A0A3Q0KJC8_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KJC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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
1M46.5Very low46.5Very low211 Ų211136.2 Ų136.2100%1.03966%0.657SS**  0-33.40-137.5175.8-16600114.1T4M1-T4 PolarHBondContact O-OG1 2.68Å; M1-T4 VanDerWaalsContact O-OG1 3.1Å
2F40.8Very low47.2Very low187 Ų187131.2 Ų131.282%0.8264%0.635SS**Hα-helixtrans-70.2-38.4178.9-94.6-92.8000114.8T4 K5 L6F2-T4 PolarHBondContact O-N 3.33Å; F2-K5 PolarHBondContact O-N 3.09Å; F2-L6 PolarHBondContact O-N 3.33Å
3F35.9Very low47.5Very low182 Ų182129.8 Ų129.880%0.79862%0.62SS**Hα-helixtrans-65.2-34.6-178.8-98.1-92.6000113.8T7F3-T7 WeakPolarHBondContact O-CG2 3.39Å; F3-T7 PolarHBondContact O-N 2.93Å; F3-T7 PolarHBondContact O-OG1 3.4Å; F3-T7 VanDerWaalsContact O-OG1 3.14Å
4T51.9Low48Very low94 Ų94127.6 Ų127.658%0.57761%0.611SS**Hα-helixtrans-74.4-30.5-179.748.60000112.9M1 F2 T7 W8M1-T4 PolarHBondContact O-OG1 2.68Å; M1-T4 VanDerWaalsContact O-OG1 3.1Å; F2-T4 PolarHBondContact O-N 3.33Å; T4-T7 WeakPolarHBondContact CA-OG1 3.41Å; T4-T7 PolarHBondContact O-OG1 3.29Å; T4-T7 VanDerWaalsContact O-OG1 3.04Å; T4-W8 WeakPolarHBondContact O-CB 3.43Å; T4-W8 PolarHBondContact O-N 2.87Å; T4-W8 VanDerWaalsContact O-N 3.14Å
5K41.9Very low48.5Very low161 Ų161124.7 Ų124.770%0.760%0.6SS**Hα-helixtrans-71.1-38.7177.1-132.9175.3-173.61790111.5F2 L9F2-K5 PolarHBondContact O-N 3.09Å; K5-L9 WeakPolarHBondContact O-CB 3.32Å; K5-L9 WeakPolarHBondContact O-CD1 3.09Å; K5-L9 VanDerWaalsContact O-CG 3.32Å; K5-L9 WeakPolarHBondContact O-CG 3.4Å; K5-L9 PolarHBondContact O-N 3.22Å
6L42.5Very low48.9Very low124 Ų124126.3 Ų126.365%0.64960%0.603SS**Hα-helixtrans-69.4-42.1179-159.876.4000111.7F2 L9 L10F2-L6 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 2.84Å; L6-L10 WeakPolarHBondContact O-CB 3.3Å; L6-L10 PolarHBondContact O-N 3.48Å
7T50.9Low49.3Very low81 Ų81122.2 Ų122.250%0.49759%0.588SS.*Hα-helixtrans-66.1-40.3176.649.80000111.8F3 T4 L10 L11F3-T7 WeakPolarHBondContact O-CG2 3.39Å; F3-T7 PolarHBondContact O-N 2.93Å; F3-T7 PolarHBondContact O-OG1 3.4Å; F3-T7 VanDerWaalsContact O-OG1 3.14Å; T4-T7 WeakPolarHBondContact CA-OG1 3.41Å; T4-T7 PolarHBondContact O-OG1 3.29Å; T4-T7 VanDerWaalsContact O-OG1 3.04Å; T7-L10 PolarHBondContact O-N 2.87Å; T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 PolarHBondContact O-N 3.49Å
8W44.6Very low49.6Very low174 Ų174123.1 Ų123.166%0.65959%0.589SS**Hα-helixtrans-67.3-40.6177.1-140.677.5000112.6T4 L10 L11 L12T4-W8 WeakPolarHBondContact O-CB 3.43Å; T4-W8 PolarHBondContact O-N 2.87Å; T4-W8 VanDerWaalsContact O-N 3.14Å; W8-L10 VanDerWaalsContact C-N 3.34Å; W8-L11 PolarHBondContact O-N 2.98Å; W8-L12 HydrophobicContact CD2-CD1 4.45Å; W8-L12 HydrophobicContact CE3-CD1 3.45Å; W8-L12 VanDerWaalsContact CE3-CD1 3.45Å; W8-L12 HydrophobicContact CE3-CG 3.97Å; W8-L12 HydrophobicContact CH2-CD1 4.36Å; W8-L12 HydrophobicContact CZ3-CD1 3.42Å; W8-L12 VanDerWaalsContact CZ3-CD1 3.42Å; W8-L12 HydrophobicContact CZ3-CD2 4.34Å; W8-L12 HydrophobicContact CZ3-CG 4.06Å; W8-L12 WeakPolarHBondContact O-CB 3.46Å; W8-L12 WeakPolarHBondContact O-CG 3.45Å; W8-L12 PolarHBondContact O-N 3.41Å
9L47.7Very low50.2Low83 Ų83121.6 Ų121.644%0.43559%0.585SS.*Hα-helixtrans-62.3-41.7171.9-78.1166000111.5K5 L6 R13K5-L9 WeakPolarHBondContact O-CB 3.32Å; K5-L9 WeakPolarHBondContact O-CD1 3.09Å; K5-L9 VanDerWaalsContact O-CG 3.32Å; K5-L9 WeakPolarHBondContact O-CG 3.4Å; K5-L9 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 2.84Å; L9-R13 VanDerWaalsContact O-CB 3.27Å; L9-R13 WeakPolarHBondContact O-CB 3.38Å; L9-R13 WeakPolarHBondContact O-CD 3.32Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.68Å
10L55.8Low50.7Low99 Ų99116.1 Ų116.152%0.51856%0.558SS.*Hα-helixtrans-64.3-41.6175.7-160.781.1000111.3L6 T7 W8 R13 I14L6-L10 WeakPolarHBondContact O-CB 3.3Å; L6-L10 PolarHBondContact O-N 3.48Å; T7-L10 PolarHBondContact O-N 2.87Å; W8-L10 VanDerWaalsContact C-N 3.34Å; L10-R13 CarbonylContact O-C 3.58Å; L10-R13 WeakPolarHBondContact O-CB 3.43Å; L10-R13 PolarHBondContact O-N 3.3Å; L10-I14 HydrophobicContact CD2-CD1 4.38Å; L10-I14 HydrophobicContact CG-CD1 4.23Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.35Å
11L53.5Low51.2Low102 Ų102112.1 Ų112.153%0.53454%0.542SS..Hα-helixtrans-65.7-46.5178.9-143.9102.7000111.5T7 W8 R13 I14 L15T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 PolarHBondContact O-N 3.49Å; W8-L11 PolarHBondContact O-N 2.98Å; L11-R13 PolarHBondContact O-N 3.13Å; L11-I14 PolarHBondContact O-N 3.04Å; L11-L15 HydrophobicContact CD2-CD1 4.26Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.01Å
12L55Low51.6Low76 Ų76110.3 Ų110.340%0.39852%0.524SS..Hα-helixtrans-59.6-36171.8-75.8176.8000111.9W8 K16W8-L12 HydrophobicContact CD2-CD1 4.45Å; W8-L12 HydrophobicContact CE3-CD1 3.45Å; W8-L12 VanDerWaalsContact CE3-CD1 3.45Å; W8-L12 HydrophobicContact CE3-CG 3.97Å; W8-L12 HydrophobicContact CH2-CD1 4.36Å; W8-L12 HydrophobicContact CZ3-CD1 3.42Å; W8-L12 VanDerWaalsContact CZ3-CD1 3.42Å; W8-L12 HydrophobicContact CZ3-CD2 4.34Å; W8-L12 HydrophobicContact CZ3-CG 4.06Å; W8-L12 WeakPolarHBondContact O-CB 3.46Å; W8-L12 WeakPolarHBondContact O-CG 3.45Å; W8-L12 PolarHBondContact O-N 3.41Å; L12-K16 WeakPolarHBondContact O-CB 3.38Å; L12-K16 WeakPolarHBondContact O-CG 3.48Å; L12-K16 PolarHBondContact O-N 3.22Å
13R50.4Low52.4Low114 Ų114103.8 Ų103.843%0.4350%0.504SS..Hα-helixtrans-67.9-43.4176.1-76.3162178.2-162.92.6111.8L9 L10 L11 K16 V17 W79L9-R13 VanDerWaalsContact O-CB 3.27Å; L9-R13 WeakPolarHBondContact O-CB 3.38Å; L9-R13 WeakPolarHBondContact O-CD 3.32Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.68Å; L10-R13 CarbonylContact O-C 3.58Å; L10-R13 WeakPolarHBondContact O-CB 3.43Å; L10-R13 PolarHBondContact O-N 3.3Å; L11-R13 PolarHBondContact O-N 3.13Å; R13-K16 PolarHBondContact O-N 3.39Å; R13-V17 WeakPolarHBondContact O-CG2 3.27Å; R13-V17 PolarHBondContact O-N 2.91Å; R13-V17 VanDerWaalsContact O-N 3.16Å; R13-W79 HydrophobicContact CB-CZ2 4.03Å; R13-W79 HydrophobicContact CG-CZ2 3.89Å
14I54.7Low53.2Low98 Ų9895.7 Ų95.750%0.50347%0.469SS..Hα-helixtrans-65-46175.7-68.2164.2000110L10 L11 K16 V17 F18L10-I14 HydrophobicContact CD2-CD1 4.38Å; L10-I14 HydrophobicContact CG-CD1 4.23Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.35Å; L11-I14 PolarHBondContact O-N 3.04Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 3.47Å; I14-V17 PolarHBondContact O-N 3.42Å; I14-F18 WeakPolarHBondContact O-CB 3.5Å; I14-F18 PolarHBondContact O-N 2.8Å
15L55.6Low53.3Low84 Ų8494.7 Ų94.744%0.4447%0.466SS..Hα-helixtrans-60.7-38.5177.4-74.3168.8000112.2L11 F18 N19L11-L15 HydrophobicContact CD2-CD1 4.26Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.49Å; L11-L15 PolarHBondContact O-N 3.01Å; L15-F18 PolarHBondContact O-N 3.2Å; L15-N19 VanDerWaalsContact O-CB 3.26Å; L15-N19 WeakPolarHBondContact O-CB 3.29Å; L15-N19 VanDerWaalsContact O-CG 3.24Å; L15-N19 PolarHBondContact O-N 3.48Å; L15-N19 PolarHBondContact O-ND2 2.81Å
16K55.2Low53.8Low151 Ų15190.5 Ų90.566%0.65746%0.461SS*.Hα-helixtrans-63.1-44.7173.6-82-174.5179.3-171.50112.5L12 R13 I14 F18 F20L12-K16 WeakPolarHBondContact O-CB 3.38Å; L12-K16 WeakPolarHBondContact O-CG 3.48Å; L12-K16 PolarHBondContact O-N 3.22Å; R13-K16 PolarHBondContact O-N 3.39Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 3.47Å; K16-F18 VanDerWaalsContact C-N 3.35Å; K16-F20 WeakPolarHBondContact O-CB 3.21Å; K16-F20 PolarHBondContact O-N 3.27Å
17V55.8Low54.3Low57 Ų5788.4 Ų88.435%0.34545%0.451SS..Hα-helixtrans-64.8-41.9176.1175.30000110.6R13 I14 F20 C21 W79R13-V17 WeakPolarHBondContact O-CG2 3.27Å; R13-V17 PolarHBondContact O-N 2.91Å; R13-V17 VanDerWaalsContact O-N 3.16Å; I14-V17 PolarHBondContact O-N 3.42Å; V17-F20 WeakPolarHBondContact O-CB 3.38Å; V17-F20 PolarHBondContact O-N 3.48Å; V17-C21 WeakPolarHBondContact O-CB 3.17Å; V17-C21 PolarHBondContact O-N 3.23Å; V17-C21 PolarHBondContact O-SG 3.05Å; V17-W79 HydrophobicContact CG2-CG 4.18Å
18F54.1Low54.1Low138 Ų13887.4 Ų87.461%0.60545%0.447SS*.Hα-helixtrans-65-45.8179.5-156.1-90.3000111.6I14 L15 K16 C21 R22I14-F18 WeakPolarHBondContact O-CB 3.5Å; I14-F18 PolarHBondContact O-N 2.8Å; L15-F18 PolarHBondContact O-N 3.2Å; K16-F18 VanDerWaalsContact C-N 3.35Å; F18-C21 PolarHBondContact O-N 2.67Å; F18-R22 VanDerWaalsContact O-CB 3.32Å; F18-R22 WeakPolarHBondContact O-CB 3.28Å; F18-R22 PolarHBondContact O-N 2.82Å
19N62Low53.8Low94 Ų9486.6 Ų86.650%0.50346%0.455SS..Hα-helixtrans-65.2-38175-73.5-20.6000112L15 R22 A23L15-N19 VanDerWaalsContact O-CB 3.26Å; L15-N19 WeakPolarHBondContact O-CB 3.29Å; L15-N19 VanDerWaalsContact O-CG 3.24Å; L15-N19 PolarHBondContact O-N 3.48Å; L15-N19 PolarHBondContact O-ND2 2.81Å; N19-R22 PolarHBondContact O-N 3.28Å; N19-A23 WeakPolarHBondContact O-CB 3.25Å; N19-A23 PolarHBondContact O-N 2.99Å
20F59.9Low53.5Low11 Ų1190.8 Ų90.85%0.04848%0.478CS..Hα-helixtrans-60.6-51.3172.8172.2-111.1000111.8K16 V17 R22 A23 M24 K75 V78 V84 V87 L88 L115K16-F20 WeakPolarHBondContact O-CB 3.21Å; K16-F20 PolarHBondContact O-N 3.27Å; V17-F20 WeakPolarHBondContact O-CB 3.38Å; V17-F20 PolarHBondContact O-N 3.48Å; F20-R22 VanDerWaalsContact C-N 3.27Å; F20-R22 PolarHBondContact O-N 3.48Å; F20-A23 PolarHBondContact O-N 3.16Å; F20-M24 HydrophobicContact CE2-CG 4.45Å; F20-M24 HydrophobicContact CE2-SD 4.28Å; F20-M24 HydrophobicContact CZ-SD 4.16Å; F20-M24 WeakPolarHBondContact O-CG 3.26Å; F20-M24 PolarHBondContact O-N 2.85Å; F20-K75 HydrophobicContact CE1-CG 4.44Å; F20-V78 HydrophobicContact CZ-CG1 4.27Å; F20-V84 HydrophobicContact CB-CG1 4.24Å; F20-V84 HydrophobicContact CD2-CG1 3.52Å; F20-V84 HydrophobicContact CE2-CG1 4.02Å; F20-V84 HydrophobicContact CG-CG1 4.04Å; F20-V87 HydrophobicContact CE2-CB 4.29Å; F20-V87 HydrophobicContact CE2-CG1 4.06Å; F20-V87 HydrophobicContact CZ-CB 4.38Å; F20-V87 HydrophobicContact CZ-CG1 3.92Å; F20-L88 HydrophobicContact CD2-CD1 4.08Å; F20-L88 HydrophobicContact CD2-CD2 3.7Å; F20-L88 HydrophobicContact CD2-CG 3.78Å; F20-L88 HydrophobicContact CE2-CD2 3.85Å; F20-L88 HydrophobicContact CE2-CG 3.89Å; F20-L115 HydrophobicContact CE1-CD1 4.02Å; F20-L115 HydrophobicContact CZ-CD1 3.59Å
21C60.9Low53Low34 Ų3490.2 Ų90.223%0.2348%0.482CS..Hα-helixtrans-59.3-38.1175.7-71.40000112V17 F18 M24 S25 Q110V17-C21 WeakPolarHBondContact O-CB 3.17Å; V17-C21 PolarHBondContact O-N 3.23Å; V17-C21 PolarHBondContact O-SG 3.05Å; F18-C21 PolarHBondContact O-N 2.67Å; C21-M24 WeakPolarHBondContact O-CB 3.48Å; C21-M24 PolarHBondContact O-N 2.73Å; C21-S25 PolarHBondContact O-N 2.89Å; C21-S25 PolarHBondContact O-OG 3.34Å; C21-Q110 PolarHBondContact O-NE2 3.48Å
22R54.7Low52.8Low173 Ų17393.1 Ų93.165%0.65350%0.496SS*.Hα-helixtrans-70.1-42.1179-164.4177.6-178.4-168.7-0112.5F18 N19 F20 M24 S25 A26F18-R22 VanDerWaalsContact O-CB 3.32Å; F18-R22 WeakPolarHBondContact O-CB 3.28Å; F18-R22 PolarHBondContact O-N 2.82Å; N19-R22 PolarHBondContact O-N 3.28Å; F20-R22 VanDerWaalsContact C-N 3.27Å; F20-R22 PolarHBondContact O-N 3.48Å; R22-M24 PolarHBondContact O-N 3.42Å; R22-S25 PolarHBondContact O-N 3.33Å; R22-S25 VanDerWaalsContact O-N 3.14Å; R22-A26 PolarHBondContact O-N 3.04Å
23A57Low53Low50 Ų5095.9 Ų95.941%0.41352%0.516SS..Hα-helixtrans-63.4-28.4173.200000112.2N19 F20 L88 K91N19-A23 WeakPolarHBondContact O-CB 3.25Å; N19-A23 PolarHBondContact O-N 2.99Å; F20-A23 PolarHBondContact O-N 3.16Å; A23-L88 HydrophobicContact CB-CD2 4.26Å; A23-K91 PolarHBondContact O-NZ 3.4Å
24M54Low53.4Low12 Ų12100.4 Ų100.46%0.05953%0.533CS..Hα-helixtrans-71.6-35.2173.3-64.4-113.444.800112.4F20 C21 R22 K91 L115F20-M24 HydrophobicContact CE2-CG 4.45Å; F20-M24 HydrophobicContact CE2-SD 4.28Å; F20-M24 HydrophobicContact CZ-SD 4.16Å; F20-M24 WeakPolarHBondContact O-CG 3.26Å; F20-M24 PolarHBondContact O-N 2.85Å; C21-M24 WeakPolarHBondContact O-CB 3.48Å; C21-M24 PolarHBondContact O-N 2.73Å; R22-M24 PolarHBondContact O-N 3.42Å; M24-K91 HydrophobicContact CE-CD 3.4Å; M24-K91 PolarHBondContact O-NZ 2.7Å; M24-L115 HydrophobicContact CB-CD2 4.37Å; M24-L115 HydrophobicContact CE-CD1 4.33Å; M24-L115 HydrophobicContact CE-CD2 4.14Å; M24-L115 HydrophobicContact CG-CD2 4.07Å; M24-L115 HydrophobicContact SD-CB 4.42Å; M24-L115 HydrophobicContact SD-CD1 3.21Å; M24-L115 WeakPolarHBondContact SD-CD1 3.28Å; M24-L115 HydrophobicContact SD-CD2 3.26Å; M24-L115 WeakPolarHBondContact SD-CD2 3.27Å; M24-L115 HydrophobicContact SD-CG 3.74Å
25S54.1Low54.6Low73 Ų73101.2 Ų101.251%0.5155%0.545SS..Hα-helixtrans-85.2-19-175.5-63.30000116.4C21 R22 D27 Q110C21-S25 PolarHBondContact O-N 2.89Å; C21-S25 PolarHBondContact O-OG 3.34Å; R22-S25 PolarHBondContact O-N 3.33Å; R22-S25 VanDerWaalsContact O-N 3.14Å; S25-D27 PolarHBondContact O-N 3.33Å; S25-Q110 PolarHBondContact OG-NE2 3.1Å
26A51.7Low55.9Low72 Ų72101.9 Ų101.960%0.59555%0.548SS*.THydrogen-bonded Turntrans-691.9-166.700000116.1R22R22-A26 PolarHBondContact O-N 3.04Å
27D53.1Low57.5Low81 Ų8196.6 Ų96.643%0.43353%0.529SS..THydrogen-bonded Turntrans-108.41.5-165.3-74.1-45.7000116.4S25 K91 K95S25-D27 PolarHBondContact O-N 3.33Å; D27-K91 VanDerWaalsContact OD2-CE 3.27Å; D27-K91 WeakPolarHBondContact OD2-CE 3.19Å; D27-K91 IonicContact OD2-NZ 3.34Å; D27-K91 PolarHBondContact OD2-NZ 3.43Å; D27-K95 IonicContact OD1-NZ 3.06Å; D27-K95 PolarHBondContact OD1-NZ 3.19Å; D27-K95 IonicContact OD2-NZ 3.95Å; D27-K95 PolarHBondContact OD2-NZ 2.59Å
28S45.7Very low59.3Low60 Ų60100 Ų10042%0.4254%0.539SS..  trans-98.912.7-174.5-54.80000115.4
29L38.8Very low61.1Low157 Ų15795 Ų9582%0.82252%0.521SS*.SBendtrans-91.6-4.7-170.4-78.6167000116.5
30N41.6Very low62.6Low171 Ų17194.5 Ų94.591%0.91453%0.525SS*.SBendtrans-117.923.8-173.7-86.8-4.1000117.1
31S46Very low64.2Low86 Ų8697.1 Ų97.160%0.60154%0.539SS*.  trans-126.7100.8161.768.10000110.7T33S31-T33 PolarHBondContact O-N 3.34Å
32I49.3Very low65.9Low163 Ų16396 Ų9684%0.83653%0.53SS*.THydrogen-bonded Turntrans-62.2118.2172-56.3172.9000107.5
33T57.9Low67.9Low134 Ų13494.5 Ų94.582%0.82253%0.528SS*.THydrogen-bonded Turntrans109.80163.173.10000122.7S31S31-T33 PolarHBondContact O-N 3.34Å
34R60.1Low69.8Low210 Ų21096 Ų9679%0.79253%0.526SS*.  trans-109.4127.1165.2-78.6-168.2-179.3-169.71.4112.4
35P79.1Confident71.5Confident115 Ų11597.6 Ų97.675%0.74755%0.545SS*.PPolyproline II helixtrans-61.1144.5172.425.3-31.2000110.1
36I83.3Confident73.1Confident97 Ų97101.6 Ų101.650%0.49755%0.554SS.*PPolyproline II helixtrans-59.3126174.9-60.3171000108F109I36-F109 HydrophobicContact CG2-CB 4Å
37P89.3Confident75Confident40 Ų40102 Ų10226%0.2654%0.543SS..PPolyproline II helixtrans-58150179.7-2433.1000112.5F42 F109P37-F42 HydrophobicContact CB-CE2 3.94Å; P37-F42 HydrophobicContact CB-CZ 4.22Å; P37-F109 HydrophobicContact CB-CD1 3.96Å; P37-F109 HydrophobicContact CB-CE1 4.06Å; P37-F109 HydrophobicContact CB-CG 4.47Å; P37-F109 WeakPolarHBondContact O-CB 3.45Å; P37-F109 WeakPolarHBondContact O-CD2 3.41Å; P37-F109 VanDerWaalsContact O-CG 3.29Å; P37-F109 WeakPolarHBondContact O-CG 3.31Å
38K92.5Very high76.4Confident129 Ų129101.2 Ų101.256%0.56154%0.538SS*.  trans-123.6157.6176.6-63177.2-174.6173.40109.8S40 D41 F42K38-S40 PolarHBondContact O-N 2.88Å; K38-S40 VanDerWaalsContact O-N 3.09Å; K38-D41 PolarHBondContact N-OD2 3.44Å; K38-D41 WeakPolarHBondContact O-CB 3.35Å; K38-D41 PolarHBondContact O-N 2.74Å; K38-F42 VanDerWaalsContact O-CD2 3.31Å; K38-F42 WeakPolarHBondContact O-CD2 3.46Å
39P91.2Very high78.2Confident34 Ų3499.4 Ų99.422%0.22153%0.529CS..G310 helixtrans-55.2-31.2176.1-24.232.9000113.6D41 F42 F44 F109 F116P39-D41 PolarHBondContact O-N 3.08Å; P39-F42 PolarHBondContact O-N 2.87Å; P39-F44 HydrophobicContact CB-CE2 4.44Å; P39-F109 HydrophobicContact CG-CE2 3.94Å; P39-F116 HydrophobicContact CB-CE1 4.28Å; P39-F116 HydrophobicContact CB-CZ 4.3Å; P39-F116 HydrophobicContact CG-CD1 4.43Å; P39-F116 HydrophobicContact CG-CD2 4.33Å; P39-F116 HydrophobicContact CG-CE1 3.84Å; P39-F116 HydrophobicContact CG-CE2 3.75Å; P39-F116 HydrophobicContact CG-CZ 3.47Å; P39-F116 VanDerWaalsContact CG-CZ 3.47Å
40S93.9Very high80.4Confident83 Ų8399.1 Ų99.158%0.5852%0.524SS*.G310 helixtrans-65.7-17.9177.552.70000114.4K38 F42 I62K38-S40 PolarHBondContact O-N 2.88Å; K38-S40 VanDerWaalsContact O-N 3.09Å; S40-F42 PolarHBondContact O-N 3.43Å; S40-I62 VanDerWaalsContact O-CD1 3.28Å; S40-I62 WeakPolarHBondContact O-CD1 3.44Å
41D94.5Very high82.4Confident65 Ų6592.6 Ų92.635%0.34850%0.497SS..G310 helixtrans-81.4-4.1-179.4-51.9-22.9000111.2K38 P39 I62K38-D41 PolarHBondContact N-OD2 3.44Å; K38-D41 WeakPolarHBondContact O-CB 3.35Å; K38-D41 PolarHBondContact O-N 2.74Å; P39-D41 PolarHBondContact O-N 3.08Å; D41-I62 WeakPolarHBondContact O-CG1 3.2Å; D41-I62 PolarHBondContact O-N 3.08Å
42F96.2Very high84.3Confident10 Ų1092.5 Ų92.54%0.04449%0.493CS..EExtended strand (participates in β ladder)trans-125.1136.2-176.8-57.7-89.7000111.5P37 K38 P39 S40 V59 Q60 E61 M70 F109 L118P37-F42 HydrophobicContact CB-CE2 3.94Å; P37-F42 HydrophobicContact CB-CZ 4.22Å; K38-F42 VanDerWaalsContact O-CD2 3.31Å; K38-F42 WeakPolarHBondContact O-CD2 3.46Å; P39-F42 PolarHBondContact O-N 2.87Å; S40-F42 PolarHBondContact O-N 3.43Å; F42-V59 HydrophobicContact CB-CB 4.21Å; F42-V59 HydrophobicContact CD1-CB 4.48Å; F42-V59 HydrophobicContact CD1-CG2 4.1Å; F42-Q60 CarbonylContact C-O 3.56Å; F42-Q60 VanDerWaalsContact CA-O 3.31Å; F42-Q60 WeakPolarHBondContact CA-O 3.25Å; F42-E61 HydrophobicContact CD1-CB 4Å; F42-E61 HydrophobicContact CD1-CG 4.42Å; F42-E61 HydrophobicContact CE1-CB 3.86Å; F42-E61 HydrophobicContact CE1-CG 4.03Å; F42-M70 HydrophobicContact CB-CE 4.23Å; F42-M70 HydrophobicContact CD1-CE 4.04Å; F42-M70 HydrophobicContact CD2-CE 3.57Å; F42-M70 HydrophobicContact CE1-CE 4.31Å; F42-M70 HydrophobicContact CE2-CE 3.87Å; F42-M70 HydrophobicContact CG-CE 3.67Å; F42-M70 HydrophobicContact CZ-CE 4.24Å; F42-F109 HydrophobicContact CD2-CZ 4.27Å; F42-F109 HydrophobicContact CE2-CE1 4.01Å; F42-F109 AromaticContact CE2-CZ 3.88Å; F42-F109 HydrophobicContact CE2-CZ 3.88Å; F42-L118 HydrophobicContact CD1-CD1 4.11Å; F42-L118 HydrophobicContact CE1-CD1 3.53Å; F42-L118 HydrophobicContact CE1-CD2 3.82Å; F42-L118 HydrophobicContact CE1-CG 4.34Å; F42-L118 HydrophobicContact CZ-CD1 3.96Å; F42-L118 HydrophobicContact CZ-CD2 3.82Å
43K96.5Very high86.2Confident142 Ų14286.5 Ų86.562%0.61746%0.461SS*.EExtended strand (participates in β ladder)trans-85.8117.2166.7-176.3-179.4179-176.20108.9V59 Q60K43-V59 CarbonylContact O-C 3.52Å; K43-V59 WeakPolarHBondContact O-CA 3.26Å; K43-Q60 HydrophobicContact CB-CB 4.45Å; K43-Q60 PolarHBondContact N-O 3.46Å; K43-Q60 PolarHBondContact O-N 3.16Å
44F96.2Very high87.9Confident82 Ų8280.8 Ų80.836%0.3643%0.426SS..EExtended strand (participates in β ladder)trans-76.5130.4176.7-76.4-105.8000111P39 Y57 V59 M70 V72P39-F44 HydrophobicContact CB-CE2 4.44Å; F44-Y57 HydrophobicContact CD1-CD1 4.34Å; F44-Y57 HydrophobicContact CD1-CD2 4Å; F44-Y57 AromaticContact CD1-CG 3.81Å; F44-Y57 HydrophobicContact CD1-CG 3.81Å; F44-Y57 HydrophobicContact CE1-CD2 4.02Å; F44-Y57 HydrophobicContact CE1-CG 4.27Å; F44-V59 HydrophobicContact CD1-CG1 3.9Å; F44-V59 HydrophobicContact CE1-CG1 4.04Å; F44-V59 HydrophobicContact CG-CG1 4.16Å; F44-V59 HydrophobicContact CZ-CG1 4.42Å; F44-M70 HydrophobicContact CE1-SD 3.94Å; F44-M70 HydrophobicContact CE2-SD 4.35Å; F44-M70 HydrophobicContact CZ-SD 3.48Å; F44-M70 WeakPolarHBondContact CZ-SD 3.4Å; F44-V72 HydrophobicContact CE1-CG2 4.05Å
45G90.8Very high89.6Confident46 Ų4671.8 Ų71.847%0.47440%0.395SS..EExtended strand (participates in β ladder)trans-106-143.4174.600000112I58G45-I58 WeakPolarHBondContact CA-O 3.44Å; G45-I58 PolarHBondContact N-O 2.73Å
46K88.1Confident90.2Very high157 Ų15767.8 Ų67.868%0.68337%0.368SS*.EExtended strand (participates in β ladder)trans-68.1141.6-176.3-169.8-168.1167.6-175.40111.7Y57 I58K46-Y57 WeakPolarHBondContact O-CA 3.2Å; K46-I58 HydrophobicContact CB-CD1 4.37Å; K46-I58 PolarHBondContact O-N 3.3Å
47E90.9Very high90.7Very high79 Ų7966.2 Ų66.237%0.36936%0.356SS..EExtended strand (participates in β ladder)trans-67.6125.8163.8-178.2173.6165.500110.4Q50 T55 Y57E47-Q50 WeakPolarHBondContact OE1-CB 3.36Å; E47-T55 VanDerWaalsContact CD-CG2 3.42Å; E47-T55 HydrophobicContact CG-CG2 3.61Å; E47-T55 WeakPolarHBondContact OE1-CG2 3.15Å; E47-Y57 HydrophobicContact CB-CD1 4.12Å; E47-Y57 HydrophobicContact CB-CE1 4.05Å; E47-Y57 HydrophobicContact CG-CE1 4.47Å
48I83.3Confident90.9Very high65 Ų6565.6 Ų65.633%0.33335%0.351SS..EExtended strand (participates in β ladder)trans-116.3-9.6-177.853.9170.2000113.5V56 I58 A69 Y121I48-V56 HydrophobicContact CD1-CG1 3.88Å; I48-V56 HydrophobicContact CG1-CB 4.11Å; I48-V56 HydrophobicContact CG1-CG1 3.78Å; I48-V56 WeakPolarHBondContact CG1-O 3.46Å; I48-V56 PolarHBondContact N-O 2.99Å; I48-I58 HydrophobicContact CD1-CG1 4Å; I48-I58 HydrophobicContact CG1-CG1 4.38Å; I48-I58 HydrophobicContact CG2-CD1 3.69Å; I48-I58 HydrophobicContact CG2-CG1 3.58Å; I48-A69 HydrophobicContact CD1-CB 4.25Å; I48-Y121 HydrophobicContact CD1-CD2 4.07Å; I48-Y121 HydrophobicContact CD1-CE2 3.86Å
49G83.1Confident91.1Very high23 Ų2359.6 Ų59.624%0.23732%0.324CS..EExtended strand (participates in β ladder)trans-163.2141175.200000112.2T55 V56G49-T55 CarbonylContact O-C 3.58Å; G49-T55 WeakPolarHBondContact O-CA 3.28Å; G49-V56 PolarHBondContact N-O 3.27Å; G49-V56 PolarHBondContact O-N 3.31Å
50Q84.3Confident91.4Very high151 Ų15161.2 Ų61.271%0.70633%0.329SS*.EExtended strand (participates in β ladder)trans-127.6122.9178.3-161.6179.411.700110.1E47E47-Q50 WeakPolarHBondContact OE1-CB 3.36Å
51G84.4Confident91.5Very high34 Ų3459.2 Ų59.235%0.35131%0.311SS..  trans-118.3-177.3176.700000113.3F53 S54G51-F53 VanDerWaalsContact C-N 3.27Å; G51-F53 PolarHBondContact O-N 2.91Å; G51-S54 WeakPolarHBondContact CA-O 3.12Å; G51-S54 PolarHBondContact N-O 3.25Å
52T85.2Confident91.5Very high83 Ų8361.1 Ų61.151%0.50932%0.32SS..SBendtrans-62.1-28.3-175.8-540000114.5R77 Y81T52-R77 PolarHBondContact O-NE 2.97Å; T52-R77 VanDerWaalsContact O-NE 3.09Å; T52-R77 PolarHBondContact O-NH2 2.85Å; T52-Y81 HydrophobicContact CG2-CD1 3.94Å; T52-Y81 HydrophobicContact CG2-CD2 4.16Å; T52-Y81 HydrophobicContact CG2-CE1 3.87Å; T52-Y81 HydrophobicContact CG2-CE2 4.11Å; T52-Y81 HydrophobicContact CG2-CG 4.1Å
53F90.3Very high91.5Very high37 Ų3765.1 Ų65.116%0.16235%0.349CS..SBendtrans-144.99.9-179.353.1-101.8000112.8G51 V73 D74 R77 V78 A83 V87G51-F53 VanDerWaalsContact C-N 3.27Å; G51-F53 PolarHBondContact O-N 2.91Å; F53-V73 HydrophobicContact CD2-CG1 3.75Å; F53-V73 HydrophobicContact CE2-CG1 4.15Å; F53-D74 PolarHBondContact O-N 3.1Å; F53-R77 HydrophobicContact CB-CB 3.75Å; F53-V78 HydrophobicContact CB-CG2 4.12Å; F53-V78 HydrophobicContact CD2-CG2 3.55Å; F53-V78 HydrophobicContact CE2-CG2 4.15Å; F53-V78 HydrophobicContact CG-CG2 3.9Å; F53-A83 HydrophobicContact CD1-CB 4.01Å; F53-A83 HydrophobicContact CE1-CB 3.59Å; F53-A83 HydrophobicContact CZ-CB 4.03Å; F53-V87 HydrophobicContact CD2-CG2 4.39Å; F53-V87 HydrophobicContact CE2-CG2 3.69Å; F53-V87 HydrophobicContact CZ-CG2 4.21Å
54S92.9Very high91.3Very high14 Ų1461.6 Ų61.610%0.09834%0.339CS..EExtended strand (participates in β ladder)trans-142.2155.7179.168.60000112G51 K71 V72G51-S54 WeakPolarHBondContact CA-O 3.12Å; G51-S54 PolarHBondContact N-O 3.25Å; S54-K71 VanDerWaalsContact OG-CE 3.25Å; S54-K71 WeakPolarHBondContact OG-CE 3.44Å; S54-V72 CarbonylContact C-O 3.51Å; S54-V72 WeakPolarHBondContact CA-O 3.25Å; S54-V72 WeakPolarHBondContact CB-O 3.4Å
55T94.9Very high91.2Very high22 Ų2261.3 Ų61.314%0.13535%0.347CS..EExtended strand (participates in β ladder)trans-131.6139.9172.6-56.60000108.5E47 G49 Y57 V72E47-T55 VanDerWaalsContact CD-CG2 3.42Å; E47-T55 HydrophobicContact CG-CG2 3.61Å; E47-T55 WeakPolarHBondContact OE1-CG2 3.15Å; G49-T55 CarbonylContact O-C 3.58Å; G49-T55 WeakPolarHBondContact O-CA 3.28Å; T55-Y57 HydrophobicContact CG2-CD2 4.18Å; T55-Y57 HydrophobicContact CG2-CE1 4.07Å; T55-Y57 HydrophobicContact CG2-CE2 3.46Å; T55-Y57 VanDerWaalsContact CG2-CE2 3.46Å; T55-Y57 WeakPolarHBondContact CG2-OH 3.23Å; T55-V72 PolarHBondContact N-O 2.84Å; T55-V72 PolarHBondContact O-N 2.92Å
56V93.4Very high91.4Very high30 Ų3061.6 Ų61.618%0.18234%0.343CS..EExtended strand (participates in β ladder)trans-109.6127.1-179.7-169.70000109.2I48 G49 A69 M70 K71I48-V56 HydrophobicContact CD1-CG1 3.88Å; I48-V56 HydrophobicContact CG1-CB 4.11Å; I48-V56 HydrophobicContact CG1-CG1 3.78Å; I48-V56 WeakPolarHBondContact CG1-O 3.46Å; I48-V56 PolarHBondContact N-O 2.99Å; G49-V56 PolarHBondContact N-O 3.27Å; G49-V56 PolarHBondContact O-N 3.31Å; V56-A69 HydrophobicContact CG1-CB 4.2Å; V56-M70 WeakPolarHBondContact CA-O 3.47Å; V56-K71 HydrophobicContact CG2-CB 4.21Å; V56-K71 HydrophobicContact CG2-CG 4.09Å
57Y93.7Very high91.7Very high65 Ų6558.3 Ų58.326%0.25533%0.329SS..EExtended strand (participates in β ladder)trans-117.4145.8177.9-59.8-90.2000110.1F44 K46 E47 T55 A69 M70 V72F44-Y57 HydrophobicContact CD1-CD1 4.34Å; F44-Y57 HydrophobicContact CD1-CD2 4Å; F44-Y57 AromaticContact CD1-CG 3.81Å; F44-Y57 HydrophobicContact CD1-CG 3.81Å; F44-Y57 HydrophobicContact CE1-CD2 4.02Å; F44-Y57 HydrophobicContact CE1-CG 4.27Å; K46-Y57 WeakPolarHBondContact O-CA 3.2Å; E47-Y57 HydrophobicContact CB-CD1 4.12Å; E47-Y57 HydrophobicContact CB-CE1 4.05Å; E47-Y57 HydrophobicContact CG-CE1 4.47Å; T55-Y57 HydrophobicContact CG2-CD2 4.18Å; T55-Y57 HydrophobicContact CG2-CE1 4.07Å; T55-Y57 HydrophobicContact CG2-CE2 3.46Å; T55-Y57 VanDerWaalsContact CG2-CE2 3.46Å; T55-Y57 WeakPolarHBondContact CG2-OH 3.23Å; Y57-A69 CarbonylContact O-C 3.59Å; Y57-A69 WeakPolarHBondContact O-CA 3.26Å; Y57-M70 PolarHBondContact N-O 3.1Å; Y57-M70 PolarHBondContact O-N 3.04Å; Y57-V72 HydrophobicContact CD2-CG2 3.87Å; Y57-V72 HydrophobicContact CE2-CB 4.39Å; Y57-V72 HydrophobicContact CE2-CG2 4.02Å
58I93.6Very high92Very high27 Ų2755.8 Ų55.814%0.13832%0.317CS..EExtended strand (participates in β ladder)trans-66.7134.3156.4-57.5170.1000106.6G45 K46 I48 Y121G45-I58 WeakPolarHBondContact CA-O 3.44Å; G45-I58 PolarHBondContact N-O 2.73Å; K46-I58 HydrophobicContact CB-CD1 4.37Å; K46-I58 PolarHBondContact O-N 3.3Å; I48-I58 HydrophobicContact CD1-CG1 4Å; I48-I58 HydrophobicContact CG1-CG1 4.38Å; I48-I58 HydrophobicContact CG2-CD1 3.69Å; I48-I58 HydrophobicContact CG2-CG1 3.58Å; I58-Y121 HydrophobicContact CD1-CE1 4.12Å; I58-Y121 HydrophobicContact CD1-CE2 4.26Å; I58-Y121 VanDerWaalsContact CD1-OH 3.32Å; I58-Y121 WeakPolarHBondContact CD1-OH 3.15Å; I58-Y121 HydrophobicContact CG1-CE1 4.22Å; I58-Y121 HydrophobicContact CG1-CE2 3.98Å; I58-Y121 HydrophobicContact CG2-CE1 4.33Å
59V95.7Very high92.6Very high2 Ų253 Ų531%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-132.3152.7175.3-61.60000110.1F42 K43 F44 E67 F68 M70 L118F42-V59 HydrophobicContact CB-CB 4.21Å; F42-V59 HydrophobicContact CD1-CB 4.48Å; F42-V59 HydrophobicContact CD1-CG2 4.1Å; K43-V59 CarbonylContact O-C 3.52Å; K43-V59 WeakPolarHBondContact O-CA 3.26Å; F44-V59 HydrophobicContact CD1-CG1 3.9Å; F44-V59 HydrophobicContact CE1-CG1 4.04Å; F44-V59 HydrophobicContact CG-CG1 4.16Å; F44-V59 HydrophobicContact CZ-CG1 4.42Å; V59-E67 CarbonylContact O-C 3.58Å; V59-E67 WeakPolarHBondContact O-CA 2.99Å; V59-F68 HydrophobicContact CG2-CB 3.85Å; V59-F68 PolarHBondContact N-O 3.1Å; V59-F68 PolarHBondContact O-N 3.42Å; V59-M70 HydrophobicContact CB-CB 4.32Å; V59-M70 HydrophobicContact CG1-CB 3.49Å; V59-M70 VanDerWaalsContact CG1-CB 3.49Å; V59-M70 HydrophobicContact CG1-CE 4.41Å; V59-M70 HydrophobicContact CG1-CG 4.47Å; V59-M70 HydrophobicContact CG1-SD 4.3Å; V59-M70 HydrophobicContact CG2-CB 3.83Å; V59-M70 HydrophobicContact CG2-CE 4.18Å; V59-L118 HydrophobicContact CG2-CD1 3.94Å
60Q96.6Very high93.3Very high69 Ų6952 Ų5232%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-118.7124.8172.1-170179.711.500109F42 K43 I62 S65 S66F42-Q60 CarbonylContact C-O 3.56Å; F42-Q60 VanDerWaalsContact CA-O 3.31Å; F42-Q60 WeakPolarHBondContact CA-O 3.25Å; K43-Q60 HydrophobicContact CB-CB 4.45Å; K43-Q60 PolarHBondContact N-O 3.46Å; K43-Q60 PolarHBondContact O-N 3.16Å; Q60-I62 PolarHBondContact O-N 3.07Å; Q60-S65 WeakPolarHBondContact CG-O 3.22Å; Q60-S65 PolarHBondContact NE2-O 2.94Å; Q60-S66 CarbonylContact C-O 3.6Å; Q60-S66 WeakPolarHBondContact CA-O 3.09Å
61E96.2Very high93.9Very high40 Ų4045.7 Ų45.719%0.18726%0.264CS..EExtended strand (participates in β ladder)trans-68.1125.7173-173.6-175.3-16000109.4F42 S63 T64 S65 S66 F68F42-E61 HydrophobicContact CD1-CB 4Å; F42-E61 HydrophobicContact CD1-CG 4.42Å; F42-E61 HydrophobicContact CE1-CB 3.86Å; F42-E61 HydrophobicContact CE1-CG 4.03Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 VanDerWaalsContact CD-OG 3.3Å; E61-S63 WeakPolarHBondContact CG-OG 3.26Å; E61-S63 PolarHBondContact O-N 3.36Å; E61-S63 PolarHBondContact OE1-OG 3.49Å; E61-T64 WeakPolarHBondContact OE2-CB 3.45Å; E61-T64 VanDerWaalsContact OE2-CG2 3.23Å; E61-T64 WeakPolarHBondContact OE2-CG2 3.47Å; E61-T64 PolarHBondContact OE2-OG1 2.77Å; E61-S65 WeakPolarHBondContact O-CA 3.45Å; E61-S65 PolarHBondContact O-N 3.36Å; E61-S66 PolarHBondContact N-O 3.21Å; E61-F68 HydrophobicContact CB-CD2 4.39Å; E61-F68 HydrophobicContact CB-CE2 3.97Å
62I96.1Very high94.6Very high106 Ų10644.9 Ų44.954%0.54425%0.251SS..THydrogen-bonded Turntrans-66.2-38-172.1-65.5170.7000111.6S40 D41 Q60S40-I62 VanDerWaalsContact O-CD1 3.28Å; S40-I62 WeakPolarHBondContact O-CD1 3.44Å; D41-I62 WeakPolarHBondContact O-CG1 3.2Å; D41-I62 PolarHBondContact O-N 3.08Å; Q60-I62 PolarHBondContact O-N 3.07Å
63S94.4Very high95.1Very high93 Ų9341 Ų4165%0.6523%0.228SC*.THydrogen-bonded Turntrans-70.9-39.8-175.357.90000113E61E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 VanDerWaalsContact CD-OG 3.3Å; E61-S63 WeakPolarHBondContact CG-OG 3.26Å; E61-S63 PolarHBondContact O-N 3.36Å; E61-S63 PolarHBondContact OE1-OG 3.49Å
64T94.1Very high95.5Very high68 Ų6841.8 Ų41.842%0.41723%0.234SC..THydrogen-bonded Turntrans-105.6-11.4-17568.20000113.1E61 S66E61-T64 WeakPolarHBondContact OE2-CB 3.45Å; E61-T64 VanDerWaalsContact OE2-CG2 3.23Å; E61-T64 WeakPolarHBondContact OE2-CG2 3.47Å; E61-T64 PolarHBondContact OE2-OG1 2.77Å; T64-S66 WeakPolarHBondContact CB-OG 3.22Å; T64-S66 PolarHBondContact O-N 2.8Å; T64-S66 VanDerWaalsContact O-N 3.17Å; T64-S66 VanDerWaalsContact OG1-CB 3.29Å; T64-S66 WeakPolarHBondContact OG1-CB 3.15Å; T64-S66 PolarHBondContact OG1-N 3.46Å; T64-S66 PolarHBondContact OG1-OG 3.44Å
65S94.1Very high95.7Very high76 Ų7642.3 Ų42.353%0.53123%0.234SC..  trans58.414.5-168.8-63.90000114.5Q60 E61Q60-S65 WeakPolarHBondContact CG-O 3.22Å; Q60-S65 PolarHBondContact NE2-O 2.94Å; E61-S65 WeakPolarHBondContact O-CA 3.45Å; E61-S65 PolarHBondContact O-N 3.36Å
66S93.9Very high95.7Very high53 Ų5346.5 Ų46.537%0.37125%0.252SS..  trans-77.9141.1-178.9-53.80000111.6Q60 E61 T64 F68Q60-S66 CarbonylContact C-O 3.6Å; Q60-S66 WeakPolarHBondContact CA-O 3.09Å; E61-S66 PolarHBondContact N-O 3.21Å; T64-S66 WeakPolarHBondContact CB-OG 3.22Å; T64-S66 PolarHBondContact O-N 2.8Å; T64-S66 VanDerWaalsContact O-N 3.17Å; T64-S66 VanDerWaalsContact OG1-CB 3.29Å; T64-S66 WeakPolarHBondContact OG1-CB 3.15Å; T64-S66 PolarHBondContact OG1-N 3.46Å; T64-S66 PolarHBondContact OG1-OG 3.44Å; S66-F68 WeakPolarHBondContact O-CD2 3.43Å
67E94.6Very high95.8Very high87 Ų8749 Ų4941%0.40726%0.258SS..EExtended strand (participates in β ladder)trans-91.2138.6179.3-64.7-172.6118.200112.1V59 R123V59-E67 CarbonylContact O-C 3.58Å; V59-E67 WeakPolarHBondContact O-CA 2.99Å; E67-R123 IonicContact OE2-CZ 2.73Å; E67-R123 VanDerWaalsContact OE2-CZ 3.3Å; E67-R123 IonicContact OE2-NH1 3.15Å; E67-R123 PolarHBondContact OE2-NH1 3.14Å; E67-R123 IonicContact OE2-NH2 2.86Å; E67-R123 PolarHBondContact OE2-NH2 2.96Å
68F96.4Very high95.8Very high27 Ų2745.9 Ų45.912%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-142.4170.4178.6-57.8-81.4000111.1V59 E61 S66 H106 L118V59-F68 HydrophobicContact CG2-CB 3.85Å; V59-F68 PolarHBondContact N-O 3.1Å; V59-F68 PolarHBondContact O-N 3.42Å; E61-F68 HydrophobicContact CB-CD2 4.39Å; E61-F68 HydrophobicContact CB-CE2 3.97Å; S66-F68 WeakPolarHBondContact O-CD2 3.43Å; F68-H106 AromaticContact CD1-CD2 3.63Å; F68-H106 AromaticContact CD1-NE2 3.6Å; F68-H106 AromaticContact CE1-CD2 3.75Å; F68-H106 AromaticContact CE1-CE1 3.74Å; F68-H106 AromaticContact CE1-NE2 3.51Å; F68-L118 HydrophobicContact CB-CD1 3.6Å; F68-L118 HydrophobicContact CB-CG 4.14Å; F68-L118 HydrophobicContact CD1-CG 4.35Å; F68-L118 HydrophobicContact CD2-CD1 4.11Å; F68-L118 HydrophobicContact CD2-CD2 4.4Å; F68-L118 HydrophobicContact CD2-CG 4.49Å; F68-L118 HydrophobicContact CG-CD1 3.88Å; F68-L118 HydrophobicContact CG-CD2 4.38Å; F68-L118 HydrophobicContact CG-CG 4.09Å
69A97Very high95.7Very high7 Ų749.5 Ų49.56%0.05826%0.258CS..EExtended strand (participates in β ladder)trans-101.3131.3165.100000108.9I48 V56 Y57 L119 Y121I48-A69 HydrophobicContact CD1-CB 4.25Å; V56-A69 HydrophobicContact CG1-CB 4.2Å; Y57-A69 CarbonylContact O-C 3.59Å; Y57-A69 WeakPolarHBondContact O-CA 3.26Å; A69-L119 HydrophobicContact CB-CB 4.34Å; A69-L119 PolarHBondContact N-O 3.11Å; A69-L119 WeakPolarHBondContact O-CA 3.32Å; A69-L119 PolarHBondContact O-N 3.07Å; A69-Y121 HydrophobicContact CB-CD2 4.32Å
