A0A077Z2P3_TRITR Loading...

ShK and DUF1794 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2P3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 269 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
1M54.8Low63.3Low230 Ų230140.2 Ų140.2100%1.13369%0.685SS**  0-12.50-78179.4-151.500113.2Q3M1-Q3 PolarHBondContact O-N 3.13Å
2E57Low63.9Low176 Ų176134.6 Ų134.682%0.82267%0.665SS**THydrogen-bonded Turntrans-69.2-22.7-176.3-134.9169.1150.800115.7R4E2-R4 PolarHBondContact O-N 3.42Å
3Q55.4Low64.4Low180 Ų180132.5 Ų132.584%0.84166%0.657SS**Hα-helixtrans-77.6-18.2-172.7-135.3165.9-9.600114M1M1-Q3 PolarHBondContact O-N 3.13Å
4R59.4Low64.7Low189 Ų189129.2 Ų129.271%0.71365%0.652SS**Hα-helixtrans-77.6-33.9179.9-115.5175.576.8-174.74.1112.2E2 F6 C7 F8E2-R4 PolarHBondContact O-N 3.42Å; R4-F6 VanDerWaalsContact C-N 3.33Å; R4-F6 PolarHBondContact O-N 3.08Å; R4-C7 PolarHBondContact O-N 2.77Å; R4-F8 WeakPolarHBondContact O-CD2 3.4Å
5D62.4Low65.1Low116 Ų116126.7 Ų126.762%0.6264%0.64SS**Hα-helixtrans-71.7-30.9-175.8-64.1-27.4000112C7 F8 A9D5-C7 VanDerWaalsContact C-N 3.34Å; D5-C7 PolarHBondContact O-N 3.33Å; D5-F8 PolarHBondContact O-N 3.42Å; D5-A9 PolarHBondContact O-N 2.86Å; D5-A9 VanDerWaalsContact O-N 3.13Å
6F63.3Low65Low163 Ų163125.2 Ų125.272%0.71563%0.632SS**Hα-helixtrans-65.3-34.9176.6-134-89.1000113R4 M10R4-F6 VanDerWaalsContact C-N 3.33Å; R4-F6 PolarHBondContact O-N 3.08Å; F6-M10 WeakPolarHBondContact O-CG 3.44Å; F6-M10 PolarHBondContact O-N 3.14Å
7C67.4Low64.7Low84 Ų84124.5 Ų124.557%0.56863%0.628SS**Hα-helixtrans-69.2-40.2176.4-103.80000112.2R4 D5 L11R4-C7 PolarHBondContact O-N 2.77Å; D5-C7 VanDerWaalsContact C-N 3.34Å; D5-C7 PolarHBondContact O-N 3.33Å; C7-L11 WeakPolarHBondContact O-CB 3.46Å; C7-L11 PolarHBondContact O-N 2.93Å
8F68.1Low64.5Low126 Ų126121.8 Ų121.855%0.55362%0.619SS**Hα-helixtrans-66.3-42.5178.2-86.4-81.8000111.8R4 D5 M10 L11 T12R4-F8 WeakPolarHBondContact O-CD2 3.4Å; D5-F8 PolarHBondContact O-N 3.42Å; F8-M10 PolarHBondContact O-N 3.35Å; F8-L11 PolarHBondContact O-N 3.32Å; F8-T12 PolarHBondContact O-N 3.37Å; F8-T12 PolarHBondContact O-OG1 3.49Å; F8-T12 VanDerWaalsContact O-OG1 3.08Å
9A69.6Low64.1Low49 Ų49119.5 Ų119.541%0.40561%0.612SS.*Hα-helixtrans-59.8-46.3176.700000112.1D5 L11 T12 L13D5-A9 PolarHBondContact O-N 2.86Å; D5-A9 VanDerWaalsContact O-N 3.13Å; A9-L11 PolarHBondContact O-N 3.38Å; A9-T12 WeakPolarHBondContact CA-OG1 3.44Å; A9-T12 PolarHBondContact O-N 3.23Å; A9-T12 PolarHBondContact O-OG1 2.96Å; A9-L13 PolarHBondContact O-N 3.18Å
10M68.8Low63.7Low125 Ų125117.1 Ų117.162%0.61660%0.603SS**Hα-helixtrans-64-40.6177.7-73.9-69.5-101.600112.4F6 F8 L13 C14F6-M10 WeakPolarHBondContact O-CG 3.44Å; F6-M10 PolarHBondContact O-N 3.14Å; F8-M10 PolarHBondContact O-N 3.35Å; M10-L13 PolarHBondContact O-N 3.47Å; M10-C14 WeakPolarHBondContact O-CB 3.18Å; M10-C14 PolarHBondContact O-N 3.05Å
11L69.9Low63Low104 Ų104118 Ų11855%0.54560%0.604SS.*Hα-helixtrans-62.6-44.3174.4-103.2144.7000111.9C7 F8 A9 L13 C14 I15C7-L11 WeakPolarHBondContact O-CB 3.46Å; C7-L11 PolarHBondContact O-N 2.93Å; F8-L11 PolarHBondContact O-N 3.32Å; A9-L11 PolarHBondContact O-N 3.38Å; L11-L13 PolarHBondContact O-N 3.41Å; L11-C14 PolarHBondContact O-N 2.98Å; L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.24Å; L11-I15 PolarHBondContact O-N 2.93Å
12T70.1Confident62.9Low73 Ų73112.2 Ų112.245%0.44858%0.582SS.*Hα-helixtrans-64.6-39.5177.248.10000112.6F8 A9 I15 I16F8-T12 PolarHBondContact O-N 3.37Å; F8-T12 PolarHBondContact O-OG1 3.49Å; F8-T12 VanDerWaalsContact O-OG1 3.08Å; A9-T12 WeakPolarHBondContact CA-OG1 3.44Å; A9-T12 PolarHBondContact O-N 3.23Å; A9-T12 PolarHBondContact O-OG1 2.96Å; T12-I15 PolarHBondContact O-N 3.48Å; T12-I16 WeakPolarHBondContact O-CB 3.11Å; T12-I16 WeakPolarHBondContact O-CD1 3.11Å; T12-I16 WeakPolarHBondContact O-CG1 3.24Å; T12-I16 PolarHBondContact O-N 3.31Å
13L70.3Confident62.7Low108 Ų108107.6 Ų107.657%0.56557%0.574SS**Hα-helixtrans-66.1-40.3175.4-108.9133.1000112.1A9 M10 L11 I16 M17A9-L13 PolarHBondContact O-N 3.18Å; M10-L13 PolarHBondContact O-N 3.47Å; L11-L13 PolarHBondContact O-N 3.41Å; L13-I16 PolarHBondContact O-N 3.34Å; L13-M17 WeakPolarHBondContact O-CB 3.35Å; L13-M17 WeakPolarHBondContact O-CG 3.47Å; L13-M17 PolarHBondContact O-N 2.86Å
14C69.9Low62.6Low86 Ų86105.4 Ų105.458%0.58157%0.567SS**Hα-helixtrans-63.6-42.7173.8-103.50000112.1M10 L11 M17 T18M10-C14 WeakPolarHBondContact O-CB 3.18Å; M10-C14 PolarHBondContact O-N 3.05Å; L11-C14 PolarHBondContact O-N 2.98Å; C14-M17 PolarHBondContact O-N 3.4Å; C14-T18 WeakPolarHBondContact O-CG2 3.45Å; C14-T18 PolarHBondContact O-N 3.35Å; C14-T18 PolarHBondContact O-OG1 3.5Å; C14-T18 VanDerWaalsContact O-OG1 3.06Å
15I70.1Confident62.6Low92 Ų9298.5 Ų98.547%0.47256%0.555SS.*Hα-helixtrans-65.3-41.5176.4-66.4164.6000110.5L11 T12 T18 V19L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.24Å; L11-I15 PolarHBondContact O-N 2.93Å; T12-I15 PolarHBondContact O-N 3.48Å; I15-T18 WeakPolarHBondContact CA-OG1 3.48Å; I15-T18 PolarHBondContact O-N 3.06Å; I15-T18 PolarHBondContact O-OG1 2.79Å; I15-T18 VanDerWaalsContact O-OG1 3.05Å; I15-V19 HydrophobicContact CG2-CG2 4.11Å; I15-V19 VanDerWaalsContact O-CB 3.24Å; I15-V19 WeakPolarHBondContact O-CB 3.39Å; I15-V19 WeakPolarHBondContact O-CG2 3.46Å; I15-V19 PolarHBondContact O-N 2.83Å
16I63.4Low63.3Low102 Ų102101.6 Ų101.652%0.52357%0.566SS.*Hα-helixtrans-63.8-43.2175.6-68.3163.4000110.1T12 L13 V19 V20T12-I16 WeakPolarHBondContact O-CB 3.11Å; T12-I16 WeakPolarHBondContact O-CD1 3.11Å; T12-I16 WeakPolarHBondContact O-CG1 3.24Å; T12-I16 PolarHBondContact O-N 3.31Å; L13-I16 PolarHBondContact O-N 3.34Å; I16-V19 PolarHBondContact O-N 3.22Å; I16-V20 HydrophobicContact CG2-CG2 4.15Å; I16-V20 VanDerWaalsContact O-CB 3.28Å; I16-V20 WeakPolarHBondContact O-CB 3.43Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 3.12Å
17M60.3Low64.3Low114 Ų11496.6 Ų96.656%0.56255%0.551SS**Hα-helixtrans-64.7-41.5178.1-74.1-79.9-79.500112.4L13 C14 V20 Q21L13-M17 WeakPolarHBondContact O-CB 3.35Å; L13-M17 WeakPolarHBondContact O-CG 3.47Å; L13-M17 PolarHBondContact O-N 2.86Å; C14-M17 PolarHBondContact O-N 3.4Å; M17-V20 PolarHBondContact O-N 2.88Å; M17-Q21 WeakPolarHBondContact O-CB 3.43Å; M17-Q21 WeakPolarHBondContact O-CG 3.19Å; M17-Q21 PolarHBondContact O-N 2.88Å
18T60.2Low65.3Low76 Ų7695.3 Ų95.347%0.46654%0.541SS..Hα-helixtrans-69.9-40.8175.752.70000111.5C14 I15 V20 Q21 T22C14-T18 WeakPolarHBondContact O-CG2 3.45Å; C14-T18 PolarHBondContact O-N 3.35Å; C14-T18 PolarHBondContact O-OG1 3.5Å; C14-T18 VanDerWaalsContact O-OG1 3.06Å; I15-T18 WeakPolarHBondContact CA-OG1 3.48Å; I15-T18 PolarHBondContact O-N 3.06Å; I15-T18 PolarHBondContact O-OG1 2.79Å; I15-T18 VanDerWaalsContact O-OG1 3.05Å; T18-V20 VanDerWaalsContact C-N 3.33Å; T18-V20 PolarHBondContact O-N 3.27Å; T18-Q21 PolarHBondContact O-N 3.05Å; T18-T22 WeakPolarHBondContact O-CG2 3.13Å; T18-T22 PolarHBondContact O-N 3.46Å; T18-T22 PolarHBondContact O-OG1 3.46Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å
19V58.2Low66.4Low78 Ų7890.2 Ų90.247%0.47352%0.521SS..Hα-helixtrans-62.3-41.3174.5172.80000110.6I15 I16 T22 A23I15-V19 HydrophobicContact CG2-CG2 4.11Å; I15-V19 VanDerWaalsContact O-CB 3.24Å; I15-V19 WeakPolarHBondContact O-CB 3.39Å; I15-V19 WeakPolarHBondContact O-CG2 3.46Å; I15-V19 PolarHBondContact O-N 2.83Å; I16-V19 PolarHBondContact O-N 3.22Å; V19-T22 VanDerWaalsContact CA-OG1 3.3Å; V19-T22 WeakPolarHBondContact CA-OG1 3.3Å; V19-T22 CarbonylContact O-C 3.52Å; V19-T22 PolarHBondContact O-N 2.75Å; V19-T22 PolarHBondContact O-OG1 3.4Å; V19-A23 WeakPolarHBondContact O-CB 3.37Å; V19-A23 PolarHBondContact O-N 2.83Å
20V54.7Low67.5Low71 Ų7191.7 Ų91.743%0.4353%0.525SS..Hα-helixtrans-66.9-39176.3170.80000111.6I16 M17 T18 T22 A23 L24I16-V20 HydrophobicContact CG2-CG2 4.15Å; I16-V20 VanDerWaalsContact O-CB 3.28Å; I16-V20 WeakPolarHBondContact O-CB 3.43Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 3.12Å; M17-V20 PolarHBondContact O-N 2.88Å; T18-V20 VanDerWaalsContact C-N 3.33Å; T18-V20 PolarHBondContact O-N 3.27Å; V20-T22 VanDerWaalsContact C-N 3.31Å; V20-T22 PolarHBondContact O-N 3.44Å; V20-A23 PolarHBondContact O-N 2.91Å; V20-L24 HydrophobicContact CG1-CD1 4.26Å; V20-L24 PolarHBondContact O-N 2.93Å
21Q50.6Low68.7Low135 Ų13589 Ų8963%0.63151%0.511SS*.Hα-helixtrans-67.1-30.5172.8-76.8-177.6-20.400112.9M17 T18M17-Q21 WeakPolarHBondContact O-CB 3.43Å; M17-Q21 WeakPolarHBondContact O-CG 3.19Å; M17-Q21 PolarHBondContact O-N 2.88Å; T18-Q21 PolarHBondContact O-N 3.05Å
22T52.2Low69.7Low109 Ų10985.1 Ų85.167%0.66950%0.496SS*.Hα-helixtrans-82-24.2172.657.60000113.3T18 V19 V20T18-T22 WeakPolarHBondContact O-CG2 3.13Å; T18-T22 PolarHBondContact O-N 3.46Å; T18-T22 PolarHBondContact O-OG1 3.46Å; T18-T22 VanDerWaalsContact O-OG1 3.12Å; V19-T22 VanDerWaalsContact CA-OG1 3.3Å; V19-T22 WeakPolarHBondContact CA-OG1 3.3Å; V19-T22 CarbonylContact O-C 3.52Å; V19-T22 PolarHBondContact O-N 2.75Å; V19-T22 PolarHBondContact O-OG1 3.4Å; V20-T22 VanDerWaalsContact C-N 3.31Å; V20-T22 PolarHBondContact O-N 3.44Å
23A52.1Low70.8Confident80 Ų8089 Ų8966%0.66151%0.507SS*.Hα-helixtrans-85.4-28.7-179.200000112.7V19 V20 G25V19-A23 WeakPolarHBondContact O-CB 3.37Å; V19-A23 PolarHBondContact O-N 2.83Å; V20-A23 PolarHBondContact O-N 2.91Å; A23-G25 VanDerWaalsContact C-N 3.27Å; A23-G25 PolarHBondContact O-N 3.28Å
24L52.9Low71.7Confident134 Ų13485.9 Ų85.970%0.70249%0.493SS*.SBendtrans-83.779.5160.1-77.4159.2000107.6V20 Q26V20-L24 HydrophobicContact CG1-CD1 4.26Å; V20-L24 PolarHBondContact O-N 2.93Å; L24-Q26 PolarHBondContact O-N 3.48Å; L24-Q26 VanDerWaalsContact O-N 3.09Å
25G60.8Low72.6Confident44 Ų4483.3 Ų83.345%0.45448%0.476SS..  trans-42.8120.7179.200000110.7A23 C27A23-G25 VanDerWaalsContact C-N 3.27Å; A23-G25 PolarHBondContact O-N 3.28Å; G25-C27 PolarHBondContact O-N 3.09Å; G25-C27 VanDerWaalsContact O-N 3.17Å
26Q76Confident73.2Confident180 Ų18089 Ų8984%0.84150%0.498SS*.  trans-52.6126.5-180-78.2174.7-15.600109.2L24 P28L24-Q26 PolarHBondContact O-N 3.48Å; L24-Q26 VanDerWaalsContact O-N 3.09Å; Q26-P28 WeakPolarHBondContact O-CD 3.41Å; Q26-P28 VanDerWaalsContact O-N 3.15Å
27C83.7Confident74.2Confident59 Ų5990.9 Ų90.940%0.39951%0.509SS..  trans-55.3118.9-179.6176.90000109.6G25 C29 C34G25-C27 PolarHBondContact O-N 3.09Å; G25-C27 VanDerWaalsContact O-N 3.17Å; C27-C29 PolarHBondContact O-N 3.17Å; C27-C29 VanDerWaalsContact O-N 3.09Å; C27-C29 PolarHBondContact SG-SG 3.07Å; C27-C34 WeakPolarHBondContact CA-SG 3.14Å; C27-C34 HydrophobicContact CB-CB 3.85Å; C27-C34 WeakPolarHBondContact CB-SG 3.48Å; C27-C34 WeakPolarHBondContact SG-CB 3.3Å; C27-C34 PolarHBondContact SG-N 3.02Å; C27-C34 VanDerWaalsContact SG-N 3.43Å; C27-C34 CovalentContact SG-SG 2.02Å; C27-C34 PolarHBondContact SG-SG 3.36Å
28P89Confident75.3Confident57 Ų5790 Ų9037%0.3751%0.506SS..  trans-73.51.1-174.329.2-38.4000114.2Q26 C34 R50Q26-P28 WeakPolarHBondContact O-CD 3.41Å; Q26-P28 VanDerWaalsContact O-N 3.15Å; P28-C34 VanDerWaalsContact CD-SG 3.54Å; P28-R50 HydrophobicContact CB-CG 4.47Å; P28-R50 WeakPolarHBondContact O-CB 3.42Å; P28-R50 WeakPolarHBondContact O-CD 3.35Å
29C91.7Very high76.7Confident19 Ų1990.2 Ų90.213%0.12851%0.507CS..  trans-81.5134.8-176.7-40.70000111.1C27 C34 C40 R50C27-C29 PolarHBondContact O-N 3.17Å; C27-C29 VanDerWaalsContact O-N 3.09Å; C27-C29 PolarHBondContact SG-SG 3.07Å; C29-C34 PolarHBondContact SG-SG 3.43Å; C29-C40 WeakPolarHBondContact CA-SG 3.46Å; C29-C40 HydrophobicContact CB-CB 3.9Å; C29-C40 WeakPolarHBondContact CB-SG 3.36Å; C29-C40 WeakPolarHBondContact SG-CA 3.24Å; C29-C40 WeakPolarHBondContact SG-CB 3.1Å; C29-C40 CovalentContact SG-SG 2.01Å; C29-C40 PolarHBondContact SG-SG 2.9Å; C29-R50 CarbonylContact C-O 3.51Å; C29-R50 WeakPolarHBondContact CA-O 3.11Å
30T93Very high78.4Confident80 Ų8087.4 Ų87.449%0.49149%0.491SS..SBendtrans-82.8-36.8174.655.30000112.2R50 C51 Q52T30-R50 PolarHBondContact N-O 3.08Å; T30-R50 PolarHBondContact OG1-O 3.17Å; T30-R50 VanDerWaalsContact OG1-O 3.13Å; T30-C51 PolarHBondContact OG1-O 3.18Å; T30-Q52 HydrophobicContact CG2-CB 4.36Å; T30-Q52 VanDerWaalsContact OG1-CA 3.23Å; T30-Q52 WeakPolarHBondContact OG1-CA 3Å; T30-Q52 PolarHBondContact OG1-N 2.88Å
31H93.1Very high80.3Confident68 Ų6890.4 Ų90.432%0.31550%0.499SS..SBendtrans-138.574-177.2-55.1105000111.1C42 D43 W46 C51H31-C42 WeakPolarHBondContact O-CA 3.3Å; H31-D43 PolarHBondContact O-N 3.19Å; H31-W46 HydrophobicContact CB-CB 4.09Å; H31-W46 HydrophobicContact CB-CD2 3.59Å; H31-W46 HydrophobicContact CB-CE3 4.2Å; H31-W46 HydrophobicContact CB-CG 3.49Å; H31-W46 VanDerWaalsContact CB-CG 3.49Å; H31-W46 AromaticContact CD2-CE2 3.75Å; H31-W46 AromaticContact CD2-CZ2 3.76Å; H31-W46 AromaticContact CE1-CE2 3.9Å; H31-W46 AromaticContact CE1-CE3 3.8Å; H31-W46 AromaticContact CE1-CH2 3.16Å; H31-W46 WeakPolarHBondContact CE1-CH2 3.06Å; H31-W46 AromaticContact CE1-CZ2 3.45Å; H31-W46 VanDerWaalsContact CE1-CZ2 3.45Å; H31-W46 WeakPolarHBondContact CE1-CZ2 3.48Å; H31-W46 AromaticContact CE1-CZ3 3.34Å; H31-W46 WeakPolarHBondContact CE1-CZ3 2.9Å; H31-W46 AromaticContact CG-CD2 3.48Å; H31-W46 VanDerWaalsContact CG-CD2 3.48Å; H31-W46 AromaticContact CG-CE2 3.43Å; H31-W46 VanDerWaalsContact CG-CE2 3.43Å; H31-W46 AromaticContact CG-CE3 3.82Å; H31-W46 AromaticContact CG-CG 3.96Å; H31-W46 AromaticContact CG-CZ2 3.78Å; H31-W46 AromaticContact CG-NE1 3.81Å; H31-W46 AromaticContact ND1-CD2 3.37Å; H31-W46 AromaticContact ND1-CE2 3.54Å; H31-W46 AromaticContact ND1-CE3 3.17Å; H31-W46 AromaticContact ND1-CH2 3.45Å; H31-W46 WeakPolarHBondContact ND1-CH2 3.04Å; H31-W46 AromaticContact ND1-CZ2 3.6Å; H31-W46 AromaticContact ND1-CZ3 3.22Å; H31-W46 WeakPolarHBondContact ND1-CZ3 3.47Å; H31-W46 AromaticContact NE2-CH2 3.7Å; H31-W46 AromaticContact NE2-CZ2 3.56Å; H31-C51 HydrophobicContact CB-CB 4.23Å; H31-C51 PolarHBondContact ND1-O 3.01Å; H31-C51 VanDerWaalsContact ND1-O 3.1Å; H31-C51 WeakPolarHBondContact O-CB 3.44Å
32G91.9Very high82.4Confident22 Ų2286.2 Ų86.223%0.22748%0.484CS..EExtended strand (participates in β ladder)trans166.9-168.5179.900000113.7F41 D43G32-F41 CarbonylContact C-O 3.55Å; G32-F41 WeakPolarHBondContact CA-O 3.46Å; G32-D43 PolarHBondContact N-OD2 2.88Å
33K92.7Very high84.4Confident156 Ų15684.5 Ų84.568%0.67847%0.47SS*.EExtended strand (participates in β ladder)trans-116.6143.2-178.4-61.1179.3-175176.50110.9F41K33-F41 PolarHBondContact N-O 3.48Å; K33-F41 PolarHBondContact O-N 2.01Å
34C89.8Confident86.4Confident41 Ų4185.4 Ų85.428%0.27747%0.47SS..EExtended strand (participates in β ladder)trans-86.8141.1174.7-75.30000112.2C27 P28 C29 T39C27-C34 WeakPolarHBondContact CA-SG 3.14Å; C27-C34 HydrophobicContact CB-CB 3.85Å; C27-C34 WeakPolarHBondContact CB-SG 3.48Å; C27-C34 WeakPolarHBondContact SG-CB 3.3Å; C27-C34 PolarHBondContact SG-N 3.02Å; C27-C34 VanDerWaalsContact SG-N 3.43Å; C27-C34 CovalentContact SG-SG 2.02Å; C27-C34 PolarHBondContact SG-SG 3.36Å; P28-C34 VanDerWaalsContact CD-SG 3.54Å; C29-C34 PolarHBondContact SG-SG 3.43Å; C34-T39 WeakPolarHBondContact CA-O 3.33Å
35S88.1Confident88.5Confident32 Ų3279.1 Ų79.122%0.22444%0.437CS..  trans-73.1168.3157.877.90000110.9N37 N38 T39S35-N37 PolarHBondContact O-N 2.82Å; S35-N37 PolarHBondContact OG-N 3.24Å; S35-N37 VanDerWaalsContact OG-N 3.14Å; S35-N38 PolarHBondContact O-N 2.02Å; S35-T39 PolarHBondContact N-O 3.09Å; S35-T39 WeakPolarHBondContact OG-CB 3.43Å; S35-T39 PolarHBondContact OG-N 3.43Å
36F83.3Confident90.2Very high213 Ų21379.3 Ų79.393%0.93442%0.424SS*.THydrogen-bonded Turntrans-55.8-21.7170-70-78.2000113.6
37N84.8Confident91Very high140 Ų14071.6 Ų71.675%0.74939%0.389SS*.THydrogen-bonded Turntrans-95.616.7178.7-67.4-0.1000113S35 T39S35-N37 PolarHBondContact O-N 2.82Å; S35-N37 PolarHBondContact OG-N 3.24Å; S35-N37 VanDerWaalsContact OG-N 3.14Å; N37-T39 PolarHBondContact O-N 3.37Å
38N83Confident91.4Very high96 Ų9669.9 Ų69.951%0.51338%0.381SS..SBendtrans59.421.3-175.5-62.9-33.3000114.7S35S35-N38 PolarHBondContact O-N 2.02Å
39T89.7Confident91.4Very high80 Ų8075.3 Ų75.349%0.49140%0.399SS..  trans-81.6130.9171.3-52.40000109.4C34 S35 N37C34-T39 WeakPolarHBondContact CA-O 3.33Å; S35-T39 PolarHBondContact N-O 3.09Å; S35-T39 WeakPolarHBondContact OG-CB 3.43Å; S35-T39 PolarHBondContact OG-N 3.43Å; N37-T39 PolarHBondContact O-N 3.37Å
40C93.2Very high91.4Very high19 Ų1980.9 Ų80.913%0.12842%0.417CS..EExtended strand (participates in β ladder)trans-82.5129178.5-650000112.8C29 K49 C51C29-C40 WeakPolarHBondContact CA-SG 3.46Å; C29-C40 HydrophobicContact CB-CB 3.9Å; C29-C40 WeakPolarHBondContact CB-SG 3.36Å; C29-C40 WeakPolarHBondContact SG-CA 3.24Å; C29-C40 WeakPolarHBondContact SG-CB 3.1Å; C29-C40 CovalentContact SG-SG 2.01Å; C29-C40 PolarHBondContact SG-SG 2.9Å; C40-K49 PolarHBondContact SG-O 2.82Å; C40-C51 VanDerWaalsContact CB-SG 3.56Å
41F93.7Very high91.4Very high135 Ų13577 Ų7759%0.59239%0.394SS*.EExtended strand (participates in β ladder)trans-100.6110.4162-60.4-74.8000108.4G32 K33G32-F41 CarbonylContact C-O 3.55Å; G32-F41 WeakPolarHBondContact CA-O 3.46Å; K33-F41 PolarHBondContact N-O 3.48Å; K33-F41 PolarHBondContact O-N 2.01Å
42C94.9Very high91.4Very high47 Ų4776.3 Ų76.332%0.31839%0.39SS..EExtended strand (participates in β ladder)trans-76.9144.6-173.2-54.60000112.5H31 W46 C51H31-C42 WeakPolarHBondContact O-CA 3.3Å; C42-W46 HydrophobicContact CB-CB 4.07Å; C42-W46 WeakPolarHBondContact CB-O 3.18Å; C42-C51 WeakPolarHBondContact CA-SG 3.42Å; C42-C51 HydrophobicContact CB-CB 3.68Å; C42-C51 WeakPolarHBondContact CB-SG 2.98Å; C42-C51 WeakPolarHBondContact SG-CA 3.02Å; C42-C51 WeakPolarHBondContact SG-CB 3.45Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 3.13Å
43D95.3Very high91.5Very high72 Ų7276.1 Ų76.139%0.38538%0.383SS..PPolyproline II helixtrans-64.4157169.1-64.9-37.9000110.4H31 G32 G45 W46H31-D43 PolarHBondContact O-N 3.19Å; G32-D43 PolarHBondContact N-OD2 2.88Å; D43-G45 PolarHBondContact O-N 3.46Å; D43-W46 PolarHBondContact O-N 3.07Å; D43-W46 VanDerWaalsContact O-N 3.07Å
44P94.1Very high91.6Very high100 Ų10069.6 Ų69.665%0.64936%0.357SS*.THydrogen-bonded Turntrans-52138.1174.7-2634.9000111.8
45G96Very high91.9Very high1 Ų167.7 Ų67.71%0.0134%0.344CS..THydrogen-bonded Turntrans86.3-3.8-17500000115.1D43 P54 C55 M93 T98D43-G45 PolarHBondContact O-N 3.46Å; G45-P54 CarbonylContact O-C 3.59Å; G45-P54 WeakPolarHBondContact O-CA 3.43Å; G45-C55 VanDerWaalsContact O-CB 3.31Å; G45-C55 WeakPolarHBondContact O-CB 2.99Å; G45-C55 PolarHBondContact O-N 3.07Å; G45-M93 VanDerWaalsContact CA-O 3.3Å; G45-M93 WeakPolarHBondContact CA-O 3.46Å; G45-M93 PolarHBondContact N-O 3.41Å; G45-T98 PolarHBondContact O-OG1 2.92Å
