12.7000117.4
562H28.9Very low29.7Very low152 Ų152143.7 Ų143.770%0.70479%0.788SS**  trans-80.1151.1-174-96-84.4000117.7
563H30.6Very low29.8Very low163 Ų163146.1 Ų146.176%0.75579%0.788SS**  trans62.4157.6140.8-78.7-40.6000122.8
564P36Very low30.1Very low129 Ų129146.6 Ų146.684%0.83881%0.808SS**  cis-142.8-172.73339.6-16.2000119
565A28.2Very low30.2Very low93 Ų93148.5 Ų148.577%0.76982%0.816SS**  trans-75.1156.1-163.600000119.5
566R27.7Very low30.2Very low257 Ų257144.6 Ų144.697%0.9781%0.813SS**  trans178.3138.8133.8-113.2177.4171174.6-3.1114.6
567G27.4Very low30.2Very low63 Ų63147.5 Ų147.565%0.64982%0.816SS**  trans108.19115200000116.3
568T27.5Very low30.2Very low133 Ų133151.2 Ų151.282%0.81682%0.822SS**  66.8109.497.653.40000114.4
569F26.5Very low30.2Very low182 Ų182151 Ų15180%0.79882%0.822SS**  71126.2105.5-118.4-116.1000111.3
570E29.2Very low30.1Very low151 Ų151150.5 Ų150.571%0.70682%0.823SS**  cis-173.5162.138.9-154.1166.9-161.100109.1
571D28Very low29.9Very low141 Ų141150.6 Ų150.675%0.75483%0.826SS**  trans-54.1162.5174-66.1-58.1000114.5
572F27.6Very low29.3Very low186 Ų186152.4 Ų152.482%0.81683%0.826SS**  -176.1123.3115.5-104.9-78.4000111.8
573T29.6Very low29.3Very low124 Ų124152.4 Ų152.476%0.76184%0.836SS**  trans-54.1145.3154.742.40000112.7
574C33.9Very low29.2Very low207 Ų207151.5 Ų151.5100%1.39984%0.843SS**  trans-143.60134.5-130.30000109

Retrieved 574 of 574 residues in 208.6 ms (Link to these results)

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