70M98Very high95.6Very high0 Ų056.2 Ų56.20%028%0.283CS..EExtended strand (participates in β ladder)trans-112.9112175.3-171.9170.6-71.400110.6F42 F44 V56 Y57 V59 V72 F109 F116 Y117 L118F42-M70 HydrophobicContact CB-CE 4.23Å; F42-M70 HydrophobicContact CD1-CE 4.04Å; F42-M70 HydrophobicContact CD2-CE 3.57Å; F42-M70 HydrophobicContact CE1-CE 4.31Å; F42-M70 HydrophobicContact CE2-CE 3.87Å; F42-M70 HydrophobicContact CG-CE 3.67Å; F42-M70 HydrophobicContact CZ-CE 4.24Å; F44-M70 HydrophobicContact CE1-SD 3.94Å; F44-M70 HydrophobicContact CE2-SD 4.35Å; F44-M70 HydrophobicContact CZ-SD 3.48Å; F44-M70 WeakPolarHBondContact CZ-SD 3.4Å; V56-M70 WeakPolarHBondContact CA-O 3.47Å; Y57-M70 PolarHBondContact N-O 3.1Å; Y57-M70 PolarHBondContact O-N 3.04Å; V59-M70 HydrophobicContact CB-CB 4.32Å; V59-M70 HydrophobicContact CG1-CB 3.49Å; V59-M70 VanDerWaalsContact CG1-CB 3.49Å; V59-M70 HydrophobicContact CG1-CE 4.41Å; V59-M70 HydrophobicContact CG1-CG 4.47Å; V59-M70 HydrophobicContact CG1-SD 4.3Å; V59-M70 HydrophobicContact CG2-CB 3.83Å; V59-M70 HydrophobicContact CG2-CE 4.18Å; M70-V72 HydrophobicContact CG-CG2 4.06Å; M70-V72 HydrophobicContact SD-CG2 4.45Å; M70-F109 HydrophobicContact CE-CE1 4.01Å; M70-F109 HydrophobicContact CE-CZ 3.54Å; M70-F109 HydrophobicContact SD-CZ 4.07Å; M70-F116 HydrophobicContact CG-CD1 4.29Å; M70-F116 HydrophobicContact SD-CB 4.38Å; M70-F116 HydrophobicContact SD-CD1 3.65Å; M70-F116 HydrophobicContact SD-CE1 4.46Å; M70-F116 HydrophobicContact SD-CG 4.43Å; M70-Y117 WeakPolarHBondContact CA-O 3.42Å; M70-L118 HydrophobicContact CE-CD1 3.81Å
71K97.5Very high95.2Very high20 Ų2059.6 Ų59.69%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-84.2114169.9-173.1-179.8-165.7179.60108.7S54 V56 V73 E90 F116 Y117 L119S54-K71 VanDerWaalsContact OG-CE 3.25Å; S54-K71 WeakPolarHBondContact OG-CE 3.44Å; V56-K71 HydrophobicContact CG2-CB 4.21Å; V56-K71 HydrophobicContact CG2-CG 4.09Å; K71-V73 HydrophobicContact CD-CG2 4.47Å; K71-V73 HydrophobicContact CG-CG2 4.11Å; K71-E90 IonicContact NZ-OE1 2.88Å; K71-E90 PolarHBondContact NZ-OE1 2.7Å; K71-E90 IonicContact NZ-OE2 3.75Å; K71-E90 PolarHBondContact NZ-OE2 2.73Å; K71-F116 WeakPolarHBondContact O-CA 3.29Å; K71-Y117 PolarHBondContact N-O 2.86Å; K71-Y117 PolarHBondContact O-N 3.34Å; K71-L119 HydrophobicContact CB-CD1 4.03Å
72V97.4Very high95Very high16 Ų1666.2 Ų66.210%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-102.1117.4178.9-174.20000108.6F44 S54 T55 Y57 M70 R114 L115 F116F44-V72 HydrophobicContact CE1-CG2 4.05Å; S54-V72 CarbonylContact C-O 3.51Å; S54-V72 WeakPolarHBondContact CA-O 3.25Å; S54-V72 WeakPolarHBondContact CB-O 3.4Å; T55-V72 PolarHBondContact N-O 2.84Å; T55-V72 PolarHBondContact O-N 2.92Å; Y57-V72 HydrophobicContact CD2-CG2 3.87Å; Y57-V72 HydrophobicContact CE2-CB 4.39Å; Y57-V72 HydrophobicContact CE2-CG2 4.02Å; M70-V72 HydrophobicContact CG-CG2 4.06Å; M70-V72 HydrophobicContact SD-CG2 4.45Å; V72-R114 HydrophobicContact CG1-CB 4.25Å; V72-R114 HydrophobicContact CG1-CG 4.19Å; V72-L115 CarbonylContact C-O 2.9Å; V72-L115 WeakPolarHBondContact CA-O 3.29Å; V72-F116 HydrophobicContact CB-CD1 4.46Å; V72-F116 HydrophobicContact CB-CE1 4.47Å; V72-F116 HydrophobicContact CG1-CD1 4.16Å; V72-F116 HydrophobicContact CG1-CE1 3.77Å; V72-F116 HydrophobicContact CG1-CZ 4.41Å; V72-F116 HydrophobicContact CG2-CD1 3.9Å; V72-F116 HydrophobicContact CG2-CE1 4.02Å
73V97.2Very high94.7Very high1 Ų161.7 Ų61.71%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-113.1126.4-173-171.90000109.8F53 K71 V78 V87 R114 L115 Y117F53-V73 HydrophobicContact CD2-CG1 3.75Å; F53-V73 HydrophobicContact CE2-CG1 4.15Å; K71-V73 HydrophobicContact CD-CG2 4.47Å; K71-V73 HydrophobicContact CG-CG2 4.11Å; V73-V78 HydrophobicContact CG1-CG2 3.48Å; V73-V78 VanDerWaalsContact CG1-CG2 3.48Å; V73-V87 HydrophobicContact CG1-CG2 4.17Å; V73-R114 CarbonylContact O-C 3.56Å; V73-R114 WeakPolarHBondContact O-CA 3.15Å; V73-L115 HydrophobicContact CB-CB 4.07Å; V73-L115 HydrophobicContact CB-CD1 4.4Å; V73-L115 HydrophobicContact CG1-CD1 4.38Å; V73-L115 PolarHBondContact N-O 2.95Å; V73-L115 PolarHBondContact O-N 3.29Å; V73-Y117 HydrophobicContact CG2-CD2 3.99Å; V73-Y117 HydrophobicContact CG2-CE2 3.75Å
74D97.2Very high94.6Very high55 Ų5558.8 Ų58.829%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-84.4114.6179.5178.8-40.7000111F53 Q76 R77 V78F53-D74 PolarHBondContact O-N 3.1Å; D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 2.85Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.49Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.42Å; D74-Q76 PolarHBondContact OD1-N 3.23Å; D74-R77 HydrophobicContact CB-CB 3.98Å; D74-R77 HydrophobicContact CB-CG 4.04Å; D74-R77 PolarHBondContact O-N 2.99Å; D74-R77 PolarHBondContact OD1-N 3.13Å; D74-V78 VanDerWaalsContact O-CG2 3.26Å; D74-V78 WeakPolarHBondContact O-CG2 3.48Å; D74-V78 PolarHBondContact O-N 3.28Å
75K97.4Very high94.5Very high25 Ų2558.5 Ų58.511%0.10928%0.275CS..Hα-helixtrans-61.6-37.1-177.3-66.2176.2175.1178.90112.7F20 W79 Q110 D111 T113 R114 L115F20-K75 HydrophobicContact CE1-CG 4.44Å; K75-W79 WeakPolarHBondContact O-CB 3.29Å; K75-W79 PolarHBondContact O-N 2.87Å; K75-Q110 VanDerWaalsContact CE-OE1 3.3Å; K75-D111 PolarHBondContact NZ-O 2.99Å; K75-T113 VanDerWaalsContact CB-O 3.3Å; K75-T113 WeakPolarHBondContact CB-O 3.11Å; K75-T113 WeakPolarHBondContact CG-O 3.42Å; K75-T113 PolarHBondContact N-O 3.4Å; K75-R114 WeakPolarHBondContact CE-O 3.19Å; K75-L115 HydrophobicContact CD-CD2 4.42Å; K75-L115 HydrophobicContact CG-CD2 4.31Å; K75-L115 HydrophobicContact CG-CG 4.06Å
76Q95.7Very high94.4Very high110 Ų11055.4 Ų55.451%0.51425%0.253SS..Hα-helixtrans-70.7-41-179-165.7-177.645.800110.5D74 W79 R80D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 2.85Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.49Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.42Å; D74-Q76 PolarHBondContact OD1-N 3.23Å; Q76-W79 PolarHBondContact O-N 2.78Å; Q76-R80 VanDerWaalsContact NE2-NH2 3.13Å; Q76-R80 WeakPolarHBondContact O-CB 3.46Å; Q76-R80 VanDerWaalsContact O-CG 3.32Å; Q76-R80 WeakPolarHBondContact O-CG 3.43Å; Q76-R80 PolarHBondContact O-N 3.47Å; Q76-R80 VanDerWaalsContact OE1-NH2 3.11Å
77R94.4Very high94.4Very high82 Ų8252.9 Ų52.931%0.30924%0.236SC..Hα-helixtrans-64.9-47173.6-69.6176.572.2167.45.9111T52 F53 D74 W79 R80 Y81T52-R77 PolarHBondContact O-NE 2.97Å; T52-R77 VanDerWaalsContact O-NE 3.09Å; T52-R77 PolarHBondContact O-NH2 2.85Å; F53-R77 HydrophobicContact CB-CB 3.75Å; D74-R77 HydrophobicContact CB-CB 3.98Å; D74-R77 HydrophobicContact CB-CG 4.04Å; D74-R77 PolarHBondContact O-N 2.99Å; D74-R77 PolarHBondContact OD1-N 3.13Å; R77-W79 PolarHBondContact O-N 2.98Å; R77-R80 PolarHBondContact O-N 2.9Å; R77-R80 VanDerWaalsContact O-N 3.07Å; R77-Y81 HydrophobicContact CB-CD2 4.25Å; R77-Y81 HydrophobicContact CB-CE2 4.46Å; R77-Y81 VanDerWaalsContact O-CD2 3.24Å; R77-Y81 WeakPolarHBondContact O-CD2 3.16Å; R77-Y81 PolarHBondContact O-N 3.4Å
78V94.2Very high94.3Very high0 Ų050.6 Ų50.60%023%0.226CC..Hα-helixtrans-52.4-45.5175.8169.80000111.1F20 F53 V73 D74 K82 A83 V84 V87F20-V78 HydrophobicContact CZ-CG1 4.27Å; F53-V78 HydrophobicContact CB-CG2 4.12Å; F53-V78 HydrophobicContact CD2-CG2 3.55Å; F53-V78 HydrophobicContact CE2-CG2 4.15Å; F53-V78 HydrophobicContact CG-CG2 3.9Å; V73-V78 HydrophobicContact CG1-CG2 3.48Å; V73-V78 VanDerWaalsContact CG1-CG2 3.48Å; D74-V78 VanDerWaalsContact O-CG2 3.26Å; D74-V78 WeakPolarHBondContact O-CG2 3.48Å; D74-V78 PolarHBondContact O-N 3.28Å; V78-K82 PolarHBondContact O-N 3.5Å; V78-K82 VanDerWaalsContact O-N 3.11Å; V78-A83 HydrophobicContact CG1-CB 4.37Å; V78-A83 PolarHBondContact O-N 3.37Å; V78-V84 HydrophobicContact CG1-CB 4.49Å; V78-V84 HydrophobicContact CG1-CG2 3.94Å; V78-V87 HydrophobicContact CG1-CB 4.48Å; V78-V87 HydrophobicContact CG1-CG2 3.9Å; V78-V87 HydrophobicContact CG2-CG2 3.77Å
79W91.5Very high94.2Very high102 Ų10249.4 Ų49.439%0.38622%0.221SC..Hα-helixtrans-65.1-46.4176.7-176.586.7000112.8R13 V17 K75 Q76 R77 Y81 K82R13-W79 HydrophobicContact CB-CZ2 4.03Å; R13-W79 HydrophobicContact CG-CZ2 3.89Å; V17-W79 HydrophobicContact CG2-CG 4.18Å; K75-W79 WeakPolarHBondContact O-CB 3.29Å; K75-W79 PolarHBondContact O-N 2.87Å; Q76-W79 PolarHBondContact O-N 2.78Å; R77-W79 PolarHBondContact O-N 2.98Å; W79-Y81 PolarHBondContact O-N 3.42Å; W79-K82 PolarHBondContact O-N 3.37Å; W79-K82 VanDerWaalsContact O-N 3.12Å
80R93.3Very high94.1Very high143 Ų14349.3 Ų49.354%0.5422%0.219SC..Hα-helixtrans-60.1-42.3178.5-76.5176.4179.1137.6-0.8112.4Q76 R77 K82Q76-R80 VanDerWaalsContact NE2-NH2 3.13Å; Q76-R80 WeakPolarHBondContact O-CB 3.46Å; Q76-R80 VanDerWaalsContact O-CG 3.32Å; Q76-R80 WeakPolarHBondContact O-CG 3.43Å; Q76-R80 PolarHBondContact O-N 3.47Å; Q76-R80 VanDerWaalsContact OE1-NH2 3.11Å; R77-R80 PolarHBondContact O-N 2.9Å; R77-R80 VanDerWaalsContact O-N 3.07Å; R80-K82 VanDerWaalsContact C-N 3.26Å; R80-K82 PolarHBondContact O-N 2.9Å
81Y89.6Confident93.9Very high141 Ų14149.8 Ų49.855%0.55322%0.221SC*.THydrogen-bonded Turntrans-83.84.5178.3-72.2-77.9000113.4T52 R77 W79 A83T52-Y81 HydrophobicContact CG2-CD1 3.94Å; T52-Y81 HydrophobicContact CG2-CD2 4.16Å; T52-Y81 HydrophobicContact CG2-CE1 3.87Å; T52-Y81 HydrophobicContact CG2-CE2 4.11Å; T52-Y81 HydrophobicContact CG2-CG 4.1Å; R77-Y81 HydrophobicContact CB-CD2 4.25Å; R77-Y81 HydrophobicContact CB-CE2 4.46Å; R77-Y81 VanDerWaalsContact O-CD2 3.24Å; R77-Y81 WeakPolarHBondContact O-CD2 3.16Å; R77-Y81 PolarHBondContact O-N 3.4Å; W79-Y81 PolarHBondContact O-N 3.42Å; Y81-A83 PolarHBondContact O-N 3.47Å
82K90.8Very high93.8Very high179 Ų17950.9 Ų50.978%0.77823%0.227SC*.THydrogen-bonded Turntrans54.630.6-178.3-55.3177.1-177.5172.10113.6V78 W79 R80 V84V78-K82 PolarHBondContact O-N 3.5Å; V78-K82 VanDerWaalsContact O-N 3.11Å; W79-K82 PolarHBondContact O-N 3.37Å; W79-K82 VanDerWaalsContact O-N 3.12Å; R80-K82 VanDerWaalsContact C-N 3.26Å; R80-K82 PolarHBondContact O-N 2.9Å; K82-V84 VanDerWaalsContact C-N 3.34Å; K82-V84 PolarHBondContact O-N 2.67Å
83A91Very high93.8Very high11 Ų1150.1 Ų50.19%0.09122%0.222CC..  trans-93.518.9-174.800000113.7F53 V78 Y81 D85 S86 V87F53-A83 HydrophobicContact CD1-CB 4.01Å; F53-A83 HydrophobicContact CE1-CB 3.59Å; F53-A83 HydrophobicContact CZ-CB 4.03Å; V78-A83 HydrophobicContact CG1-CB 4.37Å; V78-A83 PolarHBondContact O-N 3.37Å; Y81-A83 PolarHBondContact O-N 3.47Å; A83-D85 VanDerWaalsContact C-N 3.35Å; A83-D85 PolarHBondContact O-N 3.24Å; A83-S86 PolarHBondContact O-N 2.78Å; A83-V87 WeakPolarHBondContact O-CG2 3.43Å; A83-V87 PolarHBondContact O-N 2.96Å; A83-V87 VanDerWaalsContact O-N 3.13Å
84V92.4Very high93.8Very high32 Ų3250.4 Ų50.419%0.19422%0.223CC..Hα-helixtrans-58.9-45.7-177.2170.60000111.4F20 V78 K82 S86 V87 L88F20-V84 HydrophobicContact CB-CG1 4.24Å; F20-V84 HydrophobicContact CD2-CG1 3.52Å; F20-V84 HydrophobicContact CE2-CG1 4.02Å; F20-V84 HydrophobicContact CG-CG1 4.04Å; V78-V84 HydrophobicContact CG1-CB 4.49Å; V78-V84 HydrophobicContact CG1-CG2 3.94Å; K82-V84 VanDerWaalsContact C-N 3.34Å; K82-V84 PolarHBondContact O-N 2.67Å; V84-S86 VanDerWaalsContact C-N 3.34Å; V84-S86 PolarHBondContact O-N 2.83Å; V84-V87 PolarHBondContact O-N 2.87Å; V84-L88 HydrophobicContact CG1-CD1 4.15Å; V84-L88 WeakPolarHBondContact O-CG 3.46Å; V84-L88 PolarHBondContact O-N 3.48Å; V84-L88 VanDerWaalsContact O-N 3.07Å
85D91.2Very high93.7Very high62 Ų6252.3 Ų52.333%0.33223%0.229SC..Hα-helixtrans-66.5-36.6-178.5-62.8-40.9000111.4A83 L88 M89A83-D85 VanDerWaalsContact C-N 3.35Å; A83-D85 PolarHBondContact O-N 3.24Å; D85-L88 PolarHBondContact O-N 3.4Å; D85-M89 VanDerWaalsContact O-CB 3.22Å; D85-M89 WeakPolarHBondContact O-CB 3.49Å; D85-M89 PolarHBondContact O-N 2.87Å
86S91.9Very high93.5Very high11 Ų1155.8 Ų55.88%0.07724%0.241CC..Hα-helixtrans-62.5-44.6174.4-66.10000112.7A83 V84 M89 E90 G185 P198A83-S86 PolarHBondContact O-N 2.78Å; V84-S86 VanDerWaalsContact C-N 3.34Å; V84-S86 PolarHBondContact O-N 2.83Å; S86-M89 PolarHBondContact O-N 3.35Å; S86-E90 WeakPolarHBondContact O-CB 3.42Å; S86-E90 PolarHBondContact O-N 2.91Å; S86-G185 WeakPolarHBondContact CA-O 3.29Å; S86-G185 WeakPolarHBondContact CB-O 3.35Å; S86-G185 PolarHBondContact OG-O 3.31Å; S86-G185 VanDerWaalsContact OG-O 3.13Å; S86-P198 VanDerWaalsContact OG-CB 3.27Å; S86-P198 WeakPolarHBondContact OG-CB 3.4Å
87V93.9Very high93.5Very high0 Ų050.9 Ų50.90%022%0.219CC..Hα-helixtrans-68.1-39.3179.9173.90000111.9F20 F53 V73 V78 A83 V84 K91 L115 Y117F20-V87 HydrophobicContact CE2-CB 4.29Å; F20-V87 HydrophobicContact CE2-CG1 4.06Å; F20-V87 HydrophobicContact CZ-CB 4.38Å; F20-V87 HydrophobicContact CZ-CG1 3.92Å; F53-V87 HydrophobicContact CD2-CG2 4.39Å; F53-V87 HydrophobicContact CE2-CG2 3.69Å; F53-V87 HydrophobicContact CZ-CG2 4.21Å; V73-V87 HydrophobicContact CG1-CG2 4.17Å; V78-V87 HydrophobicContact CG1-CB 4.48Å; V78-V87 HydrophobicContact CG1-CG2 3.9Å; V78-V87 HydrophobicContact CG2-CG2 3.77Å; A83-V87 WeakPolarHBondContact O-CG2 3.43Å; A83-V87 PolarHBondContact O-N 2.96Å; A83-V87 VanDerWaalsContact O-N 3.13Å; V84-V87 PolarHBondContact O-N 2.87Å; V87-K91 PolarHBondContact O-N 3.32Å; V87-K91 VanDerWaalsContact O-N 3.17Å; V87-L115 HydrophobicContact CG1-CD1 3.67Å; V87-Y117 VanDerWaalsContact CG1-OH 3.29Å; V87-Y117 WeakPolarHBondContact CG1-OH 3.48Å; V87-Y117 PolarHBondContact O-OH 3.49Å
88L93Very high93.6Very high38 Ų3852.7 Ų52.720%0.19924%0.235CC..Hα-helixtrans-67.2-42174.9-70.5178.3000111.7F20 A23 V84 D85 K91 E92F20-L88 HydrophobicContact CD2-CD1 4.08Å; F20-L88 HydrophobicContact CD2-CD2 3.7Å; F20-L88 HydrophobicContact CD2-CG 3.78Å; F20-L88 HydrophobicContact CE2-CD2 3.85Å; F20-L88 HydrophobicContact CE2-CG 3.89Å; A23-L88 HydrophobicContact CB-CD2 4.26Å; V84-L88 HydrophobicContact CG1-CD1 4.15Å; V84-L88 WeakPolarHBondContact O-CG 3.46Å; V84-L88 PolarHBondContact O-N 3.48Å; V84-L88 VanDerWaalsContact O-N 3.07Å; D85-L88 PolarHBondContact O-N 3.4Å; L88-K91 PolarHBondContact O-N 3.24Å; L88-E92 PolarHBondContact O-N 3.04Å
89M93Very high93.8Very high2 Ų254.7 Ų54.71%0.0124%0.244CC..Hα-helixtrans-62.2-47.5177.2-175.462.471.300111.6D85 S86 K91 E92 V93 A187 I189 I195 P198D85-M89 VanDerWaalsContact O-CB 3.22Å; D85-M89 WeakPolarHBondContact O-CB 3.49Å; D85-M89 PolarHBondContact O-N 2.87Å; S86-M89 PolarHBondContact O-N 3.35Å; M89-K91 VanDerWaalsContact C-N 3.34Å; M89-K91 PolarHBondContact O-N 3.05Å; M89-E92 PolarHBondContact O-N 2.97Å; M89-E92 VanDerWaalsContact O-N 3.14Å; M89-V93 HydrophobicContact CG-CG2 4.45Å; M89-V93 WeakPolarHBondContact O-CG2 3.26Å; M89-V93 PolarHBondContact O-N 2.91Å; M89-V93 HydrophobicContact SD-CG2 4.24Å; M89-A187 HydrophobicContact CG-CB 4.34Å; M89-A187 VanDerWaalsContact CG-O 3.24Å; M89-A187 WeakPolarHBondContact CG-O 3.21Å; M89-I189 HydrophobicContact SD-CD1 4.09Å; M89-I189 HydrophobicContact SD-CG1 3.86Å; M89-I195 HydrophobicContact CB-CG2 4.5Å; M89-I195 HydrophobicContact CE-CB 4.34Å; M89-I195 HydrophobicContact CE-CG2 3.63Å; M89-I195 HydrophobicContact SD-CG2 4.25Å; M89-P198 HydrophobicContact CB-CG 4.27Å; M89-P198 HydrophobicContact CG-CG 4.28Å
90E95.3Very high94Very high6 Ų653.6 Ų53.63%0.02825%0.245CC..Hα-helixtrans-58-46.7177.8-177.8174.8-160.700111.5K71 S86 E92 V93 L94 F184K71-E90 IonicContact NZ-OE1 2.88Å; K71-E90 PolarHBondContact NZ-OE1 2.7Å; K71-E90 IonicContact NZ-OE2 3.75Å; K71-E90 PolarHBondContact NZ-OE2 2.73Å; S86-E90 WeakPolarHBondContact O-CB 3.42Å; S86-E90 PolarHBondContact O-N 2.91Å; E90-E92 VanDerWaalsContact C-N 3.32Å; E90-E92 PolarHBondContact O-N 3.48Å; E90-V93 PolarHBondContact O-N 3.18Å; E90-L94 HydrophobicContact CG-CD1 3.84Å; E90-L94 HydrophobicContact CG-CG 4.44Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 VanDerWaalsContact O-CG 3.31Å; E90-L94 WeakPolarHBondContact O-CG 3.3Å; E90-L94 PolarHBondContact O-N 2.94Å; E90-F184 HydrophobicContact CG-CB 4.24Å
91K95.1Very high94.3Very high9 Ų946.8 Ų46.84%0.03922%0.219CC..Hα-helixtrans-57.2-47175.2174.9174.5169.1-164.70111.2A23 M24 D27 V87 L88 M89 K95 Y117A23-K91 PolarHBondContact O-NZ 3.4Å; M24-K91 HydrophobicContact CE-CD 3.4Å; M24-K91 PolarHBondContact O-NZ 2.7Å; D27-K91 VanDerWaalsContact OD2-CE 3.27Å; D27-K91 WeakPolarHBondContact OD2-CE 3.19Å; D27-K91 IonicContact OD2-NZ 3.34Å; D27-K91 PolarHBondContact OD2-NZ 3.43Å; V87-K91 PolarHBondContact O-N 3.32Å; V87-K91 VanDerWaalsContact O-N 3.17Å; L88-K91 PolarHBondContact O-N 3.24Å; M89-K91 VanDerWaalsContact C-N 3.34Å; M89-K91 PolarHBondContact O-N 3.05Å; K91-K95 HydrophobicContact CG-CD 4.02Å; K91-K95 HydrophobicContact CG-CG 4.41Å; K91-K95 WeakPolarHBondContact O-CB 3.5Å; K91-K95 VanDerWaalsContact O-CG 3.31Å; K91-K95 WeakPolarHBondContact O-CG 3.38Å; K91-K95 PolarHBondContact O-N 3.25Å; K91-Y117 HydrophobicContact CB-CE1 3.86Å; K91-Y117 HydrophobicContact CG-CE1 4.46Å
92E94.8Very high94.7Very high44 Ų4440.2 Ų40.221%0.20619%0.194CC..Hα-helixtrans-66.4-44.5-176.3-173.270.2-177.400112.1L88 M89 E90 K95 R96 I189 I195L88-E92 PolarHBondContact O-N 3.04Å; M89-E92 PolarHBondContact O-N 2.97Å; M89-E92 VanDerWaalsContact O-N 3.14Å; E90-E92 VanDerWaalsContact C-N 3.32Å; E90-E92 PolarHBondContact O-N 3.48Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-R96 VanDerWaalsContact O-CG 3.32Å; E92-R96 WeakPolarHBondContact O-CG 3.22Å; E92-R96 PolarHBondContact O-N 2.85Å; E92-R96 VanDerWaalsContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.15Å; E92-R96 IonicContact OE1-NE 3.41Å; E92-R96 PolarHBondContact OE1-NE 3.03Å; E92-R96 IonicContact OE1-NH2 3.7Å; E92-R96 PolarHBondContact OE1-NH2 3.4Å; E92-I189 HydrophobicContact CB-CD1 4.06Å; E92-I189 HydrophobicContact CG-CD1 3.48Å; E92-I189 VanDerWaalsContact CG-CD1 3.48Å; E92-I195 HydrophobicContact CB-CD1 3.3Å; E92-I195 HydrophobicContact CG-CD1 3.33Å
93V96.2Very high95Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-59.7-51.6177.41690000110M89 E90 K95 R96 T97 I161 F184 A187 I189M89-V93 HydrophobicContact CG-CG2 4.45Å; M89-V93 WeakPolarHBondContact O-CG2 3.26Å; M89-V93 PolarHBondContact O-N 2.91Å; M89-V93 HydrophobicContact SD-CG2 4.24Å; E90-V93 PolarHBondContact O-N 3.18Å; V93-K95 PolarHBondContact O-N 3.23Å; V93-R96 PolarHBondContact O-N 2.89Å; V93-T97 HydrophobicContact CG1-CG2 4.11Å; V93-T97 WeakPolarHBondContact O-CG2 3.43Å; V93-T97 PolarHBondContact O-N 3.5Å; V93-T97 PolarHBondContact O-OG1 3.36Å; V93-T97 VanDerWaalsContact O-OG1 3.12Å; V93-I161 HydrophobicContact CG1-CD1 4.1Å; V93-I161 HydrophobicContact CG1-CG2 3.99Å; V93-I161 HydrophobicContact CG2-CD1 4.38Å; V93-I161 HydrophobicContact CG2-CG2 3.89Å; V93-F184 HydrophobicContact CB-CB 3.94Å; V93-F184 HydrophobicContact CB-CG 4.21Å; V93-F184 HydrophobicContact CG1-CB 3.76Å; V93-F184 HydrophobicContact CG1-CD1 3.48Å; V93-F184 VanDerWaalsContact CG1-CD1 3.48Å; V93-F184 HydrophobicContact CG1-CD2 4.06Å; V93-F184 HydrophobicContact CG1-CE1 4.05Å; V93-F184 HydrophobicContact CG1-CG 3.47Å; V93-F184 VanDerWaalsContact CG1-CG 3.47Å; V93-F184 HydrophobicContact CG2-CB 4.5Å; V93-A187 HydrophobicContact CG2-CB 3.96Å; V93-I189 HydrophobicContact CG2-CD1 4.05Å; V93-I189 HydrophobicContact CG2-CG1 3.89Å
94L97Very high95.3Very high6 Ų634.6 Ų34.63%0.03117%0.169CC..Hα-helixtrans-61.1-29.7179.7-74.8174.1000113.7E90 L105 Y117 L119 F184E90-L94 HydrophobicContact CG-CD1 3.84Å; E90-L94 HydrophobicContact CG-CG 4.44Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 VanDerWaalsContact O-CG 3.31Å; E90-L94 WeakPolarHBondContact O-CG 3.3Å; E90-L94 PolarHBondContact O-N 2.94Å; L94-L105 HydrophobicContact CB-CB 3.82Å; L94-L105 HydrophobicContact CB-CD2 3.58Å; L94-L105 HydrophobicContact CB-CG 4.29Å; L94-L105 HydrophobicContact CD1-CD2 4.49Å; L94-Y117 HydrophobicContact CD1-CD1 4.28Å; L94-L119 HydrophobicContact CD1-CD2 4.04Å; L94-F184 HydrophobicContact CD2-CD2 3.6Å; L94-F184 HydrophobicContact CD2-CE2 3.76Å; L94-F184 HydrophobicContact CG-CD2 3.97Å
95K95.4Very high95.6Very high95 Ų9533.9 Ų33.941%0.41316%0.164SC..Hα-helixtrans-73.5-28.4174.2-80.3-178.471.9-160.70113.2D27 K91 E92 V93 L105D27-K95 IonicContact OD1-NZ 3.06Å; D27-K95 PolarHBondContact OD1-NZ 3.19Å; D27-K95 IonicContact OD2-NZ 3.95Å; D27-K95 PolarHBondContact OD2-NZ 2.59Å; K91-K95 HydrophobicContact CG-CD 4.02Å; K91-K95 HydrophobicContact CG-CG 4.41Å; K91-K95 WeakPolarHBondContact O-CB 3.5Å; K91-K95 VanDerWaalsContact O-CG 3.31Å; K91-K95 WeakPolarHBondContact O-CG 3.38Å; K91-K95 PolarHBondContact O-N 3.25Å; E92-K95 PolarHBondContact O-N 3.37Å; V93-K95 PolarHBondContact O-N 3.23Å; K95-L105 HydrophobicContact CG-CD2 3.99Å
96R94.1Very high95.7Very high98 Ų9835.2 Ų35.237%0.3717%0.167SC..Hα-helixtrans-89-23.5-177.4-70.4176.4-177.3-146.95.4112.7E92 V93E92-R96 VanDerWaalsContact O-CG 3.32Å; E92-R96 WeakPolarHBondContact O-CG 3.22Å; E92-R96 PolarHBondContact O-N 2.85Å; E92-R96 VanDerWaalsContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.15Å; E92-R96 IonicContact OE1-NE 3.41Å; E92-R96 PolarHBondContact OE1-NE 3.03Å; E92-R96 IonicContact OE1-NH2 3.7Å; E92-R96 PolarHBondContact OE1-NH2 3.4Å; V93-R96 PolarHBondContact O-N 2.89Å
97T96.3Very high95.9Very high7 Ų736.4 Ų36.44%0.04318%0.175CC..  trans-93.1133.2-175.555.80000111.6V93 I102 Y155 L156 I161V93-T97 HydrophobicContact CG1-CG2 4.11Å; V93-T97 WeakPolarHBondContact O-CG2 3.43Å; V93-T97 PolarHBondContact O-N 3.5Å; V93-T97 PolarHBondContact O-OG1 3.36Å; V93-T97 VanDerWaalsContact O-OG1 3.12Å; T97-I102 HydrophobicContact CG2-CD1 4.43Å; T97-Y155 HydrophobicContact CG2-CE1 3.99Å; T97-L156 HydrophobicContact CG2-CD2 3.75Å; T97-I161 HydrophobicContact CG2-CD1 3.89Å
98N95.5Very high96Very high121 Ų12137.7 Ų37.765%0.64718%0.183SC*.  trans-144.490.7169.1-175.328.7000108.1Y155N98-Y155 PolarHBondContact N-OH 3.03Å
99H97.8Very high96.1Very high42 Ų4236.4 Ų36.419%0.19418%0.176CC..  trans-143.3145-173.2-174.3-97.9000110.7F101 I102 Y155H99-F101 AromaticContact CE1-CD2 3.75Å; H99-F101 PolarHBondContact ND1-N 2.83Å; H99-F101 PolarHBondContact O-N 2.85Å; H99-F101 VanDerWaalsContact O-N 3.15Å; H99-I102 HydrophobicContact CB-CB 4.25Å; H99-I102 HydrophobicContact CB-CD1 3.97Å; H99-I102 HydrophobicContact CB-CG1 4.14Å; H99-I102 PolarHBondContact O-N 2.95Å; H99-I102 VanDerWaalsContact O-N 3.08Å; H99-I102 VanDerWaalsContact O-O 3.14Å; H99-Y155 HydrophobicContact CB-CD1 3.63Å; H99-Y155 HydrophobicContact CB-CD2 4.3Å; H99-Y155 HydrophobicContact CB-CE1 3.66Å; H99-Y155 HydrophobicContact CB-CE2 4.34Å; H99-Y155 HydrophobicContact CB-CG 3.95Å; H99-Y155 AromaticContact CD2-CD2 3.73Å; H99-Y155 AromaticContact CD2-CG 3.65Å; H99-Y155 AromaticContact CG-CD1 3.94Å; H99-Y155 AromaticContact CG-CG 3.81Å
100I96.8Very high96.2Very high78 Ų7838.8 Ų38.840%0.419%0.187SC..THydrogen-bonded Turntrans-59.8-32.3-172.7-165.6169.8000113.1K180 P326I100-K180 WeakPolarHBondContact O-CD 3.49Å; I100-K180 WeakPolarHBondContact O-CE 3.49Å; I100-K180 PolarHBondContact O-NZ 3.17Å; I100-P326 HydrophobicContact CD1-CB 3.61Å; I100-P326 HydrophobicContact CG2-CB 4.07Å; I100-P326 HydrophobicContact CG2-CG 4.24Å
101F98.4Very high96.2Very high1 Ų140.5 Ų40.50%0.00420%0.196CC..THydrogen-bonded Turntrans-99.416.6-179.7-59-42.3000114.4H99 E148 T151 A152 H178 I179 K180 L181 L325 P326H99-F101 AromaticContact CE1-CD2 3.75Å; H99-F101 PolarHBondContact ND1-N 2.83Å; H99-F101 PolarHBondContact O-N 2.85Å; H99-F101 VanDerWaalsContact O-N 3.15Å; F101-E148 HydrophobicContact CD1-CB 4.36Å; F101-E148 HydrophobicContact CD2-CB 4.13Å; F101-E148 HydrophobicContact CE1-CB 4.27Å; F101-E148 HydrophobicContact CE1-CG 3.96Å; F101-E148 WeakPolarHBondContact CE1-OE1 3.46Å; F101-E148 HydrophobicContact CE2-CB 4.05Å; F101-E148 HydrophobicContact CE2-CG 4.05Å; F101-E148 HydrophobicContact CG-CB 4.3Å; F101-E148 HydrophobicContact CZ-CB 4.12Å; F101-E148 HydrophobicContact CZ-CG 3.7Å; F101-T151 HydrophobicContact CD2-CG2 4.01Å; F101-T151 HydrophobicContact CE2-CG2 4.03Å; F101-A152 HydrophobicContact CB-CB 3.92Å; F101-H178 HydrophobicContact CE1-CB 4.41Å; F101-I179 WeakPolarHBondContact CA-O 3.44Å; F101-I179 HydrophobicContact CB-CD1 3.81Å; F101-I179 HydrophobicContact CB-CG1 4.1Å; F101-I179 HydrophobicContact CD1-CG1 4.21Å; F101-I179 HydrophobicContact CG-CD1 4.46Å; F101-I179 HydrophobicContact CG-CG1 4.27Å; F101-K180 CarbonylContact O-C 3.54Å; F101-K180 WeakPolarHBondContact O-CA 3.3Å; F101-L181 PolarHBondContact O-N 2.84Å; F101-L325 HydrophobicContact CE2-CD2 4.33Å; F101-L325 HydrophobicContact CZ-CG 4.33Å; F101-P326 HydrophobicContact CE1-CB 4.5Å; F101-P326 HydrophobicContact CE2-CG 4.25Å; F101-P326 HydrophobicContact CZ-CB 3.99Å; F101-P326 HydrophobicContact CZ-CG 3.99Å
102I98.6Very high96.2Very high2 Ų245.4 Ų45.41%0.0123%0.232CC..BIsolated β-bridgetrans-123.5138.8175.9-63.7177000108.3T97 H99 H104 A152 Y155 L156 L181 F184T97-I102 HydrophobicContact CG2-CD1 4.43Å; H99-I102 HydrophobicContact CB-CB 4.25Å; H99-I102 HydrophobicContact CB-CD1 3.97Å; H99-I102 HydrophobicContact CB-CG1 4.14Å; H99-I102 PolarHBondContact O-N 2.95Å; H99-I102 VanDerWaalsContact O-N 3.08Å; H99-I102 VanDerWaalsContact O-O 3.14Å; I102-H104 PolarHBondContact O-N 3.4Å; I102-A152 HydrophobicContact CG1-CB 4.2Å; I102-Y155 HydrophobicContact CD1-CD1 3.55Å; I102-Y155 HydrophobicContact CD1-CE1 3.99Å; I102-L156 HydrophobicContact CD1-CD1 4.31Å; I102-L156 HydrophobicContact CD1-CD2 3.74Å; I102-L156 HydrophobicContact CD1-CG 3.76Å; I102-L181 HydrophobicContact CG1-CB 4.4Å; I102-F184 HydrophobicContact CG2-CE2 3.85Å; I102-F184 HydrophobicContact CG2-CZ 3.65Å
103I97.9Very high96.2Very high7 Ų747 Ų474%0.03625%0.245CC..  trans-56.3123.8175.5-74-65.1000109.9L119 E120 A122 L172 K180 L181 A182I103-L119 HydrophobicContact CG2-CB 4.01Å; I103-L119 HydrophobicContact CG2-CD2 4.17Å; I103-L119 HydrophobicContact CG2-CG 4.46Å; I103-E120 HydrophobicContact CD1-CB 4.45Å; I103-E120 HydrophobicContact CG2-CB 4.49Å; I103-A122 HydrophobicContact CD1-CB 4.09Å; I103-L172 HydrophobicContact CD1-CD1 4.02Å; I103-L172 HydrophobicContact CG1-CD1 4.11Å; I103-K180 HydrophobicContact CD1-CB 3.39Å; I103-K180 HydrophobicContact CD1-CG 3.89Å; I103-K180 HydrophobicContact CG1-CB 3.71Å; I103-L181 PolarHBondContact N-O 2.88Å; I103-A182 HydrophobicContact CG1-CB 3.78Å
104H97Very high96.3Very high66 Ų6651.7 Ų51.731%0.30626%0.262SS..  trans-79.1135.8176.9-17875000111.8I102 H106 L119 E120I102-H104 PolarHBondContact O-N 3.4Å; H104-H106 AromaticContact CD2-CE1 3.61Å; H104-H106 AromaticContact CD2-CG 3.88Å; H104-H106 AromaticContact CD2-ND1 3.62Å; H104-H106 AromaticContact CD2-NE2 3.87Å; H104-H106 AromaticContact NE2-ND1 3.86Å; H104-L119 WeakPolarHBondContact O-CA 3.24Å; H104-E120 HydrophobicContact CB-CB 4.13Å; H104-E120 PolarHBondContact N-OE2 3.04Å; H104-E120 PolarHBondContact O-N 2.76Å
105L97.6Very high96.3Very high17 Ų1751.4 Ų51.49%0.08926%0.261CS..EExtended strand (participates in β ladder)trans-97.2110.8170.6171.467000109.9L94 K95 C107 T108 Y117 L119L94-L105 HydrophobicContact CB-CB 3.82Å; L94-L105 HydrophobicContact CB-CD2 3.58Å; L94-L105 HydrophobicContact CB-CG 4.29Å; L94-L105 HydrophobicContact CD1-CD2 4.49Å; K95-L105 HydrophobicContact CG-CD2 3.99Å; L105-C107 WeakPolarHBondContact CD1-O 3.44Å; L105-T108 HydrophobicContact CD1-CG2 3.83Å; L105-T108 HydrophobicContact CD2-CG2 3.94Å; L105-T108 HydrophobicContact CG-CG2 4.4Å; L105-Y117 HydrophobicContact CD1-CD1 4.08Å; L105-L119 HydrophobicContact CB-CD2 4.1Å; L105-L119 HydrophobicContact CD1-CD2 3.63Å; L105-L119 HydrophobicContact CG-CD2 4.49Å
106H95.2Very high96.4Very high89 Ų8946.9 Ų46.941%0.41224%0.241SC..EExtended strand (participates in β ladder)trans-73-48.3177.9-67.1-81.4000111.8F68 H104 L118F68-H106 AromaticContact CD1-CD2 3.63Å; F68-H106 AromaticContact CD1-NE2 3.6Å; F68-H106 AromaticContact CE1-CD2 3.75Å; F68-H106 AromaticContact CE1-CE1 3.74Å; F68-H106 AromaticContact CE1-NE2 3.51Å; H104-H106 AromaticContact CD2-CE1 3.61Å; H104-H106 AromaticContact CD2-CG 3.88Å; H104-H106 AromaticContact CD2-ND1 3.62Å; H104-H106 AromaticContact CD2-NE2 3.87Å; H104-H106 AromaticContact NE2-ND1 3.86Å; H106-L118 HydrophobicContact CB-CB 4.38Å; H106-L118 HydrophobicContact CB-CD2 4.09Å; H106-L118 HydrophobicContact CB-CG 4.29Å; H106-L118 WeakPolarHBondContact CB-O 3.45Å; H106-L118 PolarHBondContact N-O 3.38Å
107C94.9Very high96.6Very high36 Ų3642.2 Ų42.224%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-164.3165.8177.267.10000111.9L105 L118L105-C107 WeakPolarHBondContact CD1-O 3.44Å; C107-L118 PolarHBondContact O-N 3.09Å
108T95.6Very high96.6Very high27 Ų2742.4 Ų42.417%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-123.1146.616761.70000110.4L105 F116 Y117L105-T108 HydrophobicContact CD1-CG2 3.83Å; L105-T108 HydrophobicContact CD2-CG2 3.94Å; L105-T108 HydrophobicContact CG-CG2 4.4Å; T108-F116 CarbonylContact C-O 3.44Å; T108-F116 VanDerWaalsContact CA-O 3.23Å; T108-F116 WeakPolarHBondContact CA-O 3.39Å; T108-Y117 HydrophobicContact CG2-CD1 3.61Å; T108-Y117 HydrophobicContact CG2-CE1 3.93Å; T108-Y117 HydrophobicContact CG2-CG 4.06Å
109F96.3Very high96.7Very high11 Ų1137.5 Ų37.55%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-148.2173.6171.557.5-87.2000109.8I36 P37 P39 F42 M70 F116I36-F109 HydrophobicContact CG2-CB 4Å; P37-F109 HydrophobicContact CB-CD1 3.96Å; P37-F109 HydrophobicContact CB-CE1 4.06Å; P37-F109 HydrophobicContact CB-CG 4.47Å; P37-F109 WeakPolarHBondContact O-CB 3.45Å; P37-F109 WeakPolarHBondContact O-CD2 3.41Å; P37-F109 VanDerWaalsContact O-CG 3.29Å; P37-F109 WeakPolarHBondContact O-CG 3.31Å; P39-F109 HydrophobicContact CG-CE2 3.94Å; F42-F109 HydrophobicContact CD2-CZ 4.27Å; F42-F109 HydrophobicContact CE2-CE1 4.01Å; F42-F109 AromaticContact CE2-CZ 3.88Å; F42-F109 HydrophobicContact CE2-CZ 3.88Å; M70-F109 HydrophobicContact CE-CE1 4.01Å; M70-F109 HydrophobicContact CE-CZ 3.54Å; M70-F109 HydrophobicContact SD-CZ 4.07Å; F109-F116 HydrophobicContact CD1-CB 4.08Å; F109-F116 HydrophobicContact CD2-CB 3.65Å; F109-F116 AromaticContact CD2-CD2 3.62Å; F109-F116 HydrophobicContact CD2-CD2 3.62Å; F109-F116 AromaticContact CD2-CG 3.79Å; F109-F116 HydrophobicContact CD2-CG 3.79Å; F109-F116 HydrophobicContact CE1-CB 3.83Å; F109-F116 HydrophobicContact CE2-CB 3.36Å; F109-F116 AromaticContact CE2-CD1 3.98Å; F109-F116 HydrophobicContact CE2-CD1 3.98Å; F109-F116 AromaticContact CE2-CD2 3.56Å; F109-F116 HydrophobicContact CE2-CD2 3.56Å; F109-F116 HydrophobicContact CE2-CE2 4.35Å; F109-F116 AromaticContact CE2-CG 3.35Å; F109-F116 HydrophobicContact CE2-CG 3.35Å; F109-F116 HydrophobicContact CG-CB 4Å; F109-F116 HydrophobicContact CZ-CB 3.47Å; F109-F116 VanDerWaalsContact CZ-CB 3.47Å; F109-F116 HydrophobicContact CZ-CD1 4.31Å; F109-F116 HydrophobicContact CZ-CD2 4.49Å; F109-F116 AromaticContact CZ-CG 3.87Å; F109-F116 HydrophobicContact CZ-CG 3.87Å; F109-F116 PolarHBondContact N-O 3.12Å; F109-F116 PolarHBondContact O-N 3.49Å
110Q95.4Very high96.6Very high53 Ų5337.8 Ų37.825%0.24820%0.2CC..EExtended strand (participates in β ladder)trans-150.9154.6-175.860178-38.200112.3C21 S25 K75 R114 L115C21-Q110 PolarHBondContact O-NE2 3.48Å; S25-Q110 PolarHBondContact OG-NE2 3.1Å; K75-Q110 VanDerWaalsContact CE-OE1 3.3Å; Q110-R114 WeakPolarHBondContact CA-O 3.23Å; Q110-R114 WeakPolarHBondContact CB-O 3.49Å; Q110-L115 HydrophobicContact CB-CD2 3.67Å
111D94.6Very high96.5Very high41 Ų4136.4 Ų36.422%0.21919%0.19CC..  trans-112.2-166.4164.269.224.3000109.8K75 T113 R114 F116K75-D111 PolarHBondContact NZ-O 2.99Å; D111-T113 PolarHBondContact O-N 3.2Å; D111-T113 PolarHBondContact OD1-N 3.26Å; D111-T113 PolarHBondContact OD1-OG1 3.5Å; D111-R114 PolarHBondContact N-O 2.82Å; D111-R114 PolarHBondContact OD1-N 2.95Å; D111-R114 IonicContact OD1-NE 3.32Å; D111-R114 IonicContact OD2-CZ 2.59Å; D111-R114 IonicContact OD2-NE 3.2Å; D111-R114 PolarHBondContact OD2-NE 3.32Å; D111-R114 IonicContact OD2-NH2 2.76Å; D111-R114 PolarHBondContact OD2-NH2 2.87Å; D111-F116 HydrophobicContact CB-CE2 4.24Å
112S94.6Very high96.3Very high113 Ų11336.7 Ų36.779%0.7919%0.192SC*.SBendtrans-65.5-23.2-179.754.80000113.9
113T96.1Very high95.8Very high76 Ų7642.6 Ų42.647%0.46621%0.214SC..SBendtrans-122-20.3-17160.60000114.1K75 D111K75-T113 VanDerWaalsContact CB-O 3.3Å; K75-T113 WeakPolarHBondContact CB-O 3.11Å; K75-T113 WeakPolarHBondContact CG-O 3.42Å; K75-T113 PolarHBondContact N-O 3.4Å; D111-T113 PolarHBondContact O-N 3.2Å; D111-T113 PolarHBondContact OD1-N 3.26Å; D111-T113 PolarHBondContact OD1-OG1 3.5Å
114R97.1Very high95.4Very high99 Ų9943.9 Ų43.937%0.37422%0.223SC..EExtended strand (participates in β ladder)trans-133.5154.3-170-65.6170.7-63.9-178.53.7112.7V72 V73 K75 Q110 D111 F116V72-R114 HydrophobicContact CG1-CB 4.25Å; V72-R114 HydrophobicContact CG1-CG 4.19Å; V73-R114 CarbonylContact O-C 3.56Å; V73-R114 WeakPolarHBondContact O-CA 3.15Å; K75-R114 WeakPolarHBondContact CE-O 3.19Å; Q110-R114 WeakPolarHBondContact CA-O 3.23Å; Q110-R114 WeakPolarHBondContact CB-O 3.49Å; D111-R114 PolarHBondContact N-O 2.82Å; D111-R114 PolarHBondContact OD1-N 2.95Å; D111-R114 IonicContact OD1-NE 3.32Å; D111-R114 IonicContact OD2-CZ 2.59Å; D111-R114 IonicContact OD2-NE 3.2Å; D111-R114 PolarHBondContact OD2-NE 3.32Å; D111-R114 IonicContact OD2-NH2 2.76Å; D111-R114 PolarHBondContact OD2-NH2 2.87Å; R114-F116 HydrophobicContact CB-CE1 4.49Å; R114-F116 HydrophobicContact CB-CE2 3.73Å; R114-F116 HydrophobicContact CB-CZ 3.71Å