46W96.2Very high92.2Very high48 Ų4867.2 Ų67.218%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-120.3151.5-178.9-63.792.8000113.6H31 C42 D43 C51 R53 P54 T98H31-W46 HydrophobicContact CB-CB 4.09Å; H31-W46 HydrophobicContact CB-CD2 3.59Å; H31-W46 HydrophobicContact CB-CE3 4.2Å; H31-W46 HydrophobicContact CB-CG 3.49Å; H31-W46 VanDerWaalsContact CB-CG 3.49Å; H31-W46 AromaticContact CD2-CE2 3.75Å; H31-W46 AromaticContact CD2-CZ2 3.76Å; H31-W46 AromaticContact CE1-CE2 3.9Å; H31-W46 AromaticContact CE1-CE3 3.8Å; H31-W46 AromaticContact CE1-CH2 3.16Å; H31-W46 WeakPolarHBondContact CE1-CH2 3.06Å; H31-W46 AromaticContact CE1-CZ2 3.45Å; H31-W46 VanDerWaalsContact CE1-CZ2 3.45Å; H31-W46 WeakPolarHBondContact CE1-CZ2 3.48Å; H31-W46 AromaticContact CE1-CZ3 3.34Å; H31-W46 WeakPolarHBondContact CE1-CZ3 2.9Å; H31-W46 AromaticContact CG-CD2 3.48Å; H31-W46 VanDerWaalsContact CG-CD2 3.48Å; H31-W46 AromaticContact CG-CE2 3.43Å; H31-W46 VanDerWaalsContact CG-CE2 3.43Å; H31-W46 AromaticContact CG-CE3 3.82Å; H31-W46 AromaticContact CG-CG 3.96Å; H31-W46 AromaticContact CG-CZ2 3.78Å; H31-W46 AromaticContact CG-NE1 3.81Å; H31-W46 AromaticContact ND1-CD2 3.37Å; H31-W46 AromaticContact ND1-CE2 3.54Å; H31-W46 AromaticContact ND1-CE3 3.17Å; H31-W46 AromaticContact ND1-CH2 3.45Å; H31-W46 WeakPolarHBondContact ND1-CH2 3.04Å; H31-W46 AromaticContact ND1-CZ2 3.6Å; H31-W46 AromaticContact ND1-CZ3 3.22Å; H31-W46 WeakPolarHBondContact ND1-CZ3 3.47Å; H31-W46 AromaticContact NE2-CH2 3.7Å; H31-W46 AromaticContact NE2-CZ2 3.56Å; C42-W46 HydrophobicContact CB-CB 4.07Å; C42-W46 WeakPolarHBondContact CB-O 3.18Å; D43-W46 PolarHBondContact O-N 3.07Å; D43-W46 VanDerWaalsContact O-N 3.07Å; W46-C51 HydrophobicContact CB-CB 4.32Å; W46-C51 VanDerWaalsContact CE3-O 3.31Å; W46-R53 CarbonylContact C-O 3.59Å; W46-R53 WeakPolarHBondContact CA-O 3.4Å; W46-R53 VanDerWaalsContact CE3-O 3.32Å; W46-P54 HydrophobicContact CH2-CG 4.33Å; W46-P54 HydrophobicContact CZ3-CG 4Å; W46-T98 HydrophobicContact CZ2-CG2 4.31Å
47V94.8Very high92.7Very high19 Ų1959.3 Ų59.312%0.11531%0.306CS..EExtended strand (participates in β ladder)trans-150.4166.3-17972.90000111.7C51 R53 P86 C92V47-C51 CarbonylContact O-C 3.47Å; V47-R53 HydrophobicContact CG1-CB 4.08Å; V47-R53 PolarHBondContact N-O 3.2Å; V47-R53 PolarHBondContact O-N 3.2Å; V47-R53 VanDerWaalsContact O-N 3.12Å; V47-P86 HydrophobicContact CG1-CG 4.23Å; V47-P86 HydrophobicContact CG2-CB 4.03Å; V47-C92 HydrophobicContact CB-CB 4.19Å; V47-C92 HydrophobicContact CG2-CB 4.29Å
48G91.7Very high93.1Very high22 Ų2253 Ų5323%0.22727%0.272CS..SBendtrans106.4166.7179.700000112.3R50 C51G48-R50 PolarHBondContact O-N 2.56Å; G48-R50 VanDerWaalsContact O-N 3.14Å; G48-C51 PolarHBondContact O-N 2.87Å; G48-C51 VanDerWaalsContact O-N 3.13Å
49K89Confident93.5Very high171 Ų17148.9 Ų48.974%0.74325%0.249SC*.THydrogen-bonded Turntrans-60.1-27.5-174.7-65.5-174.8179.4179.40113.6C40C40-K49 PolarHBondContact SG-O 2.82Å
50R91.3Very high93.5Very high136 Ų13651.5 Ų51.551%0.51325%0.254SS..THydrogen-bonded Turntrans-118.814.8178.3-64.8-173-69.2174.5-0.4112.5P28 C29 T30 G48 Q52P28-R50 HydrophobicContact CB-CG 4.47Å; P28-R50 WeakPolarHBondContact O-CB 3.42Å; P28-R50 WeakPolarHBondContact O-CD 3.35Å; C29-R50 CarbonylContact C-O 3.51Å; C29-R50 WeakPolarHBondContact CA-O 3.11Å; T30-R50 PolarHBondContact N-O 3.08Å; T30-R50 PolarHBondContact OG1-O 3.17Å; T30-R50 VanDerWaalsContact OG1-O 3.13Å; G48-R50 PolarHBondContact O-N 2.56Å; G48-R50 VanDerWaalsContact O-N 3.14Å; R50-Q52 VanDerWaalsContact C-OE1 3.23Å; R50-Q52 VanDerWaalsContact CA-OE1 3.26Å; R50-Q52 PolarHBondContact O-N 3.34Å
51C93.9Very high93.4Very high0 Ų050.8 Ų50.80%025%0.249CC..SBendtrans55.531.1-176.2-47.90000114.1T30 H31 C40 C42 W46 V47 G48T30-C51 PolarHBondContact OG1-O 3.18Å; H31-C51 HydrophobicContact CB-CB 4.23Å; H31-C51 PolarHBondContact ND1-O 3.01Å; H31-C51 VanDerWaalsContact ND1-O 3.1Å; H31-C51 WeakPolarHBondContact O-CB 3.44Å; C40-C51 VanDerWaalsContact CB-SG 3.56Å; C42-C51 WeakPolarHBondContact CA-SG 3.42Å; C42-C51 HydrophobicContact CB-CB 3.68Å; C42-C51 WeakPolarHBondContact CB-SG 2.98Å; C42-C51 WeakPolarHBondContact SG-CA 3.02Å; C42-C51 WeakPolarHBondContact SG-CB 3.45Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 3.13Å; W46-C51 HydrophobicContact CB-CB 4.32Å; W46-C51 VanDerWaalsContact CE3-O 3.31Å; V47-C51 CarbonylContact O-C 3.47Å; G48-C51 PolarHBondContact O-N 2.87Å; G48-C51 VanDerWaalsContact O-N 3.13Å
52Q91.9Very high93.4Very high52 Ų5244.4 Ų44.424%0.24322%0.221CC..  trans-85.3-11.6-173.973.6-80.717.800113.6T30 R50 E110T30-Q52 HydrophobicContact CG2-CB 4.36Å; T30-Q52 VanDerWaalsContact OG1-CA 3.23Å; T30-Q52 WeakPolarHBondContact OG1-CA 3Å; T30-Q52 PolarHBondContact OG1-N 2.88Å; R50-Q52 VanDerWaalsContact C-OE1 3.23Å; R50-Q52 VanDerWaalsContact CA-OE1 3.26Å; R50-Q52 PolarHBondContact O-N 3.34Å; Q52-E110 PolarHBondContact NE2-OE2 3.2Å
53R93.5Very high93.4Very high18 Ų1845 Ų457%0.06823%0.225CC..EExtended strand (participates in β ladder)trans-112.4140.3-178.3-70.6-168.3-72.6122.40111.7W46 V47 E83 E110W46-R53 CarbonylContact C-O 3.59Å; W46-R53 WeakPolarHBondContact CA-O 3.4Å; W46-R53 VanDerWaalsContact CE3-O 3.32Å; V47-R53 HydrophobicContact CG1-CB 4.08Å; V47-R53 PolarHBondContact N-O 3.2Å; V47-R53 PolarHBondContact O-N 3.2Å; V47-R53 VanDerWaalsContact O-N 3.12Å; R53-E83 PolarHBondContact NH1-O 2.03Å; R53-E83 VanDerWaalsContact NH1-O 3.1Å; R53-E83 PolarHBondContact NH2-O 3.01Å; R53-E110 WeakPolarHBondContact CD-OE1 3.08Å; R53-E110 HydrophobicContact CG-CG 4.28Å; R53-E110 WeakPolarHBondContact CG-OE1 3.33Å; R53-E110 IonicContact CZ-OE1 3.18Å; R53-E110 IonicContact NE-OE1 2.73Å; R53-E110 PolarHBondContact NE-OE1 3.45Å
54P95.4Very high93.3Very high20 Ų2048.7 Ų48.713%0.1323%0.234CC..EExtended strand (participates in β ladder)trans-58.8144.2163.2-22.534.2000110.9G45 W46 Q56 T98 V99G45-P54 CarbonylContact O-C 3.59Å; G45-P54 WeakPolarHBondContact O-CA 3.43Å; W46-P54 HydrophobicContact CH2-CG 4.33Å; W46-P54 HydrophobicContact CZ3-CG 4Å; P54-Q56 PolarHBondContact O-N 3.41Å; P54-T98 WeakPolarHBondContact CB-O 3.3Å; P54-T98 WeakPolarHBondContact CG-O 3.41Å; P54-V99 HydrophobicContact CB-CG2 3.94Å
55C95.9Very high93.3Very high0 Ų044.6 Ų44.60%021%0.206CC..SBendtrans-73.894.6177.1178.70000109.8G45 C92 M93 Y94G45-C55 VanDerWaalsContact O-CB 3.31Å; G45-C55 WeakPolarHBondContact O-CB 2.99Å; G45-C55 PolarHBondContact O-N 3.07Å; C55-C92 VanDerWaalsContact CA-SG 3.59Å; C55-C92 HydrophobicContact CB-CB 3.78Å; C55-C92 WeakPolarHBondContact CB-SG 3.36Å; C55-C92 WeakPolarHBondContact SG-CB 3.36Å; C55-C92 CovalentContact SG-SG 2Å; C55-C92 PolarHBondContact SG-SG 2.66Å; C55-M93 WeakPolarHBondContact CB-O 3.4Å; C55-M93 PolarHBondContact SG-O 2.91Å; C55-Y94 VanDerWaalsContact O-CD2 3.27Å; C55-Y94 WeakPolarHBondContact O-CD2 3.44Å
56Q95.2Very high93.2Very high23 Ų2349.1 Ų49.111%0.10723%0.225CC..  trans-149.5149.9178.360.4-179.9-25.500111.5P54 P86 Y94 V99 P104P54-Q56 PolarHBondContact O-N 3.41Å; Q56-P86 WeakPolarHBondContact O-CD 3.48Å; Q56-P86 WeakPolarHBondContact O-CG 3.27Å; Q56-Y94 HydrophobicContact CB-CE2 4.45Å; Q56-V99 HydrophobicContact CB-CG2 4.32Å; Q56-P104 HydrophobicContact CG-CB 4.04Å
57D94.3Very high93.2Very high47 Ų4755.2 Ų55.225%0.25125%0.253SS..  trans-77.5133.9173.6-72.1-13.3000110.5C62 C85 P86 V87 I88D57-C62 HydrophobicContact CB-CB 4.22Å; D57-C85 WeakPolarHBondContact OD1-CA 3.3Å; D57-P86 WeakPolarHBondContact OD1-CD 3.47Å; D57-V87 WeakPolarHBondContact OD1-CB 3.43Å; D57-V87 PolarHBondContact OD1-N 3.14Å; D57-I88 PolarHBondContact OD1-N 3.13Å; D57-I88 WeakPolarHBondContact OD2-CB 3.26Å; D57-I88 PolarHBondContact OD2-N 3.19Å
58V92.4Very high93.2Very high7 Ų759.2 Ų59.24%0.04227%0.27CS..  trans-88.7-40.4-174.8176.50000111.7N84 P104 P106 V149V58-N84 HydrophobicContact CB-CB 4.38Å; V58-N84 WeakPolarHBondContact CB-O 3.45Å; V58-N84 PolarHBondContact N-O 3.29Å; V58-P104 HydrophobicContact CB-CB 4.5Å; V58-P104 HydrophobicContact CB-CG 4.47Å; V58-P104 HydrophobicContact CG1-CG 4.48Å; V58-P104 HydrophobicContact CG2-CB 4.27Å; V58-P106 HydrophobicContact CG1-CB 3.93Å; V58-P106 HydrophobicContact CG1-CG 3.69Å; V58-V149 HydrophobicContact CG1-CG2 4.16Å
59Y91Very high93.4Very high9 Ų959.5 Ų59.54%0.03527%0.273CS..  trans-101.8136.1-173.1-71.9-105000111.3A61 C62 W65 F80 N84 V149 D153 P155Y59-A61 PolarHBondContact O-N 3.12Å; Y59-A61 VanDerWaalsContact O-N 3.08Å; Y59-C62 WeakPolarHBondContact O-CB 3.47Å; Y59-C62 PolarHBondContact O-N 3.25Å; Y59-C62 VanDerWaalsContact O-N 3.08Å; Y59-C62 PolarHBondContact O-SG 3.33Å; Y59-W65 AromaticContact CD1-CH2 3.56Å; Y59-W65 HydrophobicContact CD1-CH2 3.56Å; Y59-W65 HydrophobicContact CD1-CZ2 4.48Å; Y59-W65 HydrophobicContact CD1-CZ3 4.21Å; Y59-W65 HydrophobicContact CD2-CH2 4.16Å; Y59-W65 HydrophobicContact CD2-CZ3 4.06Å; Y59-W65 HydrophobicContact CE1-CH2 4.17Å; Y59-W65 AromaticContact CG-CH2 3.57Å; Y59-W65 HydrophobicContact CG-CH2 3.57Å; Y59-W65 AromaticContact CG-CZ3 3.73Å; Y59-W65 HydrophobicContact CG-CZ3 3.73Å; Y59-F80 AromaticContact CE2-CZ 4Å; Y59-F80 HydrophobicContact CE2-CZ 4Å; Y59-F80 AromaticContact CZ-CZ 3.91Å; Y59-N84 HydrophobicContact CD2-CB 3.84Å; Y59-N84 HydrophobicContact CE2-CB 3.88Å; Y59-N84 WeakPolarHBondContact CE2-OD1 3.4Å; Y59-V149 HydrophobicContact CD1-CB 4.37Å; Y59-V149 HydrophobicContact CD1-CG1 3.13Å; Y59-V149 HydrophobicContact CD2-CG1 4.19Å; Y59-V149 HydrophobicContact CE1-CG1 3.05Å; Y59-V149 HydrophobicContact CE2-CG1 4.12Å; Y59-V149 HydrophobicContact CG-CG1 3.73Å; Y59-D153 WeakPolarHBondContact CE1-O 3.5Å; Y59-D153 PolarHBondContact OH-O 2.8Å; Y59-P155 WeakPolarHBondContact OH-CD 3.12Å
60K89.3Confident93.7Very high136 Ų13654.5 Ų54.559%0.59125%0.249SC*.THydrogen-bonded Turntrans-60-20.1169.4-66.1177.7178.5171.90112.4C62 P63 E148K60-C62 VanDerWaalsContact C-N 3.35Å; K60-P63 WeakPolarHBondContact O-CD 3.38Å; K60-E148 IonicContact NZ-OE2 3.85Å; K60-E148 PolarHBondContact NZ-OE2 2.72Å
61A91.6Very high93.9Very high3 Ų348.8 Ų48.83%0.02523%0.23CC..THydrogen-bonded Turntrans-78.3-10177.800000114.7Y59 P63 Y64 W65 L151Y59-A61 PolarHBondContact O-N 3.12Å; Y59-A61 VanDerWaalsContact O-N 3.08Å; A61-P63 VanDerWaalsContact C-CD 3.46Å; A61-P63 VanDerWaalsContact C-N 3.31Å; A61-P63 VanDerWaalsContact O-N 3.17Å; A61-Y64 WeakPolarHBondContact O-CB 3.48Å; A61-Y64 PolarHBondContact O-N 3.01Å; A61-W65 HydrophobicContact CB-CD2 4.05Å; A61-W65 HydrophobicContact CB-CE3 4.43Å; A61-W65 HydrophobicContact CB-CH2 4.09Å; A61-W65 HydrophobicContact CB-CZ2 3.64Å; A61-W65 HydrophobicContact CB-CZ3 4.45Å; A61-W65 PolarHBondContact O-N 3.39Å; A61-L151 HydrophobicContact CB-CD2 4.42Å
62C93.9Very high94Very high1 Ų154.4 Ų54.41%0.00726%0.264CS..Hα-helixtrans-49.8-41.5-177.7-68.30000113.9D57 Y59 K60 Y64 W65 K66 C85 I88D57-C62 HydrophobicContact CB-CB 4.22Å; Y59-C62 WeakPolarHBondContact O-CB 3.47Å; Y59-C62 PolarHBondContact O-N 3.25Å; Y59-C62 VanDerWaalsContact O-N 3.08Å; Y59-C62 PolarHBondContact O-SG 3.33Å; K60-C62 VanDerWaalsContact C-N 3.35Å; C62-Y64 PolarHBondContact O-N 3.37Å; C62-W65 PolarHBondContact O-N 3.37Å; C62-K66 PolarHBondContact O-N 2.8Å; C62-C85 VanDerWaalsContact CA-SG 3.55Å; C62-C85 HydrophobicContact CB-CB 3.64Å; C62-C85 WeakPolarHBondContact CB-SG 3.22Å; C62-C85 VanDerWaalsContact SG-CA 3.6Å; C62-C85 WeakPolarHBondContact SG-CB 2.91Å; C62-C85 CovalentContact SG-SG 2.02Å; C62-C85 PolarHBondContact SG-SG 3.11Å; C62-I88 HydrophobicContact CB-CG2 3.81Å
63P94.5Very high94.1Very high60 Ų6059 Ų5939%0.3928%0.28SS..Hα-helixtrans-61.7-38.6174.3-2536.2000115.1K60 A61 K67 I88K60-P63 WeakPolarHBondContact O-CD 3.38Å; A61-P63 VanDerWaalsContact C-CD 3.46Å; A61-P63 VanDerWaalsContact C-N 3.31Å; A61-P63 VanDerWaalsContact O-N 3.17Å; P63-K67 WeakPolarHBondContact O-CG 3.5Å; P63-K67 PolarHBondContact O-N 3.38Å; P63-I88 VanDerWaalsContact CA-CD1 3.45Å; P63-I88 HydrophobicContact CB-CD1 3.98Å; P63-I88 HydrophobicContact CG-CD1 3.92Å
64Y93.5Very high94.1Very high150 Ų15058.5 Ų58.559%0.58828%0.278SS*.Hα-helixtrans-69-44.5177.3-64.5-82.8000110.7A61 C62 K66 K67 E68A61-Y64 WeakPolarHBondContact O-CB 3.48Å; A61-Y64 PolarHBondContact O-N 3.01Å; C62-Y64 PolarHBondContact O-N 3.37Å; Y64-K66 VanDerWaalsContact C-N 3.3Å; Y64-K66 PolarHBondContact O-N 2.9Å; Y64-K67 WeakPolarHBondContact O-CB 3.33Å; Y64-K67 PolarHBondContact O-N 3.36Å; Y64-K67 VanDerWaalsContact O-N 3.1Å; Y64-E68 PolarHBondContact O-N 3.06Å
65W93.3Very high94Very high14 Ų1462.9 Ų62.95%0.05330%0.295CS..Hα-helixtrans-63.7-33.5177.3-64.1-20.8000113.2Y59 A61 C62 E68 G69 R70 F80 F81Y59-W65 AromaticContact CD1-CH2 3.56Å; Y59-W65 HydrophobicContact CD1-CH2 3.56Å; Y59-W65 HydrophobicContact CD1-CZ2 4.48Å; Y59-W65 HydrophobicContact CD1-CZ3 4.21Å; Y59-W65 HydrophobicContact CD2-CH2 4.16Å; Y59-W65 HydrophobicContact CD2-CZ3 4.06Å; Y59-W65 HydrophobicContact CE1-CH2 4.17Å; Y59-W65 AromaticContact CG-CH2 3.57Å; Y59-W65 HydrophobicContact CG-CH2 3.57Å; Y59-W65 AromaticContact CG-CZ3 3.73Å; Y59-W65 HydrophobicContact CG-CZ3 3.73Å; A61-W65 HydrophobicContact CB-CD2 4.05Å; A61-W65 HydrophobicContact CB-CE3 4.43Å; A61-W65 HydrophobicContact CB-CH2 4.09Å; A61-W65 HydrophobicContact CB-CZ2 3.64Å; A61-W65 HydrophobicContact CB-CZ3 4.45Å; A61-W65 PolarHBondContact O-N 3.39Å; C62-W65 PolarHBondContact O-N 3.37Å; W65-E68 PolarHBondContact O-N 3.31Å; W65-G69 PolarHBondContact O-N 3.35Å; W65-R70 HydrophobicContact CB-CB 4.13Å; W65-R70 HydrophobicContact CB-CG 4.25Å; W65-R70 WeakPolarHBondContact O-CB 3.19Å; W65-R70 PolarHBondContact O-N 2.84Å; W65-F80 AromaticContact CH2-CE1 3.85Å; W65-F80 HydrophobicContact CH2-CE1 3.85Å; W65-F80 HydrophobicContact CH2-CZ 4.3Å; W65-F80 AromaticContact CZ3-CE1 3.93Å; W65-F80 HydrophobicContact CZ3-CE1 3.93Å; W65-F81 HydrophobicContact CB-CD1 4.02Å; W65-F81 HydrophobicContact CB-CE1 4.27Å; W65-F81 AromaticContact CD2-CD1 3.71Å; W65-F81 HydrophobicContact CD2-CD1 3.71Å; W65-F81 AromaticContact CD2-CE1 3.55Å; W65-F81 HydrophobicContact CD2-CE1 3.55Å; W65-F81 AromaticContact CE2-CE1 3.92Å; W65-F81 AromaticContact CE3-CD1 3.54Å; W65-F81 HydrophobicContact CE3-CD1 3.54Å; W65-F81 AromaticContact CE3-CE1 3.77Å; W65-F81 HydrophobicContact CE3-CE1 3.77Å; W65-F81 AromaticContact CG-CD1 3.93Å; W65-F81 HydrophobicContact CG-CD1 3.93Å; W65-F81 AromaticContact CG-CE1 3.78Å; W65-F81 HydrophobicContact CG-CE1 3.78Å; W65-F81 HydrophobicContact CZ2-CE1 4.46Å; W65-F81 HydrophobicContact CZ3-CD1 4.2Å; W65-F81 HydrophobicContact CZ3-CE1 4.31Å
66K95.6Very high93.8Very high96 Ų9673.6 Ų73.642%0.41734%0.336SS..Hα-helixtrans-62.2-46.5171.5-162.7-146.1-171.6107.80111.1C62 Y64 E68 G69 I88C62-K66 PolarHBondContact O-N 2.8Å; Y64-K66 VanDerWaalsContact C-N 3.3Å; Y64-K66 PolarHBondContact O-N 2.9Å; K66-E68 VanDerWaalsContact C-N 3.31Å; K66-E68 PolarHBondContact O-N 2.99Å; K66-G69 PolarHBondContact O-N 2.75Å; K66-I88 HydrophobicContact CB-CD1 4.14Å; K66-I88 HydrophobicContact CB-CG1 3.92Å; K66-I88 HydrophobicContact CD-CD1 4.22Å; K66-I88 HydrophobicContact CD-CG1 3.61Å; K66-I88 WeakPolarHBondContact CE-O 3.03Å; K66-I88 HydrophobicContact CG-CG1 3.91Å; K66-I88 PolarHBondContact NZ-O 3.37Å
67K96Very high93.7Very high175 Ų17581.3 Ų81.376%0.76137%0.365SS*.Hα-helixtrans-62.3-37178.7-71.3177.3-179.4-178.50112.5P63 Y64 G69P63-K67 WeakPolarHBondContact O-CG 3.5Å; P63-K67 PolarHBondContact O-N 3.38Å; Y64-K67 WeakPolarHBondContact O-CB 3.33Å; Y64-K67 PolarHBondContact O-N 3.36Å; Y64-K67 VanDerWaalsContact O-N 3.1Å; K67-G69 PolarHBondContact O-N 3.46Å
68E95.1Very high93.5Very high104 Ų10481.8 Ų81.849%0.48637%0.37SS..THydrogen-bonded Turntrans-75.43.9173.7-68.6177.6-169.800113.7Y64 W65 K66 R70 W73Y64-E68 PolarHBondContact O-N 3.06Å; W65-E68 PolarHBondContact O-N 3.31Å; K66-E68 VanDerWaalsContact C-N 3.31Å; K66-E68 PolarHBondContact O-N 2.99Å; E68-R70 HydrophobicContact CB-CG 4.02Å; E68-R70 PolarHBondContact O-N 3.18Å; E68-R70 IonicContact OE2-CZ 3.93Å; E68-R70 IonicContact OE2-NE 2.77Å; E68-R70 PolarHBondContact OE2-NE 3.01Å; E68-R70 IonicContact OE2-NH2 3.14Å; E68-R70 PolarHBondContact OE2-NH2 2.04Å; E68-W73 PolarHBondContact O-NE1 3.48Å; E68-W73 VanDerWaalsContact O-NE1 3.08Å
69G96Very high93.5Very high27 Ų2788 Ų8828%0.27839%0.393SS..THydrogen-bonded Turntrans70.614.1179.100000114.5W65 K66 K67 C71 V72 W73W65-G69 PolarHBondContact O-N 3.35Å; K66-G69 PolarHBondContact O-N 2.75Å; K67-G69 PolarHBondContact O-N 3.46Å; G69-C71 PolarHBondContact O-N 2.9Å; G69-V72 PolarHBondContact O-N 3.27Å; G69-W73 PolarHBondContact O-N 2.99Å; G69-W73 VanDerWaalsContact O-N 3.17Å
70R94.6Very high93.4Very high66 Ų6690.6 Ų90.625%0.24940%0.404CS..Hα-helixtrans-63.4-27.2-173.3-61-164.7-173.2-158.5-1.2113.1W65 E68 V72 W73 T74 F81W65-R70 HydrophobicContact CB-CB 4.13Å; W65-R70 HydrophobicContact CB-CG 4.25Å; W65-R70 WeakPolarHBondContact O-CB 3.19Å; W65-R70 PolarHBondContact O-N 2.84Å; E68-R70 HydrophobicContact CB-CG 4.02Å; E68-R70 PolarHBondContact O-N 3.18Å; E68-R70 IonicContact OE2-CZ 3.93Å; E68-R70 IonicContact OE2-NE 2.77Å; E68-R70 PolarHBondContact OE2-NE 3.01Å; E68-R70 IonicContact OE2-NH2 3.14Å; E68-R70 PolarHBondContact OE2-NH2 2.04Å; R70-V72 PolarHBondContact O-N 3.36Å; R70-W73 HydrophobicContact CG-CZ2 4.5Å; R70-T74 HydrophobicContact CB-CG2 3.96Å; R70-T74 HydrophobicContact CG-CG2 4.23Å; R70-T74 WeakPolarHBondContact O-CB 3.07Å; R70-T74 PolarHBondContact O-OG1 3.01Å; R70-F81 HydrophobicContact CB-CD1 3.85Å; R70-F81 HydrophobicContact CB-CD2 4.1Å; R70-F81 HydrophobicContact CB-CE1 4.06Å; R70-F81 HydrophobicContact CB-CE2 4.27Å; R70-F81 HydrophobicContact CB-CG 3.89Å; R70-F81 HydrophobicContact CB-CZ 4.27Å; R70-F81 HydrophobicContact CG-CE1 4.31Å; R70-F81 HydrophobicContact CG-CZ 4.39Å
71C95.2Very high93.6Very high17 Ų1784.9 Ų84.912%0.11538%0.38CS..Hα-helixtrans-59.5-26.1172.3-59.10000113G69 L82 C89G69-C71 PolarHBondContact O-N 2.9Å; C71-L82 HydrophobicContact CB-CD2 4.36Å; C71-L82 WeakPolarHBondContact O-CD2 3.22Å; C71-C89 HydrophobicContact CB-CB 3.68Å; C71-C89 WeakPolarHBondContact CB-SG 3.4Å; C71-C89 WeakPolarHBondContact SG-CA 3.49Å; C71-C89 WeakPolarHBondContact SG-CB 3.33Å; C71-C89 CovalentContact SG-SG 2.04Å; C71-C89 PolarHBondContact SG-SG 3.1Å
72V95.8Very high93.7Very high117 Ų11785.1 Ų85.171%0.70938%0.38SS*.Hα-helixtrans-105.2-63.1-172.4-176.40000111.4G69 R70 T74 K75G69-V72 PolarHBondContact O-N 3.27Å; R70-V72 PolarHBondContact O-N 3.36Å; V72-T74 PolarHBondContact O-N 3.24Å; V72-K75 VanDerWaalsContact O-CB 3.3Å; V72-K75 WeakPolarHBondContact O-CB 3.45Å; V72-K75 PolarHBondContact O-N 3.44Å
73W94.2Very high93.6Very high150 Ų15088.1 Ų88.157%0.56839%0.394SS*.Hα-helixtrans-73.3-29.5-168.472.5-101.4000112.8E68 G69 R70 K75 Y77E68-W73 PolarHBondContact O-NE1 3.48Å; E68-W73 VanDerWaalsContact O-NE1 3.08Å; G69-W73 PolarHBondContact O-N 2.99Å; G69-W73 VanDerWaalsContact O-N 3.17Å; R70-W73 HydrophobicContact CG-CZ2 4.5Å; W73-K75 VanDerWaalsContact C-N 3.31Å; W73-K75 PolarHBondContact O-N 3.35Å; W73-Y77 HydrophobicContact CE3-CE2 4.36Å; W73-Y77 HydrophobicContact CZ3-CD2 4.45Å; W73-Y77 HydrophobicContact CZ3-CE2 4.44Å
74T93.7Very high93.5Very high7 Ų785.5 Ų85.54%0.04338%0.377CS..G310 helixtrans-77.8-16.6179.774.90000113.3R70 V72 R76 Y77 T78 F81R70-T74 HydrophobicContact CB-CG2 3.96Å; R70-T74 HydrophobicContact CG-CG2 4.23Å; R70-T74 WeakPolarHBondContact O-CB 3.07Å; R70-T74 PolarHBondContact O-OG1 3.01Å; V72-T74 PolarHBondContact O-N 3.24Å; T74-R76 PolarHBondContact O-N 3.1Å; T74-Y77 PolarHBondContact O-N 3.25Å; T74-T78 PolarHBondContact O-N 2.77Å; T74-T78 VanDerWaalsContact O-O 3.13Å; T74-F81 HydrophobicContact CG2-CD2 4.08Å; T74-F81 HydrophobicContact CG2-CE2 3.82Å; T74-F81 WeakPolarHBondContact OG1-CD2 3.34Å