115L97.1Very high95Very high0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-110.1146.9166.5-48.2164.7000108.5F20 M24 V72 V73 K75 V87 Q110 Y117F20-L115 HydrophobicContact CE1-CD1 4.02Å; F20-L115 HydrophobicContact CZ-CD1 3.59Å; M24-L115 HydrophobicContact CB-CD2 4.37Å; M24-L115 HydrophobicContact CE-CD1 4.33Å; M24-L115 HydrophobicContact CE-CD2 4.14Å; M24-L115 HydrophobicContact CG-CD2 4.07Å; M24-L115 HydrophobicContact SD-CB 4.42Å; M24-L115 HydrophobicContact SD-CD1 3.21Å; M24-L115 WeakPolarHBondContact SD-CD1 3.28Å; M24-L115 HydrophobicContact SD-CD2 3.26Å; M24-L115 WeakPolarHBondContact SD-CD2 3.27Å; M24-L115 HydrophobicContact SD-CG 3.74Å; V72-L115 CarbonylContact C-O 2.9Å; V72-L115 WeakPolarHBondContact CA-O 3.29Å; V73-L115 HydrophobicContact CB-CB 4.07Å; V73-L115 HydrophobicContact CB-CD1 4.4Å; V73-L115 HydrophobicContact CG1-CD1 4.38Å; V73-L115 PolarHBondContact N-O 2.95Å; V73-L115 PolarHBondContact O-N 3.29Å; K75-L115 HydrophobicContact CD-CD2 4.42Å; K75-L115 HydrophobicContact CG-CD2 4.31Å; K75-L115 HydrophobicContact CG-CG 4.06Å; V87-L115 HydrophobicContact CG1-CD1 3.67Å; Q110-L115 HydrophobicContact CB-CD2 3.67Å; L115-Y117 HydrophobicContact CB-CE2 4.11Å
116F97.3Very high94.6Very high1 Ų144.7 Ų44.70%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-128.2127.9-178-57.4-92.8000108.8P39 M70 K71 V72 T108 F109 D111 R114P39-F116 HydrophobicContact CB-CE1 4.28Å; P39-F116 HydrophobicContact CB-CZ 4.3Å; P39-F116 HydrophobicContact CG-CD1 4.43Å; P39-F116 HydrophobicContact CG-CD2 4.33Å; P39-F116 HydrophobicContact CG-CE1 3.84Å; P39-F116 HydrophobicContact CG-CE2 3.75Å; P39-F116 HydrophobicContact CG-CZ 3.47Å; P39-F116 VanDerWaalsContact CG-CZ 3.47Å; M70-F116 HydrophobicContact CG-CD1 4.29Å; M70-F116 HydrophobicContact SD-CB 4.38Å; M70-F116 HydrophobicContact SD-CD1 3.65Å; M70-F116 HydrophobicContact SD-CE1 4.46Å; M70-F116 HydrophobicContact SD-CG 4.43Å; K71-F116 WeakPolarHBondContact O-CA 3.29Å; V72-F116 HydrophobicContact CB-CD1 4.46Å; V72-F116 HydrophobicContact CB-CE1 4.47Å; V72-F116 HydrophobicContact CG1-CD1 4.16Å; V72-F116 HydrophobicContact CG1-CE1 3.77Å; V72-F116 HydrophobicContact CG1-CZ 4.41Å; V72-F116 HydrophobicContact CG2-CD1 3.9Å; V72-F116 HydrophobicContact CG2-CE1 4.02Å; T108-F116 CarbonylContact C-O 3.44Å; T108-F116 VanDerWaalsContact CA-O 3.23Å; T108-F116 WeakPolarHBondContact CA-O 3.39Å; F109-F116 HydrophobicContact CD1-CB 4.08Å; F109-F116 HydrophobicContact CD2-CB 3.65Å; F109-F116 AromaticContact CD2-CD2 3.62Å; F109-F116 HydrophobicContact CD2-CD2 3.62Å; F109-F116 AromaticContact CD2-CG 3.79Å; F109-F116 HydrophobicContact CD2-CG 3.79Å; F109-F116 HydrophobicContact CE1-CB 3.83Å; F109-F116 HydrophobicContact CE2-CB 3.36Å; F109-F116 AromaticContact CE2-CD1 3.98Å; F109-F116 HydrophobicContact CE2-CD1 3.98Å; F109-F116 AromaticContact CE2-CD2 3.56Å; F109-F116 HydrophobicContact CE2-CD2 3.56Å; F109-F116 HydrophobicContact CE2-CE2 4.35Å; F109-F116 AromaticContact CE2-CG 3.35Å; F109-F116 HydrophobicContact CE2-CG 3.35Å; F109-F116 HydrophobicContact CG-CB 4Å; F109-F116 HydrophobicContact CZ-CB 3.47Å; F109-F116 VanDerWaalsContact CZ-CB 3.47Å; F109-F116 HydrophobicContact CZ-CD1 4.31Å; F109-F116 HydrophobicContact CZ-CD2 4.49Å; F109-F116 AromaticContact CZ-CG 3.87Å; F109-F116 HydrophobicContact CZ-CG 3.87Å; F109-F116 PolarHBondContact N-O 3.12Å; F109-F116 PolarHBondContact O-N 3.49Å; D111-F116 HydrophobicContact CB-CE2 4.24Å; R114-F116 HydrophobicContact CB-CE1 4.49Å; R114-F116 HydrophobicContact CB-CE2 3.73Å; R114-F116 HydrophobicContact CB-CZ 3.71Å
117Y97.8Very high94.5Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-114.1118.5172.3-60.8-116.7000106.8M70 K71 V73 V87 K91 L94 L105 T108 L115M70-Y117 WeakPolarHBondContact CA-O 3.42Å; K71-Y117 PolarHBondContact N-O 2.86Å; K71-Y117 PolarHBondContact O-N 3.34Å; V73-Y117 HydrophobicContact CG2-CD2 3.99Å; V73-Y117 HydrophobicContact CG2-CE2 3.75Å; V87-Y117 VanDerWaalsContact CG1-OH 3.29Å; V87-Y117 WeakPolarHBondContact CG1-OH 3.48Å; V87-Y117 PolarHBondContact O-OH 3.49Å; K91-Y117 HydrophobicContact CB-CE1 3.86Å; K91-Y117 HydrophobicContact CG-CE1 4.46Å; L94-Y117 HydrophobicContact CD1-CD1 4.28Å; L105-Y117 HydrophobicContact CD1-CD1 4.08Å; T108-Y117 HydrophobicContact CG2-CD1 3.61Å; T108-Y117 HydrophobicContact CG2-CE1 3.93Å; T108-Y117 HydrophobicContact CG2-CG 4.06Å; L115-Y117 HydrophobicContact CB-CE2 4.11Å
118L97.6Very high94.2Very high10 Ų1040.5 Ų40.55%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-89.7108.1172.6-168.972.2000107.8F42 V59 F68 M70 H106 C107F42-L118 HydrophobicContact CD1-CD1 4.11Å; F42-L118 HydrophobicContact CE1-CD1 3.53Å; F42-L118 HydrophobicContact CE1-CD2 3.82Å; F42-L118 HydrophobicContact CE1-CG 4.34Å; F42-L118 HydrophobicContact CZ-CD1 3.96Å; F42-L118 HydrophobicContact CZ-CD2 3.82Å; V59-L118 HydrophobicContact CG2-CD1 3.94Å; F68-L118 HydrophobicContact CB-CD1 3.6Å; F68-L118 HydrophobicContact CB-CG 4.14Å; F68-L118 HydrophobicContact CD1-CG 4.35Å; F68-L118 HydrophobicContact CD2-CD1 4.11Å; F68-L118 HydrophobicContact CD2-CD2 4.4Å; F68-L118 HydrophobicContact CD2-CG 4.49Å; F68-L118 HydrophobicContact CG-CD1 3.88Å; F68-L118 HydrophobicContact CG-CD2 4.38Å; F68-L118 HydrophobicContact CG-CG 4.09Å; M70-L118 HydrophobicContact CE-CD1 3.81Å; H106-L118 HydrophobicContact CB-CB 4.38Å; H106-L118 HydrophobicContact CB-CD2 4.09Å; H106-L118 HydrophobicContact CB-CG 4.29Å; H106-L118 WeakPolarHBondContact CB-O 3.45Å; H106-L118 PolarHBondContact N-O 3.38Å; C107-L118 PolarHBondContact O-N 3.09Å
119L97.8Very high93.5Very high19 Ų1942.6 Ų42.610%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-113.1154.8-171.6-58.3173.4000110.4A69 K71 L94 I103 H104 L105A69-L119 HydrophobicContact CB-CB 4.34Å; A69-L119 PolarHBondContact N-O 3.11Å; A69-L119 WeakPolarHBondContact O-CA 3.32Å; A69-L119 PolarHBondContact O-N 3.07Å; K71-L119 HydrophobicContact CB-CD1 4.03Å; L94-L119 HydrophobicContact CD1-CD2 4.04Å; I103-L119 HydrophobicContact CG2-CB 4.01Å; I103-L119 HydrophobicContact CG2-CD2 4.17Å; I103-L119 HydrophobicContact CG2-CG 4.46Å; H104-L119 WeakPolarHBondContact O-CA 3.24Å; L105-L119 HydrophobicContact CB-CD2 4.1Å; L105-L119 HydrophobicContact CD1-CD2 3.63Å; L105-L119 HydrophobicContact CG-CD2 4.49Å
120E95.7Very high92.9Very high48 Ų4844.8 Ų44.822%0.22424%0.237CC..  trans-53138.1164.4179.9177.9-169.800110.7I103 H104 K180I103-E120 HydrophobicContact CD1-CB 4.45Å; I103-E120 HydrophobicContact CG2-CB 4.49Å; H104-E120 HydrophobicContact CB-CB 4.13Å; H104-E120 PolarHBondContact N-OE2 3.04Å; H104-E120 PolarHBondContact O-N 2.76Å; E120-K180 VanDerWaalsContact CD-CE 3.46Å; E120-K180 WeakPolarHBondContact OE1-CE 3.49Å; E120-K180 IonicContact OE1-NZ 3.92Å; E120-K180 PolarHBondContact OE1-NZ 2.83Å; E120-K180 WeakPolarHBondContact OE2-CE 3.15Å; E120-K180 IonicContact OE2-NZ 3.3Å; E120-K180 PolarHBondContact OE2-NZ 3.41Å
121Y94.8Very high92.4Very high49 Ų4942.5 Ų42.519%0.19223%0.226CC..  trans-96.4104.1177.9178.9-141.9000112I48 I58 A69 R123I48-Y121 HydrophobicContact CD1-CD2 4.07Å; I48-Y121 HydrophobicContact CD1-CE2 3.86Å; I58-Y121 HydrophobicContact CD1-CE1 4.12Å; I58-Y121 HydrophobicContact CD1-CE2 4.26Å; I58-Y121 VanDerWaalsContact CD1-OH 3.32Å; I58-Y121 WeakPolarHBondContact CD1-OH 3.15Å; I58-Y121 HydrophobicContact CG1-CE1 4.22Å; I58-Y121 HydrophobicContact CG1-CE2 3.98Å; I58-Y121 HydrophobicContact CG2-CE1 4.33Å; A69-Y121 HydrophobicContact CB-CD2 4.32Å; Y121-R123 HydrophobicContact CE1-CB 4.18Å; Y121-R123 HydrophobicContact CE1-CG 4.03Å; Y121-R123 PolarHBondContact O-N 3.32Å; Y121-R123 VanDerWaalsContact O-N 3.16Å
122A92.9Very high91.5Very high7 Ų745 Ų456%0.05824%0.243CC..  trans-76.994169.700000110.7I103 C124 G125 L172 L173I103-A122 HydrophobicContact CD1-CB 4.09Å; A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 2.82Å; A122-G125 PolarHBondContact O-N 3Å; A122-L172 HydrophobicContact CB-CB 3.54Å; A122-L172 HydrophobicContact CB-CD1 4.13Å; A122-L172 HydrophobicContact CB-CG 4.48Å; A122-L173 CarbonylContact C-O 3.5Å; A122-L173 WeakPolarHBondContact CB-O 3.43Å
123R88.6Confident90.5Very high125 Ų12543.8 Ų43.847%0.47222%0.222SC..THydrogen-bonded Turntrans-60-30.9-167.9-167.5179.2-61.9-84.10114.8E67 Y121 G125 L173 D175E67-R123 IonicContact OE2-CZ 2.73Å; E67-R123 VanDerWaalsContact OE2-CZ 3.3Å; E67-R123 IonicContact OE2-NH1 3.15Å; E67-R123 PolarHBondContact OE2-NH1 3.14Å; E67-R123 IonicContact OE2-NH2 2.86Å; E67-R123 PolarHBondContact OE2-NH2 2.96Å; Y121-R123 HydrophobicContact CE1-CB 4.18Å; Y121-R123 HydrophobicContact CE1-CG 4.03Å; Y121-R123 PolarHBondContact O-N 3.32Å; Y121-R123 VanDerWaalsContact O-N 3.16Å; R123-G125 VanDerWaalsContact C-N 3.33Å; R123-L173 PolarHBondContact N-O 3.45Å; R123-D175 HydrophobicContact CB-CB 4.28Å
124C88.7Confident89.4Confident34 Ų3441.3 Ų41.323%0.2321%0.205CC..THydrogen-bonded Turntrans-87.30.4-173.9-72.10000113.5A122 Y130 L173 T174 M177A122-C124 VanDerWaalsContact C-N 3.28Å; A122-C124 PolarHBondContact O-N 2.82Å; C124-Y130 WeakPolarHBondContact CB-OH 3.25Å; C124-Y130 WeakPolarHBondContact O-CE2 3.44Å; C124-Y130 PolarHBondContact O-OH 2.9Å; C124-L173 WeakPolarHBondContact CA-O 3.18Å; C124-L173 HydrophobicContact CB-CB 3.65Å; C124-L173 WeakPolarHBondContact CB-O 3.27Å; C124-L173 PolarHBondContact N-O 3.21Å; C124-T174 WeakPolarHBondContact CB-O 3.35Å; C124-T174 PolarHBondContact SG-O 3.27Å; C124-M177 HydrophobicContact CB-SD 4.05Å
125G89.6Confident88.1Confident30 Ų3037.2 Ų37.231%0.30919%0.191SC..EExtended strand (participates in β ladder)trans74.5-156.5173.700000113.5A122 R123 L172 L173A122-G125 PolarHBondContact O-N 3Å; R123-G125 VanDerWaalsContact C-N 3.33Å; G125-L172 CarbonylContact O-C 3.5Å; G125-L172 VanDerWaalsContact O-CA 3.3Å; G125-L172 WeakPolarHBondContact O-CA 3.44Å; G125-L173 PolarHBondContact O-N 2.89Å
126E89.9Confident87.4Confident70 Ų7037.2 Ų37.233%0.32719%0.191SC..EExtended strand (participates in β ladder)trans-85.2140.7-170.1-56.1168.2-168.400112.9L128 S129 Y130 E169 L172E126-L128 PolarHBondContact O-N 3.04Å; E126-S129 WeakPolarHBondContact O-CB 3.25Å; E126-S129 PolarHBondContact O-N 3.37Å; E126-Y130 VanDerWaalsContact O-CD2 3.29Å; E126-Y130 WeakPolarHBondContact O-CD2 3.37Å; E126-E169 WeakPolarHBondContact CG-O 3.43Å; E126-L172 HydrophobicContact CB-CD2 4.34Å; E126-L172 HydrophobicContact CG-CD2 3.69Å
127L93Very high86.8Confident0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-58.2-33.3172.7-177.462.2000111.8S129 Y130 L131 L137 P168 V171 L173 L247L127-S129 PolarHBondContact O-N 3.12Å; L127-Y130 PolarHBondContact O-N 3.25Å; L127-L131 PolarHBondContact O-N 3.25Å; L127-L137 HydrophobicContact CD1-CD1 4.17Å; L127-P168 PolarHBondContact N-O 3.34Å; L127-V171 HydrophobicContact CB-CB 3.97Å; L127-V171 HydrophobicContact CB-CG1 4.07Å; L127-V171 WeakPolarHBondContact CB-O 3.43Å; L127-V171 HydrophobicContact CD2-CB 4.17Å; L127-V171 HydrophobicContact CD2-CG1 3.89Å; L127-V171 PolarHBondContact N-O 3.2Å; L127-L173 HydrophobicContact CD1-CD1 4.37Å; L127-L247 HydrophobicContact CD2-CD1 4.35Å; L127-L247 HydrophobicContact CD2-CD2 4.02Å; L127-L247 HydrophobicContact CG-CD2 4.25Å
128L88.6Confident86.3Confident38 Ų3838 Ų3820%0.19920%0.196CC..Hα-helixtrans-55.8-39.2173.8-175.372.7000112E126 Y130 L131 T132 P168 E169E126-L128 PolarHBondContact O-N 3.04Å; L128-Y130 VanDerWaalsContact C-N 3.3Å; L128-Y130 PolarHBondContact O-N 3.22Å; L128-L131 HydrophobicContact CD1-CD2 4.33Å; L128-L131 PolarHBondContact O-N 3.36Å; L128-T132 VanDerWaalsContact O-CB 3.31Å; L128-T132 WeakPolarHBondContact O-CB 3.41Å; L128-T132 PolarHBondContact O-N 3.22Å; L128-T132 PolarHBondContact O-OG1 2.9Å; L128-P168 HydrophobicContact CB-CB 3.98Å; L128-P168 HydrophobicContact CD1-CB 4.22Å; L128-P168 PolarHBondContact N-O 2.91Å; L128-E169 HydrophobicContact CB-CG 3.97Å; L128-E169 HydrophobicContact CD2-CG 3.42Å; L128-E169 VanDerWaalsContact CD2-CG 3.42Å; L128-E169 HydrophobicContact CG-CG 4.15Å
129S80.5Confident86.1Confident70 Ų7038.6 Ų38.649%0.4920%0.2SC..Hα-helixtrans-62.3-40.9-179.1-70.50000111.2E126 L127 Y133E126-S129 WeakPolarHBondContact O-CB 3.25Å; E126-S129 PolarHBondContact O-N 3.37Å; L127-S129 PolarHBondContact O-N 3.12Å; S129-Y133 VanDerWaalsContact O-CB 3.27Å; S129-Y133 WeakPolarHBondContact O-CB 3.25Å; S129-Y133 PolarHBondContact O-N 3.41Å
130Y83.9Confident85.9Confident58 Ų5842.7 Ų42.723%0.22722%0.219CC..Hα-helixtrans-69.4-45.6175-64.5-90.4000111.7C124 E126 L127 L128 T132 Y133 F134 L173 M177 L333C124-Y130 WeakPolarHBondContact CB-OH 3.25Å; C124-Y130 WeakPolarHBondContact O-CE2 3.44Å; C124-Y130 PolarHBondContact O-OH 2.9Å; E126-Y130 VanDerWaalsContact O-CD2 3.29Å; E126-Y130 WeakPolarHBondContact O-CD2 3.37Å; L127-Y130 PolarHBondContact O-N 3.25Å; L128-Y130 VanDerWaalsContact C-N 3.3Å; L128-Y130 PolarHBondContact O-N 3.22Å; Y130-T132 VanDerWaalsContact C-N 3.28Å; Y130-T132 PolarHBondContact O-N 3.09Å; Y130-Y133 WeakPolarHBondContact O-CB 3.2Å; Y130-Y133 PolarHBondContact O-N 3Å; Y130-Y133 VanDerWaalsContact O-N 3.14Å; Y130-F134 HydrophobicContact CD1-CE2 4.14Å; Y130-F134 WeakPolarHBondContact O-CD2 3.34Å; Y130-F134 PolarHBondContact O-N 2.82Å; Y130-L173 HydrophobicContact CD2-CD1 3.64Å; Y130-L173 HydrophobicContact CE2-CD1 3.56Å; Y130-L173 HydrophobicContact CE2-CG 4.49Å; Y130-L173 HydrophobicContact CG-CD1 4.33Å; Y130-M177 HydrophobicContact CE1-CE 4.19Å; Y130-L333 HydrophobicContact CD1-CD1 3.35Å; Y130-L333 HydrophobicContact CE1-CD1 4.02Å; Y130-L333 HydrophobicContact CG-CD1 3.65Å
131L83.4Confident85.8Confident4 Ų440.4 Ų40.42%0.02121%0.208CC..Hα-helixtrans-57.5-43.4175.3175.664000111.3L127 L128 Y133 T135 L137 P168 Q246 L247L127-L131 PolarHBondContact O-N 3.25Å; L128-L131 HydrophobicContact CD1-CD2 4.33Å; L128-L131 PolarHBondContact O-N 3.36Å; L131-Y133 VanDerWaalsContact C-N 3.31Å; L131-Y133 PolarHBondContact O-N 3.4Å; L131-T135 WeakPolarHBondContact CD1-O 3.04Å; L131-T135 CarbonylContact O-C 3.53Å; L131-T135 WeakPolarHBondContact O-CA 3.15Å; L131-T135 PolarHBondContact O-N 2.95Å; L131-L137 HydrophobicContact CD1-CG 4.47Å; L131-P168 HydrophobicContact CD2-CG 4.49Å; L131-Q246 HydrophobicContact CD2-CG 3.54Å; L131-L247 HydrophobicContact CB-CD2 4.46Å; L131-L247 HydrophobicContact CD1-CD2 4.23Å; L131-L247 HydrophobicContact CD2-CD2 4.2Å
132T76.4Confident85.9Confident94 Ų9438 Ų3858%0.57720%0.199SC*.Hα-helixtrans-63.5-40.4177.6-60.40000111.2L128 Y130L128-T132 VanDerWaalsContact O-CB 3.31Å; L128-T132 WeakPolarHBondContact O-CB 3.41Å; L128-T132 PolarHBondContact O-N 3.22Å; L128-T132 PolarHBondContact O-OG1 2.9Å; Y130-T132 VanDerWaalsContact C-N 3.28Å; Y130-T132 PolarHBondContact O-N 3.09Å
133Y73.3Confident86.1Confident87 Ų8739 Ų3934%0.34120%0.201SC..Hα-helixtrans-68.4-52.3179.5174.1-95.1000112.7S129 Y130 L131 T135 K462 T463S129-Y133 VanDerWaalsContact O-CB 3.27Å; S129-Y133 WeakPolarHBondContact O-CB 3.25Å; S129-Y133 PolarHBondContact O-N 3.41Å; Y130-Y133 WeakPolarHBondContact O-CB 3.2Å; Y130-Y133 PolarHBondContact O-N 3Å; Y130-Y133 VanDerWaalsContact O-N 3.14Å; L131-Y133 VanDerWaalsContact C-N 3.31Å; L131-Y133 PolarHBondContact O-N 3.4Å; Y133-T135 PolarHBondContact O-N 2.98Å; Y133-K462 VanDerWaalsContact OH-C 3.29Å; Y133-K462 WeakPolarHBondContact OH-CA 3.18Å; Y133-T463 WeakPolarHBondContact OH-CA 3.48Å; Y133-T463 VanDerWaalsContact OH-CB 3.27Å; Y133-T463 WeakPolarHBondContact OH-CB 3.37Å; Y133-T463 PolarHBondContact OH-N 3.15Å; Y133-T463 PolarHBondContact OH-OG1 3.39Å; Y133-T463 VanDerWaalsContact OH-OG1 3.14Å
134F72.8Confident86.5Confident25 Ų2533.6 Ų33.611%0.1118%0.181CC..Hα-helixtrans-78.1-11.9178.3-69.2-70.8000113.1Y130 S136 L137 L333 P335 Y465Y130-F134 HydrophobicContact CD1-CE2 4.14Å; Y130-F134 WeakPolarHBondContact O-CD2 3.34Å; Y130-F134 PolarHBondContact O-N 2.82Å; F134-S136 VanDerWaalsContact CB-O 3.24Å; F134-S136 WeakPolarHBondContact CB-O 3.28Å; F134-S136 PolarHBondContact O-N 2.58Å; F134-L137 HydrophobicContact CB-CD2 4.02Å; F134-L137 HydrophobicContact CD2-CD2 3.89Å; F134-L137 HydrophobicContact CG-CD2 4.21Å; F134-L333 HydrophobicContact CD2-CB 4.12Å; F134-L333 VanDerWaalsContact CE1-O 3.3Å; F134-L333 WeakPolarHBondContact CE1-O 3.43Å; F134-L333 HydrophobicContact CE2-CB 3.44Å; F134-L333 VanDerWaalsContact CE2-CB 3.44Å; F134-L333 HydrophobicContact CE2-CD1 4.12Å; F134-L333 HydrophobicContact CE2-CG 4.41Å; F134-L333 HydrophobicContact CZ-CB 3.78Å; F134-L333 WeakPolarHBondContact CZ-O 3.49Å; F134-P335 HydrophobicContact CB-CB 4.48Å; F134-Y465 WeakPolarHBondContact CD1-OH 3.16Å; F134-Y465 WeakPolarHBondContact CE1-OH 3.3Å
135T70.7Confident87Confident12 Ų1232 Ų327%0.07417%0.17CC..SBendtrans69.9-49.3-170.4-51.40000114.2L131 Y133 G250 G409 L410L131-T135 WeakPolarHBondContact CD1-O 3.04Å; L131-T135 CarbonylContact O-C 3.53Å; L131-T135 WeakPolarHBondContact O-CA 3.15Å; L131-T135 PolarHBondContact O-N 2.95Å; Y133-T135 PolarHBondContact O-N 2.98Å; T135-G250 WeakPolarHBondContact O-CA 3.26Å; T135-G409 WeakPolarHBondContact CG2-O 3.18Å; T135-G409 WeakPolarHBondContact OG1-CA 3.39Å; T135-G409 PolarHBondContact OG1-O 2.76Å; T135-L410 HydrophobicContact CG2-CB 4.13Å; T135-L410 HydrophobicContact CG2-CD2 3.34Å; T135-L410 HydrophobicContact CG2-CG 3.55Å
136S81.2Confident87.4Confident0 Ų030.6 Ų30.60%016%0.155CC..SBendtrans-138.1165.8174.854.20000107.3F134 L247 I248 P335 N336F134-S136 VanDerWaalsContact CB-O 3.24Å; F134-S136 WeakPolarHBondContact CB-O 3.28Å; F134-S136 PolarHBondContact O-N 2.58Å; S136-L247 CarbonylContact C-O 3.48Å; S136-L247 WeakPolarHBondContact CA-O 3.21Å; S136-I248 WeakPolarHBondContact CB-O 3.33Å; S136-P335 VanDerWaalsContact O-CA 3.27Å; S136-P335 WeakPolarHBondContact O-CA 3.15Å; S136-N336 PolarHBondContact OG-N 3.33Å
137L85.3Confident87.9Confident0 Ų027.2 Ų27.20%014%0.14CC..  trans-119140.2173.4-60.4-173.6000108.8L127 L131 F134 C141 T142 L247 L333 V334 N336L127-L137 HydrophobicContact CD1-CD1 4.17Å; L131-L137 HydrophobicContact CD1-CG 4.47Å; F134-L137 HydrophobicContact CB-CD2 4.02Å; F134-L137 HydrophobicContact CD2-CD2 3.89Å; F134-L137 HydrophobicContact CG-CD2 4.21Å; L137-C141 HydrophobicContact CB-CB 4.11Å; L137-T142 PolarHBondContact O-OG1 2.89Å; L137-L247 HydrophobicContact CD1-CD2 3.85Å; L137-L247 HydrophobicContact CG-CD2 4.45Å; L137-L247 PolarHBondContact N-O 2.74Å; L137-L333 HydrophobicContact CD1-CD2 3.91Å; L137-L333 HydrophobicContact CD2-CD2 3.99Å; L137-V334 CarbonylContact C-O 3.45Å; L137-V334 WeakPolarHBondContact CA-O 3.32Å; L137-N336 VanDerWaalsContact O-CB 3.3Å; L137-N336 WeakPolarHBondContact O-CB 3.44Å
138S87.2Confident88.1Confident17 Ų1727.2 Ų27.212%0.11914%0.14CC..  trans-50.9154.6176.870.60000112.2H140 C141 T142 V334 N336S138-H140 PolarHBondContact O-N 3.33Å; S138-C141 PolarHBondContact O-N 3.03Å; S138-C141 VanDerWaalsContact O-N 3.16Å; S138-C141 PolarHBondContact OG-N 2.94Å; S138-C141 VanDerWaalsContact OG-N 3.13Å; S138-C141 PolarHBondContact OG-SG 3.38Å; S138-T142 WeakPolarHBondContact O-CB 3.39Å; S138-T142 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-OG1 2.9Å; S138-V334 PolarHBondContact N-O 2.9Å; S138-V334 WeakPolarHBondContact OG-CG2 3.47Å; S138-N336 WeakPolarHBondContact CA-OD1 3.16Å
139V93.8Very high88.6Confident23 Ų2325.4 Ų25.414%0.13913%0.13CC..Hα-helixtrans-52.8-39.9174.3-168.80000111T142 R143 D281 F316 N336V139-T142 PolarHBondContact O-N 3.31Å; V139-R143 VanDerWaalsContact O-CB 3.29Å; V139-R143 WeakPolarHBondContact O-CB 3.35Å; V139-R143 PolarHBondContact O-N 2.88Å; V139-D281 HydrophobicContact CG1-CB 4.06Å; V139-D281 HydrophobicContact CG2-CB 3.62Å; V139-F316 HydrophobicContact CG1-CE2 3.83Å; V139-N336 WeakPolarHBondContact CG2-OD1 3.33Å; V139-N336 PolarHBondContact N-OD1 3.06Å
140H93.6Very high89.5Confident105 Ų10522.1 Ų22.149%0.48611%0.107SC..Hα-helixtrans-63.8-48.5178.4-179.364.3000112.6S138 R143 F144S138-H140 PolarHBondContact O-N 3.33Å; H140-R143 PolarHBondContact O-N 3.2Å; H140-F144 PolarHBondContact O-N 3.29Å
141C92.5Very high90.2Very high0 Ų020.6 Ų20.60%010%0.104CC..Hα-helixtrans-59.7-49.8173.6-63.30000110.5L137 S138 R143 F144 Y145 L332 L333L137-C141 HydrophobicContact CB-CB 4.11Å; S138-C141 PolarHBondContact O-N 3.03Å; S138-C141 VanDerWaalsContact O-N 3.16Å; S138-C141 PolarHBondContact OG-N 2.94Å; S138-C141 VanDerWaalsContact OG-N 3.13Å; S138-C141 PolarHBondContact OG-SG 3.38Å; C141-R143 VanDerWaalsContact C-N 3.27Å; C141-R143 PolarHBondContact O-N 2.85Å; C141-F144 PolarHBondContact O-N 3.18Å; C141-F144 VanDerWaalsContact O-N 3.14Å; C141-Y145 HydrophobicContact CB-CD2 4.46Å; C141-Y145 HydrophobicContact CB-CE2 4.46Å; C141-Y145 WeakPolarHBondContact O-CD2 3.18Å; C141-Y145 PolarHBondContact O-N 3.01Å; C141-Y145 VanDerWaalsContact O-N 3.07Å; C141-L332 PolarHBondContact SG-O 3.33Å; C141-L333 HydrophobicContact CB-CD2 4.39Å
142T96.9Very high90.9Very high0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-56.2-43.7-179-59.50000111.3L137 S138 V139 F144 Y145 A146 I244 L247 I248 F316L137-T142 PolarHBondContact O-OG1 2.89Å; S138-T142 WeakPolarHBondContact O-CB 3.39Å; S138-T142 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-OG1 2.9Å; V139-T142 PolarHBondContact O-N 3.31Å; T142-F144 PolarHBondContact O-N 3.39Å; T142-Y145 PolarHBondContact O-N 3.06Å; T142-A146 WeakPolarHBondContact O-CB 3.31Å; T142-A146 PolarHBondContact O-N 3.47Å; T142-I244 HydrophobicContact CG2-CG2 4.17Å; T142-L247 HydrophobicContact CG2-CB 3.77Å; T142-L247 HydrophobicContact CG2-CD1 3.97Å; T142-L247 WeakPolarHBondContact OG1-CB 3.46Å; T142-I248 HydrophobicContact CG2-CD1 4.07Å; T142-I248 HydrophobicContact CG2-CG1 3.83Å; T142-F316 HydrophobicContact CG2-CZ 4.18Å
143R98.1Very high91.9Very high27 Ų2716 Ų1610%0.1028%0.076CC..Hα-helixtrans-58.1-46.7177.8-174.4-174.4-63.6114.814.5112.3V139 H140 C141 A147 F316 F317 E319 I320V139-R143 VanDerWaalsContact O-CB 3.29Å; V139-R143 WeakPolarHBondContact O-CB 3.35Å; V139-R143 PolarHBondContact O-N 2.88Å; H140-R143 PolarHBondContact O-N 3.2Å; C141-R143 VanDerWaalsContact C-N 3.27Å; C141-R143 PolarHBondContact O-N 2.85Å; R143-A147 WeakPolarHBondContact O-CB 3.33Å; R143-A147 PolarHBondContact O-N 3.18Å; R143-F316 HydrophobicContact CB-CE1 4.02Å; R143-F316 HydrophobicContact CB-CE2 4.43Å; R143-F316 HydrophobicContact CB-CZ 3.83Å; R143-F316 WeakPolarHBondContact CD-O 3.25Å; R143-F316 HydrophobicContact CG-CD1 4.45Å; R143-F316 HydrophobicContact CG-CE1 4.18Å; R143-F316 HydrophobicContact CG-CZ 4.37Å; R143-F316 VanDerWaalsContact CG-O 3.29Å; R143-F316 WeakPolarHBondContact CG-O 3.29Å; R143-F316 PolarHBondContact NE-O 3.42Å; R143-F317 HydrophobicContact CG-CD1 4.41Å; R143-E319 IonicContact CZ-OE2 2.86Å; R143-E319 IonicContact NE-OE2 3.45Å; R143-E319 IonicContact NH1-OE2 3.89Å; R143-E319 PolarHBondContact NH1-OE2 2.8Å; R143-I320 HydrophobicContact CG-CD1 3.92Å; R143-I320 HydrophobicContact CG-CG1 3.99Å
144F98Very high93.1Very high12 Ų1213.7 Ų13.75%0.0537%0.069CC..Hα-helixtrans-61.8-55.4178.8-175.8-86.5000111.6H140 C141 T142 A146 A147 E148 L325 Q328 P330 P331H140-F144 PolarHBondContact O-N 3.29Å; C141-F144 PolarHBondContact O-N 3.18Å; C141-F144 VanDerWaalsContact O-N 3.14Å; T142-F144 PolarHBondContact O-N 3.39Å; F144-A146 VanDerWaalsContact C-N 3.32Å; F144-A146 PolarHBondContact O-N 3.14Å; F144-A147 WeakPolarHBondContact O-CB 3.42Å; F144-A147 PolarHBondContact O-N 2.77Å; F144-A147 VanDerWaalsContact O-N 3.09Å; F144-E148 HydrophobicContact CD1-CG 4.48Å; F144-E148 HydrophobicContact CE1-CG 4.1Å; F144-E148 WeakPolarHBondContact CE1-OE1 3.48Å; F144-E148 WeakPolarHBondContact CZ-OE1 3.27Å; F144-E148 PolarHBondContact O-N 2.97Å; F144-L325 HydrophobicContact CD2-CD1 4.13Å; F144-L325 HydrophobicContact CE2-CD1 3.77Å; F144-L325 HydrophobicContact CZ-CD1 4.17Å; F144-Q328 HydrophobicContact CE2-CB 4.1Å; F144-P330 HydrophobicContact CD1-CB 4.19Å; F144-P330 HydrophobicContact CE1-CB 3.53Å; F144-P330 HydrophobicContact CE1-CG 3.72Å; F144-P330 HydrophobicContact CZ-CB 3.86Å; F144-P330 HydrophobicContact CZ-CG 3.77Å; F144-P331 HydrophobicContact CB-CG 3.76Å; F144-P331 HydrophobicContact CD1-CG 4.38Å; F144-P331 HydrophobicContact CG-CG 3.97Å
145Y98.4Very high94.2Very high0 Ų014.9 Ų14.90%07%0.073CC..Hα-helixtrans-65.1-35.4-178.6-70.1-72.8000112.5C141 T142 A147 E148 I149 L173 M177 I179 L333C141-Y145 HydrophobicContact CB-CD2 4.46Å; C141-Y145 HydrophobicContact CB-CE2 4.46Å; C141-Y145 WeakPolarHBondContact O-CD2 3.18Å; C141-Y145 PolarHBondContact O-N 3.01Å; C141-Y145 VanDerWaalsContact O-N 3.07Å; T142-Y145 PolarHBondContact O-N 3.06Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.07Å; Y145-E148 PolarHBondContact O-N 2.76Å; Y145-I149 WeakPolarHBondContact O-CD1 3.04Å; Y145-I149 VanDerWaalsContact O-CG1 3.25Å; Y145-I149 WeakPolarHBondContact O-CG1 3.32Å; Y145-I149 PolarHBondContact O-N 3.21Å; Y145-L173 HydrophobicContact CD1-CD2 4.25Å; Y145-L173 HydrophobicContact CE1-CD2 3.67Å; Y145-M177 WeakPolarHBondContact CE1-O 3.31Å; Y145-M177 PolarHBondContact OH-O 2.92Å; Y145-I179 HydrophobicContact CD1-CG2 3.54Å; Y145-I179 HydrophobicContact CE1-CG2 4.13Å; Y145-L333 HydrophobicContact CD2-CD2 4.16Å; Y145-L333 HydrophobicContact CE2-CD2 3.3Å; Y145-L333 HydrophobicContact CE2-CG 4.34Å
146A98.6Very high95.5Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-64.4-37.2173.800000112T142 F144 I149 L150 F240 I244 F316 F317T142-A146 WeakPolarHBondContact O-CB 3.31Å; T142-A146 PolarHBondContact O-N 3.47Å; F144-A146 VanDerWaalsContact C-N 3.32Å; F144-A146 PolarHBondContact O-N 3.14Å; A146-I149 PolarHBondContact O-N 3.13Å; A146-L150 WeakPolarHBondContact O-CB 3.3Å; A146-L150 PolarHBondContact O-N 2.92Å; A146-F240 HydrophobicContact CB-CE2 3.92Å; A146-F240 HydrophobicContact CB-CZ 3.92Å; A146-F240 VanDerWaalsContact O-CE2 3.25Å; A146-F240 WeakPolarHBondContact O-CE2 3.45Å; A146-F240 VanDerWaalsContact O-CZ 3.29Å; A146-F240 WeakPolarHBondContact O-CZ 3.4Å; A146-I244 HydrophobicContact CB-CD1 4.13Å; A146-I244 HydrophobicContact CB-CG1 3.92Å; A146-F316 HydrophobicContact CB-CE1 4.26Å; A146-F317 HydrophobicContact CB-CE1 3.93Å; A146-F317 HydrophobicContact CB-CZ 4.22Å
147A98.6Very high96.2Very high0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-65.6-40.4176.300000112.3R143 F144 Y145 L150 T151 F317 I320 W322 L325R143-A147 WeakPolarHBondContact O-CB 3.33Å; R143-A147 PolarHBondContact O-N 3.18Å; F144-A147 WeakPolarHBondContact O-CB 3.42Å; F144-A147 PolarHBondContact O-N 2.77Å; F144-A147 VanDerWaalsContact O-N 3.09Å; Y145-A147 VanDerWaalsContact C-N 3.33Å; Y145-A147 PolarHBondContact O-N 3.07Å; A147-L150 PolarHBondContact O-N 3.36Å; A147-T151 PolarHBondContact O-N 2.66Å; A147-T151 PolarHBondContact O-OG1 3.46Å; A147-F317 HydrophobicContact CB-CD1 4.12Å; A147-F317 HydrophobicContact CB-CE1 4.19Å; A147-I320 HydrophobicContact CB-CD1 4.03Å; A147-I320 HydrophobicContact CB-CG1 3.94Å; A147-I320 HydrophobicContact CB-CG2 3.93Å; A147-W322 HydrophobicContact CB-CH2 3.71Å; A147-W322 HydrophobicContact CB-CZ2 4.45Å; A147-W322 HydrophobicContact CB-CZ3 3.84Å; A147-W322 WeakPolarHBondContact O-CZ3 3.33Å; A147-L325 HydrophobicContact CB-CD1 4.48Å; A147-L325 HydrophobicContact CB-CD2 3.87Å
148E98.7Very high96.7Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-67-43.2176.1-62.7-164.8152.200112.2F101 F144 Y145 L150 T151 A152 H178 I179 L325F101-E148 HydrophobicContact CD1-CB 4.36Å; F101-E148 HydrophobicContact CD2-CB 4.13Å; F101-E148 HydrophobicContact CE1-CB 4.27Å; F101-E148 HydrophobicContact CE1-CG 3.96Å; F101-E148 WeakPolarHBondContact CE1-OE1 3.46Å; F101-E148 HydrophobicContact CE2-CB 4.05Å; F101-E148 HydrophobicContact CE2-CG 4.05Å; F101-E148 HydrophobicContact CG-CB 4.3Å; F101-E148 HydrophobicContact CZ-CB 4.12Å; F101-E148 HydrophobicContact CZ-CG 3.7Å; F144-E148 HydrophobicContact CD1-CG 4.48Å; F144-E148 HydrophobicContact CE1-CG 4.1Å; F144-E148 WeakPolarHBondContact CE1-OE1 3.48Å; F144-E148 WeakPolarHBondContact CZ-OE1 3.27Å; F144-E148 PolarHBondContact O-N 2.97Å; Y145-E148 PolarHBondContact O-N 2.76Å; E148-L150 VanDerWaalsContact C-N 3.33Å; E148-L150 PolarHBondContact O-N 2.87Å; E148-T151 PolarHBondContact O-N 3.41Å; E148-A152 PolarHBondContact O-N 2.95Å; E148-H178 IonicContact OE1-CE1 2.95Å; E148-H178 IonicContact OE1-CG 3.62Å; E148-H178 IonicContact OE1-ND1 2.71Å; E148-H178 PolarHBondContact OE1-ND1 3.36Å; E148-I179 HydrophobicContact CB-CD1 4.31Å; E148-I179 HydrophobicContact CB-CG1 3.51Å; E148-I179 WeakPolarHBondContact OE2-CG1 2.89Å; E148-I179 WeakPolarHBondContact OE2-CG2 3.43Å; E148-I179 PolarHBondContact OE2-N 3.03Å; E148-L325 HydrophobicContact CG-CD1 4.24Å; E148-L325 HydrophobicContact CG-CD2 4.13Å; E148-L325 HydrophobicContact CG-CG 4.18Å
149I98.8Very high97Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-59.3-46.2174.1-68.1163.8000110Y145 A146 T151 A152 L153 L166 V171 I179 L181 F240 I243Y145-I149 WeakPolarHBondContact O-CD1 3.04Å; Y145-I149 VanDerWaalsContact O-CG1 3.25Å; Y145-I149 WeakPolarHBondContact O-CG1 3.32Å; Y145-I149 PolarHBondContact O-N 3.21Å; A146-I149 PolarHBondContact O-N 3.13Å; I149-T151 VanDerWaalsContact C-N 3.32Å; I149-T151 PolarHBondContact O-N 2.88Å; I149-A152 WeakPolarHBondContact O-CB 3.49Å; I149-A152 PolarHBondContact O-N 2.91Å; I149-A152 VanDerWaalsContact O-N 3.17Å; I149-L153 HydrophobicContact CG2-CD1 4.21Å; I149-L153 HydrophobicContact CG2-CG 4.35Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.11Å; I149-L166 HydrophobicContact CG2-CD1 4.24Å; I149-L166 HydrophobicContact CG2-CD2 4Å; I149-V171 HydrophobicContact CD1-CG1 4.31Å; I149-V171 HydrophobicContact CD1-CG2 3.98Å; I149-V171 HydrophobicContact CG1-CG1 4.36Å; I149-V171 HydrophobicContact CG1-CG2 4.28Å; I149-I179 HydrophobicContact CG1-CD1 4.13Å; I149-L181 HydrophobicContact CG1-CD2 4.4Å; I149-F240 HydrophobicContact CB-CD2 4.39Å; I149-F240 HydrophobicContact CB-CE2 4.04Å; I149-F240 HydrophobicContact CG2-CD2 3.7Å; I149-F240 HydrophobicContact CG2-CE2 3.85Å; I149-I243 HydrophobicContact CD1-CG2 4.28Å
150L98.6Very high97Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-60.4-42.6178.2-175.859.7000111.6A146 A147 E148 A152 L153 D154 F237 F240 V311 R312 F317 W322A146-L150 WeakPolarHBondContact O-CB 3.3Å; A146-L150 PolarHBondContact O-N 2.92Å; A147-L150 PolarHBondContact O-N 3.36Å; E148-L150 VanDerWaalsContact C-N 3.33Å; E148-L150 PolarHBondContact O-N 2.87Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.3Å; L150-L153 PolarHBondContact O-N 3.03Å; L150-D154 PolarHBondContact O-N 3.17Å; L150-F237 HydrophobicContact CD1-CE1 3.76Å; L150-F237 HydrophobicContact CD1-CZ 4.46Å; L150-F240 HydrophobicContact CB-CE1 4.43Å; L150-F240 HydrophobicContact CB-CE2 4.39Å; L150-F240 HydrophobicContact CB-CZ 3.87Å; L150-F240 HydrophobicContact CD1-CE1 4.26Å; L150-V311 HydrophobicContact CD1-CB 4.28Å; L150-V311 HydrophobicContact CD1-CG1 3.85Å; L150-V311 HydrophobicContact CD2-CB 4.28Å; L150-V311 HydrophobicContact CD2-CG1 3.83Å; L150-R312 HydrophobicContact CD2-CB 4.06Å; L150-F317 HydrophobicContact CD2-CE2 4.1Å; L150-F317 HydrophobicContact CD2-CZ 4.3Å; L150-W322 HydrophobicContact CB-CH2 4.48Å; L150-W322 HydrophobicContact CD2-CH2 3.83Å
151T98.3Very high97.1Very high27 Ų2718.9 Ų18.917%0.16610%0.104CC..Hα-helixtrans-61.1-40.5176.4-54.80000111.6F101 A147 E148 I149 Y155 W322F101-T151 HydrophobicContact CD2-CG2 4.01Å; F101-T151 HydrophobicContact CE2-CG2 4.03Å; A147-T151 PolarHBondContact O-N 2.66Å; A147-T151 PolarHBondContact O-OG1 3.46Å; E148-T151 PolarHBondContact O-N 3.41Å; I149-T151 VanDerWaalsContact C-N 3.32Å; I149-T151 PolarHBondContact O-N 2.88Å; T151-Y155 PolarHBondContact O-N 3.2Å; T151-W322 WeakPolarHBondContact OG1-CZ3 3.48Å
152A98.6Very high97.2Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-67.6-38.6175.500000112.5F101 I102 E148 I149 L150 Y155 L156 L181F101-A152 HydrophobicContact CB-CB 3.92Å; I102-A152 HydrophobicContact CG1-CB 4.2Å; E148-A152 PolarHBondContact O-N 2.95Å; I149-A152 WeakPolarHBondContact O-CB 3.49Å; I149-A152 PolarHBondContact O-N 2.91Å; I149-A152 VanDerWaalsContact O-N 3.17Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.3Å; A152-Y155 PolarHBondContact O-N 2.95Å; A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 2.92Å; A152-L181 HydrophobicContact CB-CD1 3.5Å; A152-L181 HydrophobicContact CB-CG 3.89Å
153L98.4Very high97.1Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-65.2-46.2175.2-71.1179.8000111.8I149 L150 Y155 L156 H157 L166 D236 F237 F240I149-L153 HydrophobicContact CG2-CD1 4.21Å; I149-L153 HydrophobicContact CG2-CG 4.35Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.11Å; L150-L153 PolarHBondContact O-N 3.03Å; L153-Y155 PolarHBondContact O-N 2.95Å; L153-L156 HydrophobicContact CD2-CD1 4.48Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L153-H157 WeakPolarHBondContact O-CB 3.04Å; L153-H157 PolarHBondContact O-CD2 3.41Å; L153-H157 PolarHBondContact O-N 2.82Å; L153-L166 HydrophobicContact CD1-CD2 3.88Å; L153-L166 HydrophobicContact CD2-CD1 4.42Å; L153-L166 HydrophobicContact CD2-CD2 4.21Å; L153-L166 HydrophobicContact CG-CD2 4.44Å; L153-D236 HydrophobicContact CD1-CB 4.32Å; L153-D236 HydrophobicContact CD2-CB 3.87Å; L153-F237 HydrophobicContact CD1-CD1 4.26Å; L153-F237 HydrophobicContact CD1-CE1 4.37Å; L153-F240 HydrophobicContact CD1-CB 4.23Å; L153-F240 HydrophobicContact CD1-CD2 4.43Å; L153-F240 HydrophobicContact CD1-CG 4.37Å
154D97.2Very high96.9Very high39 Ų3919.2 Ų19.221%0.20911%0.106CC..Hα-helixtrans-54.5-43.9176-78.6-20000110.8L150 S158L150-D154 PolarHBondContact O-N 3.17Å; D154-S158 WeakPolarHBondContact O-CB 3.32Å; D154-S158 PolarHBondContact O-N 2.92Å
155Y97.7Very high96.6Very high50 Ų5019.3 Ų19.320%0.19611%0.107CC..Hα-helixtrans-62.5-49.7175.1175.7-96.6000112.4T97 N98 H99 I102 T151 A152 L153 H157 S158 M159T97-Y155 HydrophobicContact CG2-CE1 3.99Å; N98-Y155 PolarHBondContact N-OH 3.03Å; H99-Y155 HydrophobicContact CB-CD1 3.63Å; H99-Y155 HydrophobicContact CB-CD2 4.3Å; H99-Y155 HydrophobicContact CB-CE1 3.66Å; H99-Y155 HydrophobicContact CB-CE2 4.34Å; H99-Y155 HydrophobicContact CB-CG 3.95Å; H99-Y155 AromaticContact CD2-CD2 3.73Å; H99-Y155 AromaticContact CD2-CG 3.65Å; H99-Y155 AromaticContact CG-CD1 3.94Å; H99-Y155 AromaticContact CG-CG 3.81Å; I102-Y155 HydrophobicContact CD1-CD1 3.55Å; I102-Y155 HydrophobicContact CD1-CE1 3.99Å; T151-Y155 PolarHBondContact O-N 3.2Å; A152-Y155 PolarHBondContact O-N 2.95Å; L153-Y155 PolarHBondContact O-N 2.95Å; Y155-H157 VanDerWaalsContact C-N 3.35Å; Y155-H157 PolarHBondContact O-N 2.71Å; Y155-S158 PolarHBondContact O-N 2.73Å; Y155-S158 PolarHBondContact O-OG 3.28Å; Y155-M159 HydrophobicContact CE1-CG 4.44Å; Y155-M159 HydrophobicContact CE2-CG 4.48Å; Y155-M159 WeakPolarHBondContact O-CG 3.43Å; Y155-M159 PolarHBondContact O-N 3.19Å
156L97.8Very high96.6Very high0 Ų019.4 Ų19.40%011%0.107CC..Hα-helixtrans-58.2-47177.8-73.6171.3000111.6T97 I102 A152 L153 S158 M159 S160 I161 L181 F184T97-L156 HydrophobicContact CG2-CD2 3.75Å; I102-L156 HydrophobicContact CD1-CD1 4.31Å; I102-L156 HydrophobicContact CD1-CD2 3.74Å; I102-L156 HydrophobicContact CD1-CG 3.76Å; A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 2.92Å; L153-L156 HydrophobicContact CD2-CD1 4.48Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 2.84Å; L156-M159 CarbonylContact O-C 3.57Å; L156-M159 WeakPolarHBondContact O-CA 3.45Å; L156-M159 WeakPolarHBondContact O-CB 3.34Å; L156-M159 PolarHBondContact O-N 3.4Å; L156-S160 PolarHBondContact O-N 3.26Å; L156-I161 CarbonylContact C-O 3.2Å; L156-I161 VanDerWaalsContact C-O 3.29Å; L156-I161 HydrophobicContact CB-CB 4.28Å; L156-I161 HydrophobicContact CD2-CB 4.12Å; L156-I161 HydrophobicContact CD2-CD1 4.36Å; L156-I161 HydrophobicContact CD2-CG2 3.96Å; L156-I161 WeakPolarHBondContact O-CA 2.94Å; L156-I161 WeakPolarHBondContact O-CB 3.23Å; L156-I161 PolarHBondContact O-N 2.85Å; L156-L181 HydrophobicContact CD1-CD1 4.29Å; L156-F184 HydrophobicContact CD1-CE1 3.95Å; L156-F184 HydrophobicContact CD2-CE1 4Å
157H95.7Very high96.4Very high25 Ų2520.4 Ų20.412%0.11611%0.112CC..Hα-helixtrans-64.9-37.8-179.1-64.4176.2000111.3L153 Y155 M159 S160 I161 Y233 D236L153-H157 WeakPolarHBondContact O-CB 3.04Å; L153-H157 PolarHBondContact O-CD2 3.41Å; L153-H157 PolarHBondContact O-N 2.82Å; Y155-H157 VanDerWaalsContact C-N 3.35Å; Y155-H157 PolarHBondContact O-N 2.71Å; H157-M159 PolarHBondContact O-N 3.09Å; H157-S160 WeakPolarHBondContact O-CA 3.29Å; H157-S160 PolarHBondContact O-N 2.76Å; H157-I161 PolarHBondContact CD2-O 3.45Å; H157-Y233 AromaticContact CE1-CD2 3.88Å; H157-Y233 PolarHBondContact CE1-O 2.89Å; H157-Y233 AromaticContact ND1-CD2 3.53Å; H157-D236 IonicContact CD2-OD2 2.79Å; H157-D236 IonicContact CE1-OD2 2.72Å; H157-D236 IonicContact NE2-OD2 2.79Å; H157-D236 PolarHBondContact NE2-OD2 2.81Å
158S94.6Very high96.3Very high87 Ų8720.4 Ų20.461%0.60811%0.112SC*.Hα-helixtrans-61.1-28.5172.980.40000113D154 Y155 L156 S160D154-S158 WeakPolarHBondContact O-CB 3.32Å; D154-S158 PolarHBondContact O-N 2.92Å; Y155-S158 PolarHBondContact O-N 2.73Å; Y155-S158 PolarHBondContact O-OG 3.28Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 2.84Å; S158-S160 VanDerWaalsContact C-N 3.27Å; S158-S160 PolarHBondContact O-N 2.94Å
159M94.4Very high95.9Very high77 Ų7722.3 Ų22.338%0.37912%0.12SC..THydrogen-bonded Turntrans-88.710.5175.1-65.8-64.7-68.700112.8Y155 L156 H157 I161Y155-M159 HydrophobicContact CE1-CG 4.44Å; Y155-M159 HydrophobicContact CE2-CG 4.48Å; Y155-M159 WeakPolarHBondContact O-CG 3.43Å; Y155-M159 PolarHBondContact O-N 3.19Å; L156-M159 CarbonylContact O-C 3.57Å; L156-M159 WeakPolarHBondContact O-CA 3.45Å; L156-M159 WeakPolarHBondContact O-CB 3.34Å; L156-M159 PolarHBondContact O-N 3.4Å; H157-M159 PolarHBondContact O-N 3.09Å; M159-I161 HydrophobicContact CB-CD1 3.99Å; M159-I161 HydrophobicContact CB-CG1 3.94Å; M159-I161 WeakPolarHBondContact O-CG1 3.48Å; M159-I161 PolarHBondContact O-N 2.92Å
160S93.6Very high95.8Very high52 Ų5223 Ų2336%0.36412%0.124SC..THydrogen-bonded Turntrans58.529.1-174.3-60.10000113.3L156 H157 S158 I189 L190L156-S160 PolarHBondContact O-N 3.26Å; H157-S160 WeakPolarHBondContact O-CA 3.29Å; H157-S160 PolarHBondContact O-N 2.76Å; S158-S160 VanDerWaalsContact C-N 3.27Å; S158-S160 PolarHBondContact O-N 2.94Å; S160-I189 CarbonylContact O-C 3.13Å; S160-I189 WeakPolarHBondContact O-CA 2.98Å; S160-L190 PolarHBondContact O-N 2.82Å
161I95.2Very high95.8Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-104.6130178.8-52.9-177.9000108.7V93 T97 L156 H157 M159 A187 V188 I189V93-I161 HydrophobicContact CG1-CD1 4.1Å; V93-I161 HydrophobicContact CG1-CG2 3.99Å; V93-I161 HydrophobicContact CG2-CD1 4.38Å; V93-I161 HydrophobicContact CG2-CG2 3.89Å; T97-I161 HydrophobicContact CG2-CD1 3.89Å; L156-I161 CarbonylContact C-O 3.2Å; L156-I161 VanDerWaalsContact C-O 3.29Å; L156-I161 HydrophobicContact CB-CB 4.28Å; L156-I161 HydrophobicContact CD2-CB 4.12Å; L156-I161 HydrophobicContact CD2-CD1 4.36Å; L156-I161 HydrophobicContact CD2-CG2 3.96Å; L156-I161 WeakPolarHBondContact O-CA 2.94Å; L156-I161 WeakPolarHBondContact O-CB 3.23Å; L156-I161 PolarHBondContact O-N 2.85Å; H157-I161 PolarHBondContact CD2-O 3.45Å; M159-I161 HydrophobicContact CB-CD1 3.99Å; M159-I161 HydrophobicContact CB-CG1 3.94Å; M159-I161 WeakPolarHBondContact O-CG1 3.48Å; M159-I161 PolarHBondContact O-N 2.92Å; I161-A187 HydrophobicContact CG2-CB 4.46Å; I161-V188 WeakPolarHBondContact CA-O 3.31Å; I161-I189 HydrophobicContact CG1-CG1 4.27Å
162V95Very high95.7Very high1 Ų123.4 Ų23.41%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-114.8128.2172.3-174.10000108.4R164 A187 V188 L190 T232 D236V162-R164 HydrophobicContact CB-CG 4.27Å; V162-R164 HydrophobicContact CG1-CG 3.71Å; V162-A187 CarbonylContact O-C 3.6Å; V162-A187 WeakPolarHBondContact O-CA 3.5Å; V162-A187 WeakPolarHBondContact O-CB 3.24Å; V162-V188 HydrophobicContact CB-CG2 3.82Å; V162-V188 HydrophobicContact CG2-CG2 4.3Å; V162-V188 PolarHBondContact N-O 3.01Å; V162-V188 PolarHBondContact O-N 2.86Å; V162-L190 HydrophobicContact CG2-CD1 4.01Å; V162-L190 HydrophobicContact CG2-CD2 4.2Å; V162-L190 HydrophobicContact CG2-CG 4.13Å; V162-T232 HydrophobicContact CB-CG2 4.47Å; V162-T232 HydrophobicContact CG1-CG2 4.37Å; V162-T232 HydrophobicContact CG2-CG2 4.12Å; V162-D236 WeakPolarHBondContact CG1-OD2 3.37Å
163H95Very high95.5Very high0 Ų023.4 Ų23.40%013%0.125CC..  trans-72.6-43.6-173.1-170.1-48.2000112.5D165 A182 D183 F184 S186 A187 D236H163-D165 PolarHBondContact CE1-O 3.29Å; H163-D165 PolarHBondContact ND1-N 2.91Å; H163-D165 PolarHBondContact O-N 3.49Å; H163-A182 PolarHBondContact NE2-O 2.91Å; H163-D183 PolarHBondContact CE1-O 2.74Å; H163-F184 AromaticContact CD2-CE1 3.76Å; H163-S186 CarbonylContact O-C 3.29Å; H163-A187 WeakPolarHBondContact O-CA 3.4Å; H163-A187 PolarHBondContact O-N 3.09Å; H163-D236 PolarHBondContact N-OD1 2.98Å; H163-D236 PolarHBondContact N-OD2 2.82Å
164R93.2Very high95.2Very high34 Ų3424.1 Ų24.113%0.12813%0.129CC..SBendtrans60.75.2178.3-56.9-164.5-56.3165.72.6117.4V162 S186 V188 P198 M211 M235 D236V162-R164 HydrophobicContact CB-CG 4.27Å; V162-R164 HydrophobicContact CG1-CG 3.71Å; R164-S186 PolarHBondContact NE-O 3.35Å; R164-S186 PolarHBondContact NH2-O 2.78Å; R164-V188 HydrophobicContact CG-CG2 4.37Å; R164-P198 PolarHBondContact NH2-O 3.06Å; R164-M211 HydrophobicContact CB-CE 3.75Å; R164-M211 HydrophobicContact CG-CE 3.94Å; R164-M235 HydrophobicContact CG-SD 4.43Å; R164-D236 PolarHBondContact N-OD1 2.83Å
165D93.2Very high94.8Very high14 Ų1427.3 Ų27.38%0.07515%0.147CC..  trans-15040.7176.1-166.140000110.4H163 K167 N170H163-D165 PolarHBondContact CE1-O 3.29Å; H163-D165 PolarHBondContact ND1-N 2.91Å; H163-D165 PolarHBondContact O-N 3.49Å; D165-K167 VanDerWaalsContact CG-NZ 3.27Å; D165-K167 PolarHBondContact O-N 3.27Å; D165-K167 IonicContact OD1-NZ 3.74Å; D165-K167 PolarHBondContact OD1-NZ 3.44Å; D165-K167 IonicContact OD2-NZ 2.73Å; D165-K167 PolarHBondContact OD2-NZ 3.29Å; D165-N170 PolarHBondContact O-ND2 3.45Å; D165-N170 PolarHBondContact OD2-ND2 3.13Å
166L96.6Very high94.4Very high1 Ų131.9 Ų31.91%0.00517%0.168CC..  trans-72.4123176.5-172.676.8000109.3I149 L153 L181 A239 F240 I243I149-L166 HydrophobicContact CG2-CD1 4.24Å; I149-L166 HydrophobicContact CG2-CD2 4Å; L153-L166 HydrophobicContact CD1-CD2 3.88Å; L153-L166 HydrophobicContact CD2-CD1 4.42Å; L153-L166 HydrophobicContact CD2-CD2 4.21Å; L153-L166 HydrophobicContact CG-CD2 4.44Å; L166-L181 HydrophobicContact CD1-CD1 4.04Å; L166-L181 HydrophobicContact CD1-CD2 3.87Å; L166-A239 HydrophobicContact CB-CB 3.94Å; L166-A239 HydrophobicContact CD2-CB 4.43Å; L166-F240 HydrophobicContact CD2-CB 4.18Å; L166-I243 HydrophobicContact CD2-CD1 3.86Å; L166-I243 HydrophobicContact CG-CD1 3.63Å
167K95.5Very high94.2Very high21 Ų2134.1 Ų34.19%0.09118%0.179CC..  trans-161.7160.7-179.260-173.4179.2-139.70110.3D165 E169 N170 V171 T203 Y206D165-K167 VanDerWaalsContact CG-NZ 3.27Å; D165-K167 PolarHBondContact O-N 3.27Å; D165-K167 IonicContact OD1-NZ 3.74Å; D165-K167 PolarHBondContact OD1-NZ 3.44Å; D165-K167 IonicContact OD2-NZ 2.73Å; D165-K167 PolarHBondContact OD2-NZ 3.29Å; K167-E169 VanDerWaalsContact CB-OE2 3.26Å; K167-E169 WeakPolarHBondContact CB-OE2 3.47Å; K167-E169 HydrophobicContact CD-CB 4.34Å; K167-E169 WeakPolarHBondContact CD-OE2 3.33Å; K167-E169 HydrophobicContact CG-CB 4.13Å; K167-E169 WeakPolarHBondContact CG-OE2 3.46Å; K167-E169 PolarHBondContact O-N 3.2Å; K167-E169 VanDerWaalsContact O-N 3.11Å; K167-N170 WeakPolarHBondContact CE-ND2 3.42Å; K167-N170 HydrophobicContact CG-CB 4.18Å; K167-N170 PolarHBondContact O-N 3.23Å; K167-V171 PolarHBondContact O-N 2.97Å; K167-T203 PolarHBondContact NZ-OG1 2.62Å; K167-Y206 HydrophobicContact CB-CD1 4.23Å; K167-Y206 HydrophobicContact CB-CD2 3.6Å; K167-Y206 HydrophobicContact CB-CE1 4.18Å; K167-Y206 HydrophobicContact CB-CE2 3.51Å; K167-Y206 HydrophobicContact CB-CG 3.96Å; K167-Y206 HydrophobicContact CD-CD2 4.32Å; K167-Y206 HydrophobicContact CD-CE2 4.27Å
168P95.4Very high94.3Very high0 Ų034.2 Ų34.20%018%0.179CC..G310 helixtrans-60.6-22.6-176-23.435.5000114.9L127 L128 L131 N170 V171 Y206 I243 Q246L127-P168 PolarHBondContact N-O 3.34Å; L128-P168 HydrophobicContact CB-CB 3.98Å; L128-P168 HydrophobicContact CD1-CB 4.22Å; L128-P168 PolarHBondContact N-O 2.91Å; L131-P168 HydrophobicContact CD2-CG 4.49Å; P168-N170 VanDerWaalsContact C-N 3.32Å; P168-V171 PolarHBondContact O-N 3.2Å; P168-Y206 VanDerWaalsContact CD-OH 3.28Å; P168-Y206 WeakPolarHBondContact CD-OH 3.33Å; P168-I243 HydrophobicContact CG-CG1 4.24Å; P168-Q246 VanDerWaalsContact CG-OE1 3.27Å
169E92.3Very high94.5Very high40 Ų4030.1 Ų30.119%0.18715%0.15CC..G310 helixtrans-65.8-35173-6187.7155.200111.9E126 L128 K167 V171E126-E169 WeakPolarHBondContact CG-O 3.43Å; L128-E169 HydrophobicContact CB-CG 3.97Å; L128-E169 HydrophobicContact CD2-CG 3.42Å; L128-E169 VanDerWaalsContact CD2-CG 3.42Å; L128-E169 HydrophobicContact CG-CG 4.15Å; K167-E169 VanDerWaalsContact CB-OE2 3.26Å; K167-E169 WeakPolarHBondContact CB-OE2 3.47Å; K167-E169 HydrophobicContact CD-CB 4.34Å; K167-E169 WeakPolarHBondContact CD-OE2 3.33Å; K167-E169 HydrophobicContact CG-CB 4.13Å; K167-E169 WeakPolarHBondContact CG-OE2 3.46Å; K167-E169 PolarHBondContact O-N 3.2Å; K167-E169 VanDerWaalsContact O-N 3.11Å; E169-V171 VanDerWaalsContact C-N 3.31Å
170N95.4Very high94.7Very high14 Ų1427.3 Ų27.38%0.07514%0.136CC..G310 helixtrans-91.14.2-178.7-71-7.6000112.4D165 K167 P168 A182D165-N170 PolarHBondContact O-ND2 3.45Å; D165-N170 PolarHBondContact OD2-ND2 3.13Å; K167-N170 WeakPolarHBondContact CE-ND2 3.42Å; K167-N170 HydrophobicContact CG-CB 4.18Å; K167-N170 PolarHBondContact O-N 3.23Å; P168-N170 VanDerWaalsContact C-N 3.32Å; N170-A182 PolarHBondContact O-N 2.94Å
171V98.2Very high94.9Very high0 Ų024.9 Ų24.90%012%0.119CC..EExtended strand (participates in β ladder)trans-103.9101.6172.5-176.30000107.8L127 I149 K167 P168 E169 I179 L181L127-V171 HydrophobicContact CB-CB 3.97Å; L127-V171 HydrophobicContact CB-CG1 4.07Å; L127-V171 WeakPolarHBondContact CB-O 3.43Å; L127-V171 HydrophobicContact CD2-CB 4.17Å; L127-V171 HydrophobicContact CD2-CG1 3.89Å; L127-V171 PolarHBondContact N-O 3.2Å; I149-V171 HydrophobicContact CD1-CG1 4.31Å; I149-V171 HydrophobicContact CD1-CG2 3.98Å; I149-V171 HydrophobicContact CG1-CG1 4.36Å; I149-V171 HydrophobicContact CG1-CG2 4.28Å; K167-V171 PolarHBondContact O-N 2.97Å; P168-V171 PolarHBondContact O-N 3.2Å; E169-V171 VanDerWaalsContact C-N 3.31Å; V171-I179 HydrophobicContact CG1-CB 3.76Å; V171-I179 HydrophobicContact CG1-CD1 4.48Å; V171-I179 HydrophobicContact CG1-CG2 3.55Å; V171-L181 HydrophobicContact CB-CD2 4.47Å; V171-L181 HydrophobicContact CG2-CD2 3.76Å
172L96.4Very high94.9Very high37 Ų3725.5 Ų25.519%0.19412%0.124CC..EExtended strand (participates in β ladder)trans-90.2158178.7-52.5-177.7000111.1I103 A122 G125 E126 I179 K180 A182I103-L172 HydrophobicContact CD1-CD1 4.02Å; I103-L172 HydrophobicContact CG1-CD1 4.11Å; A122-L172 HydrophobicContact CB-CB 3.54Å; A122-L172 HydrophobicContact CB-CD1 4.13Å; A122-L172 HydrophobicContact CB-CG 4.48Å; G125-L172 CarbonylContact O-C 3.5Å; G125-L172 VanDerWaalsContact O-CA 3.3Å; G125-L172 WeakPolarHBondContact O-CA 3.44Å; E126-L172 HydrophobicContact CB-CD2 4.34Å; E126-L172 HydrophobicContact CG-CD2 3.69Å; L172-I179 CarbonylContact O-C 3.59Å; L172-I179 WeakPolarHBondContact O-CA 3.43Å; L172-K180 HydrophobicContact CB-CB 4.39Å; L172-K180 PolarHBondContact N-O 3.13Å; L172-K180 PolarHBondContact O-N 3.16Å; L172-A182 HydrophobicContact CD1-CB 3.71Å; L172-A182 HydrophobicContact CG-CB 3.94Å
173L93.8Very high94.8Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-116.1132.8178.7-61.7-177.8000111.3A122 R123 C124 G125 L127 Y130 Y145 M177 H178 I179A122-L173 CarbonylContact C-O 3.5Å; A122-L173 WeakPolarHBondContact CB-O 3.43Å; R123-L173 PolarHBondContact N-O 3.45Å; C124-L173 WeakPolarHBondContact CA-O 3.18Å; C124-L173 HydrophobicContact CB-CB 3.65Å; C124-L173 WeakPolarHBondContact CB-O 3.27Å; C124-L173 PolarHBondContact N-O 3.21Å; G125-L173 PolarHBondContact O-N 2.89Å; L127-L173 HydrophobicContact CD1-CD1 4.37Å; Y130-L173 HydrophobicContact CD2-CD1 3.64Å; Y130-L173 HydrophobicContact CE2-CD1 3.56Å; Y130-L173 HydrophobicContact CE2-CG 4.49Å; Y130-L173 HydrophobicContact CG-CD1 4.33Å; Y145-L173 HydrophobicContact CD1-CD2 4.25Å; Y145-L173 HydrophobicContact CE1-CD2 3.67Å; L173-M177 HydrophobicContact CD1-CE 3.68Å; L173-M177 HydrophobicContact CD1-SD 4.43Å; L173-H178 WeakPolarHBondContact CA-O 3.34Å; L173-I179 HydrophobicContact CD2-CG2 3.8Å
174T92.2Very high94.8Very high14 Ų1428.3 Ų28.39%0.08614%0.139CC..  trans-72.6171.9172.560.30000111.7C124 K176 M177 H178 K180C124-T174 WeakPolarHBondContact CB-O 3.35Å; C124-T174 PolarHBondContact SG-O 3.27Å; T174-K176 PolarHBondContact O-N 3.25Å; T174-K176 PolarHBondContact OG1-N 3Å; T174-M177 PolarHBondContact O-N 2.76Å; T174-M177 PolarHBondContact OG1-N 2.82Å; T174-H178 PolarHBondContact N-O 3.14Å; T174-H178 PolarHBondContact OG1-N 2.77Å; T174-H178 VanDerWaalsContact OG1-N 3.14Å; T174-H178 PolarHBondContact OG1-O 2.79Å; T174-H178 VanDerWaalsContact OG1-O 3.08Å; T174-K180 HydrophobicContact CG2-CD 4.32Å; T174-K180 HydrophobicContact CG2-CG 3.69Å
175D88.9Confident94.7Very high106 Ų10627.1 Ų27.157%0.56714%0.137SC*.THydrogen-bonded Turntrans-57.4-26.617061.7-47.2000113.1R123R123-D175 HydrophobicContact CB-CB 4.28Å
176K89.9Confident94.7Very high147 Ų14726.8 Ų26.864%0.63914%0.136SC*.THydrogen-bonded Turntrans-91.58.9174.7-61.3-175.5-178179.60114T174 H178 P330T174-K176 PolarHBondContact O-N 3.25Å; T174-K176 PolarHBondContact OG1-N 3Å; K176-H178 PolarHBondContact O-N 3.3Å; K176-P330 WeakPolarHBondContact O-CD 3.38Å; K176-P330 WeakPolarHBondContact O-CG 3.42Å
177M93.8Very high94.5Very high47 Ų4726.7 Ų26.723%0.23214%0.136CC..SBendtrans65.710.4-179.9-59.2-62.5-67.900116.3C124 Y130 Y145 L173 T174 P330 L333C124-M177 HydrophobicContact CB-SD 4.05Å; Y130-M177 HydrophobicContact CE1-CE 4.19Å; Y145-M177 WeakPolarHBondContact CE1-O 3.31Å; Y145-M177 PolarHBondContact OH-O 2.92Å; L173-M177 HydrophobicContact CD1-CE 3.68Å; L173-M177 HydrophobicContact CD1-SD 4.43Å; T174-M177 PolarHBondContact O-N 2.76Å; T174-M177 PolarHBondContact OG1-N 2.82Å; M177-P330 HydrophobicContact CB-CB 3.98Å; M177-P330 HydrophobicContact CB-CG 4.13Å; M177-L333 HydrophobicContact CE-CD1 3.46Å; M177-L333 VanDerWaalsContact CE-CD1 3.46Å; M177-L333 HydrophobicContact CE-CG 4.15Å
178H97.4Very high94.4Very high27 Ų2726.3 Ų26.313%0.12514%0.135CC..  trans-77.3152.6166.7-70.5-76.5000111.5F101 E148 L173 T174 K176 Q328F101-H178 HydrophobicContact CE1-CB 4.41Å; E148-H178 IonicContact OE1-CE1 2.95Å; E148-H178 IonicContact OE1-CG 3.62Å; E148-H178 IonicContact OE1-ND1 2.71Å; E148-H178 PolarHBondContact OE1-ND1 3.36Å; L173-H178 WeakPolarHBondContact CA-O 3.34Å; T174-H178 PolarHBondContact N-O 3.14Å; T174-H178 PolarHBondContact OG1-N 2.77Å; T174-H178 VanDerWaalsContact OG1-N 3.14Å; T174-H178 PolarHBondContact OG1-O 2.79Å; T174-H178 VanDerWaalsContact OG1-O 3.08Å; K176-H178 PolarHBondContact O-N 3.3Å; H178-Q328 PolarHBondContact CE1-O 3.21Å; H178-Q328 PolarHBondContact NE2-O 2.81Å
179I98.4Very high94.2Very high0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-78.3156.9-179.171.1114.7000114.3F101 Y145 E148 I149 V171 L172 L173 L181F101-I179 WeakPolarHBondContact CA-O 3.44Å; F101-I179 HydrophobicContact CB-CD1 3.81Å; F101-I179 HydrophobicContact CB-CG1 4.1Å; F101-I179 HydrophobicContact CD1-CG1 4.21Å; F101-I179 HydrophobicContact CG-CD1 4.46Å; F101-I179 HydrophobicContact CG-CG1 4.27Å; Y145-I179 HydrophobicContact CD1-CG2 3.54Å; Y145-I179 HydrophobicContact CE1-CG2 4.13Å; E148-I179 HydrophobicContact CB-CD1 4.31Å; E148-I179 HydrophobicContact CB-CG1 3.51Å; E148-I179 WeakPolarHBondContact OE2-CG1 2.89Å; E148-I179 WeakPolarHBondContact OE2-CG2 3.43Å; E148-I179 PolarHBondContact OE2-N 3.03Å; I149-I179 HydrophobicContact CG1-CD1 4.13Å; V171-I179 HydrophobicContact CG1-CB 3.76Å; V171-I179 HydrophobicContact CG1-CD1 4.48Å; V171-I179 HydrophobicContact CG1-CG2 3.55Å; L172-I179 CarbonylContact O-C 3.59Å; L172-I179 WeakPolarHBondContact O-CA 3.43Å; L173-I179 HydrophobicContact CD2-CG2 3.8Å; I179-L181 HydrophobicContact CD1-CD2 3.87Å; I179-L181 HydrophobicContact CD1-CG 3.93Å
180K98.3Very high94.1Very high19 Ų1926.6 Ų26.68%0.08314%0.138CC..EExtended strand (participates in β ladder)trans-136.7112.7164.2-63.1-71.7-179.1156.70109I100 F101 I103 E120 L172 T174I100-K180 WeakPolarHBondContact O-CD 3.49Å; I100-K180 WeakPolarHBondContact O-CE 3.49Å; I100-K180 PolarHBondContact O-NZ 3.17Å; F101-K180 CarbonylContact O-C 3.54Å; F101-K180 WeakPolarHBondContact O-CA 3.3Å; I103-K180 HydrophobicContact CD1-CB 3.39Å; I103-K180 HydrophobicContact CD1-CG 3.89Å; I103-K180 HydrophobicContact CG1-CB 3.71Å; E120-K180 VanDerWaalsContact CD-CE 3.46Å; E120-K180 WeakPolarHBondContact OE1-CE 3.49Å; E120-K180 IonicContact OE1-NZ 3.92Å; E120-K180 PolarHBondContact OE1-NZ 2.83Å; E120-K180 WeakPolarHBondContact OE2-CE 3.15Å; E120-K180 IonicContact OE2-NZ 3.3Å; E120-K180 PolarHBondContact OE2-NZ 3.41Å; L172-K180 HydrophobicContact CB-CB 4.39Å; L172-K180 PolarHBondContact N-O 3.13Å; L172-K180 PolarHBondContact O-N 3.16Å; T174-K180 HydrophobicContact CG2-CD 4.32Å; T174-K180 HydrophobicContact CG2-CG 3.69Å
181L98.5Very high93.3Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-66.6134.7170.2-64.4-168.3000110.2F101 I102 I103 I149 A152 L156 L166 V171 I179 F184F101-L181 PolarHBondContact O-N 2.84Å; I102-L181 HydrophobicContact CG1-CB 4.4Å; I103-L181 PolarHBondContact N-O 2.88Å; I149-L181 HydrophobicContact CG1-CD2 4.4Å; A152-L181 HydrophobicContact CB-CD1 3.5Å; A152-L181 HydrophobicContact CB-CG 3.89Å; L156-L181 HydrophobicContact CD1-CD1 4.29Å; L166-L181 HydrophobicContact CD1-CD1 4.04Å; L166-L181 HydrophobicContact CD1-CD2 3.87Å; V171-L181 HydrophobicContact CB-CD2 4.47Å; V171-L181 HydrophobicContact CG2-CD2 3.76Å; I179-L181 HydrophobicContact CD1-CD2 3.87Å; I179-L181 HydrophobicContact CD1-CG 3.93Å; L181-F184 HydrophobicContact CB-CZ 4.45Å
182A96.2Very high92.4Very high14 Ų1432.7 Ų32.712%0.11617%0.172CC..  trans-134.8172.9-176.700000111.2I103 H163 N170 L172I103-A182 HydrophobicContact CG1-CB 3.78Å; H163-A182 PolarHBondContact NE2-O 2.91Å; N170-A182 PolarHBondContact O-N 2.94Å; L172-A182 HydrophobicContact CD1-CB 3.71Å; L172-A182 HydrophobicContact CG-CB 3.94Å
183D92.7Very high91.3Very high60 Ų6036.8 Ų36.832%0.32120%0.2SC..  trans60.285.3178.7-162.3-6.6000115.4H163 G185H163-D183 PolarHBondContact CE1-O 2.74Å; D183-G185 PolarHBondContact OD1-N 2.99Å
184F94.9Very high90.5Very high0 Ų044 Ų440%024%0.239CC..  trans-9817.4177.7-60.6-79.4000113.2E90 V93 L94 I102 L156 H163 L181 S186 A187E90-F184 HydrophobicContact CG-CB 4.24Å; V93-F184 HydrophobicContact CB-CB 3.94Å; V93-F184 HydrophobicContact CB-CG 4.21Å; V93-F184 HydrophobicContact CG1-CB 3.76Å; V93-F184 HydrophobicContact CG1-CD1 3.48Å; V93-F184 VanDerWaalsContact CG1-CD1 3.48Å; V93-F184 HydrophobicContact CG1-CD2 4.06Å; V93-F184 HydrophobicContact CG1-CE1 4.05Å; V93-F184 HydrophobicContact CG1-CG 3.47Å; V93-F184 VanDerWaalsContact CG1-CG 3.47Å; V93-F184 HydrophobicContact CG2-CB 4.5Å; L94-F184 HydrophobicContact CD2-CD2 3.6Å; L94-F184 HydrophobicContact CD2-CE2 3.76Å; L94-F184 HydrophobicContact CG-CD2 3.97Å; I102-F184 HydrophobicContact CG2-CE2 3.85Å; I102-F184 HydrophobicContact CG2-CZ 3.65Å; L156-F184 HydrophobicContact CD1-CE1 3.95Å; L156-F184 HydrophobicContact CD2-CE1 4Å; H163-F184 AromaticContact CD2-CE1 3.76Å; L181-F184 HydrophobicContact CB-CZ 4.45Å; F184-S186 PolarHBondContact O-N 2.98Å; F184-A187 HydrophobicContact CB-CB 4.08Å; F184-A187 HydrophobicContact CD1-CB 4.36Å; F184-A187 VanDerWaalsContact O-CB 3.29Å; F184-A187 WeakPolarHBondContact O-CB 3.36Å; F184-A187 PolarHBondContact O-N 3.16Å; F184-A187 VanDerWaalsContact O-N 3.08Å
185G91.7Very high89.7Confident9 Ų944.8 Ų44.89%0.09324%0.243CC..THydrogen-bonded Turntrans-63.9-23.9-17900000114.2S86 D183 P198S86-G185 WeakPolarHBondContact CA-O 3.29Å; S86-G185 WeakPolarHBondContact CB-O 3.35Å; S86-G185 PolarHBondContact OG-O 3.31Å; S86-G185 VanDerWaalsContact OG-O 3.13Å; D183-G185 PolarHBondContact OD1-N 2.99Å; G185-P198 WeakPolarHBondContact O-CG 3.2Å
186S91.4Very high89.3Confident6 Ų647.1 Ų47.14%0.04225%0.248CC..THydrogen-bonded Turntrans-97.6-4.1176.3-680000113.3H163 R164 F184H163-S186 CarbonylContact O-C 3.29Å; R164-S186 PolarHBondContact NE-O 3.35Å; R164-S186 PolarHBondContact NH2-O 2.78Å; F184-S186 PolarHBondContact O-N 2.98Å
187A93.5Very high89Confident0 Ų043.1 Ų43.10%024%0.242CC..  trans-64.7167.4-174.200000112.8M89 V93 I161 V162 H163 F184 P198M89-A187 HydrophobicContact CG-CB 4.34Å; M89-A187 VanDerWaalsContact CG-O 3.24Å; M89-A187 WeakPolarHBondContact CG-O 3.21Å; V93-A187 HydrophobicContact CG2-CB 3.96Å; I161-A187 HydrophobicContact CG2-CB 4.46Å; V162-A187 CarbonylContact O-C 3.6Å; V162-A187 WeakPolarHBondContact O-CA 3.5Å; V162-A187 WeakPolarHBondContact O-CB 3.24Å; H163-A187 WeakPolarHBondContact O-CA 3.4Å; H163-A187 PolarHBondContact O-N 3.09Å; F184-A187 HydrophobicContact CB-CB 4.08Å; F184-A187 HydrophobicContact CD1-CB 4.36Å; F184-A187 VanDerWaalsContact O-CB 3.29Å; F184-A187 WeakPolarHBondContact O-CB 3.36Å; F184-A187 PolarHBondContact O-N 3.16Å; F184-A187 VanDerWaalsContact O-N 3.08Å; A187-P198 WeakPolarHBondContact O-CD 3.45Å; A187-P198 WeakPolarHBondContact O-CG 3.46Å
188V92.4Very high88.3Confident12 Ų1241.1 Ų41.17%0.07323%0.232CC..EExtended strand (participates in β ladder)trans-134.9143.5164.7-73.80000109.9I161 V162 R164 L190 A197 T232I161-V188 WeakPolarHBondContact CA-O 3.31Å; V162-V188 HydrophobicContact CB-CG2 3.82Å; V162-V188 HydrophobicContact CG2-CG2 4.3Å; V162-V188 PolarHBondContact N-O 3.01Å; V162-V188 PolarHBondContact O-N 2.86Å; R164-V188 HydrophobicContact CG-CG2 4.37Å; V188-L190 HydrophobicContact CG2-CD2 4.12Å; V188-A197 HydrophobicContact CG1-CB 3.58Å; V188-T232 HydrophobicContact CG2-CG2 4.43Å
189I92.9Very high87.4Confident13 Ų1343.3 Ų43.37%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-100.5110.1166.8-55.3170.4000106.2M89 E92 V93 S160 I161 S192M89-I189 HydrophobicContact SD-CD1 4.09Å; M89-I189 HydrophobicContact SD-CG1 3.86Å; E92-I189 HydrophobicContact CB-CD1 4.06Å; E92-I189 HydrophobicContact CG-CD1 3.48Å; E92-I189 VanDerWaalsContact CG-CD1 3.48Å; V93-I189 HydrophobicContact CG2-CD1 4.05Å; V93-I189 HydrophobicContact CG2-CG1 3.89Å; S160-I189 CarbonylContact O-C 3.13Å; S160-I189 WeakPolarHBondContact O-CA 2.98Å; I161-I189 HydrophobicContact CG1-CG1 4.27Å; I189-S192 WeakPolarHBondContact O-CB 3.47Å; I189-S192 PolarHBondContact O-N 3.44Å
190L88.5Confident85.9Confident34 Ų3445.3 Ų45.318%0.17826%0.26CS..THydrogen-bonded Turntrans-61.5145177.6-51.4177.2000109.1S160 V162 V188 S192 T232S160-L190 PolarHBondContact O-N 2.82Å; V162-L190 HydrophobicContact CG2-CD1 4.01Å; V162-L190 HydrophobicContact CG2-CD2 4.2Å; V162-L190 HydrophobicContact CG2-CG 4.13Å; V188-L190 HydrophobicContact CG2-CD2 4.12Å; L190-S192 PolarHBondContact O-N 2.72Å; L190-S192 VanDerWaalsContact O-N 3.1Å; L190-T232 HydrophobicContact CD2-CG2 4.09Å
191N80Confident84.2Confident119 Ų11949.4 Ų49.464%0.63629%0.286SS*.THydrogen-bonded Turntrans5822.3179.3-53.5-28.8000115.4P193 Q229N191-P193 WeakPolarHBondContact O-CD 3.45Å; N191-Q229 PolarHBondContact OD1-OE1 2.77Å
192S78.5Confident82.3Confident23 Ų2350.1 Ų50.116%0.16129%0.294CS..  trans-96.2101.5174.2-172.70000111.3I189 L190 N194I189-S192 WeakPolarHBondContact O-CB 3.47Å; I189-S192 PolarHBondContact O-N 3.44Å; L190-S192 PolarHBondContact O-N 2.72Å; L190-S192 VanDerWaalsContact O-N 3.1Å; S192-N194 VanDerWaalsContact C-N 3.26Å; S192-N194 PolarHBondContact O-N 2.76Å
193P73.2Confident81.2Confident122 Ų12251.3 Ų51.379%0.79230%0.299SS*.THydrogen-bonded Turntrans-71.6-21-177.928.4-35.6000113.3N191N191-P193 WeakPolarHBondContact O-CD 3.45Å
194N76.7Confident80.6Confident151 Ų15149.4 Ų49.481%0.80729%0.29SS*.THydrogen-bonded Turntrans-84.9-16.1-170.1-66.4-28.5000113.8S192S192-N194 VanDerWaalsContact C-N 3.26Å; S192-N194 PolarHBondContact O-N 2.76Å
195I76.5Confident80Confident32 Ų3250.1 Ų50.116%0.16429%0.294CS..SBendtrans-128.5124.2-177.2-53.4-172.2000109.6M89 E92M89-I195 HydrophobicContact CB-CG2 4.5Å; M89-I195 HydrophobicContact CE-CB 4.34Å; M89-I195 HydrophobicContact CE-CG2 3.63Å; M89-I195 HydrophobicContact SD-CG2 4.25Å; E92-I195 HydrophobicContact CB-CD1 3.3Å; E92-I195 HydrophobicContact CG-CD1 3.33Å
196K80.7Confident79.9Confident155 Ų15550.1 Ų50.167%0.67429%0.291SS*.PPolyproline II helixtrans-72.2134.2178-66.5-174.4177.4-172.90110.1
197A82Confident79.8Confident62 Ų6250 Ų5051%0.51229%0.29SS..PPolyproline II helixtrans-60128.5172.500000110.1V188V188-A197 HydrophobicContact CG1-CB 3.58Å
198P80.5Confident79.7Confident5 Ų550.1 Ų50.13%0.03229%0.291CS..PPolyproline II helixtrans-66.7145.5177.122.4-27.2000111S86 M89 R164 G185 A187S86-P198 VanDerWaalsContact OG-CB 3.27Å; S86-P198 WeakPolarHBondContact OG-CB 3.4Å; M89-P198 HydrophobicContact CB-CG 4.27Å; M89-P198 HydrophobicContact CG-CG 4.28Å; R164-P198 PolarHBondContact NH2-O 3.06Å; G185-P198 WeakPolarHBondContact O-CG 3.2Å; A187-P198 WeakPolarHBondContact O-CD 3.45Å; A187-P198 WeakPolarHBondContact O-CG 3.46Å
199S77.5Confident79.7Confident73 Ų7349.9 Ų49.951%0.5129%0.289SS..PPolyproline II helixtrans-60.7142167.854.10000109.7T201S199-T201 PolarHBondContact O-N 2.91Å
200F67.7Low79.5Confident43 Ų4350.4 Ų50.419%0.18929%0.292CS..PPolyproline II helixtrans-64.8134.7-177.7-180-103.2000111.9G202 V207 M211 I215F200-G202 VanDerWaalsContact CE1-N 3.34Å; F200-G202 VanDerWaalsContact CE2-CA 3.46Å; F200-G202 VanDerWaalsContact CE2-N 3.33Å; F200-V207 HydrophobicContact CE1-CG1 4.37Å; F200-V207 HydrophobicContact CE1-CG2 3.88Å; F200-V207 HydrophobicContact CE2-CG2 4.34Å; F200-V207 HydrophobicContact CZ-CB 4.4Å; F200-V207 HydrophobicContact CZ-CG1 4.14Å; F200-V207 HydrophobicContact CZ-CG2 3.36Å; F200-M211 HydrophobicContact CD2-CG 4.21Å; F200-M211 HydrophobicContact CD2-SD 3.21Å; F200-M211 WeakPolarHBondContact CD2-SD 3.47Å; F200-M211 HydrophobicContact CE1-SD 4.5Å; F200-M211 HydrophobicContact CE2-CE 4.47Å; F200-M211 HydrophobicContact CE2-CG 4.47Å; F200-M211 HydrophobicContact CE2-SD 3.15Å; F200-M211 WeakPolarHBondContact CE2-SD 3.27Å; F200-M211 HydrophobicContact CG-CG 4.41Å; F200-M211 HydrophobicContact CG-SD 3.96Å; F200-M211 HydrophobicContact CZ-SD 3.85Å; F200-I215 HydrophobicContact CB-CD1 4.1Å; F200-I215 HydrophobicContact CB-CG1 4.33Å; F200-I215 HydrophobicContact CD1-CD1 3.43Å; F200-I215 VanDerWaalsContact CD1-CD1 3.43Å; F200-I215 HydrophobicContact CD1-CG1 4.49Å; F200-I215 HydrophobicContact CE1-CD1 4.16Å; F200-I215 HydrophobicContact CG-CD1 3.97Å
201T62.5Low79.3Confident104 Ų10449.3 Ų49.364%0.63829%0.286SS*.  trans-137.821.2176.253.70000112.4S199S199-T201 PolarHBondContact O-N 2.91Å
202G59.2Low79.5Confident16 Ų1644.7 Ų44.717%0.16526%0.261CS..  trans-82.1174.4-168.100000115.4F200F200-G202 VanDerWaalsContact CE1-N 3.34Å; F200-G202 VanDerWaalsContact CE2-CA 3.46Å; F200-G202 VanDerWaalsContact CE2-N 3.33Å
203T72.1Confident79.5Confident38 Ų3845.8 Ų45.823%0.23327%0.269CS..  trans-76.2122.6-177.3-59.90000110.7K167 E205 Y206 V207K167-T203 PolarHBondContact NZ-OG1 2.62Å; T203-E205 HydrophobicContact CG2-CB 4.32Å; T203-E205 HydrophobicContact CG2-CG 4.42Å; T203-E205 PolarHBondContact O-N 2.82Å; T203-Y206 HydrophobicContact CG2-CD2 3.94Å; T203-Y206 HydrophobicContact CG2-CE2 3.93Å; T203-Y206 PolarHBondContact O-N 2.65Å; T203-V207 WeakPolarHBondContact O-CG2 3.5Å
204P79.6Confident79.3Confident20 Ų2045.6 Ų45.613%0.1325%0.252CS..G310 helixtrans-57.1-23.9-170.422.7-35.4000114.5Y206 E262 T265 F266 I269P204-Y206 VanDerWaalsContact C-N 3.34Å; P204-Y206 PolarHBondContact O-N 3.09Å; P204-E262 HydrophobicContact CG-CG 4.25Å; P204-T265 HydrophobicContact CB-CG2 4.31Å; P204-F266 HydrophobicContact CB-CD1 4.27Å; P204-F266 HydrophobicContact CB-CE1 3.42Å; P204-F266 VanDerWaalsContact CB-CE1 3.42Å; P204-F266 HydrophobicContact CB-CZ 3.86Å; P204-I269 WeakPolarHBondContact O-CD1 3.33Å
205E83Confident78.6Confident15 Ų1541.9 Ų41.97%0.0723%0.232CC..G310 helixtrans-72.9-20.8-173.4-59.5176.816500114.5T203 P252 R255T203-E205 HydrophobicContact CG2-CB 4.32Å; T203-E205 HydrophobicContact CG2-CG 4.42Å; T203-E205 PolarHBondContact O-N 2.82Å; E205-P252 HydrophobicContact CB-CB 4.14Å; E205-P252 HydrophobicContact CB-CG 4.27Å; E205-P252 WeakPolarHBondContact OE2-CG 3.24Å; E205-R255 IonicContact OE1-CZ 3.03Å; E205-R255 IonicContact OE1-NE 2.63Å; E205-R255 PolarHBondContact OE1-NE 3.22Å; E205-R255 IonicContact OE1-NH2 3.67Å; E205-R255 PolarHBondContact OE1-NH2 3.07Å; E205-R255 IonicContact OE2-CZ 3.73Å; E205-R255 IonicContact OE2-NE 2.95Å; E205-R255 IonicContact OE2-NH2 3.31Å; E205-R255 PolarHBondContact OE2-NH2 3.29Å
206Y89.7Confident77.6Confident9 Ų944.6 Ų44.64%0.03525%0.253CS..G310 helixtrans-116.62.5-177.4-48.7-86.9000112.6K167 P168 T203 P204 C242 I243 Q246K167-Y206 HydrophobicContact CB-CD1 4.23Å; K167-Y206 HydrophobicContact CB-CD2 3.6Å; K167-Y206 HydrophobicContact CB-CE1 4.18Å; K167-Y206 HydrophobicContact CB-CE2 3.51Å; K167-Y206 HydrophobicContact CB-CG 3.96Å; K167-Y206 HydrophobicContact CD-CD2 4.32Å; K167-Y206 HydrophobicContact CD-CE2 4.27Å; P168-Y206 VanDerWaalsContact CD-OH 3.28Å; P168-Y206 WeakPolarHBondContact CD-OH 3.33Å; T203-Y206 HydrophobicContact CG2-CD2 3.94Å; T203-Y206 HydrophobicContact CG2-CE2 3.93Å; T203-Y206 PolarHBondContact O-N 2.65Å; P204-Y206 VanDerWaalsContact C-N 3.34Å; P204-Y206 PolarHBondContact O-N 3.09Å; Y206-C242 HydrophobicContact CD1-CB 3.77Å; Y206-C242 HydrophobicContact CE1-CB 4.43Å; Y206-I243 HydrophobicContact CD1-CG1 4.38Å; Y206-I243 HydrophobicContact CE1-CG1 4.31Å; Y206-Q246 PolarHBondContact OH-NE2 3.46Å; Y206-Q246 VanDerWaalsContact OH-NE2 3.16Å; Y206-Q246 PolarHBondContact OH-OE1 3.14Å