75K92.7Very high93.6Very high112 Ų11278.4 Ų78.449%0.48735%0.349SS..G310 helixtrans-53.7-29.9-175.2-176170.4-171.5157.90113.2V72 W73 Y77 T78 L82 E91V72-K75 VanDerWaalsContact O-CB 3.3Å; V72-K75 WeakPolarHBondContact O-CB 3.45Å; V72-K75 PolarHBondContact O-N 3.44Å; W73-K75 VanDerWaalsContact C-N 3.31Å; W73-K75 PolarHBondContact O-N 3.35Å; K75-Y77 VanDerWaalsContact C-N 3.32Å; K75-T78 WeakPolarHBondContact CA-O 3.23Å; K75-L82 HydrophobicContact CB-CD1 4.41Å; K75-L82 HydrophobicContact CD-CD1 3.73Å; K75-L82 HydrophobicContact CG-CD1 3.76Å; K75-E91 IonicContact NZ-OE1 3.65Å
76R92.9Very high93.7Very high224 Ų22477.8 Ų77.885%0.84535%0.347SS*.G310 helixtrans-70.4-26.3177.3-63.9-175.1-177.6-173.60.7113.6T74T74-R76 PolarHBondContact O-N 3.1Å
77Y92.1Very high93.8Very high185 Ų18575 Ų7573%0.72534%0.338SS*.THydrogen-bonded Turntrans-107.3-31.7-175-50.3-66.7000112.1W73 T74 K75W73-Y77 HydrophobicContact CE3-CE2 4.36Å; W73-Y77 HydrophobicContact CZ3-CD2 4.45Å; W73-Y77 HydrophobicContact CZ3-CE2 4.44Å; T74-Y77 PolarHBondContact O-N 3.25Å; K75-Y77 VanDerWaalsContact C-N 3.32Å
78T91.3Very high93.8Very high58 Ų5868.2 Ų68.236%0.35631%0.31SS..  trans-155.5146.4-177.2-177.10000111.8T74 K75 F80 F81T74-T78 PolarHBondContact O-N 2.77Å; T74-T78 VanDerWaalsContact O-O 3.13Å; K75-T78 WeakPolarHBondContact CA-O 3.23Å; T78-F80 HydrophobicContact CG2-CB 4.28Å; T78-F80 VanDerWaalsContact OG1-CB 3.24Å; T78-F80 WeakPolarHBondContact OG1-CB 3.16Å; T78-F80 PolarHBondContact OG1-N 3.37Å; T78-F81 HydrophobicContact CG2-CD2 4.22Å; T78-F81 HydrophobicContact CG2-CE2 4.1Å
79R90.6Very high93.9Very high136 Ų13664.1 Ų64.151%0.51329%0.292SS..SBendtrans-93.31.2169.8-65.2-171.467.7154.92.2113F81 L82 E83R79-F81 VanDerWaalsContact C-N 3.31Å; R79-F81 PolarHBondContact O-N 2.87Å; R79-L82 PolarHBondContact O-N 2.69Å; R79-E83 HydrophobicContact CB-CG 4.08Å; R79-E83 IonicContact NE-OE1 2.79Å; R79-E83 WeakPolarHBondContact O-CG 3.42Å; R79-E83 PolarHBondContact O-N 3.1Å
80F90.8Very high93.9Very high64 Ų6469.1 Ų69.128%0.28131%0.313SS..Hα-helixtrans-47.3-50-174.9174.6-93000113.1Y59 W65 T78 E83 N84Y59-F80 AromaticContact CE2-CZ 4Å; Y59-F80 HydrophobicContact CE2-CZ 4Å; Y59-F80 AromaticContact CZ-CZ 3.91Å; W65-F80 AromaticContact CH2-CE1 3.85Å; W65-F80 HydrophobicContact CH2-CE1 3.85Å; W65-F80 HydrophobicContact CH2-CZ 4.3Å; W65-F80 AromaticContact CZ3-CE1 3.93Å; W65-F80 HydrophobicContact CZ3-CE1 3.93Å; T78-F80 HydrophobicContact CG2-CB 4.28Å; T78-F80 VanDerWaalsContact OG1-CB 3.24Å; T78-F80 WeakPolarHBondContact OG1-CB 3.16Å; T78-F80 PolarHBondContact OG1-N 3.37Å; F80-E83 PolarHBondContact O-N 2.73Å; F80-N84 WeakPolarHBondContact CD2-ND2 3.31Å; F80-N84 WeakPolarHBondContact CE2-ND2 3.3Å; F80-N84 WeakPolarHBondContact O-CB 3.34Å; F80-N84 PolarHBondContact O-N 3.17Å; F80-N84 PolarHBondContact O-ND2 3.48Å
81F92.6Very high93.8Very high17 Ų1769.5 Ų69.58%0.07532%0.317CS..Hα-helixtrans-68.2-38.1-178.3-58.9-81.2000112.3W65 R70 T74 T78 R79 C85W65-F81 HydrophobicContact CB-CD1 4.02Å; W65-F81 HydrophobicContact CB-CE1 4.27Å; W65-F81 AromaticContact CD2-CD1 3.71Å; W65-F81 HydrophobicContact CD2-CD1 3.71Å; W65-F81 AromaticContact CD2-CE1 3.55Å; W65-F81 HydrophobicContact CD2-CE1 3.55Å; W65-F81 AromaticContact CE2-CE1 3.92Å; W65-F81 AromaticContact CE3-CD1 3.54Å; W65-F81 HydrophobicContact CE3-CD1 3.54Å; W65-F81 AromaticContact CE3-CE1 3.77Å; W65-F81 HydrophobicContact CE3-CE1 3.77Å; W65-F81 AromaticContact CG-CD1 3.93Å; W65-F81 HydrophobicContact CG-CD1 3.93Å; W65-F81 AromaticContact CG-CE1 3.78Å; W65-F81 HydrophobicContact CG-CE1 3.78Å; W65-F81 HydrophobicContact CZ2-CE1 4.46Å; W65-F81 HydrophobicContact CZ3-CD1 4.2Å; W65-F81 HydrophobicContact CZ3-CE1 4.31Å; R70-F81 HydrophobicContact CB-CD1 3.85Å; R70-F81 HydrophobicContact CB-CD2 4.1Å; R70-F81 HydrophobicContact CB-CE1 4.06Å; R70-F81 HydrophobicContact CB-CE2 4.27Å; R70-F81 HydrophobicContact CB-CG 3.89Å; R70-F81 HydrophobicContact CB-CZ 4.27Å; R70-F81 HydrophobicContact CG-CE1 4.31Å; R70-F81 HydrophobicContact CG-CZ 4.39Å; T74-F81 HydrophobicContact CG2-CD2 4.08Å; T74-F81 HydrophobicContact CG2-CE2 3.82Å; T74-F81 WeakPolarHBondContact OG1-CD2 3.34Å; T78-F81 HydrophobicContact CG2-CD2 4.22Å; T78-F81 HydrophobicContact CG2-CE2 4.1Å; R79-F81 VanDerWaalsContact C-N 3.31Å; R79-F81 PolarHBondContact O-N 2.87Å; F81-C85 WeakPolarHBondContact O-CA 3.33Å; F81-C85 WeakPolarHBondContact O-CB 3.45Å; F81-C85 PolarHBondContact O-N 3.31Å
82L93.6Very high93.8Very high7 Ų769.8 Ų69.84%0.03732%0.319CS..Hα-helixtrans-68.4-36.5177.4-58.2-178000111.9C71 K75 R79 P86 C89 E91C71-L82 HydrophobicContact CB-CD2 4.36Å; C71-L82 WeakPolarHBondContact O-CD2 3.22Å; K75-L82 HydrophobicContact CB-CD1 4.41Å; K75-L82 HydrophobicContact CD-CD1 3.73Å; K75-L82 HydrophobicContact CG-CD1 3.76Å; R79-L82 PolarHBondContact O-N 2.69Å; L82-P86 WeakPolarHBondContact O-CA 3.4Å; L82-P86 WeakPolarHBondContact O-CB 2.98Å; L82-C89 HydrophobicContact CD2-CB 3.8Å; L82-E91 HydrophobicContact CB-CG 4.05Å; L82-E91 HydrophobicContact CD2-CG 3.93Å; L82-E91 WeakPolarHBondContact CD2-OE1 3.16Å; L82-E91 HydrophobicContact CG-CG 4.47Å
83E92.1Very high93.8Very high64 Ų6471.2 Ų71.230%0.29932%0.32SS..Hα-helixtrans-78.6-33.7-177.1-70176173.600112.9R53 R79 F80 P107R53-E83 PolarHBondContact NH1-O 2.03Å; R53-E83 VanDerWaalsContact NH1-O 3.1Å; R53-E83 PolarHBondContact NH2-O 3.01Å; R79-E83 HydrophobicContact CB-CG 4.08Å; R79-E83 IonicContact NE-OE1 2.79Å; R79-E83 WeakPolarHBondContact O-CG 3.42Å; R79-E83 PolarHBondContact O-N 3.1Å; F80-E83 PolarHBondContact O-N 2.73Å; E83-P107 HydrophobicContact CB-CG 4.14Å; E83-P107 WeakPolarHBondContact O-CG 3.36Å
84N92.5Very high93.9Very high5 Ų570.2 Ų70.23%0.02732%0.317CS..Hα-helixtrans-97.6-19.7-177.7-70.6-81.3000114.1V58 Y59 F80 P107V58-N84 HydrophobicContact CB-CB 4.38Å; V58-N84 WeakPolarHBondContact CB-O 3.45Å; V58-N84 PolarHBondContact N-O 3.29Å; Y59-N84 HydrophobicContact CD2-CB 3.84Å; Y59-N84 HydrophobicContact CE2-CB 3.88Å; Y59-N84 WeakPolarHBondContact CE2-OD1 3.4Å; F80-N84 WeakPolarHBondContact CD2-ND2 3.31Å; F80-N84 WeakPolarHBondContact CE2-ND2 3.3Å; F80-N84 WeakPolarHBondContact O-CB 3.34Å; F80-N84 PolarHBondContact O-N 3.17Å; F80-N84 PolarHBondContact O-ND2 3.48Å; N84-P107 WeakPolarHBondContact OD1-CD 3.25Å
85C94.8Very high94Very high2 Ų270.9 Ų70.91%0.01432%0.32CS..SBendtrans-128.151.8178.6-57.10000111.5D57 C62 F81 V87 I88 C89D57-C85 WeakPolarHBondContact OD1-CA 3.3Å; C62-C85 VanDerWaalsContact CA-SG 3.55Å; C62-C85 HydrophobicContact CB-CB 3.64Å; C62-C85 WeakPolarHBondContact CB-SG 3.22Å; C62-C85 VanDerWaalsContact SG-CA 3.6Å; C62-C85 WeakPolarHBondContact SG-CB 2.91Å; C62-C85 CovalentContact SG-SG 2.02Å; C62-C85 PolarHBondContact SG-SG 3.11Å; F81-C85 WeakPolarHBondContact O-CA 3.33Å; F81-C85 WeakPolarHBondContact O-CB 3.45Å; F81-C85 PolarHBondContact O-N 3.31Å; C85-V87 VanDerWaalsContact C-N 3.33Å; C85-V87 PolarHBondContact O-N 3.12Å; C85-I88 HydrophobicContact CB-CG2 3.72Å; C85-C89 VanDerWaalsContact O-CB 3.26Å; C85-C89 WeakPolarHBondContact O-CB 3.45Å; C85-C89 PolarHBondContact O-N 3.27Å; C85-C89 PolarHBondContact O-SG 3.17Å; C85-C89 VanDerWaalsContact O-SG 3.36Å
86P96.4Very high94.1Very high0 Ų069.7 Ų69.70%032%0.324CS..THydrogen-bonded Turntrans-70.8-26.5-168.233.6-39.6000113.2V47 Q56 D57 L82 N90 E91 C92V47-P86 HydrophobicContact CG1-CG 4.23Å; V47-P86 HydrophobicContact CG2-CB 4.03Å; Q56-P86 WeakPolarHBondContact O-CD 3.48Å; Q56-P86 WeakPolarHBondContact O-CG 3.27Å; D57-P86 WeakPolarHBondContact OD1-CD 3.47Å; L82-P86 WeakPolarHBondContact O-CA 3.4Å; L82-P86 WeakPolarHBondContact O-CB 2.98Å; P86-N90 PolarHBondContact O-N 2Å; P86-E91 HydrophobicContact CB-CB 4.08Å; P86-E91 PolarHBondContact O-N 2.95Å; P86-C92 VanDerWaalsContact CB-SG 3.57Å; P86-C92 PolarHBondContact O-N 2.83Å
87V97.1Very high94.2Very high39 Ų3969.2 Ų69.224%0.23632%0.322CS..THydrogen-bonded Turntrans-71.6-54.7178.9179.40000108.9D57 C85 C89 N90 Y94D57-V87 WeakPolarHBondContact OD1-CB 3.43Å; D57-V87 PolarHBondContact OD1-N 3.14Å; C85-V87 VanDerWaalsContact C-N 3.33Å; C85-V87 PolarHBondContact O-N 3.12Å; V87-C89 VanDerWaalsContact C-N 3.29Å; V87-C89 PolarHBondContact O-N 2.72Å; V87-N90 PolarHBondContact O-N 3.06Å; V87-Y94 HydrophobicContact CG2-CD2 4.26Å
88I96.3Very high94.3Very high32 Ų3261.6 Ų61.616%0.16430%0.295CS..THydrogen-bonded Turntrans-70.9-26.5-175.3-160.2155000113.1D57 C62 P63 K66 C85D57-I88 PolarHBondContact OD1-N 3.13Å; D57-I88 WeakPolarHBondContact OD2-CB 3.26Å; D57-I88 PolarHBondContact OD2-N 3.19Å; C62-I88 HydrophobicContact CB-CG2 3.81Å; P63-I88 VanDerWaalsContact CA-CD1 3.45Å; P63-I88 HydrophobicContact CB-CD1 3.98Å; P63-I88 HydrophobicContact CG-CD1 3.92Å; K66-I88 HydrophobicContact CB-CD1 4.14Å; K66-I88 HydrophobicContact CB-CG1 3.92Å; K66-I88 HydrophobicContact CD-CD1 4.22Å; K66-I88 HydrophobicContact CD-CG1 3.61Å; K66-I88 WeakPolarHBondContact CE-O 3.03Å; K66-I88 HydrophobicContact CG-CG1 3.91Å; K66-I88 PolarHBondContact NZ-O 3.37Å; C85-I88 HydrophobicContact CB-CG2 3.72Å
89C96.7Very high94.3Very high17 Ų1760.4 Ų60.412%0.11529%0.287CS..THydrogen-bonded Turntrans-82.73.4172.4-65.30000113C71 L82 C85 V87 E91C71-C89 HydrophobicContact CB-CB 3.68Å; C71-C89 WeakPolarHBondContact CB-SG 3.4Å; C71-C89 WeakPolarHBondContact SG-CA 3.49Å; C71-C89 WeakPolarHBondContact SG-CB 3.33Å; C71-C89 CovalentContact SG-SG 2.04Å; C71-C89 PolarHBondContact SG-SG 3.1Å; L82-C89 HydrophobicContact CD2-CB 3.8Å; C85-C89 VanDerWaalsContact O-CB 3.26Å; C85-C89 WeakPolarHBondContact O-CB 3.45Å; C85-C89 PolarHBondContact O-N 3.27Å; C85-C89 PolarHBondContact O-SG 3.17Å; C85-C89 VanDerWaalsContact O-SG 3.36Å; V87-C89 VanDerWaalsContact C-N 3.29Å; V87-C89 PolarHBondContact O-N 2.72Å; C89-E91 VanDerWaalsContact C-N 3.27Å; C89-E91 HydrophobicContact CB-CG 4.3Å; C89-E91 PolarHBondContact O-N 2.82Å
90N95.2Very high94.3Very high132 Ų13256.1 Ų56.171%0.70628%0.277SS*.THydrogen-bonded Turntrans58.931.6180-54.8-31.4000114.1P86 V87P86-N90 PolarHBondContact O-N 2Å; V87-N90 PolarHBondContact O-N 3.06Å
91E94.1Very high94.2Very high75 Ų7558.3 Ų58.335%0.3530%0.298SS..SBendtrans-82.8-19.6175-66.5-79145.900111.8K75 L82 P86 C89K75-E91 IonicContact NZ-OE1 3.65Å; L82-E91 HydrophobicContact CB-CG 4.05Å; L82-E91 HydrophobicContact CD2-CG 3.93Å; L82-E91 WeakPolarHBondContact CD2-OE1 3.16Å; L82-E91 HydrophobicContact CG-CG 4.47Å; P86-E91 HydrophobicContact CB-CB 4.08Å; P86-E91 PolarHBondContact O-N 2.95Å; C89-E91 VanDerWaalsContact C-N 3.27Å; C89-E91 HydrophobicContact CB-CG 4.3Å; C89-E91 PolarHBondContact O-N 2.82Å
92C95.1Very high93.9Very high23 Ų2360.6 Ų60.616%0.15533%0.326CS..SBendtrans-155.9169.4173.259.40000111.2V47 C55 P86V47-C92 HydrophobicContact CB-CB 4.19Å; V47-C92 HydrophobicContact CG2-CB 4.29Å; C55-C92 VanDerWaalsContact CA-SG 3.59Å; C55-C92 HydrophobicContact CB-CB 3.78Å; C55-C92 WeakPolarHBondContact CB-SG 3.36Å; C55-C92 WeakPolarHBondContact SG-CB 3.36Å; C55-C92 CovalentContact SG-SG 2Å; C55-C92 PolarHBondContact SG-SG 2.66Å; P86-C92 VanDerWaalsContact CB-SG 3.57Å; P86-C92 PolarHBondContact O-N 2.83Å
93M95.4Very high93.8Very high146 Ų14663.1 Ų63.172%0.71934%0.339SS*.  trans-97.8127.3174.6-66.7-178.46800110.5G45 C55 D95G45-M93 VanDerWaalsContact CA-O 3.3Å; G45-M93 WeakPolarHBondContact CA-O 3.46Å; G45-M93 PolarHBondContact N-O 3.41Å; C55-M93 WeakPolarHBondContact CB-O 3.4Å; C55-M93 PolarHBondContact SG-O 2.91Å; M93-D95 PolarHBondContact O-N 3.11Å
94Y96.2Very high93.8Very high129 Ų12961.1 Ų61.151%0.50633%0.332SS..  trans-63.5130.5174.8178.7-98.3000110.7C55 Q56 V87 P96 V99C55-Y94 VanDerWaalsContact O-CD2 3.27Å; C55-Y94 WeakPolarHBondContact O-CD2 3.44Å; Q56-Y94 HydrophobicContact CB-CE2 4.45Å; V87-Y94 HydrophobicContact CG2-CD2 4.26Å; Y94-P96 HydrophobicContact CE1-CB 3.97Å; Y94-P96 HydrophobicContact CE1-CG 4.35Å; Y94-V99 HydrophobicContact CD2-CG2 4.47Å; Y94-V99 HydrophobicContact CE2-CG2 3.83Å
95D96.3Very high93.7Very high22 Ų2261.8 Ų61.812%0.11834%0.335CS..  trans-130.5111.8171.6-173.1-20.2000109.7M93 R97 T98M93-D95 PolarHBondContact O-N 3.11Å; D95-R97 PolarHBondContact O-N 2.86Å; D95-R97 VanDerWaalsContact O-N 3.08Å; D95-R97 VanDerWaalsContact OD1-CB 3.3Å; D95-R97 WeakPolarHBondContact OD1-CB 3.32Å; D95-R97 WeakPolarHBondContact OD1-CG 3.23Å; D95-R97 IonicContact OD1-CZ 3.82Å; D95-R97 PolarHBondContact OD1-N 2.79Å; D95-R97 IonicContact OD1-NE 2.71Å; D95-R97 PolarHBondContact OD1-NE 3.32Å; D95-R97 IonicContact OD1-NH2 3.39Å; D95-R97 IonicContact OD2-CZ 2.69Å; D95-R97 IonicContact OD2-NE 3.89Å; D95-R97 PolarHBondContact OD2-NE 2.93Å; D95-R97 IonicContact OD2-NH2 2.72Å; D95-R97 PolarHBondContact OD2-NH2 3.42Å; D95-T98 HydrophobicContact CB-CG2 4.03Å; D95-T98 PolarHBondContact O-N 2.93Å; D95-T98 PolarHBondContact O-OG1 2.87Å
96P94.5Very high93.5Very high86 Ų8661.7 Ų61.756%0.55834%0.335SS*.THydrogen-bonded Turntrans-61.6-20.3-177.726-34.7000113.6Y94 T98Y94-P96 HydrophobicContact CE1-CB 3.97Å; Y94-P96 HydrophobicContact CE1-CG 4.35Å; P96-T98 VanDerWaalsContact C-N 3.26Å; P96-T98 PolarHBondContact O-N 2.86Å
97R94.5Very high93.1Very high215 Ų21562.4 Ų62.481%0.81134%0.34SS*.THydrogen-bonded Turntrans-74.1-18.8178.7-58.4172.3-65176.74.2112.9D95D95-R97 PolarHBondContact O-N 2.86Å; D95-R97 VanDerWaalsContact O-N 3.08Å; D95-R97 VanDerWaalsContact OD1-CB 3.3Å; D95-R97 WeakPolarHBondContact OD1-CB 3.32Å; D95-R97 WeakPolarHBondContact OD1-CG 3.23Å; D95-R97 IonicContact OD1-CZ 3.82Å; D95-R97 PolarHBondContact OD1-N 2.79Å; D95-R97 IonicContact OD1-NE 2.71Å; D95-R97 PolarHBondContact OD1-NE 3.32Å; D95-R97 IonicContact OD1-NH2 3.39Å; D95-R97 IonicContact OD2-CZ 2.69Å; D95-R97 IonicContact OD2-NE 3.89Å; D95-R97 PolarHBondContact OD2-NE 2.93Å; D95-R97 IonicContact OD2-NH2 2.72Å; D95-R97 PolarHBondContact OD2-NH2 3.42Å
98T93.7Very high92.6Very high25 Ų2561.5 Ų61.515%0.15333%0.332CS..THydrogen-bonded Turntrans-95.7-15.8-178.765.70000112.9G45 W46 P54 D95 P96 P100G45-T98 PolarHBondContact O-OG1 2.92Å; W46-T98 HydrophobicContact CZ2-CG2 4.31Å; P54-T98 WeakPolarHBondContact CB-O 3.3Å; P54-T98 WeakPolarHBondContact CG-O 3.41Å; D95-T98 HydrophobicContact CB-CG2 4.03Å; D95-T98 PolarHBondContact O-N 2.93Å; D95-T98 PolarHBondContact O-OG1 2.87Å; P96-T98 VanDerWaalsContact C-N 3.26Å; P96-T98 PolarHBondContact O-N 2.86Å; T98-P100 WeakPolarHBondContact O-CD 3.36Å
99V92.8Very high92.3Very high32 Ų3260 Ų6019%0.19433%0.325CS..PPolyproline II helixtrans-90.7117.9-171175.80000110.1P54 Q56 Y94P54-V99 HydrophobicContact CB-CG2 3.94Å; Q56-V99 HydrophobicContact CB-CG2 4.32Å; Y94-V99 HydrophobicContact CD2-CG2 4.47Å; Y94-V99 HydrophobicContact CE2-CG2 3.83Å
100P89.3Confident91.9Very high47 Ų4761.2 Ų61.231%0.30533%0.328SS..PPolyproline II helixtrans-68.1152.9175.129.3-34.6000110.5T98T98-P100 WeakPolarHBondContact O-CD 3.36Å
101P88.4Confident91.5Very high109 Ų10958.5 Ų58.571%0.70831%0.314SS*.SBendtrans-59.9152.7175.127-34.3000111.8
102G87.8Confident91.3Very high66 Ų6655 Ų5568%0.6830%0.297SS*.SBendtrans96.5-166.5176.900000114.7
103L90.5Very high91.1Very high59 Ų5959.2 Ų59.231%0.30932%0.315SS..SBendtrans-73.6136.6-173.3-64.8174.6000111.7L146 E148 R269L103-L146 HydrophobicContact CB-CB 4.36Å; L103-L146 HydrophobicContact CB-CD1 4.39Å; L103-L146 HydrophobicContact CD1-CB 4.24Å; L103-L146 WeakPolarHBondContact O-CD1 3.43Å; L103-E148 HydrophobicContact CD1-CG 4.05Å; L103-E148 HydrophobicContact CD2-CG 4.07Å; L103-R269 PolarHBondContact O-NH1 3.1Å; L103-R269 PolarHBondContact O-NH2 3.13Å
104P91.7Very high91Very high22 Ų2254.5 Ų54.514%0.14330%0.295CS..PPolyproline II helixtrans-57.6139.8179.425.4-35.7000112.2Q56 V58 P106Q56-P104 HydrophobicContact CG-CB 4.04Å; V58-P104 HydrophobicContact CB-CB 4.5Å; V58-P104 HydrophobicContact CB-CG 4.47Å; V58-P104 HydrophobicContact CG1-CG 4.48Å; V58-P104 HydrophobicContact CG2-CB 4.27Å; P104-P106 VanDerWaalsContact O-CD 3.29Å; P104-P106 WeakPolarHBondContact O-CD 3.37Å
105L91.4Very high90.8Very high19 Ų1948.3 Ų48.310%0.09927%0.271CS..PPolyproline II helixtrans-78.2119.7174.9-163.454.5000110.2L109 E110 E113 I116 L146L105-L109 HydrophobicContact CD1-CB 3.76Å; L105-L109 HydrophobicContact CG-CB 4.41Å; L105-E110 HydrophobicContact CD2-CG 4.46Å; L105-E113 HydrophobicContact CD2-CB 3.85Å; L105-E113 HydrophobicContact CD2-CG 4Å; L105-I116 HydrophobicContact CD1-CD1 3.72Å; L105-L146 HydrophobicContact CD1-CD1 3.95Å; L105-L146 HydrophobicContact CD1-CD2 3.81Å; L105-L146 HydrophobicContact CD1-CG 4.38Å
106P89.8Confident90.7Very high1 Ų147.5 Ų47.51%0.00627%0.266CS..PPolyproline II helixtrans-62.2142.8169.1-18.630.3000111.3V58 P104 Y108 L109 P155V58-P106 HydrophobicContact CG1-CB 3.93Å; V58-P106 HydrophobicContact CG1-CG 3.69Å; P104-P106 VanDerWaalsContact O-CD 3.29Å; P104-P106 WeakPolarHBondContact O-CD 3.37Å; P106-Y108 HydrophobicContact CB-CD1 3.67Å; P106-Y108 HydrophobicContact CB-CE1 3.37Å; P106-Y108 HydrophobicContact CG-CE1 4.12Å; P106-Y108 PolarHBondContact O-N 2.88Å; P106-Y108 VanDerWaalsContact O-N 3.11Å; P106-L109 HydrophobicContact CG-CD1 4.08Å; P106-L109 PolarHBondContact O-N 3.42Å; P106-P155 HydrophobicContact CB-CG 4.47Å; P106-P155 HydrophobicContact CG-CG 3.59Å
107P88.9Confident90.7Very high15 Ų1543.5 Ų43.510%0.09724%0.241CC..G310 helixtrans-57.5-32.5-176.7-22.231.9000113.9E83 N84 L109 E110E83-P107 HydrophobicContact CB-CG 4.14Å; E83-P107 WeakPolarHBondContact O-CG 3.36Å; N84-P107 WeakPolarHBondContact OD1-CD 3.25Å; P107-L109 VanDerWaalsContact C-N 3.27Å; P107-L109 PolarHBondContact O-N 2.02Å; P107-E110 WeakPolarHBondContact CA-OE1 3Å; P107-E110 WeakPolarHBondContact O-CB 3.49Å; P107-E110 WeakPolarHBondContact O-CG 3.45Å; P107-E110 PolarHBondContact O-N 3.03Å
108Y86.5Confident90.8Very high20 Ų2035 Ų358%0.07821%0.21CC..G310 helixtrans-76.6-12.6179.476.1-89000113.1P106 P155 P183 R189P106-Y108 HydrophobicContact CB-CD1 3.67Å; P106-Y108 HydrophobicContact CB-CE1 3.37Å; P106-Y108 HydrophobicContact CG-CE1 4.12Å; P106-Y108 PolarHBondContact O-N 2.88Å; P106-Y108 VanDerWaalsContact O-N 3.11Å; Y108-P155 HydrophobicContact CE1-CG 4.32Å; Y108-P155 WeakPolarHBondContact OH-CD 3.19Å; Y108-P155 WeakPolarHBondContact OH-CG 3.43Å; Y108-P155 PolarHBondContact OH-O 2.72Å; Y108-P183 HydrophobicContact CD2-CG 4.37Å; Y108-P183 HydrophobicContact CG-CG 4.36Å; Y108-R189 PolarHBondContact O-NH1 2.97Å
109L90.4Very high91Very high1 Ų133.8 Ų33.81%0.00520%0.203CC..G310 helixtrans-96.3-1.6173.1-66.8-178.9000113.2L105 P106 P107 L111 L112 E113 L146 L157 V181L105-L109 HydrophobicContact CD1-CB 3.76Å; L105-L109 HydrophobicContact CG-CB 4.41Å; P106-L109 HydrophobicContact CG-CD1 4.08Å; P106-L109 PolarHBondContact O-N 3.42Å; P107-L109 VanDerWaalsContact C-N 3.27Å; P107-L109 PolarHBondContact O-N 2.02Å; L109-L111 PolarHBondContact O-N 2.99Å; L109-L111 VanDerWaalsContact O-N 3.17Å; L109-L112 HydrophobicContact CD2-CD1 4.34Å; L109-L112 WeakPolarHBondContact O-CA 3.34Å; L109-L112 PolarHBondContact O-N 3.06Å; L109-E113 PolarHBondContact O-N 3.23Å; L109-L146 HydrophobicContact CD1-CD2 3.69Å; L109-L157 HydrophobicContact CD1-CD2 3.99Å; L109-L157 HydrophobicContact CD1-CG 4.47Å; L109-V181 HydrophobicContact CD2-CB 4.45Å; L109-V181 HydrophobicContact CD2-CG2 4.44Å