207V90Very high76.2Confident5 Ų546.1 Ų46.13%0.0326%0.255CS..  trans-71.9133.3-176.6-173.10000110.3F200 T203 M211 L212 W238F200-V207 HydrophobicContact CE1-CG1 4.37Å; F200-V207 HydrophobicContact CE1-CG2 3.88Å; F200-V207 HydrophobicContact CE2-CG2 4.34Å; F200-V207 HydrophobicContact CZ-CB 4.4Å; F200-V207 HydrophobicContact CZ-CG1 4.14Å; F200-V207 HydrophobicContact CZ-CG2 3.36Å; T203-V207 WeakPolarHBondContact O-CG2 3.5Å; V207-M211 HydrophobicContact CG1-CB 3.81Å; V207-M211 HydrophobicContact CG1-CG 3.98Å; V207-M211 HydrophobicContact CG1-SD 3.9Å; V207-L212 HydrophobicContact CB-CD2 4.36Å; V207-L212 HydrophobicContact CG1-CD2 3.66Å; V207-L212 HydrophobicContact CG1-CG 3.84Å; V207-W238 PolarHBondContact O-NE1 2.94Å
208S91.3Very high74.6Confident1 Ų149.3 Ų49.31%0.00726%0.259CS..  trans-78.7152.3176.272.80000112.6E210 M211 L212 M235S208-E210 VanDerWaalsContact C-N 3.29Å; S208-E210 VanDerWaalsContact CB-CD 3.46Å; S208-E210 WeakPolarHBondContact CB-OE1 2.98Å; S208-E210 WeakPolarHBondContact CB-OE2 3.37Å; S208-E210 PolarHBondContact O-N 3.31Å; S208-E210 PolarHBondContact OG-OE1 3.08Å; S208-E210 PolarHBondContact OG-OE2 3.14Å; S208-M211 WeakPolarHBondContact O-CB 3.49Å; S208-M211 PolarHBondContact O-N 2.8Å; S208-L212 PolarHBondContact O-N 2.95Å; S208-M235 WeakPolarHBondContact OG-CG 3.35Å
209P90.9Very high73Confident7 Ų753.7 Ų53.75%0.04529%0.29CS..Hα-helixtrans-56.4-40.4-179.7-24.632.5000113.4M211 L212 S213 W238 I269 L270 I294P209-M211 VanDerWaalsContact C-N 3.26Å; P209-M211 PolarHBondContact O-N 2.89Å; P209-L212 PolarHBondContact O-N 2.88Å; P209-S213 PolarHBondContact O-N 3.48Å; P209-W238 HydrophobicContact CG-CE3 4.22Å; P209-W238 HydrophobicContact CG-CH2 3.53Å; P209-W238 HydrophobicContact CG-CZ2 3.94Å; P209-W238 HydrophobicContact CG-CZ3 3.68Å; P209-I269 HydrophobicContact CB-CG2 4.28Å; P209-I269 HydrophobicContact CG-CG2 3.76Å; P209-L270 HydrophobicContact CB-CD2 4.47Å; P209-I294 HydrophobicContact CB-CD1 4.17Å; P209-I294 HydrophobicContact CB-CG2 4.29Å; P209-I294 HydrophobicContact CG-CD1 3.55Å
210E89.2Confident70.9Confident25 Ų2556.4 Ų56.412%0.11730%0.299CS..Hα-helixtrans-68.3-24.8178.367-81.2-176.700113.1S208 S213 R214 M235 P296 R299S208-E210 VanDerWaalsContact C-N 3.29Å; S208-E210 VanDerWaalsContact CB-CD 3.46Å; S208-E210 WeakPolarHBondContact CB-OE1 2.98Å; S208-E210 WeakPolarHBondContact CB-OE2 3.37Å; S208-E210 PolarHBondContact O-N 3.31Å; S208-E210 PolarHBondContact OG-OE1 3.08Å; S208-E210 PolarHBondContact OG-OE2 3.14Å; E210-S213 WeakPolarHBondContact CA-OG 3.44Å; E210-S213 PolarHBondContact O-OG 3.21Å; E210-S213 VanDerWaalsContact O-OG 3.1Å; E210-R214 VanDerWaalsContact O-CG 3.28Å; E210-R214 WeakPolarHBondContact O-CG 3.45Å; E210-R214 PolarHBondContact O-N 3.47Å; E210-R214 VanDerWaalsContact O-N 3.17Å; E210-M235 HydrophobicContact CG-CE 3.82Å; E210-M235 HydrophobicContact CG-CG 4.1Å; E210-M235 WeakPolarHBondContact OE1-CG 3.23Å; E210-P296 HydrophobicContact CB-CG 4.02Å; E210-P296 HydrophobicContact CG-CG 3.93Å; E210-R299 IonicContact OE1-CZ 2.66Å; E210-R299 IonicContact OE1-NH1 2.73Å; E210-R299 PolarHBondContact OE1-NH1 2.82Å; E210-R299 IonicContact OE1-NH2 2.74Å; E210-R299 PolarHBondContact OE1-NH2 2.97Å; E210-R299 IonicContact OE2-CZ 2.79Å; E210-R299 IonicContact OE2-NH1 2.65Å; E210-R299 IonicContact OE2-NH2 3.68Å; E210-R299 PolarHBondContact OE2-NH2 3.08Å
211M85.5Confident69.3Low11 Ų1159.8 Ų59.85%0.05433%0.328CS..Hα-helixtrans-73.9-41.3173-170.6174.8-64.600111R164 F200 V207 S208 P209 S213 R214 I215 M235R164-M211 HydrophobicContact CB-CE 3.75Å; R164-M211 HydrophobicContact CG-CE 3.94Å; F200-M211 HydrophobicContact CD2-CG 4.21Å; F200-M211 HydrophobicContact CD2-SD 3.21Å; F200-M211 WeakPolarHBondContact CD2-SD 3.47Å; F200-M211 HydrophobicContact CE1-SD 4.5Å; F200-M211 HydrophobicContact CE2-CE 4.47Å; F200-M211 HydrophobicContact CE2-CG 4.47Å; F200-M211 HydrophobicContact CE2-SD 3.15Å; F200-M211 WeakPolarHBondContact CE2-SD 3.27Å; F200-M211 HydrophobicContact CG-CG 4.41Å; F200-M211 HydrophobicContact CG-SD 3.96Å; F200-M211 HydrophobicContact CZ-SD 3.85Å; V207-M211 HydrophobicContact CG1-CB 3.81Å; V207-M211 HydrophobicContact CG1-CG 3.98Å; V207-M211 HydrophobicContact CG1-SD 3.9Å; S208-M211 WeakPolarHBondContact O-CB 3.49Å; S208-M211 PolarHBondContact O-N 2.8Å; P209-M211 VanDerWaalsContact C-N 3.26Å; P209-M211 PolarHBondContact O-N 2.89Å; M211-S213 PolarHBondContact O-N 2.75Å; M211-R214 PolarHBondContact O-N 3.13Å; M211-I215 HydrophobicContact CG-CD1 4.47Å; M211-I215 VanDerWaalsContact O-CG1 3.3Å; M211-I215 WeakPolarHBondContact O-CG1 3.43Å; M211-I215 PolarHBondContact O-N 2.91Å; M211-I215 VanDerWaalsContact O-N 3.09Å; M211-M235 HydrophobicContact CE-CB 4.15Å; M211-M235 HydrophobicContact CE-CG 4.15Å; M211-M235 HydrophobicContact CE-SD 3.39Å; M211-M235 WeakPolarHBondContact CE-SD 3.2Å
212L83Confident67.8Low22 Ų2260.9 Ų60.912%0.11534%0.335CS..Hα-helixtrans-61.1-43173.8-62.9178000112V207 S208 P209 R214 I215 S216 F266 I269 L270V207-L212 HydrophobicContact CB-CD2 4.36Å; V207-L212 HydrophobicContact CG1-CD2 3.66Å; V207-L212 HydrophobicContact CG1-CG 3.84Å; S208-L212 PolarHBondContact O-N 2.95Å; P209-L212 PolarHBondContact O-N 2.88Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 2.83Å; L212-I215 PolarHBondContact O-N 2.98Å; L212-S216 PolarHBondContact O-N 2.75Å; L212-F266 HydrophobicContact CD1-CB 4.05Å; L212-F266 HydrophobicContact CD1-CD1 3.78Å; L212-F266 HydrophobicContact CD1-CG 4.15Å; L212-F266 HydrophobicContact CD2-CD1 3.51Å; L212-F266 HydrophobicContact CD2-CE1 3.54Å; L212-F266 HydrophobicContact CD2-CG 4.07Å; L212-F266 HydrophobicContact CD2-CZ 4.14Å; L212-F266 HydrophobicContact CG-CD1 4.31Å; L212-I269 HydrophobicContact CD1-CB 4.17Å; L212-I269 HydrophobicContact CD1-CD1 4.38Å; L212-I269 HydrophobicContact CD1-CG2 3.78Å; L212-L270 HydrophobicContact CD1-CD2 4.35Å; L212-L270 HydrophobicContact CD1-CG 4.3Å
213S78.3Confident67.2Low46 Ų4665.7 Ų65.732%0.32236%0.363SS..Hα-helixtrans-69.7-27.6178.972.60000113.3P209 E210 M211 S216 R217P209-S213 PolarHBondContact O-N 3.48Å; E210-S213 WeakPolarHBondContact CA-OG 3.44Å; E210-S213 PolarHBondContact O-OG 3.21Å; E210-S213 VanDerWaalsContact O-OG 3.1Å; M211-S213 PolarHBondContact O-N 2.75Å; S213-S216 PolarHBondContact O-OG 3.18Å; S213-R217 WeakPolarHBondContact O-CG 3.14Å; S213-R217 PolarHBondContact O-N 3.16Å
214R69.6Low65.3Low118 Ų11871.2 Ų71.245%0.44539%0.391SS..Hα-helixtrans-72.7-35.7171.6-76.1179.973.3169.34.4112.4E210 M211 L212 S216 R217 Q218E210-R214 VanDerWaalsContact O-CG 3.28Å; E210-R214 WeakPolarHBondContact O-CG 3.45Å; E210-R214 PolarHBondContact O-N 3.47Å; E210-R214 VanDerWaalsContact O-N 3.17Å; M211-R214 PolarHBondContact O-N 3.13Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 2.83Å; R214-S216 VanDerWaalsContact C-N 3.31Å; R214-S216 PolarHBondContact O-N 3.01Å; R214-R217 PolarHBondContact O-N 3.21Å; R214-Q218 PolarHBondContact O-N 3.22Å
215I61.4Low63.4Low73 Ų7373.2 Ų73.237%0.37441%0.405SS..Hα-helixtrans-62.3-41176.1-67.3161.7000110.2F200 M211 L212 R217 Q218F200-I215 HydrophobicContact CB-CD1 4.1Å; F200-I215 HydrophobicContact CB-CG1 4.33Å; F200-I215 HydrophobicContact CD1-CD1 3.43Å; F200-I215 VanDerWaalsContact CD1-CD1 3.43Å; F200-I215 HydrophobicContact CD1-CG1 4.49Å; F200-I215 HydrophobicContact CE1-CD1 4.16Å; F200-I215 HydrophobicContact CG-CD1 3.97Å; M211-I215 HydrophobicContact CG-CD1 4.47Å; M211-I215 VanDerWaalsContact O-CG1 3.3Å; M211-I215 WeakPolarHBondContact O-CG1 3.43Å; M211-I215 PolarHBondContact O-N 2.91Å; M211-I215 VanDerWaalsContact O-N 3.09Å; L212-I215 PolarHBondContact O-N 2.98Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 2.78Å; I215-Q218 PolarHBondContact O-N 2.89Å
216S56Low61.3Low89 Ų8980 Ų8062%0.62244%0.437SS*.Hα-helixtrans-69.7-23.9178.362.60000114.1L212 S213 R214L212-S216 PolarHBondContact O-N 2.75Å; S213-S216 PolarHBondContact O-OG 3.18Å; R214-S216 VanDerWaalsContact C-N 3.31Å; R214-S216 PolarHBondContact O-N 3.01Å
217R51.7Low59.3Low186 Ų18683.9 Ų83.970%0.70247%0.465SS*.Hα-helixtrans-91-9.1179.2-68.6-179.3-174-176.53.4114.9S213 R214 I215 S219 D220S213-R217 WeakPolarHBondContact O-CG 3.14Å; S213-R217 PolarHBondContact O-N 3.16Å; R214-R217 PolarHBondContact O-N 3.21Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 2.78Å; R217-S219 PolarHBondContact O-N 2.79Å; R217-D220 PolarHBondContact O-N 3.41Å
218Q48.8Very low57.5Low130 Ų13086.5 Ų86.561%0.60748%0.484SS*.THydrogen-bonded Turntrans-66.60.8-178.8-86.4-178.826.700114.9R214 I215 D220R214-Q218 PolarHBondContact O-N 3.22Å; I215-Q218 PolarHBondContact O-N 2.89Å; Q218-D220 VanDerWaalsContact C-N 3.26Å
219S45.2Very low56Low97 Ų9790.7 Ų90.768%0.67850%0.504SS*.THydrogen-bonded Turntrans-68-25.9163.5560000112.9R217R217-S219 PolarHBondContact O-N 2.79Å
220D34.7Very low55.2Low130 Ų13095.7 Ų95.770%0.69553%0.53SS*.SBendtrans-117.597.5-175.6-65.6-35.4000111R217 Q218 T222R217-D220 PolarHBondContact O-N 3.41Å; Q218-D220 VanDerWaalsContact C-N 3.26Å; D220-T222 PolarHBondContact O-N 3.28Å; D220-T222 VanDerWaalsContact O-N 3.11Å
221S33.2Very low55.1Low114 Ų11497 Ų9780%0.79754%0.537SS*.  trans-74.294177.750.80000111.8
222T32.1Very low55.4Low127 Ų12796.8 Ų96.878%0.77954%0.537SS*.  trans-128.9103.1154.6510000109.8D220 N224D220-T222 PolarHBondContact O-N 3.28Å; D220-T222 VanDerWaalsContact O-N 3.11Å; T222-N224 PolarHBondContact O-N 2.7Å
223P45.4Very low55.9Low117 Ų11797.3 Ų97.376%0.7654%0.537SS*.  trans-87.981.1177.932.9-27.6000108.5
224N32.2Very low56.8Low153 Ų15395.1 Ų95.182%0.81852%0.522SS*.  trans-160.752.2176-88.3-22.5000113.5T222T222-N224 PolarHBondContact O-N 2.7Å
225S39.4Very low58Low62 Ų6290 Ų9043%0.43450%0.503SS..  trans-11788.4157.7175.90000107.6S227 S228S225-S227 PolarHBondContact O-N 3.15Å; S225-S227 PolarHBondContact OG-OG 3.27Å; S225-S228 PolarHBondContact O-N 3.28Å; S225-S228 PolarHBondContact O-OG 2.95Å
226E40.3Very low59.7Low159 Ų15986.6 Ų86.674%0.74349%0.486SS*.Hα-helixtrans-54.5-36.3178.4-72.1-177153.800111.5S228 Q229E226-S228 PolarHBondContact O-N 2.8Å; E226-S228 VanDerWaalsContact O-N 3.14Å; E226-Q229 PolarHBondContact O-N 2.98Å
227S46.7Very low61.7Low89 Ų8982.4 Ų82.462%0.62246%0.456SS*.Hα-helixtrans-63.7-20.4177.457.80000114.8S225S225-S227 PolarHBondContact O-N 3.15Å; S225-S227 PolarHBondContact OG-OG 3.27Å
228S53.1Low63.9Low61 Ų6173.5 Ų73.543%0.42742%0.423SS..Hα-helixtrans-86.6-16.6179.369.10000113.7S225 E226 T232S225-S228 PolarHBondContact O-N 3.28Å; S225-S228 PolarHBondContact O-OG 2.95Å; E226-S228 PolarHBondContact O-N 2.8Å; E226-S228 VanDerWaalsContact O-N 3.14Å; S228-T232 PolarHBondContact O-OG1 3.07Å
229Q59.1Low66.2Low89 Ų8967.5 Ų67.542%0.41640%0.395SS..Hα-helixtrans-73.1-37.7177-74.9-178.6-27.300111.4N191 E226 L231 T232N191-Q229 PolarHBondContact OD1-OE1 2.77Å; E226-Q229 PolarHBondContact O-N 2.98Å; Q229-L231 PolarHBondContact O-N 3.11Å; Q229-L231 VanDerWaalsContact O-N 3.14Å; Q229-T232 WeakPolarHBondContact O-CB 3.44Å; Q229-T232 PolarHBondContact O-N 2.8Å; Q229-T232 VanDerWaalsContact O-N 3.09Å; Q229-T232 PolarHBondContact O-OG1 2.76Å; Q229-T232 VanDerWaalsContact O-OG1 3.1Å
230D74.3Confident68.8Low112 Ų11262.9 Ų62.960%0.59936%0.363SS*.THydrogen-bonded Turntrans-61.4-25.2-176.4-68.2-19.9000114Y233D230-Y233 VanDerWaalsContact O-CD1 3.22Å; D230-Y233 WeakPolarHBondContact O-CD1 3.34Å; D230-Y233 WeakPolarHBondContact O-CE1 3.29Å
231L88.1Confident71.8Confident52 Ų5256.7 Ų56.727%0.27233%0.33SS..THydrogen-bonded Turntrans-99.41.3-179.3-59.1-176.3000113.7Q229 Y233 L234 P296 P303Q229-L231 PolarHBondContact O-N 3.11Å; Q229-L231 VanDerWaalsContact O-N 3.14Å; L231-Y233 PolarHBondContact O-N 2.7Å; L231-L234 HydrophobicContact CB-CD1 4.03Å; L231-L234 HydrophobicContact CD2-CD1 3.88Å; L231-L234 HydrophobicContact CG-CD1 4.43Å; L231-L234 VanDerWaalsContact O-CB 3.29Å; L231-L234 WeakPolarHBondContact O-CB 3.45Å; L231-L234 WeakPolarHBondContact O-CG 3.5Å; L231-L234 PolarHBondContact O-N 3.03Å; L231-L234 VanDerWaalsContact O-N 3.1Å; L231-P296 HydrophobicContact CD1-CB 4.47Å; L231-P303 HydrophobicContact CD2-CG 4.31Å
232T90.7Very high74.9Confident7 Ų751.3 Ų51.34%0.04329%0.292CS..THydrogen-bonded Turntrans-62.5-32.2-173.2-60.70000112.3V162 V188 L190 S228 Q229 L234 M235V162-T232 HydrophobicContact CB-CG2 4.47Å; V162-T232 HydrophobicContact CG1-CG2 4.37Å; V162-T232 HydrophobicContact CG2-CG2 4.12Å; V188-T232 HydrophobicContact CG2-CG2 4.43Å; L190-T232 HydrophobicContact CD2-CG2 4.09Å; S228-T232 PolarHBondContact O-OG1 3.07Å; Q229-T232 WeakPolarHBondContact O-CB 3.44Å; Q229-T232 PolarHBondContact O-N 2.8Å; Q229-T232 VanDerWaalsContact O-N 3.09Å; Q229-T232 PolarHBondContact O-OG1 2.76Å; Q229-T232 VanDerWaalsContact O-OG1 3.1Å; T232-L234 PolarHBondContact O-N 2.87Å; T232-M235 HydrophobicContact CG2-CE 4.09Å; T232-M235 HydrophobicContact CG2-SD 3.89Å; T232-M235 WeakPolarHBondContact O-CB 3.35Å; T232-M235 WeakPolarHBondContact O-CG 3.3Å; T232-M235 PolarHBondContact O-N 3.23Å
233Y94.2Very high78Confident33 Ų3345.3 Ų45.313%0.12926%0.255CS..THydrogen-bonded Turntrans-63.1-23.3178.573.9-91000113.5H157 D230 L231 M235 D236 F237 G301H157-Y233 AromaticContact CE1-CD2 3.88Å; H157-Y233 PolarHBondContact CE1-O 2.89Å; H157-Y233 AromaticContact ND1-CD2 3.53Å; D230-Y233 VanDerWaalsContact O-CD1 3.22Å; D230-Y233 WeakPolarHBondContact O-CD1 3.34Å; D230-Y233 WeakPolarHBondContact O-CE1 3.29Å; L231-Y233 PolarHBondContact O-N 2.7Å; Y233-M235 PolarHBondContact O-N 2.81Å; Y233-M235 VanDerWaalsContact O-N 3.15Å; Y233-D236 WeakPolarHBondContact O-CB 3.38Å; Y233-D236 PolarHBondContact O-N 2.82Å; Y233-F237 HydrophobicContact CD2-CD2 4.45Å; Y233-F237 HydrophobicContact CD2-CE2 4.04Å; Y233-F237 HydrophobicContact CE2-CD2 4.31Å; Y233-F237 AromaticContact CE2-CE2 3.77Å; Y233-F237 HydrophobicContact CE2-CE2 3.77Å; Y233-G301 PolarHBondContact OH-O 3.31Å
234L96.2Very high80.6Confident0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-65.2-17.7178.4-60.4178.2000112.9L231 T232 D236 F237 W238 P296 R299L231-L234 HydrophobicContact CB-CD1 4.03Å; L231-L234 HydrophobicContact CD2-CD1 3.88Å; L231-L234 HydrophobicContact CG-CD1 4.43Å; L231-L234 VanDerWaalsContact O-CB 3.29Å; L231-L234 WeakPolarHBondContact O-CB 3.45Å; L231-L234 WeakPolarHBondContact O-CG 3.5Å; L231-L234 PolarHBondContact O-N 3.03Å; L231-L234 VanDerWaalsContact O-N 3.1Å; T232-L234 PolarHBondContact O-N 2.87Å; L234-D236 PolarHBondContact O-N 3.16Å; L234-F237 HydrophobicContact CD2-CD2 3.66Å; L234-F237 HydrophobicContact CD2-CE2 4.15Å; L234-F237 PolarHBondContact O-N 2.91Å; L234-F237 VanDerWaalsContact O-N 3.16Å; L234-W238 PolarHBondContact O-N 3.28Å; L234-W238 VanDerWaalsContact O-N 3.12Å; L234-P296 HydrophobicContact CD1-CB 3.94Å; L234-P296 WeakPolarHBondContact CD1-O 3.2Å; L234-R299 VanDerWaalsContact C-NH1 3.31Å; L234-R299 PolarHBondContact O-NH1 2.71Å
235M94.9Very high83.7Confident11 Ų1133.5 Ų33.55%0.05418%0.184CC..Hα-helixtrans-57.6-38.2170.8-63.3175.317900111.2R164 S208 E210 M211 T232 Y233 F237 W238 A239R164-M235 HydrophobicContact CG-SD 4.43Å; S208-M235 WeakPolarHBondContact OG-CG 3.35Å; E210-M235 HydrophobicContact CG-CE 3.82Å; E210-M235 HydrophobicContact CG-CG 4.1Å; E210-M235 WeakPolarHBondContact OE1-CG 3.23Å; M211-M235 HydrophobicContact CE-CB 4.15Å; M211-M235 HydrophobicContact CE-CG 4.15Å; M211-M235 HydrophobicContact CE-SD 3.39Å; M211-M235 WeakPolarHBondContact CE-SD 3.2Å; T232-M235 HydrophobicContact CG2-CE 4.09Å; T232-M235 HydrophobicContact CG2-SD 3.89Å; T232-M235 WeakPolarHBondContact O-CB 3.35Å; T232-M235 WeakPolarHBondContact O-CG 3.3Å; T232-M235 PolarHBondContact O-N 3.23Å; Y233-M235 PolarHBondContact O-N 2.81Å; Y233-M235 VanDerWaalsContact O-N 3.15Å; M235-F237 VanDerWaalsContact C-N 3.34Å; M235-W238 WeakPolarHBondContact O-CB 3.33Å; M235-W238 PolarHBondContact O-N 3.34Å; M235-A239 PolarHBondContact O-N 2.79Å
236D96.9Very high86.2Confident1 Ų130.7 Ų30.71%0.00516%0.164CC..Hα-helixtrans-70.6-32.8178.5-65.9-20.2000111.2L153 H157 V162 H163 R164 Y233 L234 A239 F240L153-D236 HydrophobicContact CD1-CB 4.32Å; L153-D236 HydrophobicContact CD2-CB 3.87Å; H157-D236 IonicContact CD2-OD2 2.79Å; H157-D236 IonicContact CE1-OD2 2.72Å; H157-D236 IonicContact NE2-OD2 2.79Å; H157-D236 PolarHBondContact NE2-OD2 2.81Å; V162-D236 WeakPolarHBondContact CG1-OD2 3.37Å; H163-D236 PolarHBondContact N-OD1 2.98Å; H163-D236 PolarHBondContact N-OD2 2.82Å; R164-D236 PolarHBondContact N-OD1 2.83Å; Y233-D236 WeakPolarHBondContact O-CB 3.38Å; Y233-D236 PolarHBondContact O-N 2.82Å; L234-D236 PolarHBondContact O-N 3.16Å; D236-A239 PolarHBondContact O-N 2.95Å; D236-F240 VanDerWaalsContact O-CB 3.26Å; D236-F240 WeakPolarHBondContact O-CB 2.82Å; D236-F240 PolarHBondContact O-N 2.72Å
237F98.2Very high88.8Confident0 Ų023.1 Ų23.10%013%0.129CC..Hα-helixtrans-70.1-31175.1-71.2-23.3000113.6L150 L153 Y233 L234 M235 G241 L291 V311L150-F237 HydrophobicContact CD1-CE1 3.76Å; L150-F237 HydrophobicContact CD1-CZ 4.46Å; L153-F237 HydrophobicContact CD1-CD1 4.26Å; L153-F237 HydrophobicContact CD1-CE1 4.37Å; Y233-F237 HydrophobicContact CD2-CD2 4.45Å; Y233-F237 HydrophobicContact CD2-CE2 4.04Å; Y233-F237 HydrophobicContact CE2-CD2 4.31Å; Y233-F237 AromaticContact CE2-CE2 3.77Å; Y233-F237 HydrophobicContact CE2-CE2 3.77Å; L234-F237 HydrophobicContact CD2-CD2 3.66Å; L234-F237 HydrophobicContact CD2-CE2 4.15Å; L234-F237 PolarHBondContact O-N 2.91Å; L234-F237 VanDerWaalsContact O-N 3.16Å; M235-F237 VanDerWaalsContact C-N 3.34Å; F237-G241 PolarHBondContact O-N 3.07Å; F237-L291 HydrophobicContact CB-CD2 4.05Å; F237-V311 HydrophobicContact CD2-CG2 4.21Å; F237-V311 HydrophobicContact CE1-CG2 4.44Å; F237-V311 HydrophobicContact CE2-CG2 3.99Å; F237-V311 HydrophobicContact CZ-CG2 4.12Å
238W98Very high91Very high0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-62.5-51.7168.3174.3-83.1000111V207 P209 L234 M235 F240 G241 C242 F254 I269 L272 L292 I294V207-W238 PolarHBondContact O-NE1 2.94Å; P209-W238 HydrophobicContact CG-CE3 4.22Å; P209-W238 HydrophobicContact CG-CH2 3.53Å; P209-W238 HydrophobicContact CG-CZ2 3.94Å; P209-W238 HydrophobicContact CG-CZ3 3.68Å; L234-W238 PolarHBondContact O-N 3.28Å; L234-W238 VanDerWaalsContact O-N 3.12Å; M235-W238 WeakPolarHBondContact O-CB 3.33Å; M235-W238 PolarHBondContact O-N 3.34Å; W238-F240 VanDerWaalsContact C-N 3.25Å; W238-F240 PolarHBondContact O-N 2.96Å; W238-G241 PolarHBondContact O-N 3.34Å; W238-G241 VanDerWaalsContact O-N 3.09Å; W238-C242 PolarHBondContact O-N 3.02Å; W238-F254 AromaticContact CE2-CE2 3.86Å; W238-F254 HydrophobicContact CH2-CE2 4.1Å; W238-F254 AromaticContact CH2-CZ 3.71Å; W238-F254 HydrophobicContact CH2-CZ 3.71Å; W238-F254 HydrophobicContact CZ2-CD2 4.28Å; W238-F254 HydrophobicContact CZ2-CE1 4.42Å; W238-F254 AromaticContact CZ2-CE2 3.28Å; W238-F254 HydrophobicContact CZ2-CE2 3.28Å; W238-F254 AromaticContact CZ2-CZ 3.37Å; W238-F254 HydrophobicContact CZ2-CZ 3.37Å; W238-I269 HydrophobicContact CH2-CG2 4.42Å; W238-I269 HydrophobicContact CZ2-CG1 4.48Å; W238-I269 HydrophobicContact CZ2-CG2 3.86Å; W238-L272 HydrophobicContact CH2-CD1 3.69Å; W238-L272 HydrophobicContact CZ3-CD1 4.05Å; W238-L292 HydrophobicContact CD2-CD2 3.91Å; W238-L292 HydrophobicContact CE3-CD2 4.09Å; W238-L292 HydrophobicContact CG-CD2 4.32Å; W238-L292 HydrophobicContact CZ2-CD2 4.49Å; W238-L292 HydrophobicContact CZ3-CB 4.33Å; W238-L292 HydrophobicContact CZ3-CD2 4.46Å; W238-L292 WeakPolarHBondContact O-CD2 3.44Å; W238-I294 HydrophobicContact CH2-CD1 4.16Å; W238-I294 HydrophobicContact CZ3-CD1 4.42Å
239A97.7Very high92.6Very high4 Ų417 Ų173%0.0339%0.086CC..Hα-helixtrans-60.2-38178.400000111.7L166 M235 D236 C242 I243L166-A239 HydrophobicContact CB-CB 3.94Å; L166-A239 HydrophobicContact CD2-CB 4.43Å; M235-A239 PolarHBondContact O-N 2.79Å; D236-A239 PolarHBondContact O-N 2.95Å; A239-C242 WeakPolarHBondContact O-CB 3.14Å; A239-C242 PolarHBondContact O-N 2.79Å; A239-I243 WeakPolarHBondContact O-CG1 3.36Å; A239-I243 PolarHBondContact O-N 3.2Å
240F98.6Very high93.7Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-59.9-44.7172.9-177.6-122.1000112.5A146 I149 L150 L153 L166 D236 W238 C242 I243 I244 L291 V311 F317A146-F240 HydrophobicContact CB-CE2 3.92Å; A146-F240 HydrophobicContact CB-CZ 3.92Å; A146-F240 VanDerWaalsContact O-CE2 3.25Å; A146-F240 WeakPolarHBondContact O-CE2 3.45Å; A146-F240 VanDerWaalsContact O-CZ 3.29Å; A146-F240 WeakPolarHBondContact O-CZ 3.4Å; I149-F240 HydrophobicContact CB-CD2 4.39Å; I149-F240 HydrophobicContact CB-CE2 4.04Å; I149-F240 HydrophobicContact CG2-CD2 3.7Å; I149-F240 HydrophobicContact CG2-CE2 3.85Å; L150-F240 HydrophobicContact CB-CE1 4.43Å; L150-F240 HydrophobicContact CB-CE2 4.39Å; L150-F240 HydrophobicContact CB-CZ 3.87Å; L150-F240 HydrophobicContact CD1-CE1 4.26Å; L153-F240 HydrophobicContact CD1-CB 4.23Å; L153-F240 HydrophobicContact CD1-CD2 4.43Å; L153-F240 HydrophobicContact CD1-CG 4.37Å; L166-F240 HydrophobicContact CD2-CB 4.18Å; D236-F240 VanDerWaalsContact O-CB 3.26Å; D236-F240 WeakPolarHBondContact O-CB 2.82Å; D236-F240 PolarHBondContact O-N 2.72Å; W238-F240 VanDerWaalsContact C-N 3.25Å; W238-F240 PolarHBondContact O-N 2.96Å; F240-C242 VanDerWaalsContact C-N 3.34Å; F240-C242 PolarHBondContact O-N 3.45Å; F240-I243 PolarHBondContact O-N 3.07Å; F240-I244 HydrophobicContact CD1-CD1 4.01Å; F240-I244 HydrophobicContact CD2-CD1 4.46Å; F240-I244 HydrophobicContact CE1-CD1 3.61Å; F240-I244 HydrophobicContact CE2-CD1 4.1Å; F240-I244 HydrophobicContact CE2-CG1 4.36Å; F240-I244 HydrophobicContact CG-CD1 4.43Å; F240-I244 HydrophobicContact CZ-CD1 3.67Å; F240-I244 HydrophobicContact CZ-CG1 4.39Å; F240-I244 WeakPolarHBondContact O-CG1 3.35Å; F240-I244 PolarHBondContact O-N 3.21Å; F240-L291 HydrophobicContact CD1-CD1 3.84Å; F240-L291 HydrophobicContact CE1-CD1 4.31Å; F240-V311 HydrophobicContact CD1-CG1 4.43Å; F240-V311 HydrophobicContact CE1-CG1 3.97Å; F240-F317 HydrophobicContact CE1-CZ 4.18Å; F240-F317 AromaticContact CZ-CZ 3.88Å; F240-F317 HydrophobicContact CZ-CZ 3.88Å
241G98.5Very high94.2Very high0 Ų09.8 Ų9.80%06%0.057CC..Hα-helixtrans-59.6-42.4172.600000112.7F237 W238 I243 I244 Y245F237-G241 PolarHBondContact O-N 3.07Å; W238-G241 PolarHBondContact O-N 3.34Å; W238-G241 VanDerWaalsContact O-N 3.09Å; G241-I243 VanDerWaalsContact C-N 3.35Å; G241-I243 PolarHBondContact O-N 3.09Å; G241-I244 PolarHBondContact O-N 2.79Å; G241-Y245 WeakPolarHBondContact O-CB 3.48Å; G241-Y245 PolarHBondContact O-N 2.88Å
242C98.1Very high94.3Very high0 Ų07.5 Ų7.50%05%0.045CC..Hα-helixtrans-60.6-42.4173.9-70.70000112.3Y206 W238 A239 F240 Q246 P253Y206-C242 HydrophobicContact CD1-CB 3.77Å; Y206-C242 HydrophobicContact CE1-CB 4.43Å; W238-C242 PolarHBondContact O-N 3.02Å; A239-C242 WeakPolarHBondContact O-CB 3.14Å; A239-C242 PolarHBondContact O-N 2.79Å; F240-C242 VanDerWaalsContact C-N 3.34Å; F240-C242 PolarHBondContact O-N 3.45Å; C242-Q246 VanDerWaalsContact O-CB 3.22Å; C242-Q246 WeakPolarHBondContact O-CB 3.25Å; C242-Q246 PolarHBondContact O-N 3.37Å; C242-P253 HydrophobicContact CB-CG 4.14Å
243I98.3Very high94.4Very high1 Ų17.4 Ų7.41%0.0054%0.044CC..Hα-helixtrans-63.6-49.8177.5-70.6169.5000110.6I149 L166 P168 Y206 A239 F240 G241 Y245 Q246 L247I149-I243 HydrophobicContact CD1-CG2 4.28Å; L166-I243 HydrophobicContact CD2-CD1 3.86Å; L166-I243 HydrophobicContact CG-CD1 3.63Å; P168-I243 HydrophobicContact CG-CG1 4.24Å; Y206-I243 HydrophobicContact CD1-CG1 4.38Å; Y206-I243 HydrophobicContact CE1-CG1 4.31Å; A239-I243 WeakPolarHBondContact O-CG1 3.36Å; A239-I243 PolarHBondContact O-N 3.2Å; F240-I243 PolarHBondContact O-N 3.07Å; G241-I243 VanDerWaalsContact C-N 3.35Å; G241-I243 PolarHBondContact O-N 3.09Å; I243-Y245 VanDerWaalsContact C-N 3.31Å; I243-Y245 PolarHBondContact O-N 2.81Å; I243-Q246 PolarHBondContact O-N 3.17Å; I243-Q246 VanDerWaalsContact O-N 3.09Å; I243-L247 HydrophobicContact CG2-CD1 3.73Å; I243-L247 HydrophobicContact CG2-CG 3.99Å; I243-L247 VanDerWaalsContact O-CG 3.27Å; I243-L247 WeakPolarHBondContact O-CG 3.26Å; I243-L247 PolarHBondContact O-N 3.4Å
244I98.4Very high94.3Very high0 Ų05.9 Ų5.90%04%0.038CC..Hα-helixtrans-57.5-47.4179-67.5171.2000110.5T142 A146 F240 G241 Q246 L247 I248 L287 V288 L291 F316T142-I244 HydrophobicContact CG2-CG2 4.17Å; A146-I244 HydrophobicContact CB-CD1 4.13Å; A146-I244 HydrophobicContact CB-CG1 3.92Å; F240-I244 HydrophobicContact CD1-CD1 4.01Å; F240-I244 HydrophobicContact CD2-CD1 4.46Å; F240-I244 HydrophobicContact CE1-CD1 3.61Å; F240-I244 HydrophobicContact CE2-CD1 4.1Å; F240-I244 HydrophobicContact CE2-CG1 4.36Å; F240-I244 HydrophobicContact CG-CD1 4.43Å; F240-I244 HydrophobicContact CZ-CD1 3.67Å; F240-I244 HydrophobicContact CZ-CG1 4.39Å; F240-I244 WeakPolarHBondContact O-CG1 3.35Å; F240-I244 PolarHBondContact O-N 3.21Å; G241-I244 PolarHBondContact O-N 2.79Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 2.8Å; I244-L247 PolarHBondContact O-N 2.66Å; I244-I248 HydrophobicContact CG2-CD1 4.12Å; I244-I248 WeakPolarHBondContact O-CG1 3.22Å; I244-I248 PolarHBondContact O-N 2.86Å; I244-L287 HydrophobicContact CD1-CD2 3.7Å; I244-L287 HydrophobicContact CD1-CG 4.39Å; I244-V288 HydrophobicContact CB-CG2 4.19Å; I244-V288 HydrophobicContact CG2-CG2 3.83Å; I244-L291 HydrophobicContact CD1-CD1 4.29Å; I244-F316 HydrophobicContact CG2-CZ 4.44Å
245Y97Very high93.5Very high22 Ų2210.5 Ų10.59%0.0866%0.056CC..Hα-helixtrans-55.4-49.1175.2178.3-79.9000111.2G241 I243 I248 S249 S251 P253 Y274 T275 F276 F280 V288G241-Y245 WeakPolarHBondContact O-CB 3.48Å; G241-Y245 PolarHBondContact O-N 2.88Å; I243-Y245 VanDerWaalsContact C-N 3.31Å; I243-Y245 PolarHBondContact O-N 2.81Å; Y245-I248 PolarHBondContact O-N 3.29Å; Y245-S249 VanDerWaalsContact CD1-OG 3.28Å; Y245-S249 WeakPolarHBondContact CD1-OG 3.35Å; Y245-S249 WeakPolarHBondContact CE1-OG 3.36Å; Y245-S249 VanDerWaalsContact O-CB 3.28Å; Y245-S249 WeakPolarHBondContact O-CB 3.3Å; Y245-S249 PolarHBondContact O-N 2.89Å; Y245-S249 PolarHBondContact O-OG 2.84Å; Y245-S251 WeakPolarHBondContact CD1-O 3.19Å; Y245-S251 WeakPolarHBondContact CE1-O 3.5Å; Y245-P253 HydrophobicContact CD1-CB 3.75Å; Y245-P253 HydrophobicContact CD1-CG 4.1Å; Y245-P253 HydrophobicContact CD2-CB 4.16Å; Y245-P253 VanDerWaalsContact CE1-CA 3.41Å; Y245-P253 HydrophobicContact CE1-CB 3.9Å; Y245-P253 HydrophobicContact CE2-CB 4.27Å; Y245-P253 HydrophobicContact CG-CB 3.9Å; Y245-P253 HydrophobicContact CG-CG 4.23Å; Y245-Y274 HydrophobicContact CD2-CD2 4.5Å; Y245-Y274 HydrophobicContact CE2-CD2 4.15Å; Y245-T275 WeakPolarHBondContact CE2-O 3.33Å; Y245-T275 PolarHBondContact OH-O 3.09Å; Y245-F276 HydrophobicContact CD2-CD1 4.01Å; Y245-F276 AromaticContact CD2-CE1 3.7Å; Y245-F276 HydrophobicContact CD2-CE1 3.7Å; Y245-F276 HydrophobicContact CD2-CZ 4.47Å; Y245-F276 AromaticContact CE2-CD1 3.79Å; Y245-F276 HydrophobicContact CE2-CD1 3.79Å; Y245-F276 AromaticContact CE2-CE1 3.91Å; Y245-F276 HydrophobicContact CE2-CE1 3.91Å; Y245-F276 HydrophobicContact CE2-CG 4.46Å; Y245-F280 HydrophobicContact CD2-CE2 4.14Å; Y245-F280 HydrophobicContact CD2-CZ 4.28Å; Y245-F280 HydrophobicContact CE2-CE2 4.4Å; Y245-V288 HydrophobicContact CD2-CG1 4.2Å
246Q93.5Very high91.9Very high3 Ų315 Ų151%0.0148%0.075CC..Hα-helixtrans-68-39.1-176.1-178-172.510.300112.7L131 P168 Y206 C242 I243 I244 I248 G250 S251 P252L131-Q246 HydrophobicContact CD2-CG 3.54Å; P168-Q246 VanDerWaalsContact CG-OE1 3.27Å; Y206-Q246 PolarHBondContact OH-NE2 3.46Å; Y206-Q246 VanDerWaalsContact OH-NE2 3.16Å; Y206-Q246 PolarHBondContact OH-OE1 3.14Å; C242-Q246 VanDerWaalsContact O-CB 3.22Å; C242-Q246 WeakPolarHBondContact O-CB 3.25Å; C242-Q246 PolarHBondContact O-N 3.37Å; I243-Q246 PolarHBondContact O-N 3.17Å; I243-Q246 VanDerWaalsContact O-N 3.09Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 2.8Å; Q246-I248 VanDerWaalsContact C-N 3.28Å; Q246-I248 PolarHBondContact O-N 3.2Å; Q246-G250 WeakPolarHBondContact O-CA 3.32Å; Q246-G250 PolarHBondContact O-N 3.24Å; Q246-S251 WeakPolarHBondContact CA-O 3.12Å; Q246-P252 HydrophobicContact CG-CG 4.2Å
247L93.9Very high89.8Confident0 Ų019 Ų190%012%0.117CC..Hα-helixtrans-61.1-42.2177.3-66.6176.5000109.9L127 L131 S136 L137 T142 I243 I244L127-L247 HydrophobicContact CD2-CD1 4.35Å; L127-L247 HydrophobicContact CD2-CD2 4.02Å; L127-L247 HydrophobicContact CG-CD2 4.25Å; L131-L247 HydrophobicContact CB-CD2 4.46Å; L131-L247 HydrophobicContact CD1-CD2 4.23Å; L131-L247 HydrophobicContact CD2-CD2 4.2Å; S136-L247 CarbonylContact C-O 3.48Å; S136-L247 WeakPolarHBondContact CA-O 3.21Å; L137-L247 HydrophobicContact CD1-CD2 3.85Å; L137-L247 HydrophobicContact CG-CD2 4.45Å; L137-L247 PolarHBondContact N-O 2.74Å; T142-L247 HydrophobicContact CG2-CB 3.77Å; T142-L247 HydrophobicContact CG2-CD1 3.97Å; T142-L247 WeakPolarHBondContact OG1-CB 3.46Å; I243-L247 HydrophobicContact CG2-CD1 3.73Å; I243-L247 HydrophobicContact CG2-CG 3.99Å; I243-L247 VanDerWaalsContact O-CG 3.27Å; I243-L247 WeakPolarHBondContact O-CG 3.26Å; I243-L247 PolarHBondContact O-N 3.4Å; I244-L247 PolarHBondContact O-N 2.66Å
248I92.4Very high87.6Confident1 Ų121.6 Ų21.61%0.00514%0.144CC..Hα-helixtrans-77.5-40.8-178.1-65.4173.1000112.7S136 T142 I244 Y245 Q246 F280 A284 N336S136-I248 WeakPolarHBondContact CB-O 3.33Å; T142-I248 HydrophobicContact CG2-CD1 4.07Å; T142-I248 HydrophobicContact CG2-CG1 3.83Å; I244-I248 HydrophobicContact CG2-CD1 4.12Å; I244-I248 WeakPolarHBondContact O-CG1 3.22Å; I244-I248 PolarHBondContact O-N 2.86Å; Y245-I248 PolarHBondContact O-N 3.29Å; Q246-I248 VanDerWaalsContact C-N 3.28Å; Q246-I248 PolarHBondContact O-N 3.2Å; I248-F280 HydrophobicContact CB-CD2 4.46Å; I248-F280 HydrophobicContact CB-CE2 3.69Å; I248-F280 HydrophobicContact CB-CZ 3.78Å; I248-F280 HydrophobicContact CD1-CE1 4.21Å; I248-F280 HydrophobicContact CD1-CZ 3.97Å; I248-F280 HydrophobicContact CG1-CZ 4.46Å; I248-F280 HydrophobicContact CG2-CD1 4.37Å; I248-F280 HydrophobicContact CG2-CD2 3.69Å; I248-F280 HydrophobicContact CG2-CE1 4.13Å; I248-F280 HydrophobicContact CG2-CE2 3.4Å; I248-F280 HydrophobicContact CG2-CG 4.18Å; I248-F280 HydrophobicContact CG2-CZ 3.64Å; I248-A284 HydrophobicContact CD1-CB 3.35Å; I248-N336 WeakPolarHBondContact CG2-ND2 3.42Å; I248-N336 PolarHBondContact O-ND2 3.35Å; I248-N336 VanDerWaalsContact O-ND2 3.15Å
249S86.7Confident85.3Confident22 Ų2227.5 Ų27.515%0.15418%0.182CC..Hα-helixtrans-92.5-20.6-174.165.90000114.2Y245 S251 L410Y245-S249 VanDerWaalsContact CD1-OG 3.28Å; Y245-S249 WeakPolarHBondContact CD1-OG 3.35Å; Y245-S249 WeakPolarHBondContact CE1-OG 3.36Å; Y245-S249 VanDerWaalsContact O-CB 3.28Å; Y245-S249 WeakPolarHBondContact O-CB 3.3Å; Y245-S249 PolarHBondContact O-N 2.89Å; Y245-S249 PolarHBondContact O-OG 2.84Å; S249-S251 PolarHBondContact OG-N 3.5Å; S249-S251 PolarHBondContact OG-O 3.02Å; S249-L410 WeakPolarHBondContact O-CD2 3.48Å
250G82.3Confident83.3Confident14 Ų1430.4 Ų30.414%0.14420%0.199CC..SBendtrans814.1-174.900000116.6T135 Q246T135-G250 WeakPolarHBondContact O-CA 3.26Å; Q246-G250 WeakPolarHBondContact O-CA 3.32Å; Q246-G250 PolarHBondContact O-N 3.24Å
251S85.8Confident81.9Confident35 Ų3536.4 Ų36.425%0.24523%0.227CC..SBendtrans-147.1148.1174.1-75.30000111Y245 Q246 S249Y245-S251 WeakPolarHBondContact CD1-O 3.19Å; Y245-S251 WeakPolarHBondContact CE1-O 3.5Å; Q246-S251 WeakPolarHBondContact CA-O 3.12Å; S249-S251 PolarHBondContact OG-N 3.5Å; S249-S251 PolarHBondContact OG-O 3.02Å
252P90.3Very high80.9Confident4 Ų442.4 Ų42.43%0.02626%0.255CS..  trans-60.8149.4175.7-21.131.3000111.8E205 Q246 F254 R255E205-P252 HydrophobicContact CB-CB 4.14Å; E205-P252 HydrophobicContact CB-CG 4.27Å; E205-P252 WeakPolarHBondContact OE2-CG 3.24Å; Q246-P252 HydrophobicContact CG-CG 4.2Å; P252-F254 PolarHBondContact O-N 3.39Å; P252-R255 HydrophobicContact CB-CB 4.23Å; P252-R255 HydrophobicContact CG-CB 4.33Å; P252-R255 PolarHBondContact O-N 3.5Å
253P92.4Very high80.2Confident5 Ų550 Ų503%0.03229%0.285CS..THydrogen-bonded Turntrans-60.6-32.6-174.421.7-31.1000113.3C242 Y245 Y274 L292C242-P253 HydrophobicContact CB-CG 4.14Å; Y245-P253 HydrophobicContact CD1-CB 3.75Å; Y245-P253 HydrophobicContact CD1-CG 4.1Å; Y245-P253 HydrophobicContact CD2-CB 4.16Å; Y245-P253 VanDerWaalsContact CE1-CA 3.41Å; Y245-P253 HydrophobicContact CE1-CB 3.9Å; Y245-P253 HydrophobicContact CE2-CB 4.27Å; Y245-P253 HydrophobicContact CG-CB 3.9Å; Y245-P253 HydrophobicContact CG-CG 4.23Å; P253-Y274 HydrophobicContact CB-CD2 4.14Å; P253-Y274 HydrophobicContact CB-CG 4.03Å; P253-Y274 VanDerWaalsContact O-CB 3.26Å; P253-Y274 WeakPolarHBondContact O-CB 3.06Å; P253-L292 HydrophobicContact CB-CD1 4.16Å; P253-L292 HydrophobicContact CG-CD1 3.95Å
254F91.5Very high79.5Confident0 Ų053.6 Ų53.60%030%0.301CS..THydrogen-bonded Turntrans-100.73.3-175.2-50.9-67000114W238 P252 T265 K268 I269 L272 Y274 L292W238-F254 AromaticContact CE2-CE2 3.86Å; W238-F254 HydrophobicContact CH2-CE2 4.1Å; W238-F254 AromaticContact CH2-CZ 3.71Å; W238-F254 HydrophobicContact CH2-CZ 3.71Å; W238-F254 HydrophobicContact CZ2-CD2 4.28Å; W238-F254 HydrophobicContact CZ2-CE1 4.42Å; W238-F254 AromaticContact CZ2-CE2 3.28Å; W238-F254 HydrophobicContact CZ2-CE2 3.28Å; W238-F254 AromaticContact CZ2-CZ 3.37Å; W238-F254 HydrophobicContact CZ2-CZ 3.37Å; P252-F254 PolarHBondContact O-N 3.39Å; F254-T265 HydrophobicContact CB-CG2 4.13Å; F254-K268 HydrophobicContact CB-CB 4.24Å; F254-K268 HydrophobicContact CD1-CB 4.08Å; F254-K268 WeakPolarHBondContact O-CD 3.41Å; F254-I269 HydrophobicContact CB-CG1 3.95Å; F254-I269 HydrophobicContact CD1-CG1 4.12Å; F254-I269 HydrophobicContact CD2-CD1 4.44Å; F254-I269 HydrophobicContact CD2-CG1 3.65Å; F254-I269 HydrophobicContact CE2-CG1 4.2Å; F254-I269 HydrophobicContact CG-CG1 3.61Å; F254-L272 HydrophobicContact CE1-CD1 4.49Å; F254-L272 HydrophobicContact CZ-CD1 4.33Å; F254-Y274 AromaticContact CE1-CD1 3.62Å; F254-Y274 HydrophobicContact CE1-CD1 3.62Å; F254-Y274 HydrophobicContact CE1-CE1 4.4Å; F254-Y274 HydrophobicContact CE1-CG 4.24Å; F254-Y274 HydrophobicContact CZ-CD1 4.03Å; F254-Y274 HydrophobicContact CZ-CE1 4.45Å; F254-L292 HydrophobicContact CE2-CD1 4.39Å; F254-L292 HydrophobicContact CZ-CD1 4.2Å
255R79.7Confident79Confident97 Ų9753.8 Ų53.837%0.36630%0.302SS..  trans-71.6151.8175.9-174.9177.4-87.8172.9-5.7110.6E205 P252 V260 K268E205-R255 IonicContact OE1-CZ 3.03Å; E205-R255 IonicContact OE1-NE 2.63Å; E205-R255 PolarHBondContact OE1-NE 3.22Å; E205-R255 IonicContact OE1-NH2 3.67Å; E205-R255 PolarHBondContact OE1-NH2 3.07Å; E205-R255 IonicContact OE2-CZ 3.73Å; E205-R255 IonicContact OE2-NE 2.95Å; E205-R255 IonicContact OE2-NH2 3.31Å; E205-R255 PolarHBondContact OE2-NH2 3.29Å; P252-R255 HydrophobicContact CB-CB 4.23Å; P252-R255 HydrophobicContact CG-CB 4.33Å; P252-R255 PolarHBondContact O-N 3.5Å; R255-V260 HydrophobicContact CG-CG2 4.49Å; R255-K268 PolarHBondContact O-NZ 3.37Å; R255-K268 VanDerWaalsContact O-NZ 3.08Å
256K61.2Low78.6Confident106 Ų10655.3 Ų55.346%0.46131%0.31SS..  trans-115156.1163.9-85.5-166.5-173.8167.90110.5E264 K268K256-E264 WeakPolarHBondContact CD-OE2 3.43Å; K256-E264 WeakPolarHBondContact CE-OE2 3.35Å; K256-E264 IonicContact NZ-OE2 3.59Å; K256-E264 PolarHBondContact NZ-OE2 3.37Å; K256-K268 HydrophobicContact CG-CD 4.48Å
257G52.5Low78.4Confident85 Ų8559.2 Ų59.288%0.87633%0.328SS*.SBendtrans-70.9138.3165.100000111
258G52.7Low78.2Confident55 Ų5561.1 Ų61.157%0.56734%0.336SS*.SBendtrans109.1179.8-177.600000113.3V260G258-V260 PolarHBondContact O-N 2.85Å; G258-V260 VanDerWaalsContact O-N 3.07Å
259P50.4Low78.2Confident124 Ų12461.1 Ų61.181%0.80534%0.336SS*.SBendtrans-60.6112.5174.223.9-30.4000109.3H261P259-H261 PolarHBondContact O-N 3.4Å
260V55.6Low78.4Confident65 Ų6564.3 Ų64.339%0.39435%0.351SS..  trans-73118.1-174.7179.70000109.3R255 G258R255-V260 HydrophobicContact CG-CG2 4.49Å; G258-V260 PolarHBondContact O-N 2.85Å; G258-V260 VanDerWaalsContact O-N 3.07Å
261H68.4Low78.9Confident125 Ų12567.4 Ų67.458%0.57937%0.371SS*.  trans-89.2124161.4-73.3-66.5000109.1P259 Y263 E264P259-H261 PolarHBondContact O-N 3.4Å; H261-Y263 PolarHBondContact O-N 2.92Å; H261-Y263 VanDerWaalsContact O-N 3.13Å; H261-E264 HydrophobicContact CB-CG 4.41Å; H261-E264 PolarHBondContact O-N 3.45Å
262E78Confident79.3Confident126 Ų12668.6 Ų68.659%0.58937%0.374SS*.Hα-helixtrans-50.6-39.1-179.8-57.9179.2165.100112.1P204 E264 T265 F266P204-E262 HydrophobicContact CG-CG 4.25Å; E262-E264 VanDerWaalsContact C-N 3.33Å; E262-E264 PolarHBondContact O-N 3.45Å; E262-T265 WeakPolarHBondContact O-CB 3.05Å; E262-T265 PolarHBondContact O-N 3.23Å; E262-T265 VanDerWaalsContact O-N 3.14Å; E262-F266 HydrophobicContact CB-CE2 4.02Å; E262-F266 HydrophobicContact CB-CZ 4.22Å; E262-F266 WeakPolarHBondContact O-CD2 3.42Å; E262-F266 WeakPolarHBondContact O-CG 3.34Å; E262-F266 PolarHBondContact O-N 3.43Å
263Y82.5Confident79.5Confident160 Ų16071.2 Ų71.263%0.62739%0.392SS*.Hα-helixtrans-56.1-41.9177.8-176.7-101.8000113.2H261 T265 F266 Q267H261-Y263 PolarHBondContact O-N 2.92Å; H261-Y263 VanDerWaalsContact O-N 3.13Å; Y263-T265 VanDerWaalsContact C-N 3.35Å; Y263-F266 PolarHBondContact O-N 3.42Å; Y263-Q267 HydrophobicContact CD1-CG 4.25Å; Y263-Q267 HydrophobicContact CE1-CG 3.88Å; Y263-Q267 WeakPolarHBondContact O-CG 3.39Å; Y263-Q267 PolarHBondContact O-N 3.41Å; Y263-Q267 PolarHBondContact OH-NE2 2.8Å
264E83.8Confident79.5Confident76 Ų7672.9 Ų72.936%0.35540%0.398SS..Hα-helixtrans-69.1-36.1179.3-66.1-169.7-158.500112.3K256 H261 E262 F266 Q267 K268K256-E264 WeakPolarHBondContact CD-OE2 3.43Å; K256-E264 WeakPolarHBondContact CE-OE2 3.35Å; K256-E264 IonicContact NZ-OE2 3.59Å; K256-E264 PolarHBondContact NZ-OE2 3.37Å; H261-E264 HydrophobicContact CB-CG 4.41Å; H261-E264 PolarHBondContact O-N 3.45Å; E262-E264 VanDerWaalsContact C-N 3.33Å; E262-E264 PolarHBondContact O-N 3.45Å; E264-F266 VanDerWaalsContact C-N 3.32Å; E264-Q267 PolarHBondContact O-N 3Å; E264-K268 PolarHBondContact O-N 3.3Å
265T87.9Confident79.6Confident4 Ų478.1 Ų78.13%0.02543%0.43CS..Hα-helixtrans-62.9-43.5175.1-550000109.7P204 F254 E262 Y263 Q267 K268 I269P204-T265 HydrophobicContact CB-CG2 4.31Å; F254-T265 HydrophobicContact CB-CG2 4.13Å; E262-T265 WeakPolarHBondContact O-CB 3.05Å; E262-T265 PolarHBondContact O-N 3.23Å; E262-T265 VanDerWaalsContact O-N 3.14Å; Y263-T265 VanDerWaalsContact C-N 3.35Å; T265-Q267 PolarHBondContact O-N 2.65Å; T265-K268 PolarHBondContact O-N 2.94Å; T265-I269 HydrophobicContact CG2-CD1 4.05Å; T265-I269 WeakPolarHBondContact O-CG1 3.43Å; T265-I269 PolarHBondContact O-N 2.68Å
266F88.2Confident80Confident54 Ų5475.5 Ų75.524%0.23742%0.422CS..Hα-helixtrans-62.7-40.8175.2-59.3-30.1000112.9P204 L212 E262 Y263 E264 K268 I269 L270P204-F266 HydrophobicContact CB-CD1 4.27Å; P204-F266 HydrophobicContact CB-CE1 3.42Å; P204-F266 VanDerWaalsContact CB-CE1 3.42Å; P204-F266 HydrophobicContact CB-CZ 3.86Å; L212-F266 HydrophobicContact CD1-CB 4.05Å; L212-F266 HydrophobicContact CD1-CD1 3.78Å; L212-F266 HydrophobicContact CD1-CG 4.15Å; L212-F266 HydrophobicContact CD2-CD1 3.51Å; L212-F266 HydrophobicContact CD2-CE1 3.54Å; L212-F266 HydrophobicContact CD2-CG 4.07Å; L212-F266 HydrophobicContact CD2-CZ 4.14Å; L212-F266 HydrophobicContact CG-CD1 4.31Å; E262-F266 HydrophobicContact CB-CE2 4.02Å; E262-F266 HydrophobicContact CB-CZ 4.22Å; E262-F266 WeakPolarHBondContact O-CD2 3.42Å; E262-F266 WeakPolarHBondContact O-CG 3.34Å; E262-F266 PolarHBondContact O-N 3.43Å; Y263-F266 PolarHBondContact O-N 3.42Å; E264-F266 VanDerWaalsContact C-N 3.32Å; F266-K268 VanDerWaalsContact C-N 3.34Å; F266-K268 PolarHBondContact O-N 3.44Å; F266-I269 HydrophobicContact CD1-CD1 4.39Å; F266-I269 PolarHBondContact O-N 2.91Å; F266-L270 WeakPolarHBondContact O-CB 3.44Å; F266-L270 VanDerWaalsContact O-CG 3.3Å; F266-L270 WeakPolarHBondContact O-CG 3.46Å; F266-L270 PolarHBondContact O-N 3.12Å
267Q89.3Confident81Confident85 Ų8572.9 Ų72.940%0.39742%0.42SS..Hα-helixtrans-61.8-41.7175.4-69-57.9-4400111.9Y263 E264 T265 L270 S271Y263-Q267 HydrophobicContact CD1-CG 4.25Å; Y263-Q267 HydrophobicContact CE1-CG 3.88Å; Y263-Q267 WeakPolarHBondContact O-CG 3.39Å; Y263-Q267 PolarHBondContact O-N 3.41Å; Y263-Q267 PolarHBondContact OH-NE2 2.8Å; E264-Q267 PolarHBondContact O-N 3Å; T265-Q267 PolarHBondContact O-N 2.65Å; Q267-L270 PolarHBondContact O-N 2.82Å; Q267-S271 WeakPolarHBondContact O-CB 3.35Å; Q267-S271 PolarHBondContact O-N 3.22Å; Q267-S271 PolarHBondContact O-OG 3.23Å
268K91.1Very high82.1Confident41 Ų4175.2 Ų75.218%0.17842%0.42CS..Hα-helixtrans-63.5-42.1174.6-78.6-174.2159-162.10112.5F254 R255 K256 E264 T265 F266 S271 L272 S273F254-K268 HydrophobicContact CB-CB 4.24Å; F254-K268 HydrophobicContact CD1-CB 4.08Å; F254-K268 WeakPolarHBondContact O-CD 3.41Å; R255-K268 PolarHBondContact O-NZ 3.37Å; R255-K268 VanDerWaalsContact O-NZ 3.08Å; K256-K268 HydrophobicContact CG-CD 4.48Å; E264-K268 PolarHBondContact O-N 3.3Å; T265-K268 PolarHBondContact O-N 2.94Å; F266-K268 VanDerWaalsContact C-N 3.34Å; F266-K268 PolarHBondContact O-N 3.44Å; K268-S271 CarbonylContact O-C 3.6Å; K268-S271 PolarHBondContact O-N 2.83Å; K268-S271 PolarHBondContact O-OG 2.79Å; K268-L272 CarbonylContact O-C 3.59Å; K268-L272 WeakPolarHBondContact O-CA 3.21Å; K268-L272 PolarHBondContact O-N 3.09Å; K268-S273 PolarHBondContact O-N 2.9Å
269I91.9Very high83.4Confident0 Ų079.7 Ų79.70%043%0.431CS..Hα-helixtrans-60.2-50.3176.1-71.5162.9000110.1P204 P209 L212 W238 F254 T265 F266 S271 L272 I294P204-I269 WeakPolarHBondContact O-CD1 3.33Å; P209-I269 HydrophobicContact CB-CG2 4.28Å; P209-I269 HydrophobicContact CG-CG2 3.76Å; L212-I269 HydrophobicContact CD1-CB 4.17Å; L212-I269 HydrophobicContact CD1-CD1 4.38Å; L212-I269 HydrophobicContact CD1-CG2 3.78Å; W238-I269 HydrophobicContact CH2-CG2 4.42Å; W238-I269 HydrophobicContact CZ2-CG1 4.48Å; W238-I269 HydrophobicContact CZ2-CG2 3.86Å; F254-I269 HydrophobicContact CB-CG1 3.95Å; F254-I269 HydrophobicContact CD1-CG1 4.12Å; F254-I269 HydrophobicContact CD2-CD1 4.44Å; F254-I269 HydrophobicContact CD2-CG1 3.65Å; F254-I269 HydrophobicContact CE2-CG1 4.2Å; F254-I269 HydrophobicContact CG-CG1 3.61Å; T265-I269 HydrophobicContact CG2-CD1 4.05Å; T265-I269 WeakPolarHBondContact O-CG1 3.43Å; T265-I269 PolarHBondContact O-N 2.68Å; F266-I269 HydrophobicContact CD1-CD1 4.39Å; F266-I269 PolarHBondContact O-N 2.91Å; I269-S271 VanDerWaalsContact C-N 3.31Å; I269-S271 PolarHBondContact O-N 3.38Å; I269-L272 PolarHBondContact O-N 2.89Å; I269-I294 WeakPolarHBondContact O-CD1 3.4Å
270L91Very high85.2Confident90 Ų9074.5 Ų74.547%0.47140%0.395SS..Hα-helixtrans-68.1-28.7-177.3-67.1173.6000113.5P209 L212 F266 Q267P209-L270 HydrophobicContact CB-CD2 4.47Å; L212-L270 HydrophobicContact CD1-CD2 4.35Å; L212-L270 HydrophobicContact CD1-CG 4.3Å; F266-L270 WeakPolarHBondContact O-CB 3.44Å; F266-L270 VanDerWaalsContact O-CG 3.3Å; F266-L270 WeakPolarHBondContact O-CG 3.46Å; F266-L270 PolarHBondContact O-N 3.12Å; Q267-L270 PolarHBondContact O-N 2.82Å
271S93Very high87Confident79 Ų7973.1 Ų73.155%0.55239%0.386SS*.THydrogen-bonded Turntrans-93.42.1175.359.30000114Q267 K268 I269 S273Q267-S271 WeakPolarHBondContact O-CB 3.35Å; Q267-S271 PolarHBondContact O-N 3.22Å; Q267-S271 PolarHBondContact O-OG 3.23Å; K268-S271 CarbonylContact O-C 3.6Å; K268-S271 PolarHBondContact O-N 2.83Å; K268-S271 PolarHBondContact O-OG 2.79Å; I269-S271 VanDerWaalsContact C-N 3.31Å; I269-S271 PolarHBondContact O-N 3.38Å; S271-S273 PolarHBondContact O-N 3.22Å; S271-S273 WeakPolarHBondContact OG-CB 3.46Å
272L94.4Very high88.3Confident59 Ų5971.7 Ų71.731%0.30939%0.387SS..THydrogen-bonded Turntrans50.539.8-173.4-159.461.2000113.6W238 F254 K268 I269 Y274 L292 I294W238-L272 HydrophobicContact CH2-CD1 3.69Å; W238-L272 HydrophobicContact CZ3-CD1 4.05Å; F254-L272 HydrophobicContact CE1-CD1 4.49Å; F254-L272 HydrophobicContact CZ-CD1 4.33Å; K268-L272 CarbonylContact O-C 3.59Å; K268-L272 WeakPolarHBondContact O-CA 3.21Å; K268-L272 PolarHBondContact O-N 3.09Å; I269-L272 PolarHBondContact O-N 2.89Å; L272-Y274 HydrophobicContact CD1-CD1 4.34Å; L272-Y274 HydrophobicContact CD1-CE1 3.75Å; L272-Y274 HydrophobicContact CG-CD1 4.39Å; L272-Y274 HydrophobicContact CG-CE1 3.81Å; L272-Y274 PolarHBondContact O-N 2.73Å; L272-L292 HydrophobicContact CD1-CB 4.42Å; L272-L292 VanDerWaalsContact CD1-O 3.3Å; L272-L292 WeakPolarHBondContact CD1-O 3.25Å; L272-I294 HydrophobicContact CB-CD1 3.92Å; L272-I294 HydrophobicContact CB-CG1 4Å; L272-I294 HydrophobicContact CD1-CD1 3.91Å; L272-I294 HydrophobicContact CD1-CG1 4.26Å; L272-I294 HydrophobicContact CD2-CG1 4.23Å; L272-I294 HydrophobicContact CG-CD1 4.38Å; L272-I294 HydrophobicContact CG-CG1 4.38Å
273S93.3Very high89.3Confident60 Ų6068.8 Ų68.842%0.4238%0.375SS..  trans-92.597.9-173.9-174.30000112.3K268 S271K268-S273 PolarHBondContact O-N 2.9Å; S271-S273 PolarHBondContact O-N 3.22Å; S271-S273 WeakPolarHBondContact OG-CB 3.46Å
274Y93.8Very high90Very high40 Ų4061.2 Ų61.216%0.15735%0.346CS..  trans-148.1161.7171.166.1-79.4000110Y245 P253 F254 L272 F276 V288 L292Y245-Y274 HydrophobicContact CD2-CD2 4.5Å; Y245-Y274 HydrophobicContact CE2-CD2 4.15Å; P253-Y274 HydrophobicContact CB-CD2 4.14Å; P253-Y274 HydrophobicContact CB-CG 4.03Å; P253-Y274 VanDerWaalsContact O-CB 3.26Å; P253-Y274 WeakPolarHBondContact O-CB 3.06Å; F254-Y274 AromaticContact CE1-CD1 3.62Å; F254-Y274 HydrophobicContact CE1-CD1 3.62Å; F254-Y274 HydrophobicContact CE1-CE1 4.4Å; F254-Y274 HydrophobicContact CE1-CG 4.24Å; F254-Y274 HydrophobicContact CZ-CD1 4.03Å; F254-Y274 HydrophobicContact CZ-CE1 4.45Å; L272-Y274 HydrophobicContact CD1-CD1 4.34Å; L272-Y274 HydrophobicContact CD1-CE1 3.75Å; L272-Y274 HydrophobicContact CG-CD1 4.39Å; L272-Y274 HydrophobicContact CG-CE1 3.81Å; L272-Y274 PolarHBondContact O-N 2.73Å; Y274-F276 HydrophobicContact CD2-CE2 4.27Å; Y274-F276 HydrophobicContact CD2-CZ 4.39Å; Y274-F276 HydrophobicContact CE2-CD2 4.41Å; Y274-F276 HydrophobicContact CE2-CE1 4.44Å; Y274-F276 AromaticContact CE2-CE2 3.56Å; Y274-F276 HydrophobicContact CE2-CE2 3.56Å; Y274-F276 AromaticContact CE2-CZ 3.59Å; Y274-F276 HydrophobicContact CE2-CZ 3.59Å; Y274-V288 HydrophobicContact CE2-CG1 4.41Å; Y274-L292 HydrophobicContact CE1-CB 4.21Å; Y274-L292 HydrophobicContact CE1-CD1 4.15Å; Y274-L292 HydrophobicContact CE2-CD1 4.07Å
275T92.2Very high90.7Very high110 Ų11061.3 Ų61.368%0.67535%0.345SS*.  trans-132.7153.4178.956.10000110.6Y245Y245-T275 WeakPolarHBondContact CE2-O 3.33Å; Y245-T275 PolarHBondContact OH-O 3.09Å
276F89.1Confident91.2Very high41 Ų4164 Ų6418%0.1836%0.359CS..  trans-95.7146.9172.2-65.3-85.9000110.3Y245 Y274 F280 K285 V288 E289Y245-F276 HydrophobicContact CD2-CD1 4.01Å; Y245-F276 AromaticContact CD2-CE1 3.7Å; Y245-F276 HydrophobicContact CD2-CE1 3.7Å; Y245-F276 HydrophobicContact CD2-CZ 4.47Å; Y245-F276 AromaticContact CE2-CD1 3.79Å; Y245-F276 HydrophobicContact CE2-CD1 3.79Å; Y245-F276 AromaticContact CE2-CE1 3.91Å; Y245-F276 HydrophobicContact CE2-CE1 3.91Å; Y245-F276 HydrophobicContact CE2-CG 4.46Å; Y274-F276 HydrophobicContact CD2-CE2 4.27Å; Y274-F276 HydrophobicContact CD2-CZ 4.39Å; Y274-F276 HydrophobicContact CE2-CD2 4.41Å; Y274-F276 HydrophobicContact CE2-CE1 4.44Å; Y274-F276 AromaticContact CE2-CE2 3.56Å; Y274-F276 HydrophobicContact CE2-CE2 3.56Å; Y274-F276 AromaticContact CE2-CZ 3.59Å; Y274-F276 HydrophobicContact CE2-CZ 3.59Å; F276-F280 HydrophobicContact CB-CB 4.07Å; F276-F280 HydrophobicContact CB-CG 4.34Å; F276-F280 HydrophobicContact CD1-CB 4.27Å; F276-F280 AromaticContact CD1-CD1 3.62Å; F276-F280 HydrophobicContact CD1-CD1 3.62Å; F276-F280 AromaticContact CD1-CD2 3.87Å; F276-F280 HydrophobicContact CD1-CD2 3.87Å; F276-F280 AromaticContact CD1-CE1 3.8Å; F276-F280 HydrophobicContact CD1-CE1 3.8Å; F276-F280 HydrophobicContact CD1-CE2 4.03Å; F276-F280 AromaticContact CD1-CG 3.65Å; F276-F280 HydrophobicContact CD1-CG 3.65Å; F276-F280 HydrophobicContact CD1-CZ 4Å; F276-F280 HydrophobicContact CE1-CD1 4.07Å; F276-F280 AromaticContact CE1-CE1 3.81Å; F276-F280 HydrophobicContact CE1-CE1 3.81Å; F276-F280 HydrophobicContact CE1-CE2 4.43Å; F276-F280 HydrophobicContact CE1-CG 4.48Å; F276-F280 HydrophobicContact CE1-CZ 4Å; F276-F280 HydrophobicContact CG-CG 4.45Å; F276-K285 HydrophobicContact CD1-CB 4.4Å; F276-K285 HydrophobicContact CD1-CG 4.06Å; F276-K285 HydrophobicContact CD2-CD 4.07Å; F276-K285 HydrophobicContact CD2-CG 3.93Å; F276-K285 HydrophobicContact CE1-CB 4.21Å; F276-K285 HydrophobicContact CE1-CG 3.89Å; F276-K285 HydrophobicContact CE2-CD 4.34Å; F276-K285 HydrophobicContact CE2-CG 3.77Å; F276-K285 HydrophobicContact CG-CD 4.18Å; F276-K285 HydrophobicContact CG-CG 4.06Å; F276-K285 HydrophobicContact CZ-CB 4.44Å; F276-K285 HydrophobicContact CZ-CG 3.73Å; F276-V288 HydrophobicContact CE1-CB 4.16Å; F276-V288 HydrophobicContact CE1-CG1 3.99Å; F276-V288 HydrophobicContact CZ-CB 4.11Å; F276-V288 HydrophobicContact CZ-CG1 3.82Å; F276-E289 HydrophobicContact CE2-CG 3.72Å; F276-E289 HydrophobicContact CZ-CG 3.85Å
277A82Confident91.7Very high51 Ų5161.4 Ų61.442%0.42135%0.348SS..  trans-64.2150.6167.100000110N279 F280A277-N279 PolarHBondContact O-N 3.2Å; A277-N279 VanDerWaalsContact O-N 3.12Å; A277-F280 VanDerWaalsContact O-CB 3.26Å; A277-F280 WeakPolarHBondContact O-CB 3.23Å; A277-F280 PolarHBondContact O-N 2.77Å
278P76.6Confident92.2Very high135 Ų13557.3 Ų57.388%0.87733%0.329SS*.THydrogen-bonded Turntrans-55.1-33-180-27.935.3000114.2
279N79.6Confident92.5Very high149 Ų14959.3 Ų59.380%0.79734%0.339SS*.THydrogen-bonded Turntrans-98.518.6-179.1-60.7-12.9000113A277A277-N279 PolarHBondContact O-N 3.2Å; A277-N279 VanDerWaalsContact O-N 3.12Å
280F88.5Confident92.9Very high15 Ų1563.3 Ų63.37%0.06636%0.356CS..SBendtrans-68.2135.5175.5-162.2-79.4000109.6Y245 I248 F276 A277 A284 K285Y245-F280 HydrophobicContact CD2-CE2 4.14Å; Y245-F280 HydrophobicContact CD2-CZ 4.28Å; Y245-F280 HydrophobicContact CE2-CE2 4.4Å; I248-F280 HydrophobicContact CB-CD2 4.46Å; I248-F280 HydrophobicContact CB-CE2 3.69Å; I248-F280 HydrophobicContact CB-CZ 3.78Å; I248-F280 HydrophobicContact CD1-CE1 4.21Å; I248-F280 HydrophobicContact CD1-CZ 3.97Å; I248-F280 HydrophobicContact CG1-CZ 4.46Å; I248-F280 HydrophobicContact CG2-CD1 4.37Å; I248-F280 HydrophobicContact CG2-CD2 3.69Å; I248-F280 HydrophobicContact CG2-CE1 4.13Å; I248-F280 HydrophobicContact CG2-CE2 3.4Å; I248-F280 HydrophobicContact CG2-CG 4.18Å; I248-F280 HydrophobicContact CG2-CZ 3.64Å; F276-F280 HydrophobicContact CB-CB 4.07Å; F276-F280 HydrophobicContact CB-CG 4.34Å; F276-F280 HydrophobicContact CD1-CB 4.27Å; F276-F280 AromaticContact CD1-CD1 3.62Å; F276-F280 HydrophobicContact CD1-CD1 3.62Å; F276-F280 AromaticContact CD1-CD2 3.87Å; F276-F280 HydrophobicContact CD1-CD2 3.87Å; F276-F280 AromaticContact CD1-CE1 3.8Å; F276-F280 HydrophobicContact CD1-CE1 3.8Å; F276-F280 HydrophobicContact CD1-CE2 4.03Å; F276-F280 AromaticContact CD1-CG 3.65Å; F276-F280 HydrophobicContact CD1-CG 3.65Å; F276-F280 HydrophobicContact CD1-CZ 4Å; F276-F280 HydrophobicContact CE1-CD1 4.07Å; F276-F280 AromaticContact CE1-CE1 3.81Å; F276-F280 HydrophobicContact CE1-CE1 3.81Å; F276-F280 HydrophobicContact CE1-CE2 4.43Å; F276-F280 HydrophobicContact CE1-CG 4.48Å; F276-F280 HydrophobicContact CE1-CZ 4Å; F276-F280 HydrophobicContact CG-CG 4.45Å; A277-F280 VanDerWaalsContact O-CB 3.26Å; A277-F280 WeakPolarHBondContact O-CB 3.23Å; A277-F280 PolarHBondContact O-N 2.77Å; F280-A284 HydrophobicContact CE1-CB 3.87Å; F280-K285 HydrophobicContact CD1-CB 3.88Å; F280-K285 HydrophobicContact CE1-CB 4.21Å
281D92.5Very high93.2Very high36 Ų3659 Ų5919%0.19333%0.333CS..  trans-56.4124.4-176.8177.375.3000111.5V139 I283 A284 K285V139-D281 HydrophobicContact CG1-CB 4.06Å; V139-D281 HydrophobicContact CG2-CB 3.62Å; D281-I283 VanDerWaalsContact C-N 3.29Å; D281-I283 PolarHBondContact O-N 3.04Å; D281-I283 PolarHBondContact OD2-N 2.96Å; D281-A284 HydrophobicContact CB-CB 3.97Å; D281-A284 PolarHBondContact O-N 2.58Å; D281-A284 WeakPolarHBondContact OD2-CB 3.35Å; D281-A284 PolarHBondContact OD2-N 3.3Å; D281-K285 VanDerWaalsContact O-CB 3.32Å; D281-K285 WeakPolarHBondContact O-CB 3.46Å; D281-K285 PolarHBondContact O-N 3.07Å
282P96.7Very high93.5Very high94 Ų9455.3 Ų55.361%0.6131%0.307SS*.Hα-helixtrans-65.8-30.5-172.323.8-33.6000113.2D286P282-D286 PolarHBondContact O-N 3.45Å; P282-D286 VanDerWaalsContact O-N 3.13Å
283I98.1Very high93.6Very high66 Ų6653.8 Ų53.834%0.33830%0.301SS..Hα-helixtrans-75.1-42.7179.5-57.9176000110.2D281 K285 D286 L287 M315 F316D281-I283 VanDerWaalsContact C-N 3.29Å; D281-I283 PolarHBondContact O-N 3.04Å; D281-I283 PolarHBondContact OD2-N 2.96Å; I283-K285 VanDerWaalsContact C-N 3.32Å; I283-D286 PolarHBondContact O-N 3.19Å; I283-L287 PolarHBondContact O-N 3.22Å; I283-M315 HydrophobicContact CD1-CG 4.27Å; I283-M315 HydrophobicContact CG2-CB 3.93Å; I283-M315 HydrophobicContact CG2-CG 3.86Å; I283-F316 VanDerWaalsContact CG2-CA 3.5Å; I283-F316 HydrophobicContact CG2-CB 3.96Å; I283-F316 HydrophobicContact CG2-CD2 4.41Å
284A98Very high93.7Very high0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-65-38.4173.500000111.7I248 F280 D281 L287 V288 F316I248-A284 HydrophobicContact CD1-CB 3.35Å; F280-A284 HydrophobicContact CE1-CB 3.87Å; D281-A284 HydrophobicContact CB-CB 3.97Å; D281-A284 PolarHBondContact O-N 2.58Å; D281-A284 WeakPolarHBondContact OD2-CB 3.35Å; D281-A284 PolarHBondContact OD2-N 3.3Å; A284-L287 PolarHBondContact O-N 2.95Å; A284-V288 WeakPolarHBondContact O-CG2 3.27Å; A284-V288 PolarHBondContact O-N 3.08Å; A284-F316 HydrophobicContact CB-CD2 3.78Å; A284-F316 HydrophobicContact CB-CE2 3.57Å; A284-F316 HydrophobicContact CB-CZ 4.47Å
285K98.3Very high93.7Very high78 Ų7853.8 Ų53.834%0.33930%0.301SS..Hα-helixtrans-56.4-51.8175.3177.2179.5171.8-173.80110.6F276 F280 D281 I283 L287 V288 E289F276-K285 HydrophobicContact CD1-CB 4.4Å; F276-K285 HydrophobicContact CD1-CG 4.06Å; F276-K285 HydrophobicContact CD2-CD 4.07Å; F276-K285 HydrophobicContact CD2-CG 3.93Å; F276-K285 HydrophobicContact CE1-CB 4.21Å; F276-K285 HydrophobicContact CE1-CG 3.89Å; F276-K285 HydrophobicContact CE2-CD 4.34Å; F276-K285 HydrophobicContact CE2-CG 3.77Å; F276-K285 HydrophobicContact CG-CD 4.18Å; F276-K285 HydrophobicContact CG-CG 4.06Å; F276-K285 HydrophobicContact CZ-CB 4.44Å; F276-K285 HydrophobicContact CZ-CG 3.73Å; F280-K285 HydrophobicContact CD1-CB 3.88Å; F280-K285 HydrophobicContact CE1-CB 4.21Å; D281-K285 VanDerWaalsContact O-CB 3.32Å; D281-K285 WeakPolarHBondContact O-CB 3.46Å; D281-K285 PolarHBondContact O-N 3.07Å; I283-K285 VanDerWaalsContact C-N 3.32Å; K285-L287 VanDerWaalsContact C-N 3.31Å; K285-L287 PolarHBondContact O-N 3.07Å; K285-V288 PolarHBondContact O-N 3.45Å; K285-V288 VanDerWaalsContact O-N 3.15Å; K285-E289 WeakPolarHBondContact CE-OE1 3.22Å; K285-E289 HydrophobicContact CG-CG 4.4Å; K285-E289 IonicContact NZ-OE1 2.79Å; K285-E289 WeakPolarHBondContact O-CG 3.49Å; K285-E289 PolarHBondContact O-N 3.12Å
286D98.6Very high93.8Very high60 Ų6049.8 Ų49.832%0.32128%0.277SS..Hα-helixtrans-59.2-39.8178.8176.965.2000112.2P282 I283 K290 H314P282-D286 PolarHBondContact O-N 3.45Å; P282-D286 VanDerWaalsContact O-N 3.13Å; I283-D286 PolarHBondContact O-N 3.19Å; D286-K290 VanDerWaalsContact O-CG 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.47Å; D286-K290 PolarHBondContact O-N 3.24Å; D286-K290 WeakPolarHBondContact OD1-CE 3.41Å; D286-K290 IonicContact OD1-NZ 3.55Å; D286-K290 PolarHBondContact OD1-NZ 3Å; D286-K290 IonicContact OD2-NZ 3.58Å; D286-K290 PolarHBondContact OD2-NZ 2.78Å; D286-H314 IonicContact OD2-CE1 2.76Å; D286-H314 PolarHBondContact OD2-CE1 3.04Å; D286-H314 VanDerWaalsContact OD2-CE1 3.32Å; D286-H314 IonicContact OD2-NE2 2.8Å; D286-H314 PolarHBondContact OD2-NE2 3.02Å
287L98.8Very high94Very high0 Ų050.1 Ų50.10%028%0.284CS..Hα-helixtrans-62.4-48.6173.1179.554.2000111.9I244 I283 A284 K285 E289 K290 L291 L300 H314 F316 F317I244-L287 HydrophobicContact CD1-CD2 3.7Å; I244-L287 HydrophobicContact CD1-CG 4.39Å; I283-L287 PolarHBondContact O-N 3.22Å; A284-L287 PolarHBondContact O-N 2.95Å; K285-L287 VanDerWaalsContact C-N 3.31Å; K285-L287 PolarHBondContact O-N 3.07Å; L287-E289 PolarHBondContact O-N 2.89Å; L287-K290 PolarHBondContact O-N 3.11Å; L287-L291 HydrophobicContact CD1-CD1 3.74Å; L287-L291 HydrophobicContact CD1-CG 4.03Å; L287-L291 HydrophobicContact CG-CD1 3.8Å; L287-L291 HydrophobicContact CG-CG 4.48Å; L287-L291 WeakPolarHBondContact O-CG 3.28Å; L287-L291 PolarHBondContact O-N 2.85Å; L287-L300 HydrophobicContact CD1-CD2 3.71Å; L287-H314 VanDerWaalsContact CB-CE1 3.46Å; L287-H314 WeakPolarHBondContact CB-CE1 3.4Å; L287-H314 HydrophobicContact CD1-CB 4.02Å; L287-H314 PolarHBondContact N-CE1 3.34Å; L287-F316 HydrophobicContact CB-CB 4.32Å; L287-F316 HydrophobicContact CD2-CB 3.74Å; L287-F316 HydrophobicContact CD2-CD1 3.47Å; L287-F316 VanDerWaalsContact CD2-CD1 3.47Å; L287-F316 HydrophobicContact CD2-CE1 4.28Å; L287-F316 HydrophobicContact CD2-CG 3.76Å; L287-F317 HydrophobicContact CD2-CE2 3.74Å; L287-F317 HydrophobicContact CD2-CZ 4.01Å
288V98.7Very high94.7Very high0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-62.7-43-178.8170.50000110.8I244 Y245 Y274 F276 A284 K285 K290 L291 L292I244-V288 HydrophobicContact CB-CG2 4.19Å; I244-V288 HydrophobicContact CG2-CG2 3.83Å; Y245-V288 HydrophobicContact CD2-CG1 4.2Å; Y274-V288 HydrophobicContact CE2-CG1 4.41Å; F276-V288 HydrophobicContact CE1-CB 4.16Å; F276-V288 HydrophobicContact CE1-CG1 3.99Å; F276-V288 HydrophobicContact CZ-CB 4.11Å; F276-V288 HydrophobicContact CZ-CG1 3.82Å; A284-V288 WeakPolarHBondContact O-CG2 3.27Å; A284-V288 PolarHBondContact O-N 3.08Å; K285-V288 PolarHBondContact O-N 3.45Å; K285-V288 VanDerWaalsContact O-N 3.15Å; V288-K290 VanDerWaalsContact C-N 3.27Å; V288-K290 PolarHBondContact O-N 3.19Å; V288-L291 PolarHBondContact O-N 3.13Å; V288-L291 VanDerWaalsContact O-N 3.17Å; V288-L292 HydrophobicContact CG1-CD1 3.56Å; V288-L292 HydrophobicContact CG1-CG 3.92Å; V288-L292 WeakPolarHBondContact O-CB 3.38Å; V288-L292 WeakPolarHBondContact O-CG 3.28Å; V288-L292 PolarHBondContact O-N 3.28Å
289E98.5Very high95.7Very high83 Ų8347.5 Ų47.539%0.38825%0.252SS..Hα-helixtrans-61.3-36.3177.6-73.9175.9157.400112F276 K285 L287 V293F276-E289 HydrophobicContact CE2-CG 3.72Å; F276-E289 HydrophobicContact CZ-CG 3.85Å; K285-E289 WeakPolarHBondContact CE-OE1 3.22Å; K285-E289 HydrophobicContact CG-CG 4.4Å; K285-E289 IonicContact NZ-OE1 2.79Å; K285-E289 WeakPolarHBondContact O-CG 3.49Å; K285-E289 PolarHBondContact O-N 3.12Å; L287-E289 PolarHBondContact O-N 2.89Å; E289-V293 WeakPolarHBondContact O-CG2 3.1Å
290K98.5Very high96.6Very high83 Ų8341.4 Ų41.436%0.36122%0.219SC..Hα-helixtrans-76.5-23.4176.6-72.1172.6-175.91550114D286 L287 V288 V293 L300D286-K290 VanDerWaalsContact O-CG 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.47Å; D286-K290 PolarHBondContact O-N 3.24Å; D286-K290 WeakPolarHBondContact OD1-CE 3.41Å; D286-K290 IonicContact OD1-NZ 3.55Å; D286-K290 PolarHBondContact OD1-NZ 3Å; D286-K290 IonicContact OD2-NZ 3.58Å; D286-K290 PolarHBondContact OD2-NZ 2.78Å; L287-K290 PolarHBondContact O-N 3.11Å; V288-K290 VanDerWaalsContact C-N 3.27Å; V288-K290 PolarHBondContact O-N 3.19Å; K290-V293 WeakPolarHBondContact O-CG2 3.28Å; K290-L300 HydrophobicContact CB-CB 3.95Å; K290-L300 HydrophobicContact CB-CD2 4.16Å; K290-L300 WeakPolarHBondContact O-CB 3.47Å; K290-L300 PolarHBondContact O-N 3.17Å
291L98.5Very high96.9Very high0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-89.5-38.1176.1-70.8170.4000112.6F237 F240 I244 L287 V288 V293 R299 L300 V311F237-L291 HydrophobicContact CB-CD2 4.05Å; F240-L291 HydrophobicContact CD1-CD1 3.84Å; F240-L291 HydrophobicContact CE1-CD1 4.31Å; I244-L291 HydrophobicContact CD1-CD1 4.29Å; L287-L291 HydrophobicContact CD1-CD1 3.74Å; L287-L291 HydrophobicContact CD1-CG 4.03Å; L287-L291 HydrophobicContact CG-CD1 3.8Å; L287-L291 HydrophobicContact CG-CG 4.48Å; L287-L291 WeakPolarHBondContact O-CG 3.28Å; L287-L291 PolarHBondContact O-N 2.85Å; V288-L291 PolarHBondContact O-N 3.13Å; V288-L291 VanDerWaalsContact O-N 3.17Å; L291-V293 PolarHBondContact O-N 3.26Å; L291-R299 WeakPolarHBondContact O-CD 3.29Å; L291-R299 WeakPolarHBondContact O-CG 3.21Å; L291-R299 PolarHBondContact O-NE 3.13Å; L291-L300 HydrophobicContact CD2-CB 4.26Å; L291-V311 HydrophobicContact CD2-CG1 4.34Å; L291-V311 HydrophobicContact CD2-CG2 4.35Å
292L98.4Very high97.1Very high1 Ų139 Ų391%0.00521%0.207CC..SBendtrans-86.166.4178.5-60.1-171.8000110W238 P253 F254 L272 Y274 V288W238-L292 HydrophobicContact CD2-CD2 3.91Å; W238-L292 HydrophobicContact CE3-CD2 4.09Å; W238-L292 HydrophobicContact CG-CD2 4.32Å; W238-L292 HydrophobicContact CZ2-CD2 4.49Å; W238-L292 HydrophobicContact CZ3-CB 4.33Å; W238-L292 HydrophobicContact CZ3-CD2 4.46Å; W238-L292 WeakPolarHBondContact O-CD2 3.44Å; P253-L292 HydrophobicContact CB-CD1 4.16Å; P253-L292 HydrophobicContact CG-CD1 3.95Å; F254-L292 HydrophobicContact CE2-CD1 4.39Å; F254-L292 HydrophobicContact CZ-CD1 4.2Å; L272-L292 HydrophobicContact CD1-CB 4.42Å; L272-L292 VanDerWaalsContact CD1-O 3.3Å; L272-L292 WeakPolarHBondContact CD1-O 3.25Å; Y274-L292 HydrophobicContact CE1-CB 4.21Å; Y274-L292 HydrophobicContact CE1-CD1 4.15Å; Y274-L292 HydrophobicContact CE2-CD1 4.07Å; V288-L292 HydrophobicContact CG1-CD1 3.56Å; V288-L292 HydrophobicContact CG1-CG 3.92Å; V288-L292 WeakPolarHBondContact O-CB 3.38Å; V288-L292 WeakPolarHBondContact O-CG 3.28Å; V288-L292 PolarHBondContact O-N 3.28Å
293V97.4Very high96.9Very high27 Ų2738.8 Ų38.816%0.16421%0.205CC..  trans-113.5130.6176.5179.80000109.4E289 K290 L291 E298 R299E289-V293 WeakPolarHBondContact O-CG2 3.1Å; K290-V293 WeakPolarHBondContact O-CG2 3.28Å; L291-V293 PolarHBondContact O-N 3.26Å; V293-E298 HydrophobicContact CG1-CB 3.78Å; V293-R299 HydrophobicContact CB-CB 4.18Å; V293-R299 HydrophobicContact CB-CG 4.4Å; V293-R299 PolarHBondContact O-NE 3.15Å; V293-R299 VanDerWaalsContact O-NE 3.15Å; V293-R299 PolarHBondContact O-NH2 2.83Å
294I94.6Very high96.7Very high63 Ų6339.9 Ų39.932%0.32322%0.219SC..SBendtrans-61.1-48.7-177-63.1-61.8000111.4P209 W238 I269 L272 P296P209-I294 HydrophobicContact CB-CD1 4.17Å; P209-I294 HydrophobicContact CB-CG2 4.29Å; P209-I294 HydrophobicContact CG-CD1 3.55Å; W238-I294 HydrophobicContact CH2-CD1 4.16Å; W238-I294 HydrophobicContact CZ3-CD1 4.42Å; I269-I294 WeakPolarHBondContact O-CD1 3.4Å; L272-I294 HydrophobicContact CB-CD1 3.92Å; L272-I294 HydrophobicContact CB-CG1 4Å; L272-I294 HydrophobicContact CD1-CD1 3.91Å; L272-I294 HydrophobicContact CD1-CG1 4.26Å; L272-I294 HydrophobicContact CD2-CG1 4.23Å; L272-I294 HydrophobicContact CG-CD1 4.38Å; L272-I294 HydrophobicContact CG-CG1 4.38Å; I294-P296 VanDerWaalsContact O-CD 3.3Å; I294-P296 WeakPolarHBondContact O-CD 3.26Å
295S94Very high96.6Very high38 Ų3841.9 Ų41.927%0.26623%0.232SC..SBendtrans-76.8117178.7-175.10000110S297 E298 R299S295-S297 VanDerWaalsContact C-N 3.26Å; S295-S297 PolarHBondContact O-N 2.97Å; S295-S297 PolarHBondContact OG-OG 3.01Å; S295-E298 PolarHBondContact O-N 3.13Å; S295-E298 VanDerWaalsContact O-N 3.08Å; S295-R299 PolarHBondContact O-N 3.22Å
296P94.1Very high96.4Very high26 Ų2640.4 Ų40.417%0.16924%0.239CC..G310 helixtrans-59.5-35.4-179.7-25.736.2000112.8E210 L231 L234 I294 E298 R299 S302E210-P296 HydrophobicContact CB-CG 4.02Å; E210-P296 HydrophobicContact CG-CG 3.93Å; L231-P296 HydrophobicContact CD1-CB 4.47Å; L234-P296 HydrophobicContact CD1-CB 3.94Å; L234-P296 WeakPolarHBondContact CD1-O 3.2Å; I294-P296 VanDerWaalsContact O-CD 3.3Å; I294-P296 WeakPolarHBondContact O-CD 3.26Å; P296-E298 PolarHBondContact O-N 3.47Å; P296-R299 VanDerWaalsContact O-CB 3.3Å; P296-R299 WeakPolarHBondContact O-CB 3.26Å; P296-R299 PolarHBondContact O-N 3.16Å; P296-S302 WeakPolarHBondContact O-CB 3.49Å
297S93.9Very high96.1Very high47 Ų4738.4 Ų38.433%0.32923%0.232SC..G310 helixtrans-66.3-22.8178.554.90000113.6S295 S302 S304S295-S297 VanDerWaalsContact C-N 3.26Å; S295-S297 PolarHBondContact O-N 2.97Å; S295-S297 PolarHBondContact OG-OG 3.01Å; S297-S302 PolarHBondContact O-OG 3.41Å; S297-S304 PolarHBondContact O-OG 3.33Å
298E96.1Very high95.7Very high132 Ų13239.9 Ų39.962%0.61724%0.243SC*.G310 helixtrans-97.1-3.3178.5-63.9171.4-178.300112.4V293 S295 P296 C305V293-E298 HydrophobicContact CG1-CB 3.78Å; S295-E298 PolarHBondContact O-N 3.13Å; S295-E298 VanDerWaalsContact O-N 3.08Å; P296-E298 PolarHBondContact O-N 3.47Å; E298-C305 PolarHBondContact O-SG 3.24Å; E298-C305 VanDerWaalsContact O-SG 3.37Å
299R97.4Very high95.6Very high0 Ų044.7 Ų44.70%027%0.268CS..SBendtrans-76.2137.5179.4-166.5178-62.4154.44.9110.5E210 L234 L291 V293 S295 P296 G301 S302 C305E210-R299 IonicContact OE1-CZ 2.66Å; E210-R299 IonicContact OE1-NH1 2.73Å; E210-R299 PolarHBondContact OE1-NH1 2.82Å; E210-R299 IonicContact OE1-NH2 2.74Å; E210-R299 PolarHBondContact OE1-NH2 2.97Å; E210-R299 IonicContact OE2-CZ 2.79Å; E210-R299 IonicContact OE2-NH1 2.65Å; E210-R299 IonicContact OE2-NH2 3.68Å; E210-R299 PolarHBondContact OE2-NH2 3.08Å; L234-R299 VanDerWaalsContact C-NH1 3.31Å; L234-R299 PolarHBondContact O-NH1 2.71Å; L291-R299 WeakPolarHBondContact O-CD 3.29Å; L291-R299 WeakPolarHBondContact O-CG 3.21Å; L291-R299 PolarHBondContact O-NE 3.13Å; V293-R299 HydrophobicContact CB-CB 4.18Å; V293-R299 HydrophobicContact CB-CG 4.4Å; V293-R299 PolarHBondContact O-NE 3.15Å; V293-R299 VanDerWaalsContact O-NE 3.15Å; V293-R299 PolarHBondContact O-NH2 2.83Å; S295-R299 PolarHBondContact O-N 3.22Å; P296-R299 VanDerWaalsContact O-CB 3.3Å; P296-R299 WeakPolarHBondContact O-CB 3.26Å; P296-R299 PolarHBondContact O-N 3.16Å; R299-G301 PolarHBondContact O-N 2.98Å; R299-S302 WeakPolarHBondContact O-CB 3.12Å; R299-S302 PolarHBondContact O-N 3.4Å; R299-S302 PolarHBondContact O-OG 2.89Å; R299-S302 VanDerWaalsContact O-OG 3.11Å; R299-C305 WeakPolarHBondContact O-CB 3.32Å
300L98Very high95.5Very high21 Ų2141.6 Ų41.611%0.1126%0.255CS..THydrogen-bonded Turntrans-54.7136.1170.5-17172.6000110.4L287 K290 L291 S310 V311L287-L300 HydrophobicContact CD1-CD2 3.71Å; K290-L300 HydrophobicContact CB-CB 3.95Å; K290-L300 HydrophobicContact CB-CD2 4.16Å; K290-L300 WeakPolarHBondContact O-CB 3.47Å; K290-L300 PolarHBondContact O-N 3.17Å; L291-L300 HydrophobicContact CD2-CB 4.26Å; L300-S310 VanDerWaalsContact CD1-OG 3.24Å; L300-S310 WeakPolarHBondContact CD1-OG 3.41Å; L300-V311 HydrophobicContact CD2-CG2 4.28Å; L300-V311 HydrophobicContact CG-CG2 4Å