110E88Confident91.2Very high41 Ų4138.8 Ų38.819%0.19222%0.218CC..G310 helixtrans-51.6-40.2179-72.9173.1-157.200113.2Q52 R53 L105 P107 L112 E113Q52-E110 PolarHBondContact NE2-OE2 3.2Å; R53-E110 WeakPolarHBondContact CD-OE1 3.08Å; R53-E110 HydrophobicContact CG-CG 4.28Å; R53-E110 WeakPolarHBondContact CG-OE1 3.33Å; R53-E110 IonicContact CZ-OE1 3.18Å; R53-E110 IonicContact NE-OE1 2.73Å; R53-E110 PolarHBondContact NE-OE1 3.45Å; L105-E110 HydrophobicContact CD2-CG 4.46Å; P107-E110 WeakPolarHBondContact CA-OE1 3Å; P107-E110 WeakPolarHBondContact O-CB 3.49Å; P107-E110 WeakPolarHBondContact O-CG 3.45Å; P107-E110 PolarHBondContact O-N 3.03Å; E110-L112 PolarHBondContact O-N 3.08Å; E110-E113 VanDerWaalsContact O-CB 3.3Å; E110-E113 WeakPolarHBondContact O-CB 3.43Å; E110-E113 PolarHBondContact O-N 3.38Å; E110-E113 VanDerWaalsContact O-N 3.11Å
111L86.1Confident91.6Very high76 Ų7638.4 Ų38.440%0.39821%0.211SC..G310 helixtrans-66-20179.6-63.1-179.1000113.5L109 R189 L209L109-L111 PolarHBondContact O-N 2.99Å; L109-L111 VanDerWaalsContact O-N 3.17Å; L111-R189 VanDerWaalsContact CD1-CZ 3.42Å; L111-L209 HydrophobicContact CB-CD2 4.04Å; L111-L209 HydrophobicContact CD1-CD2 4.11Å
112L90.6Very high91.9Very high1 Ų137 Ų371%0.00520%0.198CC..G310 helixtrans-100.10.8177.8-63.4-172.2000112.7L109 E110 P114 L115 I116 L157 L179 V181 L209 I214 W242L109-L112 HydrophobicContact CD2-CD1 4.34Å; L109-L112 WeakPolarHBondContact O-CA 3.34Å; L109-L112 PolarHBondContact O-N 3.06Å; E110-L112 PolarHBondContact O-N 3.08Å; L112-P114 VanDerWaalsContact C-N 3.28Å; L112-L115 HydrophobicContact CD2-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CA 3.36Å; L112-L115 VanDerWaalsContact O-CB 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 2.95Å; L112-I116 PolarHBondContact O-N 2.71Å; L112-L157 HydrophobicContact CB-CD1 4.11Å; L112-L157 HydrophobicContact CD1-CD1 3.78Å; L112-L179 HydrophobicContact CD1-CD2 3.95Å; L112-V181 HydrophobicContact CD1-CG2 3.38Å; L112-V181 HydrophobicContact CG-CG2 4.35Å; L112-L209 HydrophobicContact CD2-CD1 4.01Å; L112-L209 HydrophobicContact CD2-CD2 4.08Å; L112-I214 HydrophobicContact CD2-CD1 4.01Å; L112-W242 HydrophobicContact CD2-CH2 3.57Å; L112-W242 HydrophobicContact CD2-CZ2 3.79Å
113E90.9Very high92.3Very high112 Ų11234 Ų3452%0.52317%0.166SC..G310 helixtrans-48.4-45.7177.2-173.9-156.2-172.300112.7L105 L109 E110 L115 I116L105-E113 HydrophobicContact CD2-CB 3.85Å; L105-E113 HydrophobicContact CD2-CG 4Å; L109-E113 PolarHBondContact O-N 3.23Å; E110-E113 VanDerWaalsContact O-CB 3.3Å; E110-E113 WeakPolarHBondContact O-CB 3.43Å; E110-E113 PolarHBondContact O-N 3.38Å; E110-E113 VanDerWaalsContact O-N 3.11Å; E113-L115 PolarHBondContact O-N 2.92Å; E113-L115 VanDerWaalsContact O-N 3.15Å; E113-I116 PolarHBondContact O-N 2.75Å; E113-I116 VanDerWaalsContact O-N 3.08Å
114P92Very high92.4Very high46 Ų4635.2 Ų35.230%0.29918%0.177SC..G310 helixtrans-64.5-24.7-178.2-2134.6000113.5L112 W119 K265L112-P114 VanDerWaalsContact C-N 3.28Å; P114-W119 WeakPolarHBondContact O-CZ2 3.44Å; P114-K265 PolarHBondContact O-NZ 3.03Å
115L93Very high92.4Very high0 Ų040.9 Ų40.90%020%0.197CC..G310 helixtrans-78.6-24179-173.963.5000112.4L112 E113 W119 I144 L179 I214 W242 L247L112-L115 HydrophobicContact CD2-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CA 3.36Å; L112-L115 VanDerWaalsContact O-CB 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 2.95Å; E113-L115 PolarHBondContact O-N 2.92Å; E113-L115 VanDerWaalsContact O-N 3.15Å; L115-W119 PolarHBondContact O-NE1 2.89Å; L115-I144 HydrophobicContact CD1-CD1 3.71Å; L115-I144 HydrophobicContact CD2-CD1 4.11Å; L115-I144 HydrophobicContact CG-CD1 3.64Å; L115-I144 HydrophobicContact CG-CG2 4.45Å; L115-L179 HydrophobicContact CD2-CD2 4.21Å; L115-I214 HydrophobicContact CD2-CD1 4.17Å; L115-W242 HydrophobicContact CB-CD2 4.27Å; L115-W242 HydrophobicContact CD1-CB 4.46Å; L115-W242 HydrophobicContact CD1-CD2 4.18Å; L115-W242 HydrophobicContact CD1-CE3 4.02Å; L115-W242 HydrophobicContact CD1-CG 4.38Å; L115-W242 HydrophobicContact CD2-CE3 4.28Å; L115-W242 HydrophobicContact CD2-CH2 4.43Å; L115-W242 HydrophobicContact CD2-CZ3 4.14Å; L115-L247 HydrophobicContact CD1-CD1 3.64Å; L115-L247 HydrophobicContact CD1-CD2 4.06Å; L115-L247 HydrophobicContact CD1-CG 4.39Å
116I93.9Very high92.4Very high5 Ų542.1 Ų42.13%0.02621%0.206CC..  trans-71.9129.6-179.6-60.6170.3000109.6L105 L112 E113 I144 L146 L157 R269L105-I116 HydrophobicContact CD1-CD1 3.72Å; L112-I116 PolarHBondContact O-N 2.71Å; E113-I116 PolarHBondContact O-N 2.75Å; E113-I116 VanDerWaalsContact O-N 3.08Å; I116-I144 CarbonylContact C-O 3.59Å; I116-I144 WeakPolarHBondContact CA-O 3.47Å; I116-I144 WeakPolarHBondContact CG2-O 3.44Å; I116-L146 HydrophobicContact CD1-CD2 4.13Å; I116-L146 HydrophobicContact CD1-CG 4.11Å; I116-L157 HydrophobicContact CD1-CD2 3.91Å; I116-L157 HydrophobicContact CG1-CD1 4.11Å; I116-L157 HydrophobicContact CG1-CD2 4.04Å; I116-R269 HydrophobicContact CG2-CB 4.24Å
117G94.5Very high92.2Very high2 Ų247.1 Ų47.12%0.02123%0.23CC..EExtended strand (participates in β ladder)trans142.7-164.7-178.700000113.7I144 S267G117-I144 PolarHBondContact N-O 3.44Å; G117-I144 PolarHBondContact O-N 3.06Å; G117-S267 VanDerWaalsContact CA-O 3.3Å; G117-S267 WeakPolarHBondContact CA-O 3.47Å
118E97.1Very high92.1Very high36 Ų3646.5 Ų46.517%0.16823%0.226CC..EExtended strand (participates in β ladder)trans-105.7135174.3-173.4173.1129.900110.8T141 V142 R143 V266 S267E118-T141 HydrophobicContact CG-CG2 3.51Å; E118-V142 CarbonylContact C-O 3.51Å; E118-V142 WeakPolarHBondContact CA-O 3.15Å; E118-R143 HydrophobicContact CB-CG 4.31Å; E118-R143 HydrophobicContact CG-CG 4Å; E118-R143 IonicContact OE2-CZ 3.97Å; E118-R143 IonicContact OE2-NE 2.99Å; E118-R143 PolarHBondContact OE2-NE 2.84Å; E118-R143 IonicContact OE2-NH2 2.97Å; E118-R143 PolarHBondContact OE2-NH2 3.05Å; E118-V266 HydrophobicContact CB-CB 4.15Å; E118-V266 HydrophobicContact CG-CB 4.09Å; E118-V266 HydrophobicContact CG-CG2 4.42Å; E118-V266 PolarHBondContact O-N 3.08Å; E118-S267 WeakPolarHBondContact CB-OG 3.48Å; E118-S267 PolarHBondContact N-O 3.04Å; E118-S267 VanDerWaalsContact N-O 3.09Å; E118-S267 PolarHBondContact O-N 2.76Å
119W97.8Very high91.8Very high0 Ų046 Ų460%023%0.225CC..EExtended strand (participates in β ladder)trans-126.5136.5-176.8-60.196.1000109.4P114 L115 T141 V142 L247 Y263 V264 K265P114-W119 WeakPolarHBondContact O-CZ2 3.44Å; L115-W119 PolarHBondContact O-NE1 2.89Å; W119-T141 CarbonylContact O-C 3.48Å; W119-T141 WeakPolarHBondContact O-CA 3.37Å; W119-V142 HydrophobicContact CB-CB 4.26Å; W119-V142 PolarHBondContact N-O 2.84Å; W119-V142 PolarHBondContact O-N 2.78Å; W119-L247 HydrophobicContact CB-CD2 4.3Å; W119-L247 HydrophobicContact CD2-CB 3.68Å; W119-L247 HydrophobicContact CD2-CD2 4.02Å; W119-L247 HydrophobicContact CE3-CB 3.53Å; W119-L247 HydrophobicContact CG-CB 4.28Å; W119-L247 HydrophobicContact CG-CD2 3.81Å; W119-L247 HydrophobicContact CH2-CB 4.15Å; W119-L247 HydrophobicContact CZ2-CB 4.29Å; W119-L247 HydrophobicContact CZ3-CB 3.79Å; W119-Y263 HydrophobicContact CB-CD1 4.15Å; W119-Y263 HydrophobicContact CB-CG 4.26Å; W119-V264 WeakPolarHBondContact CA-O 3.32Å; W119-K265 HydrophobicContact CD2-CG 4.45Å; W119-K265 HydrophobicContact CE3-CB 3.83Å; W119-K265 HydrophobicContact CE3-CG 4.12Å; W119-K265 HydrophobicContact CH2-CB 4.05Å; W119-K265 HydrophobicContact CH2-CD 3.69Å; W119-K265 HydrophobicContact CH2-CG 3.95Å; W119-K265 HydrophobicContact CZ2-CD 4.02Å; W119-K265 HydrophobicContact CZ2-CG 4.27Å; W119-K265 HydrophobicContact CZ3-CB 3.5Å; W119-K265 HydrophobicContact CZ3-CD 4.07Å; W119-K265 HydrophobicContact CZ3-CG 3.86Å
120R97.5Very high91.4Very high137 Ų13746 Ų4652%0.51723%0.225SC..EExtended strand (participates in β ladder)trans-124.4133-178.2-174.8176.466.6131.31.3111.5K140 Y263 V264 V266R120-K140 CarbonylContact C-O 3.54Å; R120-K140 WeakPolarHBondContact CA-O 3.07Å; R120-Y263 CarbonylContact O-C 3.49Å; R120-Y263 VanDerWaalsContact O-CA 3.3Å; R120-Y263 WeakPolarHBondContact O-CA 3.39Å; R120-V264 PolarHBondContact N-O 2.94Å; R120-V264 PolarHBondContact O-N 3.25Å; R120-V266 HydrophobicContact CB-CG2 3.48Å; R120-V266 VanDerWaalsContact CB-CG2 3.48Å
121Y96.5Very high91.4Very high38 Ų3844.4 Ų44.415%0.14922%0.218CC..EExtended strand (participates in β ladder)trans-120.3140.4173.7174.3-119.4000109.6Y138 T139 K140 Q261 T262 Y263Y121-Y138 AromaticContact CD1-CE2 3.96Å; Y121-Y138 HydrophobicContact CD1-CE2 3.96Å; Y121-Y138 AromaticContact CE1-CE2 3.97Å; Y121-Y138 HydrophobicContact CE1-CE2 3.97Å; Y121-Y138 AromaticContact CE1-CZ 3.83Å; Y121-T139 CarbonylContact O-C 3.6Å; Y121-T139 WeakPolarHBondContact O-CA 3.44Å; Y121-K140 HydrophobicContact CD1-CB 4.4Å; Y121-K140 PolarHBondContact N-O 2.82Å; Y121-K140 PolarHBondContact O-N 3.32Å; Y121-Q261 HydrophobicContact CD1-CB 4.28Å; Y121-Q261 HydrophobicContact CD1-CG 4.25Å; Y121-Q261 HydrophobicContact CD2-CB 4.4Å; Y121-Q261 HydrophobicContact CE1-CB 4.13Å; Y121-Q261 HydrophobicContact CE1-CG 3.76Å; Y121-Q261 HydrophobicContact CE2-CB 4.27Å; Y121-Q261 HydrophobicContact CG-CB 4.41Å; Y121-T262 WeakPolarHBondContact CD2-O 3.33Å; Y121-Y263 HydrophobicContact CG-CE1 4.35Å
122D95.8Very high91.5Very high81 Ų8143 Ų4343%0.43321%0.21SC..EExtended strand (participates in β ladder)trans-127.6114.1177.5-176.3-48.3000107.6K166D122-K166 WeakPolarHBondContact OD1-CE 3.3Å; D122-K166 IonicContact OD1-NZ 3.92Å; D122-K166 PolarHBondContact OD1-NZ 3.34Å; D122-K166 WeakPolarHBondContact OD2-CE 3.29Å; D122-K166 IonicContact OD2-NZ 2.55Å; D122-K166 PolarHBondContact OD2-NZ 2.95Å
123S94.7Very high91.6Very high2 Ų243.1 Ų43.11%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-105.9134177.9-178.30000109.9Y125 G137 Y138S123-Y125 VanDerWaalsContact C-N 3.28Å; S123-Y125 PolarHBondContact OG-N 2.9Å; S123-Y125 PolarHBondContact OG-O 2.88Å; S123-G137 CarbonylContact O-C 3.51Å; S123-G137 WeakPolarHBondContact O-CA 3.16Å; S123-Y138 VanDerWaalsContact CB-CE1 3.5Å; S123-Y138 PolarHBondContact N-O 3.42Å; S123-Y138 PolarHBondContact O-N 2.92Å
124P93.6Very high91.5Very high85 Ų8545 Ų4555%0.55222%0.224SC*.SBendtrans-79.1-14.2166.133-33.2000112.4G137P124-G137 VanDerWaalsContact C-CA 3.49Å; P124-G137 WeakPolarHBondContact O-CA 3.44Å; P124-G137 PolarHBondContact O-N 2.59Å
125Y92.3Very high91.3Very high141 Ų14152.1 Ų52.155%0.55325%0.245SC*.SBendtrans-102.9151.2-176.2-54.7-67.4000111.8S123 M127 G136 Y138S123-Y125 VanDerWaalsContact C-N 3.28Å; S123-Y125 PolarHBondContact OG-N 2.9Å; S123-Y125 PolarHBondContact OG-O 2.88Å; Y125-M127 HydrophobicContact CD2-CE 4.41Å; Y125-M127 HydrophobicContact CG-CE 4.2Å; Y125-M127 PolarHBondContact O-N 2.83Å; Y125-G136 CarbonylContact C-O 3.57Å; Y125-Y138 VanDerWaalsContact O-CD1 3.27Å; Y125-Y138 WeakPolarHBondContact O-CD1 3.44Å; Y125-Y138 VanDerWaalsContact O-CE1 3.29Å; Y125-Y138 WeakPolarHBondContact O-CE1 3.48Å
126P90.5Very high91.2Very high45 Ų4553.4 Ų53.429%0.29226%0.258SS..  trans-73.9-7.7179.726.8-33000113.9H128 F133 G136P126-H128 PolarHBondContact O-N 2.9Å; P126-H128 VanDerWaalsContact O-N 3.07Å; P126-F133 HydrophobicContact CB-CB 4.12Å; P126-F133 WeakPolarHBondContact CB-O 3.26Å; P126-F133 PolarHBondContact O-N 2.78Å; P126-G136 WeakPolarHBondContact CA-O 3.5Å; P126-G136 VanDerWaalsContact CB-O 3.29Å; P126-G136 WeakPolarHBondContact CB-O 3.29Å; P126-G136 WeakPolarHBondContact CD-O 3.12Å
127M86.5Confident91.2Very high105 Ų10553.4 Ų53.452%0.51726%0.26SS..  trans-65.3108-172-65.7-176.3-67.200111.7Y125 N132 Y138Y125-M127 HydrophobicContact CD2-CE 4.41Å; Y125-M127 HydrophobicContact CG-CE 4.2Å; Y125-M127 PolarHBondContact O-N 2.83Å; M127-N132 VanDerWaalsContact CA-OD1 3.32Å; M127-N132 WeakPolarHBondContact CA-OD1 3.47Å; M127-Y138 WeakPolarHBondContact O-CE1 3.46Å; M127-Y138 PolarHBondContact O-OH 3.14Å
128H85.7Confident91.3Very high2 Ų253.3 Ų53.31%0.00926%0.259CS..  trans-141.4147.7-176.1179-98.4000109.8P126 V131 N132 F133 Y138 A163 H173 E175 Q231P126-H128 PolarHBondContact O-N 2.9Å; P126-H128 VanDerWaalsContact O-N 3.07Å; H128-V131 CarbonylContact C-O 3.6Å; H128-V131 WeakPolarHBondContact CB-O 3.25Å; H128-V131 PolarHBondContact ND1-O 2.9Å; H128-V131 VanDerWaalsContact ND1-O 3.13Å; H128-V131 CarbonylContact O-C 3.54Å; H128-V131 PolarHBondContact O-N 2.94Å; H128-V131 VanDerWaalsContact O-O 3.06Å; H128-N132 PolarHBondContact N-OD1 2.88Å; H128-N132 PolarHBondContact O-N 2.83Å; H128-F133 HydrophobicContact CB-CD2 3.73Å; H128-F133 HydrophobicContact CB-CE2 3.75Å; H128-F133 AromaticContact CG-CE2 3.69Å; H128-Y138 HydrophobicContact CB-CD1 4.4Å; H128-Y138 HydrophobicContact CB-CE1 3.84Å; H128-Y138 HydrophobicContact CB-CE2 4.43Å; H128-Y138 AromaticContact CD2-CE2 3.58Å; H128-Y138 AromaticContact CD2-CZ 3.73Å; H128-A163 WeakPolarHBondContact NE2-CB 3.3Å; H128-H173 AromaticContact CE1-CD2 3.85Å; H128-H173 AromaticContact CE1-CG 3.88Å; H128-H173 AromaticContact ND1-CD2 3.44Å; H128-H173 PolarHBondContact ND1-CD2 3.08Å; H128-H173 AromaticContact ND1-CG 3.88Å; H128-E175 IonicContact NE2-OE1 3.08Å; H128-Q231 VanDerWaalsContact O-CD 3.29Å; H128-Q231 PolarHBondContact O-NE2 3.49Å; H128-Q231 PolarHBondContact O-OE1 3.17Å
129F81Confident91.3Very high11 Ų1154 Ų545%0.04827%0.265CS..SBendtrans-102.4137.7178.1171.7-87.2000110.2M203 Q231 F233 L234F129-M203 HydrophobicContact CE1-CE 3.75Å; F129-M203 HydrophobicContact CZ-CE 3.74Å; F129-M203 HydrophobicContact CZ-SD 3.96Å; F129-Q231 HydrophobicContact CD2-CB 4.19Å; F129-Q231 HydrophobicContact CE2-CB 4.47Å; F129-F233 HydrophobicContact CD2-CB 3.93Å; F129-F233 HydrophobicContact CE2-CB 4.47Å; F129-L234 HydrophobicContact CD1-CD1 3.74Å; F129-L234 HydrophobicContact CD1-CG 4.14Å; F129-L234 HydrophobicContact CD2-CD1 4.4Å; F129-L234 HydrophobicContact CD2-CG 3.96Å; F129-L234 HydrophobicContact CE1-CD1 3.12Å; F129-L234 HydrophobicContact CE1-CG 3.74Å; F129-L234 HydrophobicContact CE2-CB 4.28Å; F129-L234 HydrophobicContact CE2-CD1 3.87Å; F129-L234 HydrophobicContact CE2-CG 3.51Å; F129-L234 HydrophobicContact CG-CD1 4.35Å; F129-L234 HydrophobicContact CG-CG 4.26Å; F129-L234 HydrophobicContact CZ-CB 4.2Å; F129-L234 HydrophobicContact CZ-CD1 3.19Å; F129-L234 HydrophobicContact CZ-CG 3.39Å
130P81.2Confident91.2Very high1 Ų154.1 Ų54.11%0.00627%0.266CS..SBendcis-90.60.7-1.834.1-34.2000113.9T197 S199 V201 E230 Q231P130-T197 HydrophobicContact CG-CG2 4.25Å; P130-S199 WeakPolarHBondContact CG-OG 3.47Å; P130-V201 HydrophobicContact CB-CG2 4Å; P130-V201 HydrophobicContact CG-CB 4.38Å; P130-V201 HydrophobicContact CG-CG2 3.91Å; P130-E230 PolarHBondContact O-N 3.34Å; P130-E230 VanDerWaalsContact O-N 3.1Å; P130-Q231 VanDerWaalsContact O-CB 3.23Å; P130-Q231 WeakPolarHBondContact O-CB 3.42Å; P130-Q231 WeakPolarHBondContact O-CG 3.15Å
131V87.4Confident91.2Very high7 Ų749.1 Ų49.14%0.04225%0.251CS..SBendtrans-130.8131.4-179.4-1750000107.7H128 R228H128-V131 CarbonylContact C-O 3.6Å; H128-V131 WeakPolarHBondContact CB-O 3.25Å; H128-V131 PolarHBondContact ND1-O 2.9Å; H128-V131 VanDerWaalsContact ND1-O 3.13Å; H128-V131 CarbonylContact O-C 3.54Å; H128-V131 PolarHBondContact O-N 2.94Å; H128-V131 VanDerWaalsContact O-O 3.06Å; V131-R228 HydrophobicContact CG2-CB 4.22Å; V131-R228 WeakPolarHBondContact CG2-O 3.47Å
132N89.4Confident91.2Very high45 Ų4547.3 Ų47.324%0.24124%0.244CC..  trans-70.4146.1173.9-65.6-55.3000110.1M127 H128 E230 Q231M127-N132 VanDerWaalsContact CA-OD1 3.32Å; M127-N132 WeakPolarHBondContact CA-OD1 3.47Å; H128-N132 PolarHBondContact N-OD1 2.88Å; H128-N132 PolarHBondContact O-N 2.83Å; N132-E230 PolarHBondContact ND2-OE2 3.2Å; N132-Q231 PolarHBondContact ND2-NE2 3.45Å; N132-Q231 PolarHBondContact OD1-NE2 2.84Å
133F92.3Very high91.3Very high5 Ų549.4 Ų49.42%0.02225%0.245CC..  trans-68.8147.5167.6-71.7-79.4000110.2P126 H128 R135 Y138 A163 D171 H173P126-F133 HydrophobicContact CB-CB 4.12Å; P126-F133 WeakPolarHBondContact CB-O 3.26Å; P126-F133 PolarHBondContact O-N 2.78Å; H128-F133 HydrophobicContact CB-CD2 3.73Å; H128-F133 HydrophobicContact CB-CE2 3.75Å; H128-F133 AromaticContact CG-CE2 3.69Å; F133-R135 VanDerWaalsContact C-N 3.35Å; F133-R135 PolarHBondContact O-N 3.24Å; F133-Y138 AromaticContact CD2-CD1 3.44Å; F133-Y138 HydrophobicContact CD2-CD1 3.44Å; F133-Y138 VanDerWaalsContact CD2-CD1 3.44Å; F133-Y138 HydrophobicContact CD2-CD2 4.36Å; F133-Y138 HydrophobicContact CD2-CE1 4.18Å; F133-Y138 AromaticContact CD2-CG 3.53Å; F133-Y138 HydrophobicContact CD2-CG 3.53Å; F133-Y138 AromaticContact CE2-CD1 3.63Å; F133-Y138 HydrophobicContact CE2-CD1 3.63Å; F133-Y138 AromaticContact CE2-CD2 3.69Å; F133-Y138 HydrophobicContact CE2-CD2 3.69Å; F133-Y138 HydrophobicContact CE2-CE1 4.33Å; F133-Y138 HydrophobicContact CE2-CE2 4.38Å; F133-Y138 AromaticContact CE2-CG 3.25Å; F133-Y138 HydrophobicContact CE2-CG 3.25Å; F133-Y138 HydrophobicContact CZ-CD2 4.48Å; F133-Y138 HydrophobicContact CZ-CG 4.17Å; F133-A163 HydrophobicContact CE2-CB 4.01Å; F133-A163 HydrophobicContact CZ-CB 3.73Å; F133-D171 HydrophobicContact CD1-CB 4.27Å; F133-D171 WeakPolarHBondContact CD1-OD2 3.49Å; F133-D171 HydrophobicContact CE1-CB 4.47Å; F133-D171 WeakPolarHBondContact CE1-O 3.49Å; F133-H173 AromaticContact CE1-CD2 3.47Å; F133-H173 VanDerWaalsContact CE1-CD2 3.47Å; F133-H173 WeakPolarHBondContact CE1-CD2 3.3Å; F133-H173 AromaticContact CE1-NE2 3.89Å; F133-H173 AromaticContact CE2-CD2 3.78Å; F133-H173 AromaticContact CZ-CD2 3.35Å; F133-H173 WeakPolarHBondContact CZ-CD2 3.42Å
134L88.4Confident91.4Very high150 Ų15049.5 Ų49.579%0.78525%0.246SC*.SBendtrans-60.1-43.5-176.5-70.7171.6000113
135R87.7Confident91.4Very high196 Ų19649.9 Ų49.974%0.7424%0.241SC*.SBendtrans-153.1152.8-177.7-65-172.5179.9-178.8-0.5111.6F133 L167F133-R135 VanDerWaalsContact C-N 3.35Å; F133-R135 PolarHBondContact O-N 3.24Å; R135-L167 HydrophobicContact CB-CD1 3.92Å
136G91Very high91.4Very high27 Ų2744.2 Ų44.228%0.27822%0.22SC..SBendtrans72.6-169174.500000113.3Y125 P126Y125-G136 CarbonylContact C-O 3.57Å; P126-G136 WeakPolarHBondContact CA-O 3.5Å; P126-G136 VanDerWaalsContact CB-O 3.29Å; P126-G136 WeakPolarHBondContact CB-O 3.29Å; P126-G136 WeakPolarHBondContact CD-O 3.12Å
137G94.6Very high91.3Very high6 Ų643 Ų436%0.06221%0.212CC..  trans-85.8179.917500000113.3S123 P124 K166S123-G137 CarbonylContact O-C 3.51Å; S123-G137 WeakPolarHBondContact O-CA 3.16Å; P124-G137 VanDerWaalsContact C-CA 3.49Å; P124-G137 WeakPolarHBondContact O-CA 3.44Å; P124-G137 PolarHBondContact O-N 2.59Å; G137-K166 WeakPolarHBondContact O-CB 3.48Å; G137-K166 PolarHBondContact O-N 3.08Å