301G96.5Very high95.5Very high0 Ų037.6 Ų37.60%024%0.238CC..THydrogen-bonded Turntrans96.6-18.1-169.600000114.1Y233 R299 G307 S308 S310Y233-G301 PolarHBondContact OH-O 3.31Å; R299-G301 PolarHBondContact O-N 2.98Å; G301-G307 WeakPolarHBondContact CA-O 3.39Å; G301-G307 CarbonylContact O-C 3.32Å; G301-G307 VanDerWaalsContact O-CA 3.28Å; G301-G307 WeakPolarHBondContact O-CA 3.49Å; G301-S308 PolarHBondContact O-N 3.23Å; G301-S310 PolarHBondContact N-OG 3.43Å
302S95.5Very high95.4Very high0 Ų041.4 Ų41.40%025%0.252CS..SBendtrans-69.2156.1174.182.70000111.6P296 S297 R299 S304 C305 G306 G307P296-S302 WeakPolarHBondContact O-CB 3.49Å; S297-S302 PolarHBondContact O-OG 3.41Å; R299-S302 WeakPolarHBondContact O-CB 3.12Å; R299-S302 PolarHBondContact O-N 3.4Å; R299-S302 PolarHBondContact O-OG 2.89Å; R299-S302 VanDerWaalsContact O-OG 3.11Å; S302-S304 VanDerWaalsContact C-N 3.26Å; S302-S304 PolarHBondContact O-N 3.47Å; S302-S304 PolarHBondContact OG-OG 3.48Å; S302-C305 CarbonylContact O-C 3.58Å; S302-C305 WeakPolarHBondContact O-CA 3.44Å; S302-C305 PolarHBondContact O-N 3.41Å; S302-C305 WeakPolarHBondContact OG-CB 3.46Å; S302-C305 PolarHBondContact OG-N 2.81Å; S302-C305 VanDerWaalsContact OG-N 3.12Å; S302-C305 PolarHBondContact OG-SG 3.26Å; S302-C305 VanDerWaalsContact OG-SG 3.39Å; S302-G306 PolarHBondContact O-N 2.88Å; S302-G307 WeakPolarHBondContact O-CA 3.5Å; S302-G307 PolarHBondContact O-N 3.3Å
303P93.8Very high95.4Very high89 Ų8948 Ų4858%0.57828%0.283SS*.G310 helixtrans-55.4-39.1176.6-26.435.9000113.5L231 C305 G306L231-P303 HydrophobicContact CD2-CG 4.31Å; P303-C305 VanDerWaalsContact C-N 3.26Å; P303-C305 PolarHBondContact O-N 2.96Å; P303-G306 PolarHBondContact O-N 3.01Å
304S93.7Very high95.5Very high90 Ų9047.4 Ų47.463%0.62928%0.278SS*.G310 helixtrans-71.8-17.4176.628.70000113.9S297 S302S297-S304 PolarHBondContact O-OG 3.33Å; S302-S304 VanDerWaalsContact C-N 3.26Å; S302-S304 PolarHBondContact O-N 3.47Å; S302-S304 PolarHBondContact OG-OG 3.48Å
305C95.4Very high95.6Very high42 Ų4250.1 Ų50.128%0.28429%0.291SS..G310 helixtrans-111.931.3178-60.70000112.1E298 R299 S302 P303 S310E298-C305 PolarHBondContact O-SG 3.24Å; E298-C305 VanDerWaalsContact O-SG 3.37Å; R299-C305 WeakPolarHBondContact O-CB 3.32Å; S302-C305 CarbonylContact O-C 3.58Å; S302-C305 WeakPolarHBondContact O-CA 3.44Å; S302-C305 PolarHBondContact O-N 3.41Å; S302-C305 WeakPolarHBondContact OG-CB 3.46Å; S302-C305 PolarHBondContact OG-N 2.81Å; S302-C305 VanDerWaalsContact OG-N 3.12Å; S302-C305 PolarHBondContact OG-SG 3.26Å; S302-C305 VanDerWaalsContact OG-SG 3.39Å; P303-C305 VanDerWaalsContact C-N 3.26Å; P303-C305 PolarHBondContact O-N 2.96Å; C305-S310 VanDerWaalsContact O-CB 3.31Å; C305-S310 WeakPolarHBondContact O-CB 3.42Å; C305-S310 PolarHBondContact O-OG 2.96Å
306G93.2Very high95.8Very high47 Ų4748.4 Ų48.449%0.48528%0.279SS..THydrogen-bonded Turntrans88.55.5173.800000115.9S302 P303 I309S302-G306 PolarHBondContact O-N 2.88Å; P303-G306 PolarHBondContact O-N 3.01Å; G306-I309 WeakPolarHBondContact O-CG2 3.42Å
307G93Very high96.1Very high17 Ų1747.3 Ų47.318%0.17527%0.272CS..  trans69.7-179.4179.100000113.7G301 S302 I309 S310G301-G307 WeakPolarHBondContact CA-O 3.39Å; G301-G307 CarbonylContact O-C 3.32Å; G301-G307 VanDerWaalsContact O-CA 3.28Å; G301-G307 WeakPolarHBondContact O-CA 3.49Å; S302-G307 WeakPolarHBondContact O-CA 3.5Å; S302-G307 PolarHBondContact O-N 3.3Å; G307-I309 PolarHBondContact O-N 3Å; G307-S310 WeakPolarHBondContact O-CB 3.41Å; G307-S310 PolarHBondContact O-N 3.01Å; G307-S310 PolarHBondContact O-OG 3.12Å
308S90.8Very high96.2Very high32 Ų3249 Ų4922%0.22428%0.283CS..Hα-helixtrans-54.7-30.4-176.6-54.60000113.9G301 S310 V311G301-S308 PolarHBondContact O-N 3.23Å; S308-S310 PolarHBondContact O-N 3.29Å; S308-V311 WeakPolarHBondContact O-CB 3.13Å; S308-V311 PolarHBondContact O-N 2.84Å
309I95.4Very high96.1Very high101 Ų10148.6 Ų48.652%0.51828%0.281SS..Hα-helixtrans-62-27.9177.2-161.6165.9000112.9G306 G307 V311 R312 Q313G306-I309 WeakPolarHBondContact O-CG2 3.42Å; G307-I309 PolarHBondContact O-N 3Å; I309-V311 VanDerWaalsContact C-N 3.28Å; I309-V311 PolarHBondContact O-N 2.93Å; I309-R312 WeakPolarHBondContact O-CB 3.29Å; I309-R312 PolarHBondContact O-N 3.29Å; I309-Q313 HydrophobicContact CG1-CG 4.3Å; I309-Q313 WeakPolarHBondContact O-CG 3.29Å; I309-Q313 PolarHBondContact O-N 2.95Å
310S97.6Very high96.1Very high17 Ų1749.7 Ų49.712%0.11929%0.287CS..Hα-helixtrans-68.7-27.9179.573.50000112.7L300 G301 C305 G307 S308 H314L300-S310 VanDerWaalsContact CD1-OG 3.24Å; L300-S310 WeakPolarHBondContact CD1-OG 3.41Å; G301-S310 PolarHBondContact N-OG 3.43Å; C305-S310 VanDerWaalsContact O-CB 3.31Å; C305-S310 WeakPolarHBondContact O-CB 3.42Å; C305-S310 PolarHBondContact O-OG 2.96Å; G307-S310 WeakPolarHBondContact O-CB 3.41Å; G307-S310 PolarHBondContact O-N 3.01Å; G307-S310 PolarHBondContact O-OG 3.12Å; S308-S310 PolarHBondContact O-N 3.29Å; S310-H314 PolarHBondContact O-N 3.14Å
311V98.2Very high96Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-65.5-46.2171.9-172.70000109.8L150 F237 F240 L291 L300 S308 I309 Q313 H314 F317L150-V311 HydrophobicContact CD1-CB 4.28Å; L150-V311 HydrophobicContact CD1-CG1 3.85Å; L150-V311 HydrophobicContact CD2-CB 4.28Å; L150-V311 HydrophobicContact CD2-CG1 3.83Å; F237-V311 HydrophobicContact CD2-CG2 4.21Å; F237-V311 HydrophobicContact CE1-CG2 4.44Å; F237-V311 HydrophobicContact CE2-CG2 3.99Å; F237-V311 HydrophobicContact CZ-CG2 4.12Å; F240-V311 HydrophobicContact CD1-CG1 4.43Å; F240-V311 HydrophobicContact CE1-CG1 3.97Å; L291-V311 HydrophobicContact CD2-CG1 4.34Å; L291-V311 HydrophobicContact CD2-CG2 4.35Å; L300-V311 HydrophobicContact CD2-CG2 4.28Å; L300-V311 HydrophobicContact CG-CG2 4Å; S308-V311 WeakPolarHBondContact O-CB 3.13Å; S308-V311 PolarHBondContact O-N 2.84Å; I309-V311 VanDerWaalsContact C-N 3.28Å; I309-V311 PolarHBondContact O-N 2.93Å; V311-Q313 VanDerWaalsContact C-N 3.33Å; V311-Q313 PolarHBondContact O-N 3.22Å; V311-H314 VanDerWaalsContact O-CB 3.28Å; V311-H314 WeakPolarHBondContact O-CB 3.49Å; V311-H314 PolarHBondContact O-N 3.2Å; V311-F317 HydrophobicContact CG1-CE2 4.49Å; V311-F317 VanDerWaalsContact O-CD2 3.29Å; V311-F317 WeakPolarHBondContact O-CD2 3.4Å; V311-F317 WeakPolarHBondContact O-CE2 3.31Å
312R97Very high96Very high79 Ų7957 Ų5730%0.29832%0.317SS..Hα-helixtrans-65.5-34179.1-172179.2169.6147.3-16.9112.9L150 I309 H314 W322L150-R312 HydrophobicContact CD2-CB 4.06Å; I309-R312 WeakPolarHBondContact O-CB 3.29Å; I309-R312 PolarHBondContact O-N 3.29Å; R312-H314 VanDerWaalsContact C-N 3.29Å; R312-W322 HydrophobicContact CB-CZ2 4.35Å; R312-W322 HydrophobicContact CG-CD2 3.96Å; R312-W322 VanDerWaalsContact CG-CE2 3.45Å; R312-W322 HydrophobicContact CG-CE3 4.32Å; R312-W322 HydrophobicContact CG-CH2 3.87Å; R312-W322 HydrophobicContact CG-CZ2 3.41Å; R312-W322 VanDerWaalsContact CG-CZ2 3.41Å; R312-W322 HydrophobicContact CG-CZ3 4.27Å; R312-W322 VanDerWaalsContact CZ-CG 3.48Å; R312-W322 VanDerWaalsContact NE-CD2 3.34Å; R312-W322 VanDerWaalsContact NH2-CG 3.32Å
313Q97.6Very high96Very high141 Ų14164 Ų6466%0.65935%0.354SS*.THydrogen-bonded Turntrans-81.6-3.4179.2-72.2176.4-16.400114I309 V311I309-Q313 HydrophobicContact CG1-CG 4.3Å; I309-Q313 WeakPolarHBondContact O-CG 3.29Å; I309-Q313 PolarHBondContact O-N 2.95Å; V311-Q313 VanDerWaalsContact C-N 3.33Å; V311-Q313 PolarHBondContact O-N 3.22Å
314H98.6Very high96.1Very high14 Ų1463.7 Ų63.77%0.06535%0.347CS..SBendtrans-60.4144.9179-164.9-90.9000112D286 L287 S310 V311 R312 F316 F317D286-H314 IonicContact OD2-CE1 2.76Å; D286-H314 PolarHBondContact OD2-CE1 3.04Å; D286-H314 VanDerWaalsContact OD2-CE1 3.32Å; D286-H314 IonicContact OD2-NE2 2.8Å; D286-H314 PolarHBondContact OD2-NE2 3.02Å; L287-H314 VanDerWaalsContact CB-CE1 3.46Å; L287-H314 WeakPolarHBondContact CB-CE1 3.4Å; L287-H314 HydrophobicContact CD1-CB 4.02Å; L287-H314 PolarHBondContact N-CE1 3.34Å; S310-H314 PolarHBondContact O-N 3.14Å; V311-H314 VanDerWaalsContact O-CB 3.28Å; V311-H314 WeakPolarHBondContact O-CB 3.49Å; V311-H314 PolarHBondContact O-N 3.2Å; R312-H314 VanDerWaalsContact C-N 3.29Å; H314-F316 WeakPolarHBondContact ND1-CB 3.34Å; H314-F316 PolarHBondContact ND1-N 3.14Å; H314-F316 PolarHBondContact O-N 2.8Å; H314-F317 HydrophobicContact CB-CD2 4.3Å; H314-F317 PolarHBondContact O-N 3.42Å
315M98.2Very high96.2Very high120 Ų12059.5 Ų59.559%0.59132%0.317SS*.G310 helixtrans-53.2-30-178.5-175.761.572.300113.3I283 F317 S318I283-M315 HydrophobicContact CD1-CG 4.27Å; I283-M315 HydrophobicContact CG2-CB 3.93Å; I283-M315 HydrophobicContact CG2-CG 3.86Å; M315-F317 PolarHBondContact O-N 3.44Å; M315-S318 VanDerWaalsContact O-CB 3.27Å; M315-S318 WeakPolarHBondContact O-CB 3.43Å; M315-S318 PolarHBondContact O-N 3.17Å; M315-S318 VanDerWaalsContact O-N 3.09Å; M315-S318 PolarHBondContact O-OG 3.47Å
316F98.6Very high96.2Very high1 Ų158.9 Ų58.90%0.00431%0.312CS..G310 helixtrans-55.7-31.1176-175.1-108.4000113.1V139 T142 R143 A146 I244 I283 A284 L287 H314V139-F316 HydrophobicContact CG1-CE2 3.83Å; T142-F316 HydrophobicContact CG2-CZ 4.18Å; R143-F316 HydrophobicContact CB-CE1 4.02Å; R143-F316 HydrophobicContact CB-CE2 4.43Å; R143-F316 HydrophobicContact CB-CZ 3.83Å; R143-F316 WeakPolarHBondContact CD-O 3.25Å; R143-F316 HydrophobicContact CG-CD1 4.45Å; R143-F316 HydrophobicContact CG-CE1 4.18Å; R143-F316 HydrophobicContact CG-CZ 4.37Å; R143-F316 VanDerWaalsContact CG-O 3.29Å; R143-F316 WeakPolarHBondContact CG-O 3.29Å; R143-F316 PolarHBondContact NE-O 3.42Å; A146-F316 HydrophobicContact CB-CE1 4.26Å; I244-F316 HydrophobicContact CG2-CZ 4.44Å; I283-F316 VanDerWaalsContact CG2-CA 3.5Å; I283-F316 HydrophobicContact CG2-CB 3.96Å; I283-F316 HydrophobicContact CG2-CD2 4.41Å; A284-F316 HydrophobicContact CB-CD2 3.78Å; A284-F316 HydrophobicContact CB-CE2 3.57Å; A284-F316 HydrophobicContact CB-CZ 4.47Å; L287-F316 HydrophobicContact CB-CB 4.32Å; L287-F316 HydrophobicContact CD2-CB 3.74Å; L287-F316 HydrophobicContact CD2-CD1 3.47Å; L287-F316 VanDerWaalsContact CD2-CD1 3.47Å; L287-F316 HydrophobicContact CD2-CE1 4.28Å; L287-F316 HydrophobicContact CD2-CG 3.76Å; H314-F316 WeakPolarHBondContact ND1-CB 3.34Å; H314-F316 PolarHBondContact ND1-N 3.14Å; H314-F316 PolarHBondContact O-N 2.8Å
317F98.5Very high96.2Very high4 Ų465.8 Ų65.82%0.01833%0.325CS..G310 helixtrans-101.912.2179.9-57.4-70.1000114.1R143 A146 A147 L150 F240 L287 V311 H314 M315 E319 I320 W322R143-F317 HydrophobicContact CG-CD1 4.41Å; A146-F317 HydrophobicContact CB-CE1 3.93Å; A146-F317 HydrophobicContact CB-CZ 4.22Å; A147-F317 HydrophobicContact CB-CD1 4.12Å; A147-F317 HydrophobicContact CB-CE1 4.19Å; L150-F317 HydrophobicContact CD2-CE2 4.1Å; L150-F317 HydrophobicContact CD2-CZ 4.3Å; F240-F317 HydrophobicContact CE1-CZ 4.18Å; F240-F317 AromaticContact CZ-CZ 3.88Å; F240-F317 HydrophobicContact CZ-CZ 3.88Å; L287-F317 HydrophobicContact CD2-CE2 3.74Å; L287-F317 HydrophobicContact CD2-CZ 4.01Å; V311-F317 HydrophobicContact CG1-CE2 4.49Å; V311-F317 VanDerWaalsContact O-CD2 3.29Å; V311-F317 WeakPolarHBondContact O-CD2 3.4Å; V311-F317 WeakPolarHBondContact O-CE2 3.31Å; H314-F317 HydrophobicContact CB-CD2 4.3Å; H314-F317 PolarHBondContact O-N 3.42Å; M315-F317 PolarHBondContact O-N 3.44Å; F317-E319 PolarHBondContact O-N 3.09Å; F317-E319 VanDerWaalsContact O-N 3.13Å; F317-I320 HydrophobicContact CB-CB 4.45Å; F317-I320 HydrophobicContact CB-CG1 4.22Å; F317-I320 HydrophobicContact CD1-CG1 4.11Å; F317-I320 WeakPolarHBondContact O-CB 3.31Å; F317-I320 PolarHBondContact O-N 3.38Å; F317-W322 HydrophobicContact CB-CZ2 3.63Å; F317-W322 HydrophobicContact CD1-CH2 4.13Å; F317-W322 HydrophobicContact CD1-CZ2 4.02Å; F317-W322 HydrophobicContact CD2-CZ2 4.37Å; F317-W322 HydrophobicContact CG-CH2 4.23Å; F317-W322 AromaticContact CG-CZ2 3.77Å; F317-W322 HydrophobicContact CG-CZ2 3.77Å
318S96.9Very high96.2Very high81 Ų8167.4 Ų67.457%0.56633%0.328SS*.THydrogen-bonded Turntrans-57.2-28.9-177.753.70000114.2M315M315-S318 VanDerWaalsContact O-CB 3.27Å; M315-S318 WeakPolarHBondContact O-CB 3.43Å; M315-S318 PolarHBondContact O-N 3.17Å; M315-S318 VanDerWaalsContact O-N 3.09Å; M315-S318 PolarHBondContact O-OG 3.47Å
319E94.7Very high96.3Very high124 Ų12474.4 Ų74.458%0.57936%0.358SS*.THydrogen-bonded Turntrans-87-7.6178.3-63.2177.2168.800113.9R143 F317R143-E319 IonicContact CZ-OE2 2.86Å; R143-E319 IonicContact NE-OE2 3.45Å; R143-E319 IonicContact NH1-OE2 3.89Å; R143-E319 PolarHBondContact NH1-OE2 2.8Å; F317-E319 PolarHBondContact O-N 3.09Å; F317-E319 VanDerWaalsContact O-N 3.13Å
320I97.1Very high96.1Very high23 Ų2370.4 Ų70.412%0.11834%0.338CS..  trans-79.9125.4-175.2-64.5-60.6000110.8R143 A147 F317 W322 L325R143-I320 HydrophobicContact CG-CD1 3.92Å; R143-I320 HydrophobicContact CG-CG1 3.99Å; A147-I320 HydrophobicContact CB-CD1 4.03Å; A147-I320 HydrophobicContact CB-CG1 3.94Å; A147-I320 HydrophobicContact CB-CG2 3.93Å; F317-I320 HydrophobicContact CB-CB 4.45Å; F317-I320 HydrophobicContact CB-CG1 4.22Å; F317-I320 HydrophobicContact CD1-CG1 4.11Å; F317-I320 WeakPolarHBondContact O-CB 3.31Å; F317-I320 PolarHBondContact O-N 3.38Å; I320-W322 HydrophobicContact CB-CZ2 4.31Å; I320-W322 HydrophobicContact CG2-CD2 3.61Å; I320-W322 HydrophobicContact CG2-CE3 4.06Å; I320-W322 HydrophobicContact CG2-CG 3.9Å; I320-W322 HydrophobicContact CG2-CH2 4.41Å; I320-W322 HydrophobicContact CG2-CZ2 4.03Å; I320-W322 HydrophobicContact CG2-CZ3 4.44Å; I320-W322 PolarHBondContact O-N 3.21Å; I320-L325 HydrophobicContact CG2-CD1 4.41Å; I320-L325 HydrophobicContact CG2-CD2 4.47Å
321K96.3Very high95.7Very high135 Ų13570.6 Ų70.659%0.58734%0.339SS*.  trans-92.277.7173.2-62.8-178.7179.4178.60110.1D323 I324 L325 Q328K321-D323 VanDerWaalsContact C-N 3.3Å; K321-D323 PolarHBondContact O-N 3.35Å; K321-D323 VanDerWaalsContact O-N 3.16Å; K321-I324 HydrophobicContact CB-CD1 4Å; K321-I324 HydrophobicContact CB-CG1 3.65Å; K321-I324 HydrophobicContact CD-CD1 3.84Å; K321-I324 HydrophobicContact CD-CG1 4.43Å; K321-I324 WeakPolarHBondContact O-CG1 3.46Å; K321-I324 PolarHBondContact O-N 2.92Å; K321-I324 VanDerWaalsContact O-N 3.13Å; K321-L325 PolarHBondContact O-N 3.47Å; K321-Q328 PolarHBondContact O-OE1 2.87Å
322W96.6Very high94.8Very high41 Ų4178 Ų7816%0.15538%0.378CS..G310 helixtrans-52.8-39.6-170.9-62.995000115.6A147 L150 T151 R312 F317 I320 I324 L325A147-W322 HydrophobicContact CB-CH2 3.71Å; A147-W322 HydrophobicContact CB-CZ2 4.45Å; A147-W322 HydrophobicContact CB-CZ3 3.84Å; A147-W322 WeakPolarHBondContact O-CZ3 3.33Å; L150-W322 HydrophobicContact CB-CH2 4.48Å; L150-W322 HydrophobicContact CD2-CH2 3.83Å; T151-W322 WeakPolarHBondContact OG1-CZ3 3.48Å; R312-W322 HydrophobicContact CB-CZ2 4.35Å; R312-W322 HydrophobicContact CG-CD2 3.96Å; R312-W322 VanDerWaalsContact CG-CE2 3.45Å; R312-W322 HydrophobicContact CG-CE3 4.32Å; R312-W322 HydrophobicContact CG-CH2 3.87Å; R312-W322 HydrophobicContact CG-CZ2 3.41Å; R312-W322 VanDerWaalsContact CG-CZ2 3.41Å; R312-W322 HydrophobicContact CG-CZ3 4.27Å; R312-W322 VanDerWaalsContact CZ-CG 3.48Å; R312-W322 VanDerWaalsContact NE-CD2 3.34Å; R312-W322 VanDerWaalsContact NH2-CG 3.32Å; F317-W322 HydrophobicContact CB-CZ2 3.63Å; F317-W322 HydrophobicContact CD1-CH2 4.13Å; F317-W322 HydrophobicContact CD1-CZ2 4.02Å; F317-W322 HydrophobicContact CD2-CZ2 4.37Å; F317-W322 HydrophobicContact CG-CH2 4.23Å; F317-W322 AromaticContact CG-CZ2 3.77Å; F317-W322 HydrophobicContact CG-CZ2 3.77Å; I320-W322 HydrophobicContact CB-CZ2 4.31Å; I320-W322 HydrophobicContact CG2-CD2 3.61Å; I320-W322 HydrophobicContact CG2-CE3 4.06Å; I320-W322 HydrophobicContact CG2-CG 3.9Å; I320-W322 HydrophobicContact CG2-CH2 4.41Å; I320-W322 HydrophobicContact CG2-CZ2 4.03Å; I320-W322 HydrophobicContact CG2-CZ3 4.44Å; I320-W322 PolarHBondContact O-N 3.21Å; W322-I324 PolarHBondContact O-N 3.47Å; W322-L325 HydrophobicContact CE3-CD2 4.14Å; W322-L325 HydrophobicContact CZ3-CD2 4.31Å; W322-L325 WeakPolarHBondContact O-CB 3.32Å; W322-L325 PolarHBondContact O-N 3.33Å
323D95Very high94Very high147 Ų14775.3 Ų75.379%0.78637%0.369SS*.G310 helixtrans-65.5-26.5-175.8-58.9-32.9000113.1K321K321-D323 VanDerWaalsContact C-N 3.3Å; K321-D323 PolarHBondContact O-N 3.35Å; K321-D323 VanDerWaalsContact O-N 3.16Å
324I95.9Very high92.7Very high82 Ų8270.9 Ų70.942%0.42135%0.351SS..G310 helixtrans-111.5-0.7179.362.5164.9000112.8K321 W322 P326 Y327 Q328K321-I324 HydrophobicContact CB-CD1 4Å; K321-I324 HydrophobicContact CB-CG1 3.65Å; K321-I324 HydrophobicContact CD-CD1 3.84Å; K321-I324 HydrophobicContact CD-CG1 4.43Å; K321-I324 WeakPolarHBondContact O-CG1 3.46Å; K321-I324 PolarHBondContact O-N 2.92Å; K321-I324 VanDerWaalsContact O-N 3.13Å; W322-I324 PolarHBondContact O-N 3.47Å; I324-P326 VanDerWaalsContact C-N 3.29Å; I324-P326 VanDerWaalsContact O-N 3.15Å; I324-Y327 CarbonylContact O-C 3.6Å; I324-Y327 WeakPolarHBondContact O-CA 3.32Å; I324-Y327 PolarHBondContact O-N 2.8Å; I324-Q328 HydrophobicContact CD1-CG 3.96Å; I324-Q328 HydrophobicContact CG1-CG 3.86Å; I324-Q328 WeakPolarHBondContact O-CG 3.27Å; I324-Q328 PolarHBondContact O-N 3.01Å
325L96.3Very high91.3Very high1 Ų171.4 Ų71.41%0.00536%0.356CS..G310 helixtrans-46.3-44.7-176.7177.966.8000113.2F101 F144 A147 E148 I320 K321 W322 Y327 Q328F101-L325 HydrophobicContact CE2-CD2 4.33Å; F101-L325 HydrophobicContact CZ-CG 4.33Å; F144-L325 HydrophobicContact CD2-CD1 4.13Å; F144-L325 HydrophobicContact CE2-CD1 3.77Å; F144-L325 HydrophobicContact CZ-CD1 4.17Å; A147-L325 HydrophobicContact CB-CD1 4.48Å; A147-L325 HydrophobicContact CB-CD2 3.87Å; E148-L325 HydrophobicContact CG-CD1 4.24Å; E148-L325 HydrophobicContact CG-CD2 4.13Å; E148-L325 HydrophobicContact CG-CG 4.18Å; I320-L325 HydrophobicContact CG2-CD1 4.41Å; I320-L325 HydrophobicContact CG2-CD2 4.47Å; K321-L325 PolarHBondContact O-N 3.47Å; W322-L325 HydrophobicContact CE3-CD2 4.14Å; W322-L325 HydrophobicContact CZ3-CD2 4.31Å; W322-L325 WeakPolarHBondContact O-CB 3.32Å; W322-L325 PolarHBondContact O-N 3.33Å; L325-Y327 PolarHBondContact O-N 3.22Å; L325-Y327 VanDerWaalsContact O-N 3.09Å; L325-Q328 PolarHBondContact O-N 3Å
326P93.9Very high89.9Confident29 Ų2967.6 Ų67.619%0.18834%0.338CS..G310 helixtrans-66.1-11.8178.6-18.532.5000115.4I100 F101 I324I100-P326 HydrophobicContact CD1-CB 3.61Å; I100-P326 HydrophobicContact CG2-CB 4.07Å; I100-P326 HydrophobicContact CG2-CG 4.24Å; F101-P326 HydrophobicContact CE1-CB 4.5Å; F101-P326 HydrophobicContact CE2-CG 4.25Å; F101-P326 HydrophobicContact CZ-CB 3.99Å; F101-P326 HydrophobicContact CZ-CG 3.99Å; I324-P326 VanDerWaalsContact C-N 3.29Å; I324-P326 VanDerWaalsContact O-N 3.15Å
327Y93.7Very high87.9Confident192 Ų19269.7 Ų69.775%0.75335%0.349SS*.G310 helixtrans-115.2-4-179.5-47.6-67.9000112.6I324 L325I324-Y327 CarbonylContact O-C 3.6Å; I324-Y327 WeakPolarHBondContact O-CA 3.32Å; I324-Y327 PolarHBondContact O-N 2.8Å; L325-Y327 PolarHBondContact O-N 3.22Å; L325-Y327 VanDerWaalsContact O-N 3.09Å
328Q93.1Very high85.4Confident52 Ų5277.4 Ų77.424%0.24339%0.385CS..SBendtrans-73.9138174.7-67.5-170.5-87.300109.5F144 H178 K321 I324 L325 P330F144-Q328 HydrophobicContact CE2-CB 4.1Å; H178-Q328 PolarHBondContact CE1-O 3.21Å; H178-Q328 PolarHBondContact NE2-O 2.81Å; K321-Q328 PolarHBondContact O-OE1 2.87Å; I324-Q328 HydrophobicContact CD1-CG 3.96Å; I324-Q328 HydrophobicContact CG1-CG 3.86Å; I324-Q328 WeakPolarHBondContact O-CG 3.27Å; I324-Q328 PolarHBondContact O-N 3.01Å; L325-Q328 PolarHBondContact O-N 3Å; Q328-P330 VanDerWaalsContact O-CD 3.27Å; Q328-P330 WeakPolarHBondContact O-CD 3.45Å
329E92.2Very high82.6Confident179 Ų17974.9 Ų74.984%0.83637%0.367SS*.PPolyproline II helixtrans-63.7122.5171.3-172.9174.8-171.300109.8
330P92.7Very high80.1Confident17 Ų1773.9 Ų73.911%0.1137%0.365CS..PPolyproline II helixtrans-60.8143.8176.6-26.837.8000111.9F144 K176 M177 Q328F144-P330 HydrophobicContact CD1-CB 4.19Å; F144-P330 HydrophobicContact CE1-CB 3.53Å; F144-P330 HydrophobicContact CE1-CG 3.72Å; F144-P330 HydrophobicContact CZ-CB 3.86Å; F144-P330 HydrophobicContact CZ-CG 3.77Å; K176-P330 WeakPolarHBondContact O-CD 3.38Å; K176-P330 WeakPolarHBondContact O-CG 3.42Å; M177-P330 HydrophobicContact CB-CB 3.98Å; M177-P330 HydrophobicContact CB-CG 4.13Å; Q328-P330 VanDerWaalsContact O-CD 3.27Å; Q328-P330 WeakPolarHBondContact O-CD 3.45Å
331P88.1Confident77.4Confident21 Ų2174.7 Ų74.714%0.13638%0.375CS..PPolyproline II helixtrans-66.9146.2-179.928.6-34.8000111.1F144 L333F144-P331 HydrophobicContact CB-CG 3.76Å; F144-P331 HydrophobicContact CD1-CG 4.38Å; F144-P331 HydrophobicContact CG-CG 3.97Å; P331-L333 PolarHBondContact O-N 3.34Å
332L80.8Confident74.6Confident156 Ų15671.2 Ų71.282%0.81737%0.366SS*.PPolyproline II helixtrans-54.9125.6169.4-67.7178000109.6C141 V334C141-L332 PolarHBondContact SG-O 3.33Å; L332-V334 PolarHBondContact O-N 3.36Å; L332-V334 VanDerWaalsContact O-N 3.13Å
333L78.3Confident71.8Confident21 Ų2179 Ų7911%0.1140%0.404CS..  trans-64.1115177.8-69.2173.8000109.9Y130 F134 L137 C141 Y145 M177 P331Y130-L333 HydrophobicContact CD1-CD1 3.35Å; Y130-L333 HydrophobicContact CE1-CD1 4.02Å; Y130-L333 HydrophobicContact CG-CD1 3.65Å; F134-L333 HydrophobicContact CD2-CB 4.12Å; F134-L333 VanDerWaalsContact CE1-O 3.3Å; F134-L333 WeakPolarHBondContact CE1-O 3.43Å; F134-L333 HydrophobicContact CE2-CB 3.44Å; F134-L333 VanDerWaalsContact CE2-CB 3.44Å; F134-L333 HydrophobicContact CE2-CD1 4.12Å; F134-L333 HydrophobicContact CE2-CG 4.41Å; F134-L333 HydrophobicContact CZ-CB 3.78Å; F134-L333 WeakPolarHBondContact CZ-O 3.49Å; L137-L333 HydrophobicContact CD1-CD2 3.91Å; L137-L333 HydrophobicContact CD2-CD2 3.99Å; C141-L333 HydrophobicContact CB-CD2 4.39Å; Y145-L333 HydrophobicContact CD2-CD2 4.16Å; Y145-L333 HydrophobicContact CE2-CD2 3.3Å; Y145-L333 HydrophobicContact CE2-CG 4.34Å; M177-L333 HydrophobicContact CE-CD1 3.46Å; M177-L333 VanDerWaalsContact CE-CD1 3.46Å; M177-L333 HydrophobicContact CE-CG 4.15Å; P331-L333 PolarHBondContact O-N 3.34Å
334V72Confident69.5Low48 Ų4874.1 Ų74.129%0.29139%0.389SS..  trans-129.3147.4177.5-66.30000110.2L137 S138 L332L137-V334 CarbonylContact C-O 3.45Å; L137-V334 WeakPolarHBondContact CA-O 3.32Å; S138-V334 PolarHBondContact N-O 2.9Å; S138-V334 WeakPolarHBondContact OG-CG2 3.47Å; L332-V334 PolarHBondContact O-N 3.36Å; L332-V334 VanDerWaalsContact O-N 3.13Å
335P68.6Low67Low26 Ų2673 Ų7317%0.16938%0.379CS..  trans-69151.6179.728.9-34000112.7F134 S136 Y465F134-P335 HydrophobicContact CB-CB 4.48Å; S136-P335 VanDerWaalsContact O-CA 3.27Å; S136-P335 WeakPolarHBondContact O-CA 3.15Å; P335-Y465 HydrophobicContact CG-CD1 4.5Å; P335-Y465 HydrophobicContact CG-CE1 4.06Å
336N68.8Low64.6Low39 Ų3978.3 Ų78.321%0.20941%0.408CS..SBendtrans-77.5-36.1178.2-160.437.5000113.5S136 L137 S138 V139 I248S136-N336 PolarHBondContact OG-N 3.33Å; L137-N336 VanDerWaalsContact O-CB 3.3Å; L137-N336 WeakPolarHBondContact O-CB 3.44Å; S138-N336 WeakPolarHBondContact CA-OD1 3.16Å; V139-N336 WeakPolarHBondContact CG2-OD1 3.33Å; V139-N336 PolarHBondContact N-OD1 3.06Å; I248-N336 WeakPolarHBondContact CG2-ND2 3.42Å; I248-N336 PolarHBondContact O-ND2 3.35Å; I248-N336 VanDerWaalsContact O-ND2 3.15Å
337L57.5Low62.4Low45 Ų4582.9 Ų82.924%0.23643%0.431CS..PPolyproline II helixtrans-85.3127.6-171.4-64.2171.8000110.9R407 L410L337-R407 VanDerWaalsContact O-CZ 3.29Å; L337-R407 PolarHBondContact O-NH1 2.8Å; L337-R407 PolarHBondContact O-NH2 3.36Å; L337-L410 HydrophobicContact CD1-CD2 4.28Å
338E44.2Very low59.9Low166 Ų16676.1 Ų76.178%0.77641%0.407SS*.PPolyproline II helixtrans-65.9152.6149.7-67.7-172175.900109.9I340 R407E338-I340 PolarHBondContact O-N 3.07Å; E338-I340 VanDerWaalsContact O-N 3.16Å; E338-R407 PolarHBondContact O-NH2 3.17Å
339P39.1Very low57.5Low29 Ų2976.3 Ų76.319%0.18841%0.413CS..PPolyproline II helixtrans-54.2122.8-177.7-18.327.7000111.8A341 L454 E467P339-A341 PolarHBondContact O-N 3.49Å; P339-L454 HydrophobicContact CB-CD2 4.34Å; P339-L454 HydrophobicContact CG-CD1 3.51Å; P339-L454 HydrophobicContact CG-CD2 3.01Å; P339-L454 HydrophobicContact CG-CG 3.5Å; P339-E467 HydrophobicContact CB-CB 4.36Å; P339-E467 VanDerWaalsContact CB-CD 3.42Å; P339-E467 HydrophobicContact CB-CG 4.21Å; P339-E467 WeakPolarHBondContact CB-OE2 3.39Å; P339-E467 HydrophobicContact CG-CB 4.35Å; P339-E467 HydrophobicContact CG-CG 4.26Å
340I42.8Very low55.3Low102 Ų10275.2 Ų75.252%0.52342%0.418SS..  trans-78.6107.6160.8-56.4170.9000104.9E338 P342E338-I340 PolarHBondContact O-N 3.07Å; E338-I340 VanDerWaalsContact O-N 3.16Å; I340-P342 WeakPolarHBondContact O-CD 3.38Å
341A38.8Very low53Low41 Ų4178 Ų7834%0.33945%0.449SS..  trans-70.2109.4153.700000108.1P339 W345P339-A341 PolarHBondContact O-N 3.49Å; A341-W345 VanDerWaalsContact CA-CD2 3.48Å; A341-W345 VanDerWaalsContact CA-CE2 3.46Å; A341-W345 HydrophobicContact CB-CB 4.27Å; A341-W345 HydrophobicContact CB-CD2 3.37Å; A341-W345 HydrophobicContact CB-CE3 3.13Å; A341-W345 HydrophobicContact CB-CG 3.9Å; A341-W345 HydrophobicContact CB-CH2 3.91Å; A341-W345 HydrophobicContact CB-CZ2 4.2Å; A341-W345 HydrophobicContact CB-CZ3 3.41Å; A341-W345 VanDerWaalsContact CB-CZ3 3.41Å
342P37.5Very low50.7Low61 Ų6181.6 Ų81.640%0.39646%0.463SS..  trans-44.2148.8172.2-26.810.5000114.4I340 G344 W345I340-P342 WeakPolarHBondContact O-CD 3.38Å; P342-G344 PolarHBondContact O-N 2.93Å; P342-W345 VanDerWaalsContact CB-NE1 3.26Å; P342-W345 HydrophobicContact CG-CZ2 4.01Å; P342-W345 VanDerWaalsContact N-NE1 3.12Å; P342-W345 VanDerWaalsContact O-CB 3.32Å; P342-W345 WeakPolarHBondContact O-CB 3.26Å; P342-W345 PolarHBondContact O-N 3.41Å
343E39.2Very low49Very low204 Ų20477.9 Ų77.995%0.95344%0.444SS*.THydrogen-bonded Turntrans-57.3137.3174.7-72.4176.4155.900111
344G45.9Very low47.6Very low45 Ų4584.7 Ų84.746%0.46448%0.475SS..THydrogen-bonded Turntrans86.611.7-17500000115.2P342 D346 N347P342-G344 PolarHBondContact O-N 2.93Å; G344-D346 VanDerWaalsContact C-N 3.28Å; G344-D346 PolarHBondContact O-N 3.13Å; G344-N347 WeakPolarHBondContact O-CB 3.47Å; G344-N347 PolarHBondContact O-N 3.23Å; G344-N347 PolarHBondContact O-ND2 3.13Å
345W43.6Very low46.2Very low58 Ų5885.5 Ų85.522%0.2249%0.488CS..THydrogen-bonded Turntrans-62.8-23.7-178.9-100.240000116.7A341 P342 N347 F405 A412 E467 P469A341-W345 VanDerWaalsContact CA-CD2 3.48Å; A341-W345 VanDerWaalsContact CA-CE2 3.46Å; A341-W345 HydrophobicContact CB-CB 4.27Å; A341-W345 HydrophobicContact CB-CD2 3.37Å; A341-W345 HydrophobicContact CB-CE3 3.13Å; A341-W345 HydrophobicContact CB-CG 3.9Å; A341-W345 HydrophobicContact CB-CH2 3.91Å; A341-W345 HydrophobicContact CB-CZ2 4.2Å; A341-W345 HydrophobicContact CB-CZ3 3.41Å; A341-W345 VanDerWaalsContact CB-CZ3 3.41Å; P342-W345 VanDerWaalsContact CB-NE1 3.26Å; P342-W345 HydrophobicContact CG-CZ2 4.01Å; P342-W345 VanDerWaalsContact N-NE1 3.12Å; P342-W345 VanDerWaalsContact O-CB 3.32Å; P342-W345 WeakPolarHBondContact O-CB 3.26Å; P342-W345 PolarHBondContact O-N 3.41Å; W345-N347 PolarHBondContact O-N 2.9Å; W345-F405 HydrophobicContact CD2-CD2 4.5Å; W345-F405 HydrophobicContact CD2-CE1 4.11Å; W345-F405 AromaticContact CD2-CE2 3.87Å; W345-F405 HydrophobicContact CD2-CE2 3.87Å; W345-F405 AromaticContact CD2-CZ 3.63Å; W345-F405 HydrophobicContact CD2-CZ 3.63Å; W345-F405 AromaticContact CE2-CD1 3.84Å; W345-F405 AromaticContact CE2-CE1 3.33Å; W345-F405 AromaticContact CE2-CE2 3.89Å; W345-F405 AromaticContact CE2-CZ 3.35Å; W345-F405 AromaticContact CE3-CD2 3.94Å; W345-F405 HydrophobicContact CE3-CD2 3.94Å; W345-F405 HydrophobicContact CE3-CE1 4.49Å; W345-F405 AromaticContact CE3-CE2 3.54Å; W345-F405 HydrophobicContact CE3-CE2 3.54Å; W345-F405 AromaticContact CE3-CZ 3.83Å; W345-F405 HydrophobicContact CE3-CZ 3.83Å; W345-F405 HydrophobicContact CG-CZ 4.42Å; W345-F405 HydrophobicContact CH2-CB 3.5Å; W345-F405 AromaticContact CH2-CD1 3.32Å; W345-F405 HydrophobicContact CH2-CD1 3.32Å; W345-F405 AromaticContact CH2-CD2 3.15Å; W345-F405 HydrophobicContact CH2-CD2 3.15Å; W345-F405 AromaticContact CH2-CE1 3.67Å; W345-F405 HydrophobicContact CH2-CE1 3.67Å; W345-F405 AromaticContact CH2-CE2 3.52Å; W345-F405 HydrophobicContact CH2-CE2 3.52Å; W345-F405 AromaticContact CH2-CG 3.01Å; W345-F405 HydrophobicContact CH2-CG 3.01Å; W345-F405 AromaticContact CH2-CZ 3.75Å; W345-F405 HydrophobicContact CH2-CZ 3.75Å; W345-F405 HydrophobicContact CZ2-CB 4.09Å; W345-F405 AromaticContact CZ2-CD1 3.03Å; W345-F405 HydrophobicContact CZ2-CD1 3.03Å; W345-F405 AromaticContact CZ2-CD2 3.7Å; W345-F405 HydrophobicContact CZ2-CD2 3.7Å; W345-F405 AromaticContact CZ2-CE1 3.06Å; W345-F405 HydrophobicContact CZ2-CE1 3.06Å; W345-F405 AromaticContact CZ2-CE2 3.73Å; W345-F405 HydrophobicContact CZ2-CE2 3.73Å; W345-F405 AromaticContact CZ2-CG 3.34Å; W345-F405 HydrophobicContact CZ2-CG 3.34Å; W345-F405 AromaticContact CZ2-CZ 3.42Å; W345-F405 HydrophobicContact CZ2-CZ 3.42Å; W345-F405 VanDerWaalsContact CZ2-CZ 3.42Å; W345-F405 HydrophobicContact CZ3-CB 4.3Å; W345-F405 HydrophobicContact CZ3-CD1 4.21Å; W345-F405 AromaticContact CZ3-CD2 3.25Å; W345-F405 HydrophobicContact CZ3-CD2 3.25Å; W345-F405 HydrophobicContact CZ3-CE1 4.3Å; W345-F405 AromaticContact CZ3-CE2 3.37Å; W345-F405 HydrophobicContact CZ3-CE2 3.37Å; W345-F405 AromaticContact CZ3-CG 3.69Å; W345-F405 HydrophobicContact CZ3-CG 3.69Å; W345-F405 AromaticContact CZ3-CZ 3.9Å; W345-F405 HydrophobicContact CZ3-CZ 3.9Å; W345-F405 AromaticContact NE1-CE1 3.74Å; W345-F405 AromaticContact NE1-CZ 3.86Å; W345-A412 HydrophobicContact CZ2-CB 4.37Å; W345-E467 VanDerWaalsContact CH2-OE2 3.3Å; W345-E467 WeakPolarHBondContact CH2-OE2 3.19Å; W345-E467 WeakPolarHBondContact CZ3-OE2 3.36Å; W345-P469 HydrophobicContact CE3-CB 4.22Å; W345-P469 HydrophobicContact CZ3-CB 4.34Å
346D46.1Very low45.2Very low113 Ų11388.3 Ų88.360%0.60450%0.498SS*.THydrogen-bonded Turntrans-76.3-10.8173-86.8-52.2000113.7G344 L348 K357G344-D346 VanDerWaalsContact C-N 3.28Å; G344-D346 PolarHBondContact O-N 3.13Å; D346-L348 PolarHBondContact O-N 3.34Å; D346-K357 VanDerWaalsContact O-CE 3.25Å; D346-K357 WeakPolarHBondContact O-CE 3.37Å; D346-K357 PolarHBondContact O-NZ 3.43Å; D346-K357 IonicContact OD1-NZ 3.77Å; D346-K357 PolarHBondContact OD1-NZ 3.48Å
347N47Very low44Very low125 Ų12589.2 Ų89.267%0.66850%0.5SS*.PPolyproline II helixtrans-75.2118.2-177.4-60.8-26.9000109.9G344 W345G344-N347 WeakPolarHBondContact O-CB 3.47Å; G344-N347 PolarHBondContact O-N 3.23Å; G344-N347 PolarHBondContact O-ND2 3.13Å; W345-N347 PolarHBondContact O-N 2.9Å
348L41.4Very low43.2Very low51 Ų5192 Ų9227%0.26751%0.508SS..PPolyproline II helixtrans-55140169.1-76.8155.7000110.1D346 F352 N353 E354 K357D346-L348 PolarHBondContact O-N 3.34Å; L348-F352 HydrophobicContact CB-CB 4.42Å; L348-F352 HydrophobicContact CD2-CB 3.79Å; L348-N353 WeakPolarHBondContact CD2-O 3.27Å; L348-E354 HydrophobicContact CD1-CG 3.94Å; L348-K357 HydrophobicContact CD2-CB 3.59Å; L348-K357 HydrophobicContact CD2-CD 4.17Å; L348-K357 HydrophobicContact CD2-CG 3.57Å; L348-K357 HydrophobicContact CG-CB 4.46Å; L348-K357 HydrophobicContact CG-CD 4.18Å; L348-K357 HydrophobicContact CG-CG 4.13Å
349P43.2Very low42.6Very low56 Ų5690.7 Ų90.736%0.36450%0.502SS..PPolyproline II helixtrans-57.5146.1166.2-1224.2000109.4G351 F352P349-G351 PolarHBondContact O-N 3.08Å; P349-G351 VanDerWaalsContact O-N 3.11Å; P349-F352 HydrophobicContact CB-CD2 3.63Å; P349-F352 HydrophobicContact CB-CE2 3.91Å; P349-F352 HydrophobicContact CG-CD2 3.82Å; P349-F352 HydrophobicContact CG-CE2 4.1Å; P349-F352 HydrophobicContact CG-CG 4.39Å; P349-F352 PolarHBondContact O-N 3.05Å
350V45.9Very low42.4Very low156 Ų15691.7 Ų91.795%0.94551%0.505SS*.THydrogen-bonded Turntrans-53.7121.2175.8179.40000109.1
351G43.3Very low42Very low74 Ų7488.9 Ų88.976%0.76350%0.495SS*.THydrogen-bonded Turntrans103.4-0.4-17800000116.2P349P349-G351 PolarHBondContact O-N 3.08Å; P349-G351 VanDerWaalsContact O-N 3.11Å
352F40.8Very low42.2Very low97 Ų9795.6 Ų95.643%0.42551%0.511SS..  trans-109135.5174.6-67.4-102.4000110.8L348 P349 E356L348-F352 HydrophobicContact CB-CB 4.42Å; L348-F352 HydrophobicContact CD2-CB 3.79Å; P349-F352 HydrophobicContact CB-CD2 3.63Å; P349-F352 HydrophobicContact CB-CE2 3.91Å; P349-F352 HydrophobicContact CG-CD2 3.82Å; P349-F352 HydrophobicContact CG-CE2 4.1Å; P349-F352 HydrophobicContact CG-CG 4.39Å; P349-F352 PolarHBondContact O-N 3.05Å; F352-E356 WeakPolarHBondContact CA-OE2 3.18Å; F352-E356 HydrophobicContact CD1-CB 4.28Å
353N46Very low42.5Very low78 Ų7898 Ų9842%0.41752%0.518SS..  trans-90.4166.5173.963.845.2000112.3L348 A355 E356 K357L348-N353 WeakPolarHBondContact CD2-O 3.27Å; N353-A355 PolarHBondContact O-N 3.42Å; N353-A355 WeakPolarHBondContact OD1-CB 3.15Å; N353-A355 PolarHBondContact OD1-N 3.26Å; N353-E356 VanDerWaalsContact CG-CD 3.42Å; N353-E356 PolarHBondContact N-OE2 3.35Å; N353-E356 PolarHBondContact ND2-OE1 2.86Å; N353-E356 PolarHBondContact ND2-OE2 2.88Å; N353-E356 WeakPolarHBondContact O-CA 3.21Å; N353-E356 WeakPolarHBondContact O-CB 3.2Å; N353-E356 PolarHBondContact O-N 2.83Å; N353-E356 WeakPolarHBondContact OD1-CB 3.35Å; N353-E356 WeakPolarHBondContact OD1-CG 3.5Å; N353-E356 PolarHBondContact OD1-N 3.4Å; N353-E356 PolarHBondContact OD1-OE2 3.43Å; N353-K357 PolarHBondContact O-N 3.47Å; N353-K357 VanDerWaalsContact O-N 3.1Å