138Y96.1Very high91.1Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-142161.3174.364.7-85.2000110.8Y121 S123 Y125 M127 H128 F133 K140 A163 R164 Q261Y121-Y138 AromaticContact CD1-CE2 3.96Å; Y121-Y138 HydrophobicContact CD1-CE2 3.96Å; Y121-Y138 AromaticContact CE1-CE2 3.97Å; Y121-Y138 HydrophobicContact CE1-CE2 3.97Å; Y121-Y138 AromaticContact CE1-CZ 3.83Å; S123-Y138 VanDerWaalsContact CB-CE1 3.5Å; S123-Y138 PolarHBondContact N-O 3.42Å; S123-Y138 PolarHBondContact O-N 2.92Å; Y125-Y138 VanDerWaalsContact O-CD1 3.27Å; Y125-Y138 WeakPolarHBondContact O-CD1 3.44Å; Y125-Y138 VanDerWaalsContact O-CE1 3.29Å; Y125-Y138 WeakPolarHBondContact O-CE1 3.48Å; M127-Y138 WeakPolarHBondContact O-CE1 3.46Å; M127-Y138 PolarHBondContact O-OH 3.14Å; H128-Y138 HydrophobicContact CB-CD1 4.4Å; H128-Y138 HydrophobicContact CB-CE1 3.84Å; H128-Y138 HydrophobicContact CB-CE2 4.43Å; H128-Y138 AromaticContact CD2-CE2 3.58Å; H128-Y138 AromaticContact CD2-CZ 3.73Å; F133-Y138 AromaticContact CD2-CD1 3.44Å; F133-Y138 HydrophobicContact CD2-CD1 3.44Å; F133-Y138 VanDerWaalsContact CD2-CD1 3.44Å; F133-Y138 HydrophobicContact CD2-CD2 4.36Å; F133-Y138 HydrophobicContact CD2-CE1 4.18Å; F133-Y138 AromaticContact CD2-CG 3.53Å; F133-Y138 HydrophobicContact CD2-CG 3.53Å; F133-Y138 AromaticContact CE2-CD1 3.63Å; F133-Y138 HydrophobicContact CE2-CD1 3.63Å; F133-Y138 AromaticContact CE2-CD2 3.69Å; F133-Y138 HydrophobicContact CE2-CD2 3.69Å; F133-Y138 HydrophobicContact CE2-CE1 4.33Å; F133-Y138 HydrophobicContact CE2-CE2 4.38Å; F133-Y138 AromaticContact CE2-CG 3.25Å; F133-Y138 HydrophobicContact CE2-CG 3.25Å; F133-Y138 HydrophobicContact CZ-CD2 4.48Å; F133-Y138 HydrophobicContact CZ-CG 4.17Å; Y138-K140 HydrophobicContact CD2-CB 4.11Å; Y138-K140 HydrophobicContact CE2-CB 3.97Å; Y138-A163 HydrophobicContact CD2-CB 4.09Å; Y138-R164 VanDerWaalsContact CA-O 3.28Å; Y138-R164 WeakPolarHBondContact CA-O 3.47Å; Y138-R164 VanDerWaalsContact CB-O 3.28Å; Y138-R164 WeakPolarHBondContact CB-O 3.39Å; Y138-Q261 PolarHBondContact OH-NE2 3.35Å
139T96.9Very high90.7Very high50 Ų5044.9 Ų44.931%0.30722%0.221SC..EExtended strand (participates in β ladder)trans-110.4135.7167.256.70000108.7Y121 A163 R164Y121-T139 CarbonylContact O-C 3.6Å; Y121-T139 WeakPolarHBondContact O-CA 3.44Å; T139-A163 CarbonylContact O-C 3.49Å; T139-A163 VanDerWaalsContact O-CA 3.31Å; T139-A163 WeakPolarHBondContact O-CA 3.5Å; T139-R164 PolarHBondContact N-O 2.9Å; T139-R164 PolarHBondContact O-N 2.8Å
140K96.9Very high90.3Very high2 Ų246.8 Ų46.81%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-122.8130.3176.2-176.3169.1172.2171.90110.6R120 Y121 Y138 V142 L162 A163 E175 Y263R120-K140 CarbonylContact C-O 3.54Å; R120-K140 WeakPolarHBondContact CA-O 3.07Å; Y121-K140 HydrophobicContact CD1-CB 4.4Å; Y121-K140 PolarHBondContact N-O 2.82Å; Y121-K140 PolarHBondContact O-N 3.32Å; Y138-K140 HydrophobicContact CD2-CB 4.11Å; Y138-K140 HydrophobicContact CE2-CB 3.97Å; K140-V142 HydrophobicContact CG-CG2 4.34Å; K140-L162 CarbonylContact C-O 3.54Å; K140-L162 VanDerWaalsContact CA-O 3.3Å; K140-L162 WeakPolarHBondContact CA-O 2.87Å; K140-A163 HydrophobicContact CB-CB 4.01Å; K140-A163 HydrophobicContact CD-CB 4.19Å; K140-A163 HydrophobicContact CG-CB 4.02Å; K140-E175 WeakPolarHBondContact CE-OE2 3.36Å; K140-E175 IonicContact NZ-OE1 2.69Å; K140-E175 PolarHBondContact NZ-OE1 3.16Å; K140-E175 IonicContact NZ-OE2 3.48Å; K140-E175 PolarHBondContact NZ-OE2 2.84Å; K140-Y263 HydrophobicContact CB-CE1 4.37Å; K140-Y263 HydrophobicContact CD-CE1 4.28Å; K140-Y263 VanDerWaalsContact CD-OH 3.26Å; K140-Y263 WeakPolarHBondContact CD-OH 3.12Å; K140-Y263 VanDerWaalsContact CE-OH 3.27Å; K140-Y263 WeakPolarHBondContact CE-OH 3.29Å; K140-Y263 HydrophobicContact CG-CE1 4.08Å
141T97.4Very high89.6Confident33 Ų3351.6 Ų51.620%0.20226%0.26CS..EExtended strand (participates in β ladder)trans-112.4125.6172.4-60.70000109.1E118 W119 R143 G161 L162E118-T141 HydrophobicContact CG-CG2 3.51Å; W119-T141 CarbonylContact O-C 3.48Å; W119-T141 WeakPolarHBondContact O-CA 3.37Å; T141-R143 HydrophobicContact CG2-CG 4.37Å; T141-G161 CarbonylContact O-C 3.52Å; T141-G161 WeakPolarHBondContact O-CA 3.37Å; T141-L162 PolarHBondContact N-O 2.76Å; T141-L162 PolarHBondContact O-N 2.79Å
142V97Very high88.4Confident0 Ų058.9 Ų58.90%029%0.291CS..EExtended strand (participates in β ladder)trans-112.7126.4176168.30000108.7E118 W119 K140 I144 Y159 T160 Y263E118-V142 CarbonylContact C-O 3.51Å; E118-V142 WeakPolarHBondContact CA-O 3.15Å; W119-V142 HydrophobicContact CB-CB 4.26Å; W119-V142 PolarHBondContact N-O 2.84Å; W119-V142 PolarHBondContact O-N 2.78Å; K140-V142 HydrophobicContact CG-CG2 4.34Å; V142-I144 HydrophobicContact CG1-CD1 4.29Å; V142-I144 HydrophobicContact CG1-CG1 4.04Å; V142-Y159 HydrophobicContact CG1-CD2 4.06Å; V142-Y159 HydrophobicContact CG1-CE2 3.43Å; V142-Y159 VanDerWaalsContact CG1-CE2 3.43Å; V142-Y159 HydrophobicContact CG2-CE2 4.37Å; V142-T160 CarbonylContact C-O 3.57Å; V142-T160 WeakPolarHBondContact CA-O 3.43Å; V142-Y263 HydrophobicContact CB-CD1 4.43Å; V142-Y263 HydrophobicContact CB-CE1 4.2Å; V142-Y263 HydrophobicContact CG2-CD1 4.24Å; V142-Y263 HydrophobicContact CG2-CE1 3.54Å
143R97.3Very high87.5Confident125 Ų12562 Ų6247%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-115.3120.1176.3-68.6177.7172.2172.2-0.8109.1E118 T141 M145 Y159 T160E118-R143 HydrophobicContact CB-CG 4.31Å; E118-R143 HydrophobicContact CG-CG 4Å; E118-R143 IonicContact OE2-CZ 3.97Å; E118-R143 IonicContact OE2-NE 2.99Å; E118-R143 PolarHBondContact OE2-NE 2.84Å; E118-R143 IonicContact OE2-NH2 2.97Å; E118-R143 PolarHBondContact OE2-NH2 3.05Å; T141-R143 HydrophobicContact CG2-CG 4.37Å; R143-M145 HydrophobicContact CB-CG 4.35Å; R143-Y159 WeakPolarHBondContact O-CA 3.31Å; R143-T160 PolarHBondContact N-O 3.47Å; R143-T160 PolarHBondContact O-N 2.99Å
144I96.3Very high86.7Confident4 Ų463.9 Ų63.92%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-114.5107.6174.7-60.5174.4000106.9L115 I116 G117 V142 L157 N158 Y159 L247L115-I144 HydrophobicContact CD1-CD1 3.71Å; L115-I144 HydrophobicContact CD2-CD1 4.11Å; L115-I144 HydrophobicContact CG-CD1 3.64Å; L115-I144 HydrophobicContact CG-CG2 4.45Å; I116-I144 CarbonylContact C-O 3.59Å; I116-I144 WeakPolarHBondContact CA-O 3.47Å; I116-I144 WeakPolarHBondContact CG2-O 3.44Å; G117-I144 PolarHBondContact N-O 3.44Å; G117-I144 PolarHBondContact O-N 3.06Å; V142-I144 HydrophobicContact CG1-CD1 4.29Å; V142-I144 HydrophobicContact CG1-CG1 4.04Å; I144-L157 HydrophobicContact CG2-CB 3.94Å; I144-L157 HydrophobicContact CG2-CD1 3.82Å; I144-L157 HydrophobicContact CG2-CG 4.42Å; I144-N158 CarbonylContact C-O 3.57Å; I144-N158 VanDerWaalsContact CA-O 3.29Å; I144-N158 WeakPolarHBondContact CA-O 3.45Å; I144-Y159 HydrophobicContact CD1-CD2 4.45Å; I144-Y159 HydrophobicContact CG1-CD2 4.05Å; I144-L247 HydrophobicContact CD1-CD2 4.39Å
145M94.6Very high86.3Confident92 Ų9256.8 Ų56.845%0.45328%0.283SS..EExtended strand (participates in β ladder)trans-128.1152.8-169.3-58.5-60.6-102.200111.4R143 L157 N158R143-M145 HydrophobicContact CB-CG 4.35Å; M145-L157 CarbonylContact O-C 3.58Å; M145-L157 WeakPolarHBondContact O-CA 3.36Å; M145-N158 PolarHBondContact N-O 3Å; M145-N158 PolarHBondContact O-N 2.8Å
146L91.9Very high86.4Confident23 Ų2348 Ų4812%0.1225%0.251CS..EExtended strand (participates in β ladder)trans-66.1140.6171.3-73.6169.5000111L103 L105 L109 I116 L157L103-L146 HydrophobicContact CB-CB 4.36Å; L103-L146 HydrophobicContact CB-CD1 4.39Å; L103-L146 HydrophobicContact CD1-CB 4.24Å; L103-L146 WeakPolarHBondContact O-CD1 3.43Å; L105-L146 HydrophobicContact CD1-CD1 3.95Å; L105-L146 HydrophobicContact CD1-CD2 3.81Å; L105-L146 HydrophobicContact CD1-CG 4.38Å; L109-L146 HydrophobicContact CD1-CD2 3.69Å; I116-L146 HydrophobicContact CD1-CD2 4.13Å; I116-L146 HydrophobicContact CD1-CG 4.11Å; L146-L157 HydrophobicContact CD2-CD2 3.55Å; L146-L157 HydrophobicContact CG-CD2 4.2Å
147T87.6Confident86.5Confident20 Ų2046.7 Ų46.712%0.12324%0.238CC..PPolyproline II helixtrans-84151.8165.750.20000110.4V149 S156 N158T147-V149 PolarHBondContact O-N 2.81Å; T147-S156 WeakPolarHBondContact CB-O 3.47Å; T147-S156 WeakPolarHBondContact CG2-O 3.36Å; T147-S156 PolarHBondContact N-O 3.15Å; T147-S156 PolarHBondContact OG1-N 2.87Å; T147-S156 PolarHBondContact OG1-O 3.08Å; T147-N158 HydrophobicContact CG2-CB 4.26Å; T147-N158 WeakPolarHBondContact CG2-ND2 3.22Å; T147-N158 WeakPolarHBondContact CG2-OD1 3.31Å
148E83.1Confident86.5Confident125 Ų12549.3 Ų49.358%0.58425%0.251SS*.PPolyproline II helixtrans-58132.3162.7-75.4-158.8-166.600109.5K60 L103 P150K60-E148 IonicContact NZ-OE2 3.85Å; K60-E148 PolarHBondContact NZ-OE2 2.72Å; L103-E148 HydrophobicContact CD1-CG 4.05Å; L103-E148 HydrophobicContact CD2-CG 4.07Å; E148-P150 WeakPolarHBondContact O-CD 3.48Å
149V76.4Confident86.6Confident20 Ų2049.7 Ų49.712%0.12125%0.252CS..PPolyproline II helixtrans-70.5119.1-175.1-172.90000109.2V58 Y59 T147 P155V58-V149 HydrophobicContact CG1-CG2 4.16Å; Y59-V149 HydrophobicContact CD1-CB 4.37Å; Y59-V149 HydrophobicContact CD1-CG1 3.13Å; Y59-V149 HydrophobicContact CD2-CG1 4.19Å; Y59-V149 HydrophobicContact CE1-CG1 3.05Å; Y59-V149 HydrophobicContact CE2-CG1 4.12Å; Y59-V149 HydrophobicContact CG-CG1 3.73Å; T147-V149 PolarHBondContact O-N 2.81Å; V149-P155 HydrophobicContact CB-CB 4.49Å; V149-P155 HydrophobicContact CB-CG 4.35Å; V149-P155 HydrophobicContact CG1-CB 4.39Å; V149-P155 HydrophobicContact CG1-CG 3.89Å; V149-P155 HydrophobicContact CG2-CB 4.12Å; V149-P155 HydrophobicContact CG2-CG 3.88Å
150P72.2Confident86.6Confident52 Ų5249.1 Ų49.134%0.33825%0.249SC..PPolyproline II helixtrans-63154.1176.725.6-31.8000110E148 F152 D153E148-P150 WeakPolarHBondContact O-CD 3.48Å; P150-F152 PolarHBondContact O-N 2.86Å; P150-F152 VanDerWaalsContact O-N 3.16Å; P150-D153 HydrophobicContact CB-CB 4.25Å; P150-D153 HydrophobicContact CG-CB 3.4Å; P150-D153 VanDerWaalsContact CG-CB 3.4Å
151L67.3Low86.6Confident102 Ų10249.1 Ų49.153%0.53425%0.249SC..THydrogen-bonded Turntrans-55.5-34.1176.4-71.6169.7000111.7A61A61-L151 HydrophobicContact CB-CD2 4.42Å
152F61.9Low86.6Confident159 Ų15950.5 Ų50.570%0.69726%0.255SS*.THydrogen-bonded Turntrans-143.583.6179.6-55-78.4000110.1P150P150-F152 PolarHBondContact O-N 2.86Å; P150-F152 VanDerWaalsContact O-N 3.16Å
153D71.2Confident86.5Confident110 Ų11050.6 Ų50.659%0.58826%0.255SS*.SBendtrans-174.1176.3156.9-144.1-31000109.7Y59 P150Y59-D153 WeakPolarHBondContact CE1-O 3.5Å; Y59-D153 PolarHBondContact OH-O 2.8Å; P150-D153 HydrophobicContact CB-CB 4.25Å; P150-D153 HydrophobicContact CG-CB 3.4Å; P150-D153 VanDerWaalsContact CG-CB 3.4Å
154T74.5Confident86.5Confident45 Ų4549.5 Ų49.528%0.27625%0.251SS..PPolyproline II helixtrans-80.6120.6162.553.70000110P183T154-P183 HydrophobicContact CG2-CG 3.71Å
155P80.7Confident86.5Confident2 Ų249.7 Ų49.71%0.01325%0.253CS..PPolyproline II helixtrans-59140.4174.620.4-30.6000112.4Y59 P106 Y108 V149Y59-P155 WeakPolarHBondContact OH-CD 3.12Å; P106-P155 HydrophobicContact CB-CG 4.47Å; P106-P155 HydrophobicContact CG-CG 3.59Å; Y108-P155 HydrophobicContact CE1-CG 4.32Å; Y108-P155 WeakPolarHBondContact OH-CD 3.19Å; Y108-P155 WeakPolarHBondContact OH-CG 3.43Å; Y108-P155 PolarHBondContact OH-O 2.72Å; V149-P155 HydrophobicContact CB-CB 4.49Å; V149-P155 HydrophobicContact CB-CG 4.35Å; V149-P155 HydrophobicContact CG1-CB 4.39Å; V149-P155 HydrophobicContact CG1-CG 3.89Å; V149-P155 HydrophobicContact CG2-CB 4.12Å; V149-P155 HydrophobicContact CG2-CG 3.88Å
156S89Confident86.6Confident11 Ų1150 Ų508%0.07725%0.252CS..PPolyproline II helixtrans-95.6168172.459.70000110.9T147 F178 L179T147-S156 WeakPolarHBondContact CB-O 3.47Å; T147-S156 WeakPolarHBondContact CG2-O 3.36Å; T147-S156 PolarHBondContact N-O 3.15Å; T147-S156 PolarHBondContact OG1-N 2.87Å; T147-S156 PolarHBondContact OG1-O 3.08Å; S156-F178 WeakPolarHBondContact OG-CD1 3.25Å; S156-L179 WeakPolarHBondContact CB-O 3.36Å
157L94.2Very high86.7Confident0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-90.8127.1162.5-58.6179.1000108.9L109 L112 I116 I144 M145 L146 F178 L179L109-L157 HydrophobicContact CD1-CD2 3.99Å; L109-L157 HydrophobicContact CD1-CG 4.47Å; L112-L157 HydrophobicContact CB-CD1 4.11Å; L112-L157 HydrophobicContact CD1-CD1 3.78Å; I116-L157 HydrophobicContact CD1-CD2 3.91Å; I116-L157 HydrophobicContact CG1-CD1 4.11Å; I116-L157 HydrophobicContact CG1-CD2 4.04Å; I144-L157 HydrophobicContact CG2-CB 3.94Å; I144-L157 HydrophobicContact CG2-CD1 3.82Å; I144-L157 HydrophobicContact CG2-CG 4.42Å; M145-L157 CarbonylContact O-C 3.58Å; M145-L157 WeakPolarHBondContact O-CA 3.36Å; L146-L157 HydrophobicContact CD2-CD2 3.55Å; L146-L157 HydrophobicContact CG-CD2 4.2Å; L157-F178 CarbonylContact O-C 3.58Å; L157-F178 VanDerWaalsContact O-CA 3.28Å; L157-F178 WeakPolarHBondContact O-CA 3.49Å; L157-L179 HydrophobicContact CB-CB 4.23Å; L157-L179 HydrophobicContact CD1-CD2 4.3Å; L157-L179 PolarHBondContact N-O 2.53Å; L157-L179 PolarHBondContact O-N 3.07Å
158N94.9Very high87Confident61 Ų6156.9 Ų56.933%0.32629%0.287SS..EExtended strand (participates in β ladder)trans-69.6129.1169.1-82-17.4000109.5I144 M145 T147 F178I144-N158 CarbonylContact C-O 3.57Å; I144-N158 VanDerWaalsContact CA-O 3.29Å; I144-N158 WeakPolarHBondContact CA-O 3.45Å; M145-N158 PolarHBondContact N-O 3Å; M145-N158 PolarHBondContact O-N 2.8Å; T147-N158 HydrophobicContact CG2-CB 4.26Å; T147-N158 WeakPolarHBondContact CG2-ND2 3.22Å; T147-N158 WeakPolarHBondContact CG2-OD1 3.31Å; N158-F178 WeakPolarHBondContact OD1-CD1 3.18Å; N158-F178 WeakPolarHBondContact OD1-CE1 3.3Å
159Y96.6Very high87.4Confident7 Ų754.6 Ų54.63%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-106.8130.7169.8178.9-84000109.3V142 R143 I144 E175 G177 F193 L195V142-Y159 HydrophobicContact CG1-CD2 4.06Å; V142-Y159 HydrophobicContact CG1-CE2 3.43Å; V142-Y159 VanDerWaalsContact CG1-CE2 3.43Å; V142-Y159 HydrophobicContact CG2-CE2 4.37Å; R143-Y159 WeakPolarHBondContact O-CA 3.31Å; I144-Y159 HydrophobicContact CD1-CD2 4.45Å; I144-Y159 HydrophobicContact CG1-CD2 4.05Å; Y159-E175 HydrophobicContact CE1-CB 3.9Å; Y159-E175 WeakPolarHBondContact CE1-OE2 3.34Å; Y159-E175 PolarHBondContact OH-OE2 2.6Å; Y159-G177 PolarHBondContact N-O 2.69Å; Y159-G177 PolarHBondContact O-N 3.27Å; Y159-F193 HydrophobicContact CD1-CE2 4.22Å; Y159-F193 AromaticContact CD1-CZ 3.95Å; Y159-F193 HydrophobicContact CD1-CZ 3.95Å; Y159-F193 HydrophobicContact CD2-CE2 4.01Å; Y159-F193 AromaticContact CD2-CZ 3.81Å; Y159-F193 HydrophobicContact CD2-CZ 3.81Å; Y159-F193 HydrophobicContact CE1-CZ 4.19Å; Y159-F193 HydrophobicContact CE2-CZ 4.04Å; Y159-F193 AromaticContact CG-CE2 3.75Å; Y159-F193 HydrophobicContact CG-CE2 3.75Å; Y159-F193 AromaticContact CG-CZ 3.75Å; Y159-F193 HydrophobicContact CG-CZ 3.75Å; Y159-L195 HydrophobicContact CD1-CD1 3.68Å; Y159-L195 HydrophobicContact CE1-CD1 3.61Å
160T97.4Very high88.1Confident39 Ų3960.6 Ų60.624%0.23931%0.314CS..EExtended strand (participates in β ladder)trans-133.8121.7168.5-72.40000109.1V142 R143 E175 K176V142-T160 CarbonylContact C-O 3.57Å; V142-T160 WeakPolarHBondContact CA-O 3.43Å; R143-T160 PolarHBondContact N-O 3.47Å; R143-T160 PolarHBondContact O-N 2.99Å; T160-E175 CarbonylContact C-O 3.59Å; T160-E175 WeakPolarHBondContact CA-O 3.47Å; T160-K176 HydrophobicContact CG2-CD 4.21Å; T160-K176 WeakPolarHBondContact OG1-CD 3.34Å; T160-K176 PolarHBondContact OG1-NZ 3.33Å
161G96.8Very high89.2Confident1 Ų159.1 Ų59.11%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-108136.3169.300000110.3T141 E174 E175T141-G161 CarbonylContact O-C 3.52Å; T141-G161 WeakPolarHBondContact O-CA 3.37Å; G161-E174 WeakPolarHBondContact O-CA 3.49Å; G161-E175 PolarHBondContact N-O 3.36Å; G161-E175 PolarHBondContact O-N 2.66Å
162L97Very high90.5Very high63 Ų6355.6 Ų55.633%0.3329%0.286SS..EExtended strand (participates in β ladder)trans-133.8112.6173.5177.767.9000108.6K140 T141 V172 E174K140-L162 CarbonylContact C-O 3.54Å; K140-L162 VanDerWaalsContact CA-O 3.3Å; K140-L162 WeakPolarHBondContact CA-O 2.87Å; T141-L162 PolarHBondContact N-O 2.76Å; T141-L162 PolarHBondContact O-N 2.79Å; L162-V172 HydrophobicContact CD1-CG1 3.42Å; L162-V172 VanDerWaalsContact CD1-CG1 3.42Å; L162-E174 HydrophobicContact CD1-CG 3.77Å
163A96.6Very high92Very high1 Ų148.3 Ų48.31%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-109.9136.2173.700000110.3H128 F133 Y138 T139 K140 V172 H173H128-A163 WeakPolarHBondContact NE2-CB 3.3Å; F133-A163 HydrophobicContact CE2-CB 4.01Å; F133-A163 HydrophobicContact CZ-CB 3.73Å; Y138-A163 HydrophobicContact CD2-CB 4.09Å; T139-A163 CarbonylContact O-C 3.49Å; T139-A163 VanDerWaalsContact O-CA 3.31Å; T139-A163 WeakPolarHBondContact O-CA 3.5Å; K140-A163 HydrophobicContact CB-CB 4.01Å; K140-A163 HydrophobicContact CD-CB 4.19Å; K140-A163 HydrophobicContact CG-CB 4.02Å; A163-V172 WeakPolarHBondContact O-CA 3.33Å; A163-H173 HydrophobicContact CB-CB 4.33Å; A163-H173 PolarHBondContact N-O 3.44Å; A163-H173 PolarHBondContact O-N 2.86Å
164R96.4Very high93.2Very high103 Ų10347 Ų4739%0.38925%0.245SC..EExtended strand (participates in β ladder)trans-132.9132.6-179.4-173.5179.9-60.5-88.40.1110.3Y138 T139 P169 V172Y138-R164 VanDerWaalsContact CA-O 3.28Å; Y138-R164 WeakPolarHBondContact CA-O 3.47Å; Y138-R164 VanDerWaalsContact CB-O 3.28Å; Y138-R164 WeakPolarHBondContact CB-O 3.39Å; T139-R164 PolarHBondContact N-O 2.9Å; T139-R164 PolarHBondContact O-N 2.8Å; R164-P169 PolarHBondContact NH1-O 3.07Å; R164-V172 HydrophobicContact CG-CG2 4.27Å; R164-V172 VanDerWaalsContact NH1-CG2 3.33Å
165S96.7Very high94.2Very high8 Ų845 Ų456%0.05623%0.233CC..EExtended strand (participates in β ladder)trans-63.3142.9175.1173.30000111.2L167 N168 D171S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact OG-N 3.49Å; S165-L167 VanDerWaalsContact OG-N 3.1Å; S165-N168 WeakPolarHBondContact CB-O 3.4Å; S165-N168 PolarHBondContact OG-N 2.88Å; S165-N168 VanDerWaalsContact OG-N 3.15Å; S165-D171 PolarHBondContact N-O 2.81Å; S165-D171 VanDerWaalsContact N-O 3.11Å
166K95.5Very high94.9Very high99 Ų9949.5 Ų49.543%0.4325%0.252SS..SBendtrans-75.7-20.9173-69.1-179.2175.4-170.30113.2D122 G137D122-K166 WeakPolarHBondContact OD1-CE 3.3Å; D122-K166 IonicContact OD1-NZ 3.92Å; D122-K166 PolarHBondContact OD1-NZ 3.34Å; D122-K166 WeakPolarHBondContact OD2-CE 3.29Å; D122-K166 IonicContact OD2-NZ 2.55Å; D122-K166 PolarHBondContact OD2-NZ 2.95Å; G137-K166 WeakPolarHBondContact O-CB 3.48Å; G137-K166 PolarHBondContact O-N 3.08Å
167L94.7Very high95.2Very high121 Ų12149.3 Ų49.363%0.63425%0.252SS*.SBendtrans-104.3-29.7-176.2-63.5-174.6000113R135 S165R135-L167 HydrophobicContact CB-CD1 3.92Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact OG-N 3.49Å; S165-L167 VanDerWaalsContact OG-N 3.1Å
168N93.8Very high95.3Very high66 Ų6653.2 Ų53.235%0.35327%0.269SS..  trans-126.5100.9176.2-177.15.2000110.1S165 D170 D171S165-N168 WeakPolarHBondContact CB-O 3.4Å; S165-N168 PolarHBondContact OG-N 2.88Å; S165-N168 VanDerWaalsContact OG-N 3.15Å; N168-D170 PolarHBondContact O-N 2.85Å; N168-D170 VanDerWaalsContact O-N 3.1Å; N168-D170 PolarHBondContact OD1-N 3Å; N168-D170 VanDerWaalsContact OD1-N 3.13Å; N168-D171 HydrophobicContact CB-CB 4.09Å; N168-D171 PolarHBondContact O-N 2.78Å
169P90.8Very high95.3Very high77 Ų7750.7 Ų50.750%0.526%0.255SS..THydrogen-bonded Turntrans-62.5-19.9-17826.5-34.3000113.6R164R164-P169 PolarHBondContact NH1-O 3.07Å
170D93Very high95Very high145 Ų14554 Ų5478%0.77527%0.267SS*.THydrogen-bonded Turntrans-81.7-15.5178-60.6-35.5000113N168 V172N168-D170 PolarHBondContact O-N 2.85Å; N168-D170 VanDerWaalsContact O-N 3.1Å; N168-D170 PolarHBondContact OD1-N 3Å; N168-D170 VanDerWaalsContact OD1-N 3.13Å; D170-V172 PolarHBondContact O-N 2.99Å
171D93.4Very high94.7Very high21 Ų2152.3 Ų52.311%0.11226%0.257CS..  trans-83100.8174.7-162.14.5000109.4F133 S165 N168 H173F133-D171 HydrophobicContact CD1-CB 4.27Å; F133-D171 WeakPolarHBondContact CD1-OD2 3.49Å; F133-D171 HydrophobicContact CE1-CB 4.47Å; F133-D171 WeakPolarHBondContact CE1-O 3.49Å; S165-D171 PolarHBondContact N-O 2.81Å; S165-D171 VanDerWaalsContact N-O 3.11Å; N168-D171 HydrophobicContact CB-CB 4.09Å; N168-D171 PolarHBondContact O-N 2.78Å; D171-H173 IonicContact OD1-NE2 2.97Å
172V94.6Very high94.2Very high28 Ų2859.9 Ų59.917%0.1729%0.286CS..EExtended strand (participates in β ladder)trans-129.5128.1-173.3-177.60000110.3L162 A163 R164 D170 E174 N198L162-V172 HydrophobicContact CD1-CG1 3.42Å; L162-V172 VanDerWaalsContact CD1-CG1 3.42Å; A163-V172 WeakPolarHBondContact O-CA 3.33Å; R164-V172 HydrophobicContact CG-CG2 4.27Å; R164-V172 VanDerWaalsContact NH1-CG2 3.33Å; D170-V172 PolarHBondContact O-N 2.99Å; V172-E174 HydrophobicContact CG1-CG 4.1Å; V172-N198 PolarHBondContact O-ND2 2.92Å
173H94.3Very high93.3Very high6 Ų660 Ų603%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-108.8130170.3-61.7-57.4000110.2H128 F133 A163 D171 N198H128-H173 AromaticContact CE1-CD2 3.85Å; H128-H173 AromaticContact CE1-CG 3.88Å; H128-H173 AromaticContact ND1-CD2 3.44Å; H128-H173 PolarHBondContact ND1-CD2 3.08Å; H128-H173 AromaticContact ND1-CG 3.88Å; F133-H173 AromaticContact CE1-CD2 3.47Å; F133-H173 VanDerWaalsContact CE1-CD2 3.47Å; F133-H173 WeakPolarHBondContact CE1-CD2 3.3Å; F133-H173 AromaticContact CE1-NE2 3.89Å; F133-H173 AromaticContact CE2-CD2 3.78Å; F133-H173 AromaticContact CZ-CD2 3.35Å; F133-H173 WeakPolarHBondContact CZ-CD2 3.42Å; A163-H173 HydrophobicContact CB-CB 4.33Å; A163-H173 PolarHBondContact N-O 3.44Å; A163-H173 PolarHBondContact O-N 2.86Å; D171-H173 IonicContact OD1-NE2 2.97Å; H173-N198 WeakPolarHBondContact CA-OD1 3.15Å
174E95.5Very high91.9Very high84 Ų8462.2 Ų62.239%0.39331%0.313SS..EExtended strand (participates in β ladder)trans-119.1139.4179.8-64.2-167.4-16900110.8G161 L162 V172 T197 N198G161-E174 WeakPolarHBondContact O-CA 3.49Å; L162-E174 HydrophobicContact CD1-CG 3.77Å; V172-E174 HydrophobicContact CG1-CG 4.1Å; E174-T197 CarbonylContact O-C 3.48Å; E174-T197 VanDerWaalsContact O-CA 3.24Å; E174-T197 WeakPolarHBondContact O-CA 3.38Å; E174-N198 HydrophobicContact CB-CB 4.16Å; E174-N198 VanDerWaalsContact N-CG 3.3Å; E174-N198 PolarHBondContact N-ND2 2.79Å; E174-N198 PolarHBondContact N-OD1 2.98Å; E174-N198 PolarHBondContact O-N 2.85Å
175E95.3Very high90.2Very high3 Ų363 Ų631%0.01433%0.329CS..EExtended strand (participates in β ladder)trans-127.7133178.3-60.3171.3179.300108.8H128 K140 Y159 T160 G161 L195 V196 T197H128-E175 IonicContact NE2-OE1 3.08Å; K140-E175 WeakPolarHBondContact CE-OE2 3.36Å; K140-E175 IonicContact NZ-OE1 2.69Å; K140-E175 PolarHBondContact NZ-OE1 3.16Å; K140-E175 IonicContact NZ-OE2 3.48Å; K140-E175 PolarHBondContact NZ-OE2 2.84Å; Y159-E175 HydrophobicContact CE1-CB 3.9Å; Y159-E175 WeakPolarHBondContact CE1-OE2 3.34Å; Y159-E175 PolarHBondContact OH-OE2 2.6Å; T160-E175 CarbonylContact C-O 3.59Å; T160-E175 WeakPolarHBondContact CA-O 3.47Å; G161-E175 PolarHBondContact N-O 3.36Å; G161-E175 PolarHBondContact O-N 2.66Å; E175-L195 HydrophobicContact CB-CD1 3.87Å; E175-V196 CarbonylContact C-O 3.38Å; E175-V196 WeakPolarHBondContact CA-O 3.21Å; E175-T197 HydrophobicContact CG-CG2 4.2Å
176K96.7Very high88.4Confident96 Ų9667.8 Ų67.842%0.41736%0.358SS..EExtended strand (participates in β ladder)trans-131.3141.8176-61.7-67.8176.3174.10109.2T160 L195 V196T160-K176 HydrophobicContact CG2-CD 4.21Å; T160-K176 WeakPolarHBondContact OG1-CD 3.34Å; T160-K176 PolarHBondContact OG1-NZ 3.33Å; K176-L195 CarbonylContact O-C 3.57Å; K176-L195 WeakPolarHBondContact O-CA 3Å; K176-V196 HydrophobicContact CB-CG2 3.93Å; K176-V196 PolarHBondContact N-O 2.79Å; K176-V196 WeakPolarHBondContact O-CG2 3.41Å; K176-V196 PolarHBondContact O-N 2.83Å
177G95.8Very high86.9Confident7 Ų769 Ų697%0.07238%0.376CS..EExtended strand (participates in β ladder)trans-172.5-178.8-174.800000114.1Y159 M194Y159-G177 PolarHBondContact N-O 2.69Å; Y159-G177 PolarHBondContact O-N 3.27Å; G177-M194 CarbonylContact C-O 3.57Å; G177-M194 WeakPolarHBondContact CA-O 3.49Å
178F95.1Very high85.8Confident82 Ų8265.7 Ų65.736%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-140.2139.2177.5-57.1-85.8000109.9S156 L157 N158 W180 F193 M194S156-F178 WeakPolarHBondContact OG-CD1 3.25Å; L157-F178 CarbonylContact O-C 3.58Å; L157-F178 VanDerWaalsContact O-CA 3.28Å; L157-F178 WeakPolarHBondContact O-CA 3.49Å; N158-F178 WeakPolarHBondContact OD1-CD1 3.18Å; N158-F178 WeakPolarHBondContact OD1-CE1 3.3Å; F178-W180 HydrophobicContact CB-CD2 4.18Å; F178-W180 HydrophobicContact CB-CE3 4.04Å; F178-W180 HydrophobicContact CB-CH2 3.36Å; F178-W180 HydrophobicContact CB-CZ2 3.45Å; F178-W180 VanDerWaalsContact CB-CZ2 3.45Å; F178-W180 HydrophobicContact CB-CZ3 3.65Å; F178-W180 AromaticContact CD2-CH2 3.93Å; F178-W180 HydrophobicContact CD2-CH2 3.93Å; F178-W180 HydrophobicContact CD2-CZ2 4.08Å; F178-W180 AromaticContact CG-CH2 3.98Å; F178-W180 HydrophobicContact CG-CH2 3.98Å; F178-W180 AromaticContact CG-CZ2 3.89Å; F178-W180 HydrophobicContact CG-CZ2 3.89Å; F178-W180 VanDerWaalsContact O-CZ3 3.29Å; F178-W180 WeakPolarHBondContact O-CZ3 3.07Å; F178-F193 WeakPolarHBondContact O-CA 3.28Å; F178-F193 WeakPolarHBondContact O-CD2 3.42Å; F178-M194 PolarHBondContact N-O 2.98Å; F178-M194 PolarHBondContact O-N 2.79Å
179L94.4Very high85.4Confident7 Ų764.4 Ų64.44%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-108.3120.9171.4-171.175.2000108.7L112 L115 S156 L157 V191 A192 F193 I214L112-L179 HydrophobicContact CD1-CD2 3.95Å; L115-L179 HydrophobicContact CD2-CD2 4.21Å; S156-L179 WeakPolarHBondContact CB-O 3.36Å; L157-L179 HydrophobicContact CB-CB 4.23Å; L157-L179 HydrophobicContact CD1-CD2 4.3Å; L157-L179 PolarHBondContact N-O 2.53Å; L157-L179 PolarHBondContact O-N 3.07Å; L179-V191 HydrophobicContact CD1-CG1 3.41Å; L179-V191 VanDerWaalsContact CD1-CG1 3.41Å; L179-V191 HydrophobicContact CG-CG1 4Å; L179-A192 WeakPolarHBondContact CA-O 3.38Å; L179-F193 HydrophobicContact CB-CD2 4.32Å; L179-F193 HydrophobicContact CD1-CB 3.78Å; L179-F193 HydrophobicContact CD1-CD2 4Å; L179-F193 HydrophobicContact CD1-CG 4.07Å; L179-I214 HydrophobicContact CD1-CD1 4.47Å; L179-I214 HydrophobicContact CD2-CD1 3.84Å
180W91.8Very high85.5Confident76 Ų7664.8 Ų64.829%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-109.5141.1175.4-62.9-94.9000110.2F178 V191 A192 M194F178-W180 HydrophobicContact CB-CD2 4.18Å; F178-W180 HydrophobicContact CB-CE3 4.04Å; F178-W180 HydrophobicContact CB-CH2 3.36Å; F178-W180 HydrophobicContact CB-CZ2 3.45Å; F178-W180 VanDerWaalsContact CB-CZ2 3.45Å; F178-W180 HydrophobicContact CB-CZ3 3.65Å; F178-W180 AromaticContact CD2-CH2 3.93Å; F178-W180 HydrophobicContact CD2-CH2 3.93Å; F178-W180 HydrophobicContact CD2-CZ2 4.08Å; F178-W180 AromaticContact CG-CH2 3.98Å; F178-W180 HydrophobicContact CG-CH2 3.98Å; F178-W180 AromaticContact CG-CZ2 3.89Å; F178-W180 HydrophobicContact CG-CZ2 3.89Å; F178-W180 VanDerWaalsContact O-CZ3 3.29Å; F178-W180 WeakPolarHBondContact O-CZ3 3.07Å; W180-V191 CarbonylContact O-C 3.59Å; W180-V191 VanDerWaalsContact O-CA 3.25Å; W180-V191 WeakPolarHBondContact O-CA 3.48Å; W180-V191 WeakPolarHBondContact O-CG1 3.34Å; W180-A192 HydrophobicContact CB-CB 4.47Å; W180-A192 HydrophobicContact CE3-CB 4.23Å; W180-A192 PolarHBondContact N-O 2.97Å; W180-A192 PolarHBondContact O-N 2.9Å; W180-M194 HydrophobicContact CH2-CB 3.8Å; W180-M194 HydrophobicContact CH2-CE 3.97Å; W180-M194 HydrophobicContact CH2-SD 4.14Å; W180-M194 HydrophobicContact CZ3-CB 3.47Å; W180-M194 VanDerWaalsContact CZ3-CB 3.47Å; W180-M194 HydrophobicContact CZ3-CE 4.34Å
181V90Very high85.5Confident5 Ų558.1 Ų58.13%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-123.2126.1171.7-1770000108.7L109 L112 P183 R189 Q190 V191L109-V181 HydrophobicContact CD2-CB 4.45Å; L109-V181 HydrophobicContact CD2-CG2 4.44Å; L112-V181 HydrophobicContact CD1-CG2 3.38Å; L112-V181 HydrophobicContact CG-CG2 4.35Å; V181-P183 WeakPolarHBondContact O-CD 3.44Å; V181-R189 HydrophobicContact CG1-CB 3.71Å; V181-R189 HydrophobicContact CG1-CG 4.38Å; V181-Q190 WeakPolarHBondContact CA-O 3.33Å; V181-V191 HydrophobicContact CG2-CG1 4.48Å; V181-V191 HydrophobicContact CG2-CG2 4.1Å
182R86.3Confident85.6Confident160 Ų16058.1 Ų58.160%0.60432%0.316SS*.  trans-65129.5176.4-167.8174-174124.64.6110.1G184 Q190R182-G184 PolarHBondContact O-N 3Å; R182-Q190 HydrophobicContact CB-CB 3.98Å; R182-Q190 PolarHBondContact N-O 3.08Å
183P79.4Confident85.6Confident66 Ų6657 Ų5743%0.42931%0.309SS..  trans-65.8128.9170.4-20.532.7000111.6Y108 T154 V181Y108-P183 HydrophobicContact CD2-CG 4.37Å; Y108-P183 HydrophobicContact CG-CG 4.36Å; T154-P183 HydrophobicContact CG2-CG 3.71Å; V181-P183 WeakPolarHBondContact O-CD 3.44Å
184G66.6Low85.7Confident47 Ų4760.2 Ų60.249%0.48533%0.325SS..  trans79.2151.1176.700000114.4R182R182-G184 PolarHBondContact O-N 3Å
185T60.1Low85.6Confident119 Ų11956.6 Ų56.673%0.7331%0.308SS*.  cis-116151.2-18.339.10000107.4
186T60.1Low85.5Confident108 Ų10859.8 Ų59.866%0.66333%0.328SS*.SBendtrans-64.6150.7173.545.40000110.8
187P64.4Low85.4Confident124 Ų12455.9 Ų55.981%0.80531%0.312SS*.SBendcis-90.9-26.316.932.7-34.2000115.4
188S70.9Confident85.2Confident53 Ų5359.8 Ų59.837%0.37133%0.331SS..  trans-108125.3-176.357.80000111.5L209S188-L209 WeakPolarHBondContact CA-O 3.38Å
189R85.2Confident85Confident38 Ų3856.6 Ų56.614%0.14332%0.319CS..EExtended strand (participates in β ladder)trans-99.1137173-62.9-174.6179.6168.7-1.9110.2Y108 L111 V181 Y208 L209Y108-R189 PolarHBondContact O-NH1 2.97Å; L111-R189 VanDerWaalsContact CD1-CZ 3.42Å; V181-R189 HydrophobicContact CG1-CB 3.71Å; V181-R189 HydrophobicContact CG1-CG 4.38Å; R189-Y208 CarbonylContact O-C 3.53Å; R189-Y208 VanDerWaalsContact O-CA 3.3Å; R189-Y208 WeakPolarHBondContact O-CA 3.3Å; R189-L209 HydrophobicContact CB-CB 4.25Å; R189-L209 PolarHBondContact N-O 2.82Å; R189-L209 PolarHBondContact O-N 2.76Å
190Q91.9Very high84.8Confident85 Ų8557.5 Ų57.540%0.39733%0.33SS..EExtended strand (participates in β ladder)trans-68.1135.9172.2-72.5177.3-2800109.8V181 R182 G207 Y208V181-Q190 WeakPolarHBondContact CA-O 3.33Å; R182-Q190 HydrophobicContact CB-CB 3.98Å; R182-Q190 PolarHBondContact N-O 3.08Å; Q190-G207 CarbonylContact C-O 3.53Å; Q190-G207 WeakPolarHBondContact CA-O 3.37Å; Q190-Y208 HydrophobicContact CG-CD1 4.09Å; Q190-Y208 HydrophobicContact CG-CE1 3.6Å
191V94.2Very high84.7Confident5 Ų554.3 Ų54.33%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-126.9138.6179.8-176.60000108.7L179 W180 V181 E206 G207 L209 I214 L216L179-V191 HydrophobicContact CD1-CG1 3.41Å; L179-V191 VanDerWaalsContact CD1-CG1 3.41Å; L179-V191 HydrophobicContact CG-CG1 4Å; W180-V191 CarbonylContact O-C 3.59Å; W180-V191 VanDerWaalsContact O-CA 3.25Å; W180-V191 WeakPolarHBondContact O-CA 3.48Å; W180-V191 WeakPolarHBondContact O-CG1 3.34Å; V181-V191 HydrophobicContact CG2-CG1 4.48Å; V181-V191 HydrophobicContact CG2-CG2 4.1Å; V191-E206 CarbonylContact O-C 3.49Å; V191-E206 WeakPolarHBondContact O-CA 3.4Å; V191-G207 PolarHBondContact N-O 2.96Å; V191-G207 PolarHBondContact O-N 2.85Å; V191-L209 HydrophobicContact CG2-CB 3.74Å; V191-I214 HydrophobicContact CB-CG2 4.02Å; V191-I214 HydrophobicContact CG1-CD1 4.43Å; V191-I214 HydrophobicContact CG1-CG2 3.79Å; V191-I214 HydrophobicContact CG2-CG1 4.48Å; V191-I214 HydrophobicContact CG2-CG2 4.2Å; V191-L216 HydrophobicContact CB-CD2 4.33Å; V191-L216 HydrophobicContact CG1-CD2 4.18Å
192A94.8Very high84.8Confident21 Ų2156.2 Ų56.217%0.17433%0.333CS..EExtended strand (participates in β ladder)trans-120.4138.7168.300000109L179 W180 L204 Q205 E206L179-A192 WeakPolarHBondContact CA-O 3.38Å; W180-A192 HydrophobicContact CB-CB 4.47Å; W180-A192 HydrophobicContact CE3-CB 4.23Å; W180-A192 PolarHBondContact N-O 2.97Å; W180-A192 PolarHBondContact O-N 2.9Å; A192-L204 HydrophobicContact CB-CD1 4.48Å; A192-Q205 CarbonylContact C-O 3.52Å; A192-Q205 VanDerWaalsContact CA-O 3.31Å; A192-Q205 WeakPolarHBondContact CA-O 3.31Å; A192-E206 HydrophobicContact CB-CG 4.47Å
193F95.4Very high85Confident4 Ų449.1 Ų49.12%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-128.5117.2176.7-175.6-140.9000109.3Y159 F178 L179 L195 Q205 L216 H238Y159-F193 HydrophobicContact CD1-CE2 4.22Å; Y159-F193 AromaticContact CD1-CZ 3.95Å; Y159-F193 HydrophobicContact CD1-CZ 3.95Å; Y159-F193 HydrophobicContact CD2-CE2 4.01Å; Y159-F193 AromaticContact CD2-CZ 3.81Å; Y159-F193 HydrophobicContact CD2-CZ 3.81Å; Y159-F193 HydrophobicContact CE1-CZ 4.19Å; Y159-F193 HydrophobicContact CE2-CZ 4.04Å; Y159-F193 AromaticContact CG-CE2 3.75Å; Y159-F193 HydrophobicContact CG-CE2 3.75Å; Y159-F193 AromaticContact CG-CZ 3.75Å; Y159-F193 HydrophobicContact CG-CZ 3.75Å; F178-F193 WeakPolarHBondContact O-CA 3.28Å; F178-F193 WeakPolarHBondContact O-CD2 3.42Å; L179-F193 HydrophobicContact CB-CD2 4.32Å; L179-F193 HydrophobicContact CD1-CB 3.78Å; L179-F193 HydrophobicContact CD1-CD2 4Å; L179-F193 HydrophobicContact CD1-CG 4.07Å; F193-L195 HydrophobicContact CZ-CB 4.48Å; F193-L195 HydrophobicContact CZ-CD1 3.9Å; F193-Q205 PolarHBondContact N-O 3.4Å; F193-Q205 PolarHBondContact O-N 3.05Å; F193-L216 HydrophobicContact CB-CD1 3.65Å; F193-L216 HydrophobicContact CB-CD2 4.41Å; F193-L216 HydrophobicContact CD1-CD1 3.88Å; F193-L216 HydrophobicContact CG-CD1 4.16Å; F193-H238 AromaticContact CD1-CE1 3.95Å; F193-H238 AromaticContact CE1-CE1 3.78Å
194M95.1Very high85.7Confident75 Ų7548.1 Ų48.137%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-105.8135.7174.2-177.7-177.1-64.300109.2G177 F178 W180 M203 L204G177-M194 CarbonylContact C-O 3.57Å; G177-M194 WeakPolarHBondContact CA-O 3.49Å; F178-M194 PolarHBondContact N-O 2.98Å; F178-M194 PolarHBondContact O-N 2.79Å; W180-M194 HydrophobicContact CH2-CB 3.8Å; W180-M194 HydrophobicContact CH2-CE 3.97Å; W180-M194 HydrophobicContact CH2-SD 4.14Å; W180-M194 HydrophobicContact CZ3-CB 3.47Å; W180-M194 VanDerWaalsContact CZ3-CB 3.47Å; W180-M194 HydrophobicContact CZ3-CE 4.34Å; M194-M203 WeakPolarHBondContact CA-O 3.42Å; M194-L204 HydrophobicContact CB-CD1 4.42Å; M194-L204 HydrophobicContact CE-CD1 4.46Å
195L93.7Very high87.1Confident8 Ų846 Ų464%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-135.7136.7-178.2-16868.3000109.9Y159 E175 K176 F193 T197 S202 M203Y159-L195 HydrophobicContact CD1-CD1 3.68Å; Y159-L195 HydrophobicContact CE1-CD1 3.61Å; E175-L195 HydrophobicContact CB-CD1 3.87Å; K176-L195 CarbonylContact O-C 3.57Å; K176-L195 WeakPolarHBondContact O-CA 3Å; F193-L195 HydrophobicContact CZ-CB 4.48Å; F193-L195 HydrophobicContact CZ-CD1 3.9Å; L195-T197 HydrophobicContact CD2-CG2 4.48Å; L195-S202 CarbonylContact O-C 3.52Å; L195-S202 VanDerWaalsContact O-CA 3.31Å; L195-S202 WeakPolarHBondContact O-CA 3.41Å; L195-M203 HydrophobicContact CB-CE 4.34Å; L195-M203 HydrophobicContact CD2-CE 3.83Å; L195-M203 HydrophobicContact CG-CE 4.47Å; L195-M203 PolarHBondContact N-O 2.77Å; L195-M203 PolarHBondContact O-N 2.74Å
196V94Very high88.8Confident69 Ų6944.3 Ų44.342%0.41826%0.259SS..EExtended strand (participates in β ladder)trans-127.7145.6167.4-600000109.2E175 K176 V201E175-V196 CarbonylContact C-O 3.38Å; E175-V196 WeakPolarHBondContact CA-O 3.21Å; K176-V196 HydrophobicContact CB-CG2 3.93Å; K176-V196 PolarHBondContact N-O 2.79Å; K176-V196 WeakPolarHBondContact O-CG2 3.41Å; K176-V196 PolarHBondContact O-N 2.83Å; V196-V201 CarbonylContact C-O 3.59Å; V196-V201 WeakPolarHBondContact CA-O 3.28Å
197T93.6Very high90.4Very high15 Ų1539.7 Ų39.79%0.09223%0.233CC..EExtended strand (participates in β ladder)trans-123.8151.2-175.765.70000111.3P130 E174 E175 L195 S199 G200 V201P130-T197 HydrophobicContact CG-CG2 4.25Å; E174-T197 CarbonylContact O-C 3.48Å; E174-T197 VanDerWaalsContact O-CA 3.24Å; E174-T197 WeakPolarHBondContact O-CA 3.38Å; E175-T197 HydrophobicContact CG-CG2 4.2Å; L195-T197 HydrophobicContact CD2-CG2 4.48Å; T197-S199 VanDerWaalsContact CB-OG 3.31Å; T197-S199 WeakPolarHBondContact CB-OG 3.29Å; T197-S199 PolarHBondContact O-N 2.87Å; T197-S199 PolarHBondContact OG1-OG 2.72Å; T197-G200 PolarHBondContact O-N 3.09Å; T197-V201 HydrophobicContact CG2-CB 4.43Å; T197-V201 PolarHBondContact N-O 3.4Å; T197-V201 WeakPolarHBondContact OG1-CA 3.34Å; T197-V201 WeakPolarHBondContact OG1-CB 2.92Å; T197-V201 PolarHBondContact OG1-N 2.78Å; T197-V201 PolarHBondContact OG1-O 2.95Å; T197-V201 VanDerWaalsContact OG1-O 3.09Å
198N93.3Very high91.8Very high89 Ų8939 Ų3948%0.47622%0.215SC..THydrogen-bonded Turntrans-68.3-12.3173.471.3-20.9000113.5V172 H173 E174 G200V172-N198 PolarHBondContact O-ND2 2.92Å; H173-N198 WeakPolarHBondContact CA-OD1 3.15Å; E174-N198 HydrophobicContact CB-CB 4.16Å; E174-N198 VanDerWaalsContact N-CG 3.3Å; E174-N198 PolarHBondContact N-ND2 2.79Å; E174-N198 PolarHBondContact N-OD1 2.98Å; E174-N198 PolarHBondContact O-N 2.85Å; N198-G200 PolarHBondContact O-N 3.28Å
199S89.7Confident92.8Very high14 Ų1436.7 Ų36.710%0.09820%0.198CC..THydrogen-bonded Turntrans-76.5-2.8167.439.10000114P130 T197 S227P130-S199 WeakPolarHBondContact CG-OG 3.47Å; T197-S199 VanDerWaalsContact CB-OG 3.31Å; T197-S199 WeakPolarHBondContact CB-OG 3.29Å; T197-S199 PolarHBondContact O-N 2.87Å; T197-S199 PolarHBondContact OG1-OG 2.72Å; S199-S227 WeakPolarHBondContact O-CA 3.31Å; S199-S227 VanDerWaalsContact O-CB 3.28Å; S199-S227 WeakPolarHBondContact O-CB 3.46Å; S199-S227 PolarHBondContact O-OG 2.86Å
200G90.3Very high93.1Very high27 Ų2739.2 Ų39.228%0.27821%0.214SC..SBendtrans86.417.5176.900000115T197 N198 S223 H224T197-G200 PolarHBondContact O-N 3.09Å; N198-G200 PolarHBondContact O-N 3.28Å; G200-S223 CarbonylContact O-C 3.57Å; G200-S223 WeakPolarHBondContact O-CA 3.37Å; G200-H224 PolarHBondContact O-N 3.01Å
201V89.9Confident92.9Very high8 Ų837.8 Ų37.85%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-95133.1172.5-177.70000109.5P130 V196 T197 M203P130-V201 HydrophobicContact CB-CG2 4Å; P130-V201 HydrophobicContact CG-CB 4.38Å; P130-V201 HydrophobicContact CG-CG2 3.91Å; V196-V201 CarbonylContact C-O 3.59Å; V196-V201 WeakPolarHBondContact CA-O 3.28Å; T197-V201 HydrophobicContact CG2-CB 4.43Å; T197-V201 PolarHBondContact N-O 3.4Å; T197-V201 WeakPolarHBondContact OG1-CA 3.34Å; T197-V201 WeakPolarHBondContact OG1-CB 2.92Å; T197-V201 PolarHBondContact OG1-N 2.78Å; T197-V201 PolarHBondContact OG1-O 2.95Å; T197-V201 VanDerWaalsContact OG1-O 3.09Å; V201-M203 HydrophobicContact CG1-CE 3.78Å; V201-M203 HydrophobicContact CG1-CG 4.05Å; V201-M203 HydrophobicContact CG1-SD 3.92Å
202S91.7Very high92.9Very high45 Ų4542.1 Ų42.132%0.31524%0.244SC..EExtended strand (participates in β ladder)trans-124.6137.8169.957.60000110.7L195 D221 A222L195-S202 CarbonylContact O-C 3.52Å; L195-S202 VanDerWaalsContact O-CA 3.31Å; L195-S202 WeakPolarHBondContact O-CA 3.41Å; S202-D221 CarbonylContact O-C 3.53Å; S202-D221 WeakPolarHBondContact O-CA 3.38Å; S202-A222 PolarHBondContact N-O 2.76Å; S202-A222 PolarHBondContact O-N 3.01Å; S202-A222 VanDerWaalsContact O-O 3.14Å; S202-A222 PolarHBondContact OG-O 3.07Å
203M91.5Very high92.9Very high11 Ų1141.9 Ų41.95%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-142.8146.8-177.8-68.3163.8-60.700111.5F129 M194 L195 V201 H220 D221 L234F129-M203 HydrophobicContact CE1-CE 3.75Å; F129-M203 HydrophobicContact CZ-CE 3.74Å; F129-M203 HydrophobicContact CZ-SD 3.96Å; M194-M203 WeakPolarHBondContact CA-O 3.42Å; L195-M203 HydrophobicContact CB-CE 4.34Å; L195-M203 HydrophobicContact CD2-CE 3.83Å; L195-M203 HydrophobicContact CG-CE 4.47Å; L195-M203 PolarHBondContact N-O 2.77Å; L195-M203 PolarHBondContact O-N 2.74Å; V201-M203 HydrophobicContact CG1-CE 3.78Å; V201-M203 HydrophobicContact CG1-CG 4.05Å; V201-M203 HydrophobicContact CG1-SD 3.92Å; M203-H220 CarbonylContact C-O 3.55Å; M203-H220 VanDerWaalsContact CA-O 3.31Å; M203-H220 WeakPolarHBondContact CA-O 3.19Å; M203-D221 HydrophobicContact CG-CB 3.82Å; M203-L234 HydrophobicContact CE-CD1 3.43Å; M203-L234 VanDerWaalsContact CE-CD1 3.43Å; M203-L234 HydrophobicContact SD-CB 3.8Å; M203-L234 HydrophobicContact SD-CD1 3.52Å; M203-L234 VanDerWaalsContact SD-CD1 3.52Å; M203-L234 HydrophobicContact SD-CG 4.17Å
204L93.9Very high92.9Very high45 Ų4541.7 Ų41.724%0.23624%0.242CC..EExtended strand (participates in β ladder)trans-120.2124.9165.1173.668.7000108.2A192 M194 V219 H220A192-L204 HydrophobicContact CB-CD1 4.48Å; M194-L204 HydrophobicContact CB-CD1 4.42Å; M194-L204 HydrophobicContact CE-CD1 4.46Å; L204-V219 PolarHBondContact O-N 2.9Å; L204-H220 HydrophobicContact CB-CB 4.22Å; L204-H220 PolarHBondContact N-O 2.79Å; L204-H220 PolarHBondContact O-N 2.93Å; L204-H220 VanDerWaalsContact O-N 3.14Å
205Q94.8Very high92.8Very high3 Ų345 Ų451%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-119.5144.6176.3-46.3-172.8-65.800109.8A192 F193 L216 R217 T218 H238A192-Q205 CarbonylContact C-O 3.52Å; A192-Q205 VanDerWaalsContact CA-O 3.31Å; A192-Q205 WeakPolarHBondContact CA-O 3.31Å; F193-Q205 PolarHBondContact N-O 3.4Å; F193-Q205 PolarHBondContact O-N 3.05Å; Q205-L216 HydrophobicContact CB-CB 3.9Å; Q205-L216 HydrophobicContact CB-CD1 4.39Å; Q205-R217 CarbonylContact C-O 3.55Å; Q205-R217 WeakPolarHBondContact CA-O 3.46Å; Q205-R217 WeakPolarHBondContact CB-O 3.38Å; Q205-T218 PolarHBondContact NE2-OG1 2.76Å; Q205-H238 PolarHBondContact OE1-ND1 2.84Å
206E95.4Very high92.9Very high84 Ų8444.7 Ų44.739%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-131.1152.8177.9-62.8-174.1163.800110.6V191 A192 L216 R217 V219V191-E206 CarbonylContact O-C 3.49Å; V191-E206 WeakPolarHBondContact O-CA 3.4Å; A192-E206 HydrophobicContact CB-CG 4.47Å; E206-L216 WeakPolarHBondContact O-CA 3.29Å; E206-R217 PolarHBondContact N-O 2.8Å; E206-R217 WeakPolarHBondContact O-CG 2.99Å; E206-R217 PolarHBondContact O-N 2.84Å; E206-V219 HydrophobicContact CB-CG2 3.79Å; E206-V219 HydrophobicContact CG-CG2 3.82Å
207G94.8Very high92.8Very high11 Ų1149.3 Ų49.311%0.11326%0.259CS..EExtended strand (participates in β ladder)trans171.8-139172.600000112.5Q190 V191 R215Q190-G207 CarbonylContact C-O 3.53Å; Q190-G207 WeakPolarHBondContact CA-O 3.37Å; V191-G207 PolarHBondContact N-O 2.96Å; V191-G207 PolarHBondContact O-N 2.85Å; G207-R215 CarbonylContact C-O 3.57Å; G207-R215 VanDerWaalsContact CA-O 3.23Å; G207-R215 WeakPolarHBondContact CA-O 3.27Å
208Y94Very high92.7Very high110 Ų11049.8 Ų49.843%0.43126%0.261SS..EExtended strand (participates in β ladder)trans-138138.9-165.6-60.6-87.4000113.3R189 Q190 I214 R215R189-Y208 CarbonylContact O-C 3.53Å; R189-Y208 VanDerWaalsContact O-CA 3.3Å; R189-Y208 WeakPolarHBondContact O-CA 3.3Å; Q190-Y208 HydrophobicContact CG-CD1 4.09Å; Q190-Y208 HydrophobicContact CG-CE1 3.6Å; Y208-I214 WeakPolarHBondContact O-CA 3.3Å; Y208-R215 PolarHBondContact N-O 3.44Å; Y208-R215 PolarHBondContact O-N 2.86Å
209L92.5Very high92.7Very high4 Ų449.1 Ų49.12%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-83.5120.8164.7174.864.7000109.2L111 L112 S188 R189 V191 A213 I214 W242L111-L209 HydrophobicContact CB-CD2 4.04Å; L111-L209 HydrophobicContact CD1-CD2 4.11Å; L112-L209 HydrophobicContact CD2-CD1 4.01Å; L112-L209 HydrophobicContact CD2-CD2 4.08Å; S188-L209 WeakPolarHBondContact CA-O 3.38Å; R189-L209 HydrophobicContact CB-CB 4.25Å; R189-L209 PolarHBondContact N-O 2.82Å; R189-L209 PolarHBondContact O-N 2.76Å; V191-L209 HydrophobicContact CG2-CB 3.74Å; L209-A213 WeakPolarHBondContact CA-O 3.26Å; L209-I214 HydrophobicContact CB-CG1 4.41Å; L209-I214 HydrophobicContact CD1-CG1 3.73Å; L209-W242 HydrophobicContact CD1-CH2 3.54Å; L209-W242 HydrophobicContact CD1-CZ2 4.16Å
210I89.9Confident92.8Very high91 Ų9153.8 Ų53.847%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-133.1108178.5-54.1174.3000107.8N212 A213I210-N212 PolarHBondContact O-N 3.42Å; I210-A213 PolarHBondContact N-O 2.83Å; I210-A213 PolarHBondContact O-N 2.85Å; I210-A213 VanDerWaalsContact O-N 3.12Å
211G89Confident92.7Very high55 Ų5555.4 Ų55.457%0.56728%0.283SS*.THydrogen-bonded Turntrans60.7-122.7-173.500000111.3
212N92.8Very high92.6Very high95 Ų9556.9 Ų56.951%0.50830%0.296SS..THydrogen-bonded Turntrans-101.726.3178-59.2-8.9000112.5I210 E241 W242I210-N212 PolarHBondContact O-N 3.42Å; N212-E241 WeakPolarHBondContact O-CA 3.04Å; N212-W242 HydrophobicContact CB-CD2 4.42Å; N212-W242 HydrophobicContact CB-CZ2 4.44Å; N212-W242 WeakPolarHBondContact CB-O 3.48Å; N212-W242 VanDerWaalsContact O-CD2 3.32Å; N212-W242 WeakPolarHBondContact O-CZ3 3.49Å; N212-W242 PolarHBondContact O-N 2.99Å
213A94.9Very high92.5Very high16 Ų1658 Ų5813%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-131135.6178.500000111.1L209 I210 L240 E241L209-A213 WeakPolarHBondContact CA-O 3.26Å; I210-A213 PolarHBondContact N-O 2.83Å; I210-A213 PolarHBondContact O-N 2.85Å; I210-A213 VanDerWaalsContact O-N 3.12Å; A213-L240 CarbonylContact C-O 3.59Å; A213-L240 VanDerWaalsContact CA-O 3.25Å; A213-L240 WeakPolarHBondContact CA-O 3.23Å; A213-E241 HydrophobicContact CB-CB 4.43Å; A213-E241 HydrophobicContact CB-CG 4.39Å
214I95.2Very high92.4Very high0 Ų062.7 Ų62.70%033%0.325CS..EExtended strand (participates in β ladder)trans-106122.9167.6-62.4164.4000106.8L112 L115 L179 V191 Y208 L209 L216 T239 L240 W242L112-I214 HydrophobicContact CD2-CD1 4.01Å; L115-I214 HydrophobicContact CD2-CD1 4.17Å; L179-I214 HydrophobicContact CD1-CD1 4.47Å; L179-I214 HydrophobicContact CD2-CD1 3.84Å; V191-I214 HydrophobicContact CB-CG2 4.02Å; V191-I214 HydrophobicContact CG1-CD1 4.43Å; V191-I214 HydrophobicContact CG1-CG2 3.79Å; V191-I214 HydrophobicContact CG2-CG1 4.48Å; V191-I214 HydrophobicContact CG2-CG2 4.2Å; Y208-I214 WeakPolarHBondContact O-CA 3.3Å; L209-I214 HydrophobicContact CB-CG1 4.41Å; L209-I214 HydrophobicContact CD1-CG1 3.73Å; I214-L216 HydrophobicContact CG2-CD1 4.18Å; I214-L216 HydrophobicContact CG2-CD2 3.64Å; I214-L216 HydrophobicContact CG2-CG 3.71Å; I214-T239 CarbonylContact O-C 3.54Å; I214-T239 VanDerWaalsContact O-CA 3.3Å; I214-T239 WeakPolarHBondContact O-CA 3.35Å; I214-L240 HydrophobicContact CB-CB 4.39Å; I214-L240 PolarHBondContact N-O 2.64Å; I214-L240 PolarHBondContact O-N 3.22Å; I214-W242 HydrophobicContact CB-CZ3 4.49Å; I214-W242 HydrophobicContact CD1-CH2 3.96Å; I214-W242 HydrophobicContact CD1-CZ3 3.83Å; I214-W242 HydrophobicContact CG1-CH2 3.83Å; I214-W242 HydrophobicContact CG1-CZ3 3.75Å
215R94.6Very high92Very high144 Ų14466.1 Ų66.154%0.54335%0.35SS..EExtended strand (participates in β ladder)trans-108.5121.5173.8-64.7-179.3-179.4176.8-0.6108.7G207 Y208 T239G207-R215 CarbonylContact C-O 3.57Å; G207-R215 VanDerWaalsContact CA-O 3.23Å; G207-R215 WeakPolarHBondContact CA-O 3.27Å; Y208-R215 PolarHBondContact N-O 3.44Å; Y208-R215 PolarHBondContact O-N 2.86Å; R215-T239 HydrophobicContact CG-CG2 4.25Å
216L95Very high91.6Very high3 Ų375.6 Ų75.62%0.01639%0.387CS..EExtended strand (participates in β ladder)trans-120.4149.8-175.9-57.1166.9000109.7V191 F193 Q205 E206 I214 M237 H238 L240V191-L216 HydrophobicContact CB-CD2 4.33Å; V191-L216 HydrophobicContact CG1-CD2 4.18Å; F193-L216 HydrophobicContact CB-CD1 3.65Å; F193-L216 HydrophobicContact CB-CD2 4.41Å; F193-L216 HydrophobicContact CD1-CD1 3.88Å; F193-L216 HydrophobicContact CG-CD1 4.16Å; Q205-L216 HydrophobicContact CB-CB 3.9Å; Q205-L216 HydrophobicContact CB-CD1 4.39Å; E206-L216 WeakPolarHBondContact O-CA 3.29Å; I214-L216 HydrophobicContact CG2-CD1 4.18Å; I214-L216 HydrophobicContact CG2-CD2 3.64Å; I214-L216 HydrophobicContact CG2-CG 3.71Å; L216-M237 WeakPolarHBondContact O-CA 3.43Å; L216-H238 WeakPolarHBondContact CA-O 3.35Å; L216-H238 HydrophobicContact CB-CB 4.26Å; L216-H238 WeakPolarHBondContact CB-O 3.34Å; L216-H238 PolarHBondContact N-O 2.86Å; L216-H238 PolarHBondContact O-N 2.99Å; L216-L240 HydrophobicContact CD1-CD1 3.69Å
217R93.1Very high91.1Very high166 Ų16673 Ų7363%0.62638%0.378SS*.EExtended strand (participates in β ladder)trans-124147.9165.460.9176.8-177.1177.73.8108.9Q205 E206 V219Q205-R217 CarbonylContact C-O 3.55Å; Q205-R217 WeakPolarHBondContact CA-O 3.46Å; Q205-R217 WeakPolarHBondContact CB-O 3.38Å; E206-R217 PolarHBondContact N-O 2.8Å; E206-R217 WeakPolarHBondContact O-CG 2.99Å; E206-R217 PolarHBondContact O-N 2.84Å; R217-V219 PolarHBondContact O-N 2.8Å
218T91.1Very high90.4Very high25 Ų2580.7 Ų80.715%0.15340%0.403CS..EExtended strand (participates in β ladder)trans-73.5125.9175.6-66.60000109.9Q205 D221 L234Q205-T218 PolarHBondContact NE2-OG1 2.76Å; T218-D221 HydrophobicContact CG2-CB 4.03Å; T218-L234 WeakPolarHBondContact CB-O 3.42Å; T218-L234 PolarHBondContact OG1-O 3.1Å
219V92.7Very high89.8Confident75 Ų7577.4 Ų77.446%0.45540%0.396SS..EExtended strand (participates in β ladder)trans-103.8-32178178.90000110.3L204 E206 R217L204-V219 PolarHBondContact O-N 2.9Å; E206-V219 HydrophobicContact CB-CG2 3.79Å; E206-V219 HydrophobicContact CG-CG2 3.82Å; R217-V219 PolarHBondContact O-N 2.8Å
220H91Very high88.8Confident111 Ų11183 Ų8351%0.51442%0.422SS..EExtended strand (participates in β ladder)trans-146131.8175.7-176.370.7000109.8M203 L204M203-H220 CarbonylContact C-O 3.55Å; M203-H220 VanDerWaalsContact CA-O 3.31Å; M203-H220 WeakPolarHBondContact CA-O 3.19Å; L204-H220 HydrophobicContact CB-CB 4.22Å; L204-H220 PolarHBondContact N-O 2.79Å; L204-H220 PolarHBondContact O-N 2.93Å; L204-H220 VanDerWaalsContact O-N 3.14Å
221D88.7Confident87.6Confident62 Ų6279.6 Ų79.633%0.33241%0.405SS..EExtended strand (participates in β ladder)trans-128.6143.8168.364.8-37.7000109.8S202 M203 T218 R235S202-D221 CarbonylContact O-C 3.53Å; S202-D221 WeakPolarHBondContact O-CA 3.38Å; M203-D221 HydrophobicContact CG-CB 3.82Å; T218-D221 HydrophobicContact CG2-CB 4.03Å; D221-R235 IonicContact OD2-CZ 3.23Å; D221-R235 IonicContact OD2-NE 3.03Å; D221-R235 PolarHBondContact OD2-NE 3.09Å; D221-R235 VanDerWaalsContact OD2-NE 3.08Å; D221-R235 IonicContact OD2-NH2 2.69Å; D221-R235 PolarHBondContact OD2-NH2 2.73Å
222A89.1Confident86.4Confident39 Ų3979.5 Ų79.532%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-139.8145.717000000109.4S202S202-A222 PolarHBondContact N-O 2.76Å; S202-A222 PolarHBondContact O-N 3.01Å; S202-A222 VanDerWaalsContact O-O 3.14Å; S202-A222 PolarHBondContact OG-O 3.07Å
223S88Confident84.8Confident67 Ų6776.9 Ų76.947%0.46938%0.378SS..EExtended strand (participates in β ladder)trans-125.8133.8175.8-66.90000108.8G200G200-S223 CarbonylContact O-C 3.57Å; G200-S223 WeakPolarHBondContact O-CA 3.37Å
224H89.2Confident83.4Confident111 Ų11176.3 Ų76.351%0.51437%0.373SS..  trans-58143.6171.1-168.6-103.1000109.4G200 Y226 S227G200-H224 PolarHBondContact O-N 3.01Å; H224-Y226 AromaticContact CE1-CD2 3.65Å; H224-Y226 AromaticContact ND1-CD2 3.95Å; H224-Y226 PolarHBondContact ND1-N 2.97Å; H224-Y226 PolarHBondContact O-N 3.25Å; H224-S227 WeakPolarHBondContact O-CB 3.4Å; H224-S227 PolarHBondContact O-N 2.69Å
225P87.4Confident82.2Confident116 Ų11682.6 Ų82.675%0.75340%0.397SS*.THydrogen-bonded Turntrans-55.6-28.9-177.5-28.936000114.5
226Y86.2Confident81.5Confident203 Ų20380.1 Ų80.180%0.79639%0.391SS*.THydrogen-bonded Turntrans-10018.5176.7-55-68.6000113.5H224H224-Y226 AromaticContact CE1-CD2 3.65Å; H224-Y226 AromaticContact ND1-CD2 3.95Å; H224-Y226 PolarHBondContact ND1-N 2.97Å; H224-Y226 PolarHBondContact O-N 3.25Å
227S85Confident81.2Confident28 Ų2883.3 Ų83.320%0.19641%0.407CS..  trans-63.9136.1176.5-1770000110.3S199 H224 S229S199-S227 WeakPolarHBondContact O-CA 3.31Å; S199-S227 VanDerWaalsContact O-CB 3.28Å; S199-S227 WeakPolarHBondContact O-CB 3.46Å; S199-S227 PolarHBondContact O-OG 2.86Å; H224-S227 WeakPolarHBondContact O-CB 3.4Å; H224-S227 PolarHBondContact O-N 2.69Å; S227-S229 PolarHBondContact O-N 2.88Å; S227-S229 WeakPolarHBondContact OG-CB 3.34Å; S227-S229 PolarHBondContact OG-N 2.78Å
228R80Confident81.1Confident174 Ų17475.6 Ų75.666%0.65738%0.378SS*.  trans-85.411.6172.3-66.6-169.8-70.8166-0.8113V131 E230V131-R228 HydrophobicContact CG2-CB 4.22Å; V131-R228 WeakPolarHBondContact CG2-O 3.47Å; R228-E230 WeakPolarHBondContact O-CG 3.36Å; R228-E230 PolarHBondContact O-N 3.23Å
229S80.2Confident81.3Confident40 Ų4075.2 Ų75.228%0.2838%0.376SS..  trans-54.5121.6-178.7-172.40000110.9S227S227-S229 PolarHBondContact O-N 2.88Å; S227-S229 WeakPolarHBondContact OG-CB 3.34Å; S227-S229 PolarHBondContact OG-N 2.78Å
230E71Confident81.4Confident122 Ų12271.8 Ų71.857%0.5736%0.355SS*.  trans-99.6-1.5-178.6-58.5-179.2165.700111.8P130 N132 R228P130-E230 PolarHBondContact O-N 3.34Å; P130-E230 VanDerWaalsContact O-N 3.1Å; N132-E230 PolarHBondContact ND2-OE2 3.2Å; R228-E230 WeakPolarHBondContact O-CG 3.36Å; R228-E230 PolarHBondContact O-N 3.23Å
231Q66.3Low81.7Confident20 Ų2070.3 Ų70.39%0.09335%0.348CS..  trans-139.5112.4-141.4-80.5-130.7-13.300110.9H128 F129 P130 N132 F233H128-Q231 VanDerWaalsContact O-CD 3.29Å; H128-Q231 PolarHBondContact O-NE2 3.49Å; H128-Q231 PolarHBondContact O-OE1 3.17Å; F129-Q231 HydrophobicContact CD2-CB 4.19Å; F129-Q231 HydrophobicContact CE2-CB 4.47Å; P130-Q231 VanDerWaalsContact O-CB 3.23Å; P130-Q231 WeakPolarHBondContact O-CB 3.42Å; P130-Q231 WeakPolarHBondContact O-CG 3.15Å; N132-Q231 PolarHBondContact ND2-NE2 3.45Å; N132-Q231 PolarHBondContact OD1-NE2 2.84Å; Q231-F233 VanDerWaalsContact CA-CD2 3.47Å; Q231-F233 HydrophobicContact CB-CD2 3.21Å; Q231-F233 HydrophobicContact CB-CE2 3.42Å; Q231-F233 VanDerWaalsContact CB-CE2 3.42Å; Q231-F233 HydrophobicContact CB-CG 4.43Å; Q231-F233 HydrophobicContact CG-CD2 3.52Å; Q231-F233 HydrophobicContact CG-CE2 3.19Å; Q231-F233 HydrophobicContact CG-CZ 4.28Å; Q231-F233 PolarHBondContact O-N 2.86Å
232P63.8Low82Confident53 Ų5367.6 Ų67.634%0.34433%0.333SS..  trans-82.14.6174.733.2-34.4000114L234 R235P232-L234 PolarHBondContact O-N 3.18Å; P232-R235 PolarHBondContact O-N 2.81Å; P232-R235 VanDerWaalsContact O-N 3.07Å
233F58.1Low82Confident39 Ų3968.2 Ų68.217%0.17133%0.331CS..THydrogen-bonded Turntrans-54.7-10.7-160.8-65.1-97.3000117F129 Q231 D253 L259F129-F233 HydrophobicContact CD2-CB 3.93Å; F129-F233 HydrophobicContact CE2-CB 4.47Å; Q231-F233 VanDerWaalsContact CA-CD2 3.47Å; Q231-F233 HydrophobicContact CB-CD2 3.21Å; Q231-F233 HydrophobicContact CB-CE2 3.42Å; Q231-F233 VanDerWaalsContact CB-CE2 3.42Å; Q231-F233 HydrophobicContact CB-CG 4.43Å; Q231-F233 HydrophobicContact CG-CD2 3.52Å; Q231-F233 HydrophobicContact CG-CE2 3.19Å; Q231-F233 HydrophobicContact CG-CZ 4.28Å; Q231-F233 PolarHBondContact O-N 2.86Å; F233-D253 HydrophobicContact CD1-CB 4.31Å; F233-L259 HydrophobicContact CD1-CD1 3.46Å; F233-L259 VanDerWaalsContact CD1-CD1 3.46Å; F233-L259 HydrophobicContact CD1-CG 4.32Å; F233-L259 HydrophobicContact CE1-CD1 3.3Å; F233-L259 HydrophobicContact CE1-CG 4.28Å; F233-L259 HydrophobicContact CZ-CD1 4.31Å
234L65.2Low81.9Confident5 Ų567.1 Ų67.13%0.02633%0.33CS..THydrogen-bonded Turntrans-104.12.2-178.8-63.1-164.6000114.6F129 M203 T218 P232 Y251F129-L234 HydrophobicContact CD1-CD1 3.74Å; F129-L234 HydrophobicContact CD1-CG 4.14Å; F129-L234 HydrophobicContact CD2-CD1 4.4Å; F129-L234 HydrophobicContact CD2-CG 3.96Å; F129-L234 HydrophobicContact CE1-CD1 3.12Å; F129-L234 HydrophobicContact CE1-CG 3.74Å; F129-L234 HydrophobicContact CE2-CB 4.28Å; F129-L234 HydrophobicContact CE2-CD1 3.87Å; F129-L234 HydrophobicContact CE2-CG 3.51Å; F129-L234 HydrophobicContact CG-CD1 4.35Å; F129-L234 HydrophobicContact CG-CG 4.26Å; F129-L234 HydrophobicContact CZ-CB 4.2Å; F129-L234 HydrophobicContact CZ-CD1 3.19Å; F129-L234 HydrophobicContact CZ-CG 3.39Å; M203-L234 HydrophobicContact CE-CD1 3.43Å; M203-L234 VanDerWaalsContact CE-CD1 3.43Å; M203-L234 HydrophobicContact SD-CB 3.8Å; M203-L234 HydrophobicContact SD-CD1 3.52Å; M203-L234 VanDerWaalsContact SD-CD1 3.52Å; M203-L234 HydrophobicContact SD-CG 4.17Å; T218-L234 WeakPolarHBondContact CB-O 3.42Å; T218-L234 PolarHBondContact OG1-O 3.1Å; P232-L234 PolarHBondContact O-N 3.18Å; L234-Y251 HydrophobicContact CD2-CD1 2.91Å; L234-Y251 HydrophobicContact CD2-CE1 3.16Å; L234-Y251 HydrophobicContact CD2-CG 3.68Å; L234-Y251 HydrophobicContact CG-CD1 4.41Å
235R71.4Confident82.1Confident132 Ų13267.6 Ų67.650%0.49834%0.337SS..SBendtrans-73.9-32.3-171.9-74.7-178.6171.5178.8-1.9114.4D221 P232 D254D221-R235 IonicContact OD2-CZ 3.23Å; D221-R235 IonicContact OD2-NE 3.03Å; D221-R235 PolarHBondContact OD2-NE 3.09Å; D221-R235 VanDerWaalsContact OD2-NE 3.08Å; D221-R235 IonicContact OD2-NH2 2.69Å; D221-R235 PolarHBondContact OD2-NH2 2.73Å; P232-R235 PolarHBondContact O-N 2.81Å; P232-R235 VanDerWaalsContact O-N 3.07Å; R235-D254 VanDerWaalsContact CB-OD1 3.28Å; R235-D254 WeakPolarHBondContact CB-OD1 3.32Å
236E78.9Confident82.4Confident91 Ų9166 Ų6643%0.42532%0.315SS..SBendtrans-88.3-82.2-177.9-163.5-168.8-16700112.4K252E236-K252 HydrophobicContact CB-CB 4.27Å; E236-K252 WeakPolarHBondContact CB-O 3.43Å; E236-K252 WeakPolarHBondContact OE2-CB 3.31Å
237M88.9Confident82.9Confident71 Ų7156.3 Ų56.335%0.3528%0.278SS..EExtended strand (participates in β ladder)trans-134.8130-171.5-170177.8-61.400111.4L216 Y251 K252L216-M237 WeakPolarHBondContact O-CA 3.43Å; M237-Y251 CarbonylContact O-C 3.55Å; M237-Y251 WeakPolarHBondContact O-CA 3.28Å; M237-K252 HydrophobicContact CB-CB 4.23Å; M237-K252 HydrophobicContact CB-CD 4.3Å; M237-K252 HydrophobicContact CB-CG 4.34Å; M237-K252 PolarHBondContact O-N 2.89Å
238H92.1Very high83.5Confident3 Ų357.8 Ų57.81%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-117.6121.5170.6173.4-159.3000109.1F193 Q205 L216 L240 S250 Y251F193-H238 AromaticContact CD1-CE1 3.95Å; F193-H238 AromaticContact CE1-CE1 3.78Å; Q205-H238 PolarHBondContact OE1-ND1 2.84Å; L216-H238 WeakPolarHBondContact CA-O 3.35Å; L216-H238 HydrophobicContact CB-CB 4.26Å; L216-H238 WeakPolarHBondContact CB-O 3.34Å; L216-H238 PolarHBondContact N-O 2.86Å; L216-H238 PolarHBondContact O-N 2.99Å; H238-L240 VanDerWaalsContact CE1-CD1 3.44Å; H238-L240 WeakPolarHBondContact CE1-CD1 3.31Å; H238-L240 WeakPolarHBondContact NE2-CD1 3.49Å; H238-S250 CarbonylContact C-O 3.59Å; H238-S250 WeakPolarHBondContact CA-O 3.43Å; H238-S250 PolarHBondContact CD2-O 2.89Å; H238-Y251 HydrophobicContact CB-CD1 4.04Å; H238-Y251 HydrophobicContact CB-CE1 4.25Å; H238-Y251 AromaticContact CD2-CD1 3.47Å; H238-Y251 VanDerWaalsContact CD2-CD1 3.47Å; H238-Y251 WeakPolarHBondContact CD2-CD1 3.3Å; H238-Y251 AromaticContact CD2-CE1 3.07Å; H238-Y251 WeakPolarHBondContact CD2-CE1 3.37Å; H238-Y251 AromaticContact CD2-CZ 3.93Å; H238-Y251 AromaticContact CE1-CE1 3.73Å; H238-Y251 AromaticContact CG-CD1 3.79Å; H238-Y251 AromaticContact CG-CE1 3.52Å; H238-Y251 AromaticContact ND1-CE1 3.89Å; H238-Y251 AromaticContact NE2-CE1 3.25Å; H238-Y251 VanDerWaalsContact NE2-CE1 3.25Å; H238-Y251 WeakPolarHBondContact NE2-CE1 3.48Å; H238-Y251 AromaticContact NE2-CZ 3.73Å
239T94.4Very high84.1Confident18 Ų1849.5 Ų49.511%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-114.6129.9177.7-56.50000110.4I214 R215 Q249 S250I214-T239 CarbonylContact O-C 3.54Å; I214-T239 VanDerWaalsContact O-CA 3.3Å; I214-T239 WeakPolarHBondContact O-CA 3.35Å; R215-T239 HydrophobicContact CG-CG2 4.25Å; T239-Q249 CarbonylContact O-C 3.58Å; T239-Q249 VanDerWaalsContact O-CA 3.3Å; T239-Q249 WeakPolarHBondContact O-CA 3.29Å; T239-S250 PolarHBondContact N-O 2.95Å; T239-S250 PolarHBondContact O-N 2.83Å
240L95.4Very high84.7Confident3 Ų347.9 Ų47.92%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-108.1114.9165.2-62.180.7000107.5A213 I214 L216 H238 L247 Q249A213-L240 CarbonylContact C-O 3.59Å; A213-L240 VanDerWaalsContact CA-O 3.25Å; A213-L240 WeakPolarHBondContact CA-O 3.23Å; I214-L240 HydrophobicContact CB-CB 4.39Å; I214-L240 PolarHBondContact N-O 2.64Å; I214-L240 PolarHBondContact O-N 3.22Å; L216-L240 HydrophobicContact CD1-CD1 3.69Å; H238-L240 VanDerWaalsContact CE1-CD1 3.44Å; H238-L240 WeakPolarHBondContact CE1-CD1 3.31Å; H238-L240 WeakPolarHBondContact NE2-CD1 3.49Å; L240-L247 HydrophobicContact CB-CD1 4.28Å; L240-Q249 HydrophobicContact CG-CG 4.35Å
241E96.1Very high85.5Confident80 Ų8042.6 Ų42.637%0.37421%0.213SC..EExtended strand (participates in β ladder)trans-118.7138.8176.3-174.5-176.9-17300108.6N212 A213 W246 L247 K248N212-E241 WeakPolarHBondContact O-CA 3.04Å; A213-E241 HydrophobicContact CB-CB 4.43Å; A213-E241 HydrophobicContact CB-CG 4.39Å; E241-W246 HydrophobicContact CB-CZ3 4.14Å; E241-W246 HydrophobicContact CG-CH2 3.77Å; E241-W246 HydrophobicContact CG-CZ3 3.87Å; E241-W246 VanDerWaalsContact O-CZ3 3.31Å; E241-W246 WeakPolarHBondContact O-CZ3 3.44Å; E241-L247 CarbonylContact O-C 3.54Å; E241-L247 WeakPolarHBondContact O-CA 3.37Å; E241-K248 HydrophobicContact CB-CB 4.47Å; E241-K248 PolarHBondContact N-O 2.81Å; E241-K248 PolarHBondContact O-N 3.06Å
242W95.4Very high86.4Confident4 Ų444.6 Ų44.62%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-140158.2179.763.490.5000113.1L112 L115 L209 N212 I214 W246 L247L112-W242 HydrophobicContact CD2-CH2 3.57Å; L112-W242 HydrophobicContact CD2-CZ2 3.79Å; L115-W242 HydrophobicContact CB-CD2 4.27Å; L115-W242 HydrophobicContact CD1-CB 4.46Å; L115-W242 HydrophobicContact CD1-CD2 4.18Å; L115-W242 HydrophobicContact CD1-CE3 4.02Å; L115-W242 HydrophobicContact CD1-CG 4.38Å; L115-W242 HydrophobicContact CD2-CE3 4.28Å; L115-W242 HydrophobicContact CD2-CH2 4.43Å; L115-W242 HydrophobicContact CD2-CZ3 4.14Å; L209-W242 HydrophobicContact CD1-CH2 3.54Å; L209-W242 HydrophobicContact CD1-CZ2 4.16Å; N212-W242 HydrophobicContact CB-CD2 4.42Å; N212-W242 HydrophobicContact CB-CZ2 4.44Å; N212-W242 WeakPolarHBondContact CB-O 3.48Å; N212-W242 VanDerWaalsContact O-CD2 3.32Å; N212-W242 WeakPolarHBondContact O-CZ3 3.49Å; N212-W242 PolarHBondContact O-N 2.99Å; I214-W242 HydrophobicContact CB-CZ3 4.49Å; I214-W242 HydrophobicContact CD1-CH2 3.96Å; I214-W242 HydrophobicContact CD1-CZ3 3.83Å; I214-W242 HydrophobicContact CG1-CH2 3.83Å; I214-W242 HydrophobicContact CG1-CZ3 3.75Å; W242-W246 VanDerWaalsContact CA-O 3.29Å; W242-W246 WeakPolarHBondContact CA-O 3.35Å; W242-W246 WeakPolarHBondContact CB-O 3.47Å; W242-L247 HydrophobicContact CB-CD1 4.23Å
243N89.9Confident87Confident53 Ų5342.5 Ų42.528%0.28321%0.207SC..  trans-125.7-176.6153.978.36.2000109.2N245 W246N243-N245 PolarHBondContact O-N 2.55Å; N243-N245 WeakPolarHBondContact OD1-CA 3.24Å; N243-N245 PolarHBondContact OD1-N 3.03Å; N243-W246 HydrophobicContact CB-CZ2 4.31Å; N243-W246 VanDerWaalsContact CG-CD1 3.42Å; N243-W246 VanDerWaalsContact CG-CE2 3.5Å; N243-W246 VanDerWaalsContact CG-NE1 3.29Å; N243-W246 PolarHBondContact N-O 2.81Å; N243-W246 PolarHBondContact ND2-NE1 2.78Å; N243-W246 VanDerWaalsContact OD1-CG 3.31Å; N243-W246 PolarHBondContact OD1-N 2.99Å
244G85.1Confident87.9Confident44 Ų4445.1 Ų45.145%0.45422%0.223SC..SBendtrans-58.6-15.8-179.700000115.2K265G244-K265 VanDerWaalsContact O-CD 3.22Å; G244-K265 WeakPolarHBondContact O-CD 3.47Å
245N92.2Very high88.6Confident120 Ų12051.4 Ų51.464%0.64226%0.256SS*.SBendtrans-119-29.1-170.8-62.1-22.2000114N243 K265N243-N245 PolarHBondContact O-N 2.55Å; N243-N245 WeakPolarHBondContact OD1-CA 3.24Å; N243-N245 PolarHBondContact OD1-N 3.03Å; N245-K265 PolarHBondContact O-N 3.01Å
246W95.4Very high89Confident82 Ų8247.1 Ų47.131%0.31125%0.253SS..EExtended strand (participates in β ladder)trans-131.6151.4-179.461.5-110.5000112.6E241 W242 N243 K248 T262 Y263E241-W246 HydrophobicContact CB-CZ3 4.14Å; E241-W246 HydrophobicContact CG-CH2 3.77Å; E241-W246 HydrophobicContact CG-CZ3 3.87Å; E241-W246 VanDerWaalsContact O-CZ3 3.31Å; E241-W246 WeakPolarHBondContact O-CZ3 3.44Å; W242-W246 VanDerWaalsContact CA-O 3.29Å; W242-W246 WeakPolarHBondContact CA-O 3.35Å; W242-W246 WeakPolarHBondContact CB-O 3.47Å; N243-W246 HydrophobicContact CB-CZ2 4.31Å; N243-W246 VanDerWaalsContact CG-CD1 3.42Å; N243-W246 VanDerWaalsContact CG-CE2 3.5Å; N243-W246 VanDerWaalsContact CG-NE1 3.29Å; N243-W246 PolarHBondContact N-O 2.81Å; N243-W246 PolarHBondContact ND2-NE1 2.78Å; N243-W246 VanDerWaalsContact OD1-CG 3.31Å; N243-W246 PolarHBondContact OD1-N 2.99Å; W246-K248 HydrophobicContact CE3-CB 3.85Å; W246-K248 HydrophobicContact CZ3-CB 3.61Å; W246-T262 HydrophobicContact CB-CG2 4.12Å; W246-Y263 WeakPolarHBondContact CA-O 3.11Å; W246-Y263 WeakPolarHBondContact CB-O 3.28Å
247L96.9Very high89.1Confident0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-123120.4169.6164.863.9000107.2L115 W119 I144 L240 E241 W242 Q249 T262 Y263L115-L247 HydrophobicContact CD1-CD1 3.64Å; L115-L247 HydrophobicContact CD1-CD2 4.06Å; L115-L247 HydrophobicContact CD1-CG 4.39Å; W119-L247 HydrophobicContact CB-CD2 4.3Å; W119-L247 HydrophobicContact CD2-CB 3.68Å; W119-L247 HydrophobicContact CD2-CD2 4.02Å; W119-L247 HydrophobicContact CE3-CB 3.53Å; W119-L247 HydrophobicContact CG-CB 4.28Å; W119-L247 HydrophobicContact CG-CD2 3.81Å; W119-L247 HydrophobicContact CH2-CB 4.15Å; W119-L247 HydrophobicContact CZ2-CB 4.29Å; W119-L247 HydrophobicContact CZ3-CB 3.79Å; I144-L247 HydrophobicContact CD1-CD2 4.39Å; L240-L247 HydrophobicContact CB-CD1 4.28Å; E241-L247 CarbonylContact O-C 3.54Å; E241-L247 WeakPolarHBondContact O-CA 3.37Å; W242-L247 HydrophobicContact CB-CD1 4.23Å; L247-Q249 HydrophobicContact CG-CG 4.44Å; L247-T262 CarbonylContact O-C 3.17Å; L247-Y263 HydrophobicContact CG-CD2 4.42Å; L247-Y263 PolarHBondContact N-O 3.25Å; L247-Y263 WeakPolarHBondContact O-CD2 3.39Å; L247-Y263 PolarHBondContact O-N 3.15Å
248K96.1Very high88.9Confident60 Ų6049.9 Ų49.926%0.26127%0.265SS..EExtended strand (participates in β ladder)trans-103.5119.9174.6-175.1-176.9176.2-170.10108.3E241 W246 Q261E241-K248 HydrophobicContact CB-CB 4.47Å; E241-K248 PolarHBondContact N-O 2.81Å; E241-K248 PolarHBondContact O-N 3.06Å; W246-K248 HydrophobicContact CE3-CB 3.85Å; W246-K248 HydrophobicContact CZ3-CB 3.61Å; K248-Q261 CarbonylContact C-O 3.52Å; K248-Q261 WeakPolarHBondContact CA-O 3.35Å
249Q93.7Very high88.6Confident0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-100.9127.8167.4-66.2-176.2-1800107.9T239 L240 L247 Y251 Y260 Q261 Y263T239-Q249 CarbonylContact O-C 3.58Å; T239-Q249 VanDerWaalsContact O-CA 3.3Å; T239-Q249 WeakPolarHBondContact O-CA 3.29Å; L240-Q249 HydrophobicContact CG-CG 4.35Å; L247-Q249 HydrophobicContact CG-CG 4.44Å; Q249-Y251 HydrophobicContact CB-CE2 4.21Å; Q249-Y251 PolarHBondContact OE1-OH 2.94Å; Q249-Y260 CarbonylContact O-C 3.59Å; Q249-Y260 WeakPolarHBondContact O-CA 3.27Å; Q249-Q261 PolarHBondContact N-O 2.98Å; Q249-Q261 PolarHBondContact O-N 2.91Å; Q249-Y263 HydrophobicContact CB-CE2 4.23Å; Q249-Y263 HydrophobicContact CG-CD2 4.5Å; Q249-Y263 HydrophobicContact CG-CE2 3.96Å; Q249-Y263 PolarHBondContact OE1-OH 3.11Å
250S91.4Very high88.4Confident5 Ų558.9 Ų58.94%0.03530%0.302CS..EExtended strand (participates in β ladder)trans-125.2146171.675.60000112.4H238 T239 E258 L259H238-S250 CarbonylContact C-O 3.59Å; H238-S250 WeakPolarHBondContact CA-O 3.43Å; H238-S250 PolarHBondContact CD2-O 2.89Å; T239-S250 PolarHBondContact N-O 2.95Å; T239-S250 PolarHBondContact O-N 2.83Å; S250-E258 WeakPolarHBondContact CB-OE1 3.49Å; S250-E258 PolarHBondContact OG-OE1 3.44Å; S250-L259 CarbonylContact C-O 3.56Å; S250-L259 WeakPolarHBondContact CA-O 3.35Å; S250-L259 WeakPolarHBondContact CB-O 3.05Å
251Y88.1Confident88.2Confident12 Ų1259.4 Ų59.45%0.04731%0.305CS..EExtended strand (participates in β ladder)trans-132.9125.4-172.5-56.4-66.6000108.5L234 M237 H238 Q249 E258 L259L234-Y251 HydrophobicContact CD2-CD1 2.91Å; L234-Y251 HydrophobicContact CD2-CE1 3.16Å; L234-Y251 HydrophobicContact CD2-CG 3.68Å; L234-Y251 HydrophobicContact CG-CD1 4.41Å; M237-Y251 CarbonylContact O-C 3.55Å; M237-Y251 WeakPolarHBondContact O-CA 3.28Å; H238-Y251 HydrophobicContact CB-CD1 4.04Å; H238-Y251 HydrophobicContact CB-CE1 4.25Å; H238-Y251 AromaticContact CD2-CD1 3.47Å; H238-Y251 VanDerWaalsContact CD2-CD1 3.47Å; H238-Y251 WeakPolarHBondContact CD2-CD1 3.3Å; H238-Y251 AromaticContact CD2-CE1 3.07Å; H238-Y251 WeakPolarHBondContact CD2-CE1 3.37Å; H238-Y251 AromaticContact CD2-CZ 3.93Å; H238-Y251 AromaticContact CE1-CE1 3.73Å; H238-Y251 AromaticContact CG-CD1 3.79Å; H238-Y251 AromaticContact CG-CE1 3.52Å; H238-Y251 AromaticContact ND1-CE1 3.89Å; H238-Y251 AromaticContact NE2-CE1 3.25Å; H238-Y251 VanDerWaalsContact NE2-CE1 3.25Å; H238-Y251 WeakPolarHBondContact NE2-CE1 3.48Å; H238-Y251 AromaticContact NE2-CZ 3.73Å; Q249-Y251 HydrophobicContact CB-CE2 4.21Å; Q249-Y251 PolarHBondContact OE1-OH 2.94Å; Y251-E258 CarbonylContact O-C 3.55Å; Y251-E258 WeakPolarHBondContact O-CA 3.4Å; Y251-L259 PolarHBondContact N-O 3.32Å; Y251-L259 PolarHBondContact O-N 2.91Å
252K85.9Confident88.2Confident62 Ų6258.6 Ų58.627%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-102.2127.8170.5-62.7-169.6174.5-169.90109.9E236 M237 Q257 E258E236-K252 HydrophobicContact CB-CB 4.27Å; E236-K252 WeakPolarHBondContact CB-O 3.43Å; E236-K252 WeakPolarHBondContact OE2-CB 3.31Å; M237-K252 HydrophobicContact CB-CB 4.23Å; M237-K252 HydrophobicContact CB-CD 4.3Å; M237-K252 HydrophobicContact CB-CG 4.34Å; M237-K252 PolarHBondContact O-N 2.89Å; K252-Q257 WeakPolarHBondContact CA-O 3.35Å; K252-E258 VanDerWaalsContact CE-OE2 3.26Å; K252-E258 WeakPolarHBondContact CE-OE2 3.42Å; K252-E258 HydrophobicContact CG-CB 4.09Å; K252-E258 HydrophobicContact CG-CG 4.07Å
253D76.7Confident88.3Confident9 Ų958.4 Ų58.45%0.04831%0.305CS..  trans-81.4176173.980.9-11.3000111.7F233 N255 G256 Q257F233-D253 HydrophobicContact CD1-CB 4.31Å; D253-N255 PolarHBondContact O-N 2.84Å; D253-N255 VanDerWaalsContact O-N 3.08Å; D253-N255 WeakPolarHBondContact OD1-CA 3.15Å; D253-N255 WeakPolarHBondContact OD1-CB 3.42Å; D253-N255 PolarHBondContact OD1-N 2.9Å; D253-N255 PolarHBondContact OD2-ND2 3.13Å; D253-G256 PolarHBondContact O-N 3.44Å; D253-G256 PolarHBondContact OD1-N 2.99Å; D253-Q257 PolarHBondContact N-O 3.48Å; D253-Q257 WeakPolarHBondContact OD1-CB 3.28Å; D253-Q257 PolarHBondContact OD1-N 3.23Å
254D76.6Confident88.6Confident94 Ų9460.2 Ų60.250%0.50332%0.318SS..THydrogen-bonded Turntrans-63.9-13.7179.7-63.7-30.8000113.5R235R235-D254 VanDerWaalsContact CB-OD1 3.28Å; R235-D254 WeakPolarHBondContact CB-OD1 3.32Å
255N79Confident89.2Confident136 Ų13660.4 Ų60.473%0.72731%0.306SS*.THydrogen-bonded Turntrans-95.4-0.5176.8-51.9-62.1000112.5D253 Q257D253-N255 PolarHBondContact O-N 2.84Å; D253-N255 VanDerWaalsContact O-N 3.08Å; D253-N255 WeakPolarHBondContact OD1-CA 3.15Å; D253-N255 WeakPolarHBondContact OD1-CB 3.42Å; D253-N255 PolarHBondContact OD1-N 2.9Å; D253-N255 PolarHBondContact OD2-ND2 3.13Å; N255-Q257 VanDerWaalsContact C-N 3.28Å; N255-Q257 PolarHBondContact O-N 3.46Å
256G79.8Confident89.3Confident42 Ų4258.4 Ų58.443%0.43330%0.298SS..  trans75.69.5-174.800000114.4D253 E258D253-G256 PolarHBondContact O-N 3.44Å; D253-G256 PolarHBondContact OD1-N 2.99Å; G256-E258 PolarHBondContact O-N 3.44Å
257Q81.7Confident89.1Confident131 Ų13156.9 Ų56.961%0.61230%0.3SS*.PPolyproline II helixtrans-69.9126.1169.4-77.2-167.7-10.100109.7K252 D253 N255K252-Q257 WeakPolarHBondContact CA-O 3.35Å; D253-Q257 PolarHBondContact N-O 3.48Å; D253-Q257 WeakPolarHBondContact OD1-CB 3.28Å; D253-Q257 PolarHBondContact OD1-N 3.23Å; N255-Q257 VanDerWaalsContact C-N 3.28Å; N255-Q257 PolarHBondContact O-N 3.46Å
258E84.9Confident88.5Confident89 Ų8960 Ų6042%0.41633%0.325SS..EExtended strand (participates in β ladder)trans-98.7117.3177.6-170.3169.3177.700110.6S250 Y251 K252 G256S250-E258 WeakPolarHBondContact CB-OE1 3.49Å; S250-E258 PolarHBondContact OG-OE1 3.44Å; Y251-E258 CarbonylContact O-C 3.55Å; Y251-E258 WeakPolarHBondContact O-CA 3.4Å; K252-E258 VanDerWaalsContact CE-OE2 3.26Å; K252-E258 WeakPolarHBondContact CE-OE2 3.42Å; K252-E258 HydrophobicContact CG-CB 4.09Å; K252-E258 HydrophobicContact CG-CG 4.07Å; G256-E258 PolarHBondContact O-N 3.44Å
259L85.8Confident87.7Confident63 Ų6361.5 Ų61.533%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-97.7147.1166.1-66.9-177.3000109.7F233 S250 Y251F233-L259 HydrophobicContact CD1-CD1 3.46Å; F233-L259 VanDerWaalsContact CD1-CD1 3.46Å; F233-L259 HydrophobicContact CD1-CG 4.32Å; F233-L259 HydrophobicContact CE1-CD1 3.3Å; F233-L259 HydrophobicContact CE1-CG 4.28Å; F233-L259 HydrophobicContact CZ-CD1 4.31Å; S250-L259 CarbonylContact C-O 3.56Å; S250-L259 WeakPolarHBondContact CA-O 3.35Å; S250-L259 WeakPolarHBondContact CB-O 3.05Å; Y251-L259 PolarHBondContact N-O 3.32Å; Y251-L259 PolarHBondContact O-N 2.91Å
260Y89.9Confident87.3Confident147 Ų14764.6 Ų64.658%0.57635%0.346SS*.EExtended strand (participates in β ladder)trans-141.4150.217663.8-89000112.8Q249Q249-Y260 CarbonylContact O-C 3.59Å; Q249-Y260 WeakPolarHBondContact O-CA 3.27Å
261Q92.6Very high87.1Confident14 Ų1467.7 Ų67.77%0.06536%0.362CS..EExtended strand (participates in β ladder)trans-126.7127.8176.3-64.6172.9-15.700108Y121 Y138 K248 Q249 Y263Y121-Q261 HydrophobicContact CD1-CB 4.28Å; Y121-Q261 HydrophobicContact CD1-CG 4.25Å; Y121-Q261 HydrophobicContact CD2-CB 4.4Å; Y121-Q261 HydrophobicContact CE1-CB 4.13Å; Y121-Q261 HydrophobicContact CE1-CG 3.76Å; Y121-Q261 HydrophobicContact CE2-CB 4.27Å; Y121-Q261 HydrophobicContact CG-CB 4.41Å; Y138-Q261 PolarHBondContact OH-NE2 3.35Å; K248-Q261 CarbonylContact C-O 3.52Å; K248-Q261 WeakPolarHBondContact CA-O 3.35Å; Q249-Q261 PolarHBondContact N-O 2.98Å; Q249-Q261 PolarHBondContact O-N 2.91Å; Q261-Y263 HydrophobicContact CB-CD2 4.36Å; Q261-Y263 HydrophobicContact CB-CE2 3.64Å; Q261-Y263 PolarHBondContact OE1-OH 2.7Å
262T95.8Very high87.1Confident63 Ų6370.8 Ų70.839%0.38738%0.38SS..EExtended strand (participates in β ladder)trans-112.8110.6178.9-53.50000109.6Y121 W246 L247Y121-T262 WeakPolarHBondContact CD2-O 3.33Å; W246-T262 HydrophobicContact CB-CG2 4.12Å; L247-T262 CarbonylContact O-C 3.17Å
263Y97.1Very high87.2Confident0 Ų071.4 Ų71.40%039%0.386CS..EExtended strand (participates in β ladder)trans-91146.8180-58.6-108.8000110.4W119 R120 Y121 K140 V142 W246 L247 Q249 Q261W119-Y263 HydrophobicContact CB-CD1 4.15Å; W119-Y263 HydrophobicContact CB-CG 4.26Å; R120-Y263 CarbonylContact O-C 3.49Å; R120-Y263 VanDerWaalsContact O-CA 3.3Å; R120-Y263 WeakPolarHBondContact O-CA 3.39Å; Y121-Y263 HydrophobicContact CG-CE1 4.35Å; K140-Y263 HydrophobicContact CB-CE1 4.37Å; K140-Y263 HydrophobicContact CD-CE1 4.28Å; K140-Y263 VanDerWaalsContact CD-OH 3.26Å; K140-Y263 WeakPolarHBondContact CD-OH 3.12Å; K140-Y263 VanDerWaalsContact CE-OH 3.27Å; K140-Y263 WeakPolarHBondContact CE-OH 3.29Å; K140-Y263 HydrophobicContact CG-CE1 4.08Å; V142-Y263 HydrophobicContact CB-CD1 4.43Å; V142-Y263 HydrophobicContact CB-CE1 4.2Å; V142-Y263 HydrophobicContact CG2-CD1 4.24Å; V142-Y263 HydrophobicContact CG2-CE1 3.54Å; W246-Y263 WeakPolarHBondContact CA-O 3.11Å; W246-Y263 WeakPolarHBondContact CB-O 3.28Å; L247-Y263 HydrophobicContact CG-CD2 4.42Å; L247-Y263 PolarHBondContact N-O 3.25Å; L247-Y263 WeakPolarHBondContact O-CD2 3.39Å; L247-Y263 PolarHBondContact O-N 3.15Å; Q249-Y263 HydrophobicContact CB-CE2 4.23Å; Q249-Y263 HydrophobicContact CG-CD2 4.5Å; Q249-Y263 HydrophobicContact CG-CE2 3.96Å; Q249-Y263 PolarHBondContact OE1-OH 3.11Å; Q261-Y263 HydrophobicContact CB-CD2 4.36Å; Q261-Y263 HydrophobicContact CB-CE2 3.64Å; Q261-Y263 PolarHBondContact OE1-OH 2.7Å
264V97Very high87.8Confident92 Ų9275.3 Ų75.356%0.55841%0.407SS*.EExtended strand (participates in β ladder)trans-100.6139.4171.8-178.80000109.1W119 R120 V266W119-V264 WeakPolarHBondContact CA-O 3.32Å; R120-V264 PolarHBondContact N-O 2.94Å; R120-V264 PolarHBondContact O-N 3.25Å; V264-V266 PolarHBondContact O-N 3.1Å
265K96Very high88.6Confident48 Ų4874 Ų7421%0.20940%0.401CS..EExtended strand (participates in β ladder)trans-67.5128.3177.1-156.6164.4-170.7168.10110.8P114 W119 G244 N245 S267P114-K265 PolarHBondContact O-NZ 3.03Å; W119-K265 HydrophobicContact CD2-CG 4.45Å; W119-K265 HydrophobicContact CE3-CB 3.83Å; W119-K265 HydrophobicContact CE3-CG 4.12Å; W119-K265 HydrophobicContact CH2-CB 4.05Å; W119-K265 HydrophobicContact CH2-CD 3.69Å; W119-K265 HydrophobicContact CH2-CG 3.95Å; W119-K265 HydrophobicContact CZ2-CD 4.02Å; W119-K265 HydrophobicContact CZ2-CG 4.27Å; W119-K265 HydrophobicContact CZ3-CB 3.5Å; W119-K265 HydrophobicContact CZ3-CD 4.07Å; W119-K265 HydrophobicContact CZ3-CG 3.86Å; G244-K265 VanDerWaalsContact O-CD 3.22Å; G244-K265 WeakPolarHBondContact O-CD 3.47Å; N245-K265 PolarHBondContact O-N 3.01Å; K265-S267 WeakPolarHBondContact CE-O 3.41Å
266V94.8Very high89.2Confident77 Ų7769.6 Ų69.647%0.46738%0.378SS..EExtended strand (participates in β ladder)trans-98.3-45.5176.7179.10000110.3E118 R120 V264E118-V266 HydrophobicContact CB-CB 4.15Å; E118-V266 HydrophobicContact CG-CB 4.09Å; E118-V266 HydrophobicContact CG-CG2 4.42Å; E118-V266 PolarHBondContact O-N 3.08Å; R120-V266 HydrophobicContact CB-CG2 3.48Å; R120-V266 VanDerWaalsContact CB-CG2 3.48Å; V264-V266 PolarHBondContact O-N 3.1Å
267S91.2Very high90Very high50 Ų5071.7 Ų71.735%0.3537%0.374SS..EExtended strand (participates in β ladder)trans-141.8142.5176.162.50000110.5G117 E118 K265G117-S267 VanDerWaalsContact CA-O 3.3Å; G117-S267 WeakPolarHBondContact CA-O 3.47Å; E118-S267 WeakPolarHBondContact CB-OG 3.48Å; E118-S267 PolarHBondContact N-O 3.04Å; E118-S267 VanDerWaalsContact N-O 3.09Å; E118-S267 PolarHBondContact O-N 2.76Å; K265-S267 WeakPolarHBondContact CE-O 3.41Å
268A85.1Confident90.7Very high65 Ų6566.8 Ų66.854%0.53735%0.354SS..EExtended strand (participates in β ladder)trans-93170.8164.300000109.6
269R77.7Confident91.2Very high93 Ų9364.7 Ų64.735%0.35135%0.348SS..  trans-66.30163.8176174.9168.4-171.8-5.4111.1L103 I116L103-R269 PolarHBondContact O-NH1 3.1Å; L103-R269 PolarHBondContact O-NH2 3.13Å; I116-R269 HydrophobicContact CG2-CB 4.24Å

Retrieved 269 of 269 residues in 838.5 ms (Link to these results)

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