354E48Very low42.9Very low164 Ų16490.1 Ų90.177%0.76648%0.482SS*.THydrogen-bonded Turntrans-59.7-30.8-179.7-80.7-171158.400113.6L348 E356 K357L348-E354 HydrophobicContact CD1-CG 3.94Å; E354-E356 VanDerWaalsContact C-N 3.34Å; E354-K357 VanDerWaalsContact O-CB 3.23Å; E354-K357 WeakPolarHBondContact O-CB 3.36Å; E354-K357 PolarHBondContact O-N 3.44Å
355A43.4Very low42.8Very low66 Ų6691 Ų9155%0.54549%0.491SS..THydrogen-bonded Turntrans-67.3-36.6173.800000111.2N353 K357 H359N353-A355 PolarHBondContact O-N 3.42Å; N353-A355 WeakPolarHBondContact OD1-CB 3.15Å; N353-A355 PolarHBondContact OD1-N 3.26Å; A355-K357 VanDerWaalsContact C-N 3.33Å; A355-K357 PolarHBondContact O-N 3.3Å; A355-H359 PolarHBondContact O-CD2 2.85Å
356E45.9Very low42.9Very low84 Ų8491.3 Ų91.339%0.39350%0.497SS..THydrogen-bonded Turntrans-78.4-12.6177.7-71159.8176.100113.9F352 N353 E354 Y358F352-E356 WeakPolarHBondContact CA-OE2 3.18Å; F352-E356 HydrophobicContact CD1-CB 4.28Å; N353-E356 VanDerWaalsContact CG-CD 3.42Å; N353-E356 PolarHBondContact N-OE2 3.35Å; N353-E356 PolarHBondContact ND2-OE1 2.86Å; N353-E356 PolarHBondContact ND2-OE2 2.88Å; N353-E356 WeakPolarHBondContact O-CA 3.21Å; N353-E356 WeakPolarHBondContact O-CB 3.2Å; N353-E356 PolarHBondContact O-N 2.83Å; N353-E356 WeakPolarHBondContact OD1-CB 3.35Å; N353-E356 WeakPolarHBondContact OD1-CG 3.5Å; N353-E356 PolarHBondContact OD1-N 3.4Å; N353-E356 PolarHBondContact OD1-OE2 3.43Å; E354-E356 VanDerWaalsContact C-N 3.34Å; E356-Y358 PolarHBondContact O-N 3.4Å
357K43.9Very low43.2Very low59 Ų5988.3 Ų88.326%0.25748%0.484SS..THydrogen-bonded Turntrans-50-36.1-176.7-161.2169.1173.9-178.20112.6D346 L348 N353 E354 A355D346-K357 VanDerWaalsContact O-CE 3.25Å; D346-K357 WeakPolarHBondContact O-CE 3.37Å; D346-K357 PolarHBondContact O-NZ 3.43Å; D346-K357 IonicContact OD1-NZ 3.77Å; D346-K357 PolarHBondContact OD1-NZ 3.48Å; L348-K357 HydrophobicContact CD2-CB 3.59Å; L348-K357 HydrophobicContact CD2-CD 4.17Å; L348-K357 HydrophobicContact CD2-CG 3.57Å; L348-K357 HydrophobicContact CG-CB 4.46Å; L348-K357 HydrophobicContact CG-CD 4.18Å; L348-K357 HydrophobicContact CG-CG 4.13Å; N353-K357 PolarHBondContact O-N 3.47Å; N353-K357 VanDerWaalsContact O-N 3.1Å; E354-K357 VanDerWaalsContact O-CB 3.23Å; E354-K357 WeakPolarHBondContact O-CB 3.36Å; E354-K357 PolarHBondContact O-N 3.44Å; A355-K357 VanDerWaalsContact C-N 3.33Å; A355-K357 PolarHBondContact O-N 3.3Å
358Y40.9Very low43.5Very low102 Ų10282.9 Ų82.940%0.446%0.456SS..THydrogen-bonded Turntrans-132.4-4.6-174.3-56-64000114.6E356 L360 S361 S470E356-Y358 PolarHBondContact O-N 3.4Å; Y358-L360 PolarHBondContact O-N 2.82Å; Y358-S361 PolarHBondContact O-N 3.38Å; Y358-S470 VanDerWaalsContact CE1-CB 3.44Å
359H31.7Very low44.3Very low139 Ų13985 Ų8564%0.64448%0.475SS*.THydrogen-bonded Turntrans-68.92.4178-89.3-39.3000115.5A355 S361 R362A355-H359 PolarHBondContact O-CD2 2.85Å; H359-S361 PolarHBondContact O-N 3.4Å; H359-R362 PolarHBondContact O-N 3.18Å
360L36.2Very low45.2Very low50 Ų5087.9 Ų87.926%0.26248%0.484SS..THydrogen-bonded Turntrans-71.7-16.6171.3-80.3159.4000113.1Y358 R362 Q401 M416Y358-L360 PolarHBondContact O-N 2.82Å; L360-R362 PolarHBondContact O-N 3.16Å; L360-Q401 CarbonylContact C-O 3.44Å; L360-Q401 CarbonylContact O-C 3.58Å; L360-Q401 WeakPolarHBondContact O-CG 3.32Å; L360-M416 HydrophobicContact CD1-CE 3.85Å; L360-M416 HydrophobicContact CD2-CE 4.26Å; L360-M416 HydrophobicContact CG-CE 4.46Å
361S34.4Very low46.3Very low43 Ų4382 Ų8230%0.30145%0.447SS..  trans-72.563.9157.9-177.30000110.1Y358 H359 E363 K400 Q401Y358-S361 PolarHBondContact O-N 3.38Å; H359-S361 PolarHBondContact O-N 3.4Å; S361-E363 PolarHBondContact O-N 3.44Å; S361-K400 PolarHBondContact OG-NZ 3.39Å; S361-Q401 WeakPolarHBondContact CA-O 3.43Å; S361-Q401 PolarHBondContact N-O 3.09Å
362R42.7Very low48Very low182 Ų18282 Ų8269%0.68743%0.431SS*.  trans-67.892.6159.1-101.1-178.580.9173.45.6106H359 L360 L364H359-R362 PolarHBondContact O-N 3.18Å; L360-R362 PolarHBondContact O-N 3.16Å; R362-L364 PolarHBondContact O-N 3.32Å
363E43.7Very low50Low113 Ų11382.6 Ų82.653%0.52844%0.436SS..  trans-54.1124.7157.2-64.6-176.8175.500107S361 G365S361-E363 PolarHBondContact O-N 3.44Å; E363-G365 PolarHBondContact O-N 3.01Å
364L46.8Very low51.8Low37 Ų3785 Ų8519%0.19445%0.449CS..  trans-69.899.2132.1-68.1167.5000102.9R362 L366 I371 L379 L397R362-L364 PolarHBondContact O-N 3.32Å; L364-L366 PolarHBondContact O-N 3.14Å; L364-I371 HydrophobicContact CD1-CD1 4.17Å; L364-L379 HydrophobicContact CD1-CD1 3.72Å; L364-L379 HydrophobicContact CD2-CD1 3.43Å; L364-L379 VanDerWaalsContact CD2-CD1 3.43Å; L364-L379 HydrophobicContact CD2-CD2 3.54Å; L364-L379 HydrophobicContact CD2-CG 4.08Å; L364-L379 HydrophobicContact CG-CD1 4.22Å; L364-L397 HydrophobicContact CD1-CD1 4.44Å; L364-L397 HydrophobicContact CD1-CD2 4.02Å; L364-L397 HydrophobicContact CD1-CG 4.32Å
365G44.8Very low53.3Low64 Ų6478.9 Ų78.966%0.6642%0.421SS*.  trans-63.923.8174.600000113.1E363E363-G365 PolarHBondContact O-N 3.01Å
366L45.1Very low55.2Low65 Ų6578.8 Ų78.834%0.3441%0.407SS..SBendtrans-101.5123.4174.4-64.6175.7000106L364 Q370 I371L364-L366 PolarHBondContact O-N 3.14Å; L366-Q370 HydrophobicContact CB-CB 4.45Å; L366-Q370 HydrophobicContact CD2-CB 4.38Å; L366-I371 HydrophobicContact CB-CG1 4.01Å; L366-I371 HydrophobicContact CD1-CG1 4.1Å
367S51.7Low57.1Low49 Ų4978.7 Ų78.734%0.34341%0.408SS..  trans-49.1136159.9174.60000107.1S369 Q370S367-S369 WeakPolarHBondContact CB-OG 3.41Å; S367-S369 PolarHBondContact O-N 3.04Å; S367-S369 PolarHBondContact OG-OG 3.46Å; S367-Q370 WeakPolarHBondContact O-CB 3.3Å; S367-Q370 PolarHBondContact O-N 3.47Å
368P53.3Low59.1Low11 Ų1183 Ų837%0.07142%0.423CS..G310 helixtrans-48.6-30.3178.9-29.434.6000112.5Q370 I371 L399 V483 R486P368-Q370 PolarHBondContact O-N 3.32Å; P368-I371 PolarHBondContact O-N 3.26Å; P368-L399 HydrophobicContact CG-CD1 4.25Å; P368-V483 HydrophobicContact CG-CG2 4.36Å; P368-R486 PolarHBondContact O-NH1 2.61Å
369S57.6Low61.2Low95 Ų9579.4 Ų79.466%0.66441%0.41SS*.G310 helixtrans-63.4-11.2176.356.50000115.6S367S367-S369 WeakPolarHBondContact CB-OG 3.41Å; S367-S369 PolarHBondContact O-N 3.04Å; S367-S369 PolarHBondContact OG-OG 3.46Å
370Q63.2Low63.9Low118 Ų11874.5 Ų74.555%0.55139%0.388SS*.G310 helixtrans-107.6-4-176-66.3174-29.200113.8L366 S367 P368 T372L366-Q370 HydrophobicContact CB-CB 4.45Å; L366-Q370 HydrophobicContact CD2-CB 4.38Å; S367-Q370 WeakPolarHBondContact O-CB 3.3Å; S367-Q370 PolarHBondContact O-N 3.47Å; P368-Q370 PolarHBondContact O-N 3.32Å; Q370-T372 PolarHBondContact O-N 2.99Å
371I68.1Low66.4Low33 Ų3376.7 Ų76.717%0.16940%0.401CS..  trans-80.7112.9-178.6-55.4176.4000108.7L364 L366 P368 D375 R376 L379 L397 L399L364-I371 HydrophobicContact CD1-CD1 4.17Å; L366-I371 HydrophobicContact CB-CG1 4.01Å; L366-I371 HydrophobicContact CD1-CG1 4.1Å; P368-I371 PolarHBondContact O-N 3.26Å; I371-D375 HydrophobicContact CG2-CB 4.01Å; I371-R376 HydrophobicContact CG2-CB 3.94Å; I371-L379 HydrophobicContact CG2-CD1 4.5Å; I371-L397 HydrophobicContact CD1-CD2 4.31Å; I371-L399 HydrophobicContact CD1-CD2 4.18Å
372T79.5Confident68.8Low72 Ų7276.5 Ų76.544%0.44240%0.401SS..  trans-68.6158.8171.568.20000110.7Q370 D374 D375 R376Q370-T372 PolarHBondContact O-N 2.99Å; T372-D374 PolarHBondContact O-N 3.31Å; T372-D375 PolarHBondContact O-N 3.32Å; T372-D375 WeakPolarHBondContact OG1-CB 3.36Å; T372-D375 PolarHBondContact OG1-N 3.26Å; T372-D375 VanDerWaalsContact OG1-N 3.09Å; T372-D375 PolarHBondContact OG1-OD2 3.14Å; T372-R376 WeakPolarHBondContact O-CB 3.5Å; T372-R376 PolarHBondContact O-N 2.82Å
373E83Confident70.9Confident110 Ų11068.6 Ų68.651%0.51437%0.372SS..Hα-helixtrans-62.5-34.4177.9-165.359.3-145.200111.7R376 I377E373-R376 WeakPolarHBondContact O-CB 3.48Å; E373-R376 PolarHBondContact O-N 3.18Å; E373-R376 IonicContact OE1-CZ 2.77Å; E373-R376 IonicContact OE1-NH1 3.04Å; E373-R376 PolarHBondContact OE1-NH1 3.35Å; E373-I377 HydrophobicContact CG-CD1 4.35Å; E373-I377 VanDerWaalsContact O-CG1 3.32Å; E373-I377 WeakPolarHBondContact O-CG1 3.2Å; E373-I377 PolarHBondContact O-N 2.93Å
374D83.9Confident73Confident129 Ų12965.2 Ų65.269%0.6937%0.368SS*.Hα-helixtrans-65.5-43.9174.9-69.8-33.2000112T372 R376 I377 R378T372-D374 PolarHBondContact O-N 3.31Å; D374-R376 VanDerWaalsContact C-N 3.31Å; D374-R376 PolarHBondContact O-N 3.29Å; D374-I377 PolarHBondContact O-N 2.82Å; D374-R378 WeakPolarHBondContact O-CB 3.03Å; D374-R378 PolarHBondContact O-N 2.9Å
375D80.1Confident75Confident35 Ų3571.4 Ų71.419%0.18739%0.393CS..Hα-helixtrans-61.8-42.5173.5-70.9-49.4000110.8I371 T372 I377 R378 L379I371-D375 HydrophobicContact CG2-CB 4.01Å; T372-D375 PolarHBondContact O-N 3.32Å; T372-D375 WeakPolarHBondContact OG1-CB 3.36Å; T372-D375 PolarHBondContact OG1-N 3.26Å; T372-D375 VanDerWaalsContact OG1-N 3.09Å; T372-D375 PolarHBondContact OG1-OD2 3.14Å; D375-I377 PolarHBondContact O-N 3.28Å; D375-R378 PolarHBondContact O-N 3.48Å; D375-R378 IonicContact OD1-CZ 3.83Å; D375-R378 IonicContact OD1-NH1 3.17Å; D375-R378 PolarHBondContact OD1-NH1 3.02Å; D375-R378 VanDerWaalsContact OD1-NH1 3.13Å; D375-R378 IonicContact OD1-NH2 2.84Å; D375-R378 PolarHBondContact OD1-NH2 3.11Å; D375-L379 VanDerWaalsContact O-CB 3.3Å; D375-L379 WeakPolarHBondContact O-CB 3.27Å; D375-L379 WeakPolarHBondContact O-CD1 3.35Å; D375-L379 WeakPolarHBondContact O-CG 3.39Å; D375-L379 PolarHBondContact O-N 3.27Å
376R82.3Confident76.9Confident65 Ų6575.3 Ų75.325%0.24539%0.394CS..Hα-helixtrans-58.6-48.2177.5-178.5177.8174-81.9-12.4111.4I371 T372 E373 D374 L379 L380 L397 E421I371-R376 HydrophobicContact CG2-CB 3.94Å; T372-R376 WeakPolarHBondContact O-CB 3.5Å; T372-R376 PolarHBondContact O-N 2.82Å; E373-R376 WeakPolarHBondContact O-CB 3.48Å; E373-R376 PolarHBondContact O-N 3.18Å; E373-R376 IonicContact OE1-CZ 2.77Å; E373-R376 IonicContact OE1-NH1 3.04Å; E373-R376 PolarHBondContact OE1-NH1 3.35Å; D374-R376 VanDerWaalsContact C-N 3.31Å; D374-R376 PolarHBondContact O-N 3.29Å; R376-L379 PolarHBondContact O-N 3.44Å; R376-L380 HydrophobicContact CG-CD1 4.15Å; R376-L380 WeakPolarHBondContact O-CB 3.4Å; R376-L380 WeakPolarHBondContact O-CG 3.39Å; R376-L380 PolarHBondContact O-N 2.82Å; R376-L397 HydrophobicContact CG-CD2 4.31Å; R376-E421 IonicContact CZ-OE1 2.68Å; R376-E421 IonicContact CZ-OE2 3.48Å; R376-E421 IonicContact NE-OE1 3.13Å; R376-E421 PolarHBondContact NE-OE1 3.09Å; R376-E421 IonicContact NE-OE2 3.87Å; R376-E421 PolarHBondContact NE-OE2 2.99Å; R376-E421 IonicContact NH2-OE1 2.8Å; R376-E421 PolarHBondContact NH2-OE1 2.94Å; R376-E421 IonicContact NH2-OE2 2.78Å
377I86.4Confident78.8Confident82 Ų8273.5 Ų73.542%0.42139%0.385SS..Hα-helixtrans-61.4-47177.2-68.8165.7000110.7E373 D374 D375 L379 L380 N381E373-I377 HydrophobicContact CG-CD1 4.35Å; E373-I377 VanDerWaalsContact O-CG1 3.32Å; E373-I377 WeakPolarHBondContact O-CG1 3.2Å; E373-I377 PolarHBondContact O-N 2.93Å; D374-I377 PolarHBondContact O-N 2.82Å; D375-I377 PolarHBondContact O-N 3.28Å; I377-L379 VanDerWaalsContact C-N 3.31Å; I377-L379 PolarHBondContact O-N 3.21Å; I377-L380 PolarHBondContact O-N 2.89Å; I377-N381 WeakPolarHBondContact O-CB 3.27Å; I377-N381 PolarHBondContact O-N 3.18Å; I377-N381 PolarHBondContact O-ND2 2.99Å
378R85.3Confident80.6Confident150 Ų15074.7 Ų74.757%0.56639%0.391SS*.Hα-helixtrans-58.5-44.1178.2-173.7-175.668.5-143.8-9.1111.5D374 D375 N381 A382D374-R378 WeakPolarHBondContact O-CB 3.03Å; D374-R378 PolarHBondContact O-N 2.9Å; D375-R378 PolarHBondContact O-N 3.48Å; D375-R378 IonicContact OD1-CZ 3.83Å; D375-R378 IonicContact OD1-NH1 3.17Å; D375-R378 PolarHBondContact OD1-NH1 3.02Å; D375-R378 VanDerWaalsContact OD1-NH1 3.13Å; D375-R378 IonicContact OD1-NH2 2.84Å; D375-R378 PolarHBondContact OD1-NH2 3.11Å; R378-N381 PolarHBondContact O-N 2.76Å; R378-A382 PolarHBondContact O-N 3.03Å
379L85.8Confident82.4Confident25 Ų2574.9 Ų74.913%0.13139%0.391CS..Hα-helixtrans-71.1-40.7-178.2-69.6168.8000112.5L364 I371 D375 R376 I377 N381 A382 Q383 L397L364-L379 HydrophobicContact CD1-CD1 3.72Å; L364-L379 HydrophobicContact CD2-CD1 3.43Å; L364-L379 VanDerWaalsContact CD2-CD1 3.43Å; L364-L379 HydrophobicContact CD2-CD2 3.54Å; L364-L379 HydrophobicContact CD2-CG 4.08Å; L364-L379 HydrophobicContact CG-CD1 4.22Å; I371-L379 HydrophobicContact CG2-CD1 4.5Å; D375-L379 VanDerWaalsContact O-CB 3.3Å; D375-L379 WeakPolarHBondContact O-CB 3.27Å; D375-L379 WeakPolarHBondContact O-CD1 3.35Å; D375-L379 WeakPolarHBondContact O-CG 3.39Å; D375-L379 PolarHBondContact O-N 3.27Å; R376-L379 PolarHBondContact O-N 3.44Å; I377-L379 VanDerWaalsContact C-N 3.31Å; I377-L379 PolarHBondContact O-N 3.21Å; L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 3.29Å; L379-A382 PolarHBondContact O-N 3.19Å; L379-Q383 VanDerWaalsContact O-CB 3.32Å; L379-Q383 WeakPolarHBondContact O-CB 3.4Å; L379-Q383 PolarHBondContact O-N 2.85Å; L379-L397 HydrophobicContact CB-CD1 3.72Å; L379-L397 HydrophobicContact CB-CD2 4.35Å; L379-L397 HydrophobicContact CD1-CD2 4.35Å
380L87Confident84Confident36 Ų3672.5 Ų72.519%0.18837%0.371CS..Hα-helixtrans-60.9-42.1173-81.7171.3000111.8R376 I377 Q383 G384 L397R376-L380 HydrophobicContact CG-CD1 4.15Å; R376-L380 WeakPolarHBondContact O-CB 3.4Å; R376-L380 WeakPolarHBondContact O-CG 3.39Å; R376-L380 PolarHBondContact O-N 2.82Å; I377-L380 PolarHBondContact O-N 2.89Å; L380-Q383 PolarHBondContact O-N 3.47Å; L380-G384 PolarHBondContact O-N 2.98Å; L380-L397 HydrophobicContact CD2-CB 3.88Å; L380-L397 HydrophobicContact CD2-CD1 4.26Å; L380-L397 HydrophobicContact CG-CB 4.16Å; L380-L397 HydrophobicContact CG-CD1 4.24Å
381N88.9Confident85.4Confident97 Ų9776.5 Ų76.552%0.51938%0.381SS..Hα-helixtrans-63-43.1175.5-76.8-33000112.1I377 R378 L379 G384 K385I377-N381 WeakPolarHBondContact O-CB 3.27Å; I377-N381 PolarHBondContact O-N 3.18Å; I377-N381 PolarHBondContact O-ND2 2.99Å; R378-N381 PolarHBondContact O-N 2.76Å; L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 3.29Å; N381-G384 PolarHBondContact O-N 3.23Å; N381-K385 WeakPolarHBondContact O-CG 3.29Å; N381-K385 PolarHBondContact O-N 3.32Å
382A84.7Confident86.5Confident38 Ų3876.2 Ų76.231%0.31438%0.379SS..Hα-helixtrans-65.2-41.2175.400000111.9R378 L379 K385 H386R378-A382 PolarHBondContact O-N 3.03Å; L379-A382 PolarHBondContact O-N 3.19Å; A382-K385 PolarHBondContact O-N 3.4Å; A382-H386 PolarHBondContact O-CD2 3.42Å; A382-H386 PolarHBondContact O-N 3.18Å
383Q88.1Confident87Confident16 Ų1672.8 Ų72.88%0.07536%0.358CS..Hα-helixtrans-60.6-46.3175.6-179.2179.8-68.900111.3L379 L380 K385 H386 N387 N390 R396 I398L379-Q383 VanDerWaalsContact O-CB 3.32Å; L379-Q383 WeakPolarHBondContact O-CB 3.4Å; L379-Q383 PolarHBondContact O-N 2.85Å; L380-Q383 PolarHBondContact O-N 3.47Å; Q383-K385 VanDerWaalsContact C-N 3.27Å; Q383-K385 PolarHBondContact O-N 3.14Å; Q383-H386 PolarHBondContact O-N 2.83Å; Q383-N387 HydrophobicContact CG-CB 3.89Å; Q383-N387 VanDerWaalsContact O-CB 3.26Å; Q383-N387 WeakPolarHBondContact O-CB 3.47Å; Q383-N387 PolarHBondContact O-N 2.75Å; Q383-N390 HydrophobicContact CG-CB 4.18Å; Q383-N390 PolarHBondContact NE2-OD1 3.38Å; Q383-R396 PolarHBondContact NE2-O 2.91Å; Q383-I398 HydrophobicContact CG-CD1 4.26Å; Q383-I398 VanDerWaalsContact OE1-CB 3.25Å
384G87.8Confident87.3Confident43 Ų4375 Ų7544%0.44336%0.361SS..Hα-helixtrans-62-32.9178.700000113.7L380 N381L380-G384 PolarHBondContact O-N 2.98Å; N381-G384 PolarHBondContact O-N 3.23Å
385K88.2Confident87.5Confident166 Ų16671.3 Ų71.372%0.72235%0.354SS*.Hα-helixtrans-80.3-36.3179.4-71.4177.6-177.5-177.80113.6N381 A382 Q383N381-K385 WeakPolarHBondContact O-CG 3.29Å; N381-K385 PolarHBondContact O-N 3.32Å; A382-K385 PolarHBondContact O-N 3.4Å; Q383-K385 VanDerWaalsContact C-N 3.27Å; Q383-K385 PolarHBondContact O-N 3.14Å
386H83.8Confident87.9Confident147 Ų14773.2 Ų73.268%0.68136%0.359SS*.Hα-helixtrans-120.1-19.7-165.3-59.5-61.1000115.1A382 Q383 P388A382-H386 PolarHBondContact O-CD2 3.42Å; A382-H386 PolarHBondContact O-N 3.18Å; Q383-H386 PolarHBondContact O-N 2.83Å; H386-P388 WeakPolarHBondContact O-CD 3.39Å
387N86.5Confident88.2Confident26 Ų2670.3 Ų70.314%0.13935%0.348CS..  trans-96.1112.3-176.2-168.5-33.4000111.1Q383 F389 N390 I398 Q401Q383-N387 HydrophobicContact CG-CB 3.89Å; Q383-N387 VanDerWaalsContact O-CB 3.26Å; Q383-N387 WeakPolarHBondContact O-CB 3.47Å; Q383-N387 PolarHBondContact O-N 2.75Å; N387-F389 PolarHBondContact O-N 3.26Å; N387-F389 VanDerWaalsContact O-N 3.1Å; N387-F389 WeakPolarHBondContact OD1-CB 3.46Å; N387-F389 VanDerWaalsContact OD1-CD2 3.31Å; N387-F389 WeakPolarHBondContact OD1-CD2 3.32Å; N387-F389 PolarHBondContact OD1-N 3.5Å; N387-N390 VanDerWaalsContact O-CB 3.28Å; N387-N390 WeakPolarHBondContact O-CB 3.45Å; N387-N390 PolarHBondContact O-N 3.15Å; N387-N390 VanDerWaalsContact O-N 3.1Å; N387-I398 WeakPolarHBondContact ND2-CD1 3.42Å; N387-Q401 PolarHBondContact ND2-NE2 2.82Å; N387-Q401 PolarHBondContact ND2-OE1 3.04Å
388P88.7Confident88.3Confident74 Ų7467.1 Ų67.148%0.48133%0.332SS..G310 helixtrans-63-21.9-178.426.7-35.1000113.1H386 M433H386-P388 WeakPolarHBondContact O-CD 3.39Å; P388-M433 HydrophobicContact CB-CE 4.28Å
389F91.2Very high88.4Confident15 Ų1560.7 Ų60.77%0.06631%0.308CS..G310 helixtrans-87-4.5-179.1-48.3-68.4000114N387 R391 F392 M416 L418 I428 M433N387-F389 PolarHBondContact O-N 3.26Å; N387-F389 VanDerWaalsContact O-N 3.1Å; N387-F389 WeakPolarHBondContact OD1-CB 3.46Å; N387-F389 VanDerWaalsContact OD1-CD2 3.31Å; N387-F389 WeakPolarHBondContact OD1-CD2 3.32Å; N387-F389 PolarHBondContact OD1-N 3.5Å; F389-R391 PolarHBondContact O-N 3.18Å; F389-F392 HydrophobicContact CB-CD2 4.26Å; F389-F392 HydrophobicContact CD1-CD2 4.46Å; F389-F392 HydrophobicContact CD1-CE2 4.4Å; F389-F392 PolarHBondContact O-N 2.87Å; F389-M416 HydrophobicContact CD1-CG 4.21Å; F389-M416 HydrophobicContact CD2-CE 4.47Å; F389-M416 HydrophobicContact CD2-CG 4.03Å; F389-M416 HydrophobicContact CE1-CB 4.28Å; F389-M416 HydrophobicContact CE1-CG 4.07Å; F389-M416 HydrophobicContact CE2-CE 3.62Å; F389-M416 HydrophobicContact CE2-CG 3.9Å; F389-M416 HydrophobicContact CE2-SD 4.26Å; F389-M416 HydrophobicContact CG-CG 4.2Å; F389-M416 HydrophobicContact CZ-CB 4.34Å; F389-M416 HydrophobicContact CZ-CE 3.79Å; F389-M416 HydrophobicContact CZ-CG 3.92Å; F389-L418 HydrophobicContact CB-CD1 3.76Å; F389-L418 HydrophobicContact CB-CD2 4.13Å; F389-L418 HydrophobicContact CD2-CD2 4.4Å; F389-L418 HydrophobicContact CG-CD2 4.39Å; F389-I428 HydrophobicContact CB-CD1 4.19Å; F389-I428 HydrophobicContact CD1-CD1 4.13Å; F389-I428 HydrophobicContact CD1-CG2 4.46Å; F389-I428 HydrophobicContact CG-CD1 4.47Å; F389-M433 HydrophobicContact CD1-CE 4.28Å; F389-M433 HydrophobicContact CD1-SD 4.32Å; F389-M433 HydrophobicContact CE1-CE 4.32Å; F389-M433 HydrophobicContact CE1-SD 3.87Å
390N90.6Very high88.5Confident46 Ų4659.7 Ų59.725%0.24630%0.303CS..G310 helixtrans-51.8-33.7179-178.862.7000113Q383 N387 F392 V393Q383-N390 HydrophobicContact CG-CB 4.18Å; Q383-N390 PolarHBondContact NE2-OD1 3.38Å; N387-N390 VanDerWaalsContact O-CB 3.28Å; N387-N390 WeakPolarHBondContact O-CB 3.45Å; N387-N390 PolarHBondContact O-N 3.15Å; N387-N390 VanDerWaalsContact O-N 3.1Å; N390-F392 PolarHBondContact O-N 3.13Å; N390-F392 VanDerWaalsContact O-N 3.14Å; N390-V393 VanDerWaalsContact O-CG2 3.25Å; N390-V393 WeakPolarHBondContact O-CG2 3.4Å; N390-V393 PolarHBondContact O-N 2.72Å
391R92.6Very high88.7Confident201 Ų20158.8 Ų58.876%0.75830%0.298SS*.G310 helixtrans-62.7-18.517966.1-179.764.2-166.3-3.8114.7F389F389-R391 PolarHBondContact O-N 3.18Å
392F92.5Very high88.7Confident28 Ų2854.6 Ų54.612%0.12328%0.277CS..G310 helixtrans-96.8-16-176.6-58.3-65.8000113.8F389 N390 I428 M433 L435F389-F392 HydrophobicContact CB-CD2 4.26Å; F389-F392 HydrophobicContact CD1-CD2 4.46Å; F389-F392 HydrophobicContact CD1-CE2 4.4Å; F389-F392 PolarHBondContact O-N 2.87Å; N390-F392 PolarHBondContact O-N 3.13Å; N390-F392 VanDerWaalsContact O-N 3.14Å; F392-I428 HydrophobicContact CB-CD1 3.72Å; F392-I428 HydrophobicContact CB-CG1 4.2Å; F392-I428 HydrophobicContact CD2-CD1 3.38Å; F392-I428 HydrophobicContact CD2-CG1 3.93Å; F392-I428 HydrophobicContact CD2-CG2 4.31Å; F392-I428 HydrophobicContact CE2-CD1 4.19Å; F392-I428 HydrophobicContact CE2-CG1 4.5Å; F392-I428 HydrophobicContact CE2-CG2 4.07Å; F392-I428 HydrophobicContact CG-CD1 3.72Å; F392-I428 HydrophobicContact CG-CG1 4Å; F392-I428 HydrophobicContact CZ-CG2 4.46Å; F392-M433 HydrophobicContact CE2-CE 3.99Å; F392-M433 HydrophobicContact CZ-CE 4.48Å; F392-M433 VanDerWaalsContact CZ-O 3.23Å; F392-M433 WeakPolarHBondContact CZ-O 3.12Å; F392-L435 HydrophobicContact CD1-CB 3.9Å; F392-L435 HydrophobicContact CE1-CB 4.44Å
393V89.3Confident88.9Confident0 Ų054.5 Ų54.50%027%0.271CS..THydrogen-bonded Turntrans-95.613.5-171.3-62.40000114N390 G395 R396 I398 L418 T420 F426N390-V393 VanDerWaalsContact O-CG2 3.25Å; N390-V393 WeakPolarHBondContact O-CG2 3.4Å; N390-V393 PolarHBondContact O-N 2.72Å; V393-G395 PolarHBondContact O-N 2.91Å; V393-G395 VanDerWaalsContact O-N 3.16Å; V393-R396 VanDerWaalsContact CG2-O 3.28Å; V393-R396 WeakPolarHBondContact CG2-O 3.26Å; V393-R396 WeakPolarHBondContact O-CB 3.39Å; V393-R396 WeakPolarHBondContact O-CD 3.32Å; V393-R396 VanDerWaalsContact O-CG 3.29Å; V393-R396 WeakPolarHBondContact O-CG 3.36Å; V393-R396 PolarHBondContact O-N 2.88Å; V393-I398 HydrophobicContact CB-CG1 4.43Å; V393-I398 HydrophobicContact CG1-CD1 4.03Å; V393-I398 HydrophobicContact CG1-CG1 3.87Å; V393-I398 HydrophobicContact CG2-CD1 4.23Å; V393-I398 HydrophobicContact CG2-CG1 4.15Å; V393-L418 HydrophobicContact CG1-CB 4.04Å; V393-L418 HydrophobicContact CG1-CD1 3.29Å; V393-L418 HydrophobicContact CG1-CG 4.34Å; V393-T420 HydrophobicContact CB-CG2 3.97Å; V393-T420 HydrophobicContact CG1-CG2 3.72Å; V393-F426 HydrophobicContact CB-CD2 4.39Å; V393-F426 HydrophobicContact CB-CE2 4.21Å; V393-F426 HydrophobicContact CG1-CD2 3.89Å; V393-F426 HydrophobicContact CG1-CE2 4.22Å
394R90.4Very high88.9Confident155 Ų15553.8 Ų53.859%0.58527%0.267SS*.THydrogen-bonded Turntrans53.539.3173.2-52177.9-177.41414.2113.2R396 E438R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 3.27Å; R394-E438 IonicContact CZ-OE2 2.75Å; R394-E438 IonicContact NH1-OE2 3.8Å; R394-E438 PolarHBondContact NH1-OE2 3.28Å; R394-E438 IonicContact NH2-OE2 2.72Å; R394-E438 PolarHBondContact NH2-OE2 3.32Å
395G87.3Confident88.8Confident53 Ų5352.6 Ų52.655%0.54625%0.25SS..THydrogen-bonded Turntrans75.910.2179.800000115.4V393V393-G395 PolarHBondContact O-N 2.91Å; V393-G395 VanDerWaalsContact O-N 3.16Å
396R88.8Confident88.6Confident75 Ų7546.2 Ų46.228%0.28322%0.222SC..PPolyproline II helixtrans-89146-179.2-60.4168.1176.7-84.30.4111.5Q383 V393 R394 I398 E421 G422 H424Q383-R396 PolarHBondContact NE2-O 2.91Å; V393-R396 VanDerWaalsContact CG2-O 3.28Å; V393-R396 WeakPolarHBondContact CG2-O 3.26Å; V393-R396 WeakPolarHBondContact O-CB 3.39Å; V393-R396 WeakPolarHBondContact O-CD 3.32Å; V393-R396 VanDerWaalsContact O-CG 3.29Å; V393-R396 WeakPolarHBondContact O-CG 3.36Å; V393-R396 PolarHBondContact O-N 2.88Å; R394-R396 VanDerWaalsContact C-N 3.3Å; R394-R396 PolarHBondContact O-N 3.27Å; R396-I398 PolarHBondContact O-N 2.82Å; R396-E421 HydrophobicContact CB-CG 4.01Å; R396-E421 WeakPolarHBondContact CD-O 3.22Å; R396-E421 PolarHBondContact NH1-O 3.16Å; R396-E421 VanDerWaalsContact NH1-O 3.08Å; R396-G422 PolarHBondContact NH1-O 2.96Å; R396-H424 WeakPolarHBondContact CD-CD2 3.4Å; R396-H424 PolarHBondContact NE-CD2 2.9Å; R396-H424 PolarHBondContact NE-NE2 3.03Å; R396-H424 VanDerWaalsContact NE-NE2 3.16Å; R396-H424 PolarHBondContact NH1-CD2 3.35Å; R396-H424 PolarHBondContact NH1-NE2 3.14Å; R396-H424 PolarHBondContact NH2-NE2 3.04Å
397L87.4Confident88Confident4 Ų441.2 Ų41.22%0.02120%0.198CC..PPolyproline II helixtrans-68.6127.6174.6-177.461.9000110.4L364 I371 R376 L379 L380 L399 T420 E421L364-L397 HydrophobicContact CD1-CD1 4.44Å; L364-L397 HydrophobicContact CD1-CD2 4.02Å; L364-L397 HydrophobicContact CD1-CG 4.32Å; I371-L397 HydrophobicContact CD1-CD2 4.31Å; R376-L397 HydrophobicContact CG-CD2 4.31Å; L379-L397 HydrophobicContact CB-CD1 3.72Å; L379-L397 HydrophobicContact CB-CD2 4.35Å; L379-L397 HydrophobicContact CD1-CD2 4.35Å; L380-L397 HydrophobicContact CD2-CB 3.88Å; L380-L397 HydrophobicContact CD2-CD1 4.26Å; L380-L397 HydrophobicContact CG-CB 4.16Å; L380-L397 HydrophobicContact CG-CD1 4.24Å; L397-L399 HydrophobicContact CD2-CD2 4.47Å; L397-L399 PolarHBondContact O-N 3.34Å; L397-T420 WeakPolarHBondContact O-CA 2.91Å; L397-T420 VanDerWaalsContact O-CB 3.27Å; L397-T420 WeakPolarHBondContact O-CB 3.38Å; L397-E421 HydrophobicContact CB-CG 4.18Å; L397-E421 PolarHBondContact N-OE1 3.27Å; L397-E421 PolarHBondContact O-N 2.84Å
398I89.4Confident86.9Confident15 Ų1549.4 Ų49.48%0.07723%0.226CC..EExtended strand (participates in β ladder)trans-77.6117.8172.6-63.3165.9000108Q383 N387 V393 R396 Q401 L418 L419 T420Q383-I398 HydrophobicContact CG-CD1 4.26Å; Q383-I398 VanDerWaalsContact OE1-CB 3.25Å; N387-I398 WeakPolarHBondContact ND2-CD1 3.42Å; V393-I398 HydrophobicContact CB-CG1 4.43Å; V393-I398 HydrophobicContact CG1-CD1 4.03Å; V393-I398 HydrophobicContact CG1-CG1 3.87Å; V393-I398 HydrophobicContact CG2-CD1 4.23Å; V393-I398 HydrophobicContact CG2-CG1 4.15Å; R396-I398 PolarHBondContact O-N 2.82Å; I398-Q401 HydrophobicContact CG2-CB 3.91Å; I398-Q401 HydrophobicContact CG2-CG 4.31Å; I398-L418 HydrophobicContact CD1-CD1 4.28Å; I398-L418 HydrophobicContact CD1-CD2 4.34Å; I398-L419 CarbonylContact C-O 3.56Å; I398-T420 HydrophobicContact CG1-CG2 4.09Å
399L86.4Confident85.2Confident14 Ų1447.5 Ų47.57%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-87.6-38.3178.5-58.4176.7000111.3P368 I371 L397 L419 V483P368-L399 HydrophobicContact CG-CD1 4.25Å; I371-L399 HydrophobicContact CD1-CD2 4.18Å; L397-L399 HydrophobicContact CD2-CD2 4.47Å; L397-L399 PolarHBondContact O-N 3.34Å; L399-L419 PolarHBondContact N-O 3.02Å; L399-V483 HydrophobicContact CD1-CG2 3.61Å
400K88.9Confident83Confident5 Ų549.9 Ų49.92%0.02223%0.234CC..EExtended strand (participates in β ladder)trans-147.5142.1173.6-179.7172.7176.877.40109.4S361 L419 D475 W476 Q479S361-K400 PolarHBondContact OG-NZ 3.39Å; K400-L419 HydrophobicContact CB-CB 4.13Å; K400-L419 HydrophobicContact CB-CD2 4.31Å; K400-L419 PolarHBondContact N-O 2.96Å; K400-L419 PolarHBondContact O-N 3.27Å; K400-D475 VanDerWaalsContact CE-OD2 3.26Å; K400-D475 WeakPolarHBondContact CE-OD2 3.35Å; K400-D475 IonicContact NZ-OD2 2.95Å; K400-D475 PolarHBondContact NZ-OD2 3.43Å; K400-W476 HydrophobicContact CD-CD2 3.98Å; K400-W476 HydrophobicContact CD-CE3 3.97Å; K400-W476 HydrophobicContact CD-CH2 4.33Å; K400-W476 HydrophobicContact CD-CZ2 4.33Å; K400-W476 HydrophobicContact CD-CZ3 4.15Å; K400-W476 HydrophobicContact CG-CH2 4.04Å; K400-W476 HydrophobicContact CG-CZ2 4.22Å; K400-W476 HydrophobicContact CG-CZ3 4.18Å; K400-Q479 HydrophobicContact CD-CB 4.11Å; K400-Q479 HydrophobicContact CD-CG 3.93Å
401Q90.2Very high81.3Confident17 Ų1754.1 Ų54.18%0.07925%0.25CS..EExtended strand (participates in β ladder)trans-135.5159.2167.664.9-176.915.900110.8L360 S361 N387 I398 M416 F417 L418L360-Q401 CarbonylContact C-O 3.44Å; L360-Q401 CarbonylContact O-C 3.58Å; L360-Q401 WeakPolarHBondContact O-CG 3.32Å; S361-Q401 WeakPolarHBondContact CA-O 3.43Å; S361-Q401 PolarHBondContact N-O 3.09Å; N387-Q401 PolarHBondContact ND2-NE2 2.82Å; N387-Q401 PolarHBondContact ND2-OE1 3.04Å; I398-Q401 HydrophobicContact CG2-CB 3.91Å; I398-Q401 HydrophobicContact CG2-CG 4.31Å; Q401-M416 HydrophobicContact CB-SD 4.12Å; Q401-F417 CarbonylContact C-O 3.14Å; Q401-F417 WeakPolarHBondContact CA-O 3.47Å; Q401-F417 WeakPolarHBondContact CB-O 3.29Å; Q401-L418 HydrophobicContact CB-CD2 3.46Å; Q401-L418 VanDerWaalsContact CB-CD2 3.46Å; Q401-L418 HydrophobicContact CG-CD2 4.47Å
402G89.4Confident80.2Confident8 Ų845.7 Ų45.78%0.08222%0.223CC..EExtended strand (participates in β ladder)trans175.9158.8176.300000112L404 M416 F417G402-L404 PolarHBondContact O-N 3.22Å; G402-M416 VanDerWaalsContact C-SD 3.55Å; G402-F417 PolarHBondContact N-O 2.99Å; G402-F417 PolarHBondContact O-N 3.39Å
403I88.8Confident79.6Confident37 Ų3750.6 Ų50.619%0.1924%0.241CC..EExtended strand (participates in β ladder)trans-75.8120.3172.9-62.3-61.4000108.3F405 K414 R415 M416 V430I403-F405 HydrophobicContact CG2-CE2 4.37Å; I403-K414 HydrophobicContact CG2-CD 4.19Å; I403-K414 HydrophobicContact CG2-CG 3.55Å; I403-R415 WeakPolarHBondContact CA-O 3.45Å; I403-M416 HydrophobicContact CD1-CB 4.08Å; I403-M416 HydrophobicContact CD1-CE 3.47Å; I403-M416 VanDerWaalsContact CD1-CE 3.47Å; I403-M416 HydrophobicContact CD1-SD 4.31Å; I403-M416 HydrophobicContact CG1-CE 3.98Å; I403-V430 HydrophobicContact CD1-CG2 3.82Å
404L89.5Confident79.3Confident0 Ų054.2 Ų54.20%026%0.257CS..EExtended strand (participates in β ladder)trans-120.9152.1167.3-59.7174.7000109.5G402 R415 F417 F455 L466 E467 D468 W476G402-L404 PolarHBondContact O-N 3.22Å; L404-R415 PolarHBondContact N-O 2.96Å; L404-R415 PolarHBondContact O-N 3.12Å; L404-F417 HydrophobicContact CB-CD2 3.53Å; L404-F417 HydrophobicContact CB-CE2 3.75Å; L404-F417 HydrophobicContact CB-CG 4.27Å; L404-F417 HydrophobicContact CD1-CB 3.95Å; L404-F417 HydrophobicContact CD1-CD1 4.15Å; L404-F417 HydrophobicContact CD1-CD2 3.85Å; L404-F417 HydrophobicContact CD1-CE2 4.33Å; L404-F417 HydrophobicContact CD1-CG 3.73Å; L404-F417 HydrophobicContact CG-CB 4.35Å; L404-F417 HydrophobicContact CG-CD2 4Å; L404-F417 HydrophobicContact CG-CG 4.27Å; L404-F455 HydrophobicContact CD1-CE1 3.99Å; L404-F455 HydrophobicContact CD1-CZ 3.56Å; L404-F455 HydrophobicContact CD2-CE1 3.97Å; L404-F455 HydrophobicContact CD2-CZ 4.37Å; L404-L466 HydrophobicContact CD1-CB 4.42Å; L404-L466 HydrophobicContact CD1-CD1 4.01Å; L404-E467 WeakPolarHBondContact CA-O 3.43Å; L404-D468 HydrophobicContact CD2-CB 3.64Å; L404-W476 HydrophobicContact CD1-CD2 3.96Å; L404-W476 HydrophobicContact CD1-CE3 4.31Å; L404-W476 HydrophobicContact CD1-CG 4.44Å; L404-W476 HydrophobicContact CD1-CH2 4.33Å; L404-W476 HydrophobicContact CD1-CZ2 3.96Å; L404-W476 HydrophobicContact CD1-CZ3 4.49Å; L404-W476 HydrophobicContact CD2-CG 4.47Å; L404-W476 HydrophobicContact CD2-CZ2 4.43Å; L404-W476 HydrophobicContact CG-CZ2 4.06Å
405F84.3Confident79.3Confident19 Ų1948.5 Ų48.58%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-95.4114.3171.8-71.7-88.9000109.4W345 I403 A412 K414 L466 E467 P469W345-F405 HydrophobicContact CD2-CD2 4.5Å; W345-F405 HydrophobicContact CD2-CE1 4.11Å; W345-F405 AromaticContact CD2-CE2 3.87Å; W345-F405 HydrophobicContact CD2-CE2 3.87Å; W345-F405 AromaticContact CD2-CZ 3.63Å; W345-F405 HydrophobicContact CD2-CZ 3.63Å; W345-F405 AromaticContact CE2-CD1 3.84Å; W345-F405 AromaticContact CE2-CE1 3.33Å; W345-F405 AromaticContact CE2-CE2 3.89Å; W345-F405 AromaticContact CE2-CZ 3.35Å; W345-F405 AromaticContact CE3-CD2 3.94Å; W345-F405 HydrophobicContact CE3-CD2 3.94Å; W345-F405 HydrophobicContact CE3-CE1 4.49Å; W345-F405 AromaticContact CE3-CE2 3.54Å; W345-F405 HydrophobicContact CE3-CE2 3.54Å; W345-F405 AromaticContact CE3-CZ 3.83Å; W345-F405 HydrophobicContact CE3-CZ 3.83Å; W345-F405 HydrophobicContact CG-CZ 4.42Å; W345-F405 HydrophobicContact CH2-CB 3.5Å; W345-F405 AromaticContact CH2-CD1 3.32Å; W345-F405 HydrophobicContact CH2-CD1 3.32Å; W345-F405 AromaticContact CH2-CD2 3.15Å; W345-F405 HydrophobicContact CH2-CD2 3.15Å; W345-F405 AromaticContact CH2-CE1 3.67Å; W345-F405 HydrophobicContact CH2-CE1 3.67Å; W345-F405 AromaticContact CH2-CE2 3.52Å; W345-F405 HydrophobicContact CH2-CE2 3.52Å; W345-F405 AromaticContact CH2-CG 3.01Å; W345-F405 HydrophobicContact CH2-CG 3.01Å; W345-F405 AromaticContact CH2-CZ 3.75Å; W345-F405 HydrophobicContact CH2-CZ 3.75Å; W345-F405 HydrophobicContact CZ2-CB 4.09Å; W345-F405 AromaticContact CZ2-CD1 3.03Å; W345-F405 HydrophobicContact CZ2-CD1 3.03Å; W345-F405 AromaticContact CZ2-CD2 3.7Å; W345-F405 HydrophobicContact CZ2-CD2 3.7Å; W345-F405 AromaticContact CZ2-CE1 3.06Å; W345-F405 HydrophobicContact CZ2-CE1 3.06Å; W345-F405 AromaticContact CZ2-CE2 3.73Å; W345-F405 HydrophobicContact CZ2-CE2 3.73Å; W345-F405 AromaticContact CZ2-CG 3.34Å; W345-F405 HydrophobicContact CZ2-CG 3.34Å; W345-F405 AromaticContact CZ2-CZ 3.42Å; W345-F405 HydrophobicContact CZ2-CZ 3.42Å; W345-F405 VanDerWaalsContact CZ2-CZ 3.42Å; W345-F405 HydrophobicContact CZ3-CB 4.3Å; W345-F405 HydrophobicContact CZ3-CD1 4.21Å; W345-F405 AromaticContact CZ3-CD2 3.25Å; W345-F405 HydrophobicContact CZ3-CD2 3.25Å; W345-F405 HydrophobicContact CZ3-CE1 4.3Å; W345-F405 AromaticContact CZ3-CE2 3.37Å; W345-F405 HydrophobicContact CZ3-CE2 3.37Å; W345-F405 AromaticContact CZ3-CG 3.69Å; W345-F405 HydrophobicContact CZ3-CG 3.69Å; W345-F405 AromaticContact CZ3-CZ 3.9Å; W345-F405 HydrophobicContact CZ3-CZ 3.9Å; W345-F405 AromaticContact NE1-CE1 3.74Å; W345-F405 AromaticContact NE1-CZ 3.86Å; I403-F405 HydrophobicContact CG2-CE2 4.37Å; F405-A412 HydrophobicContact CB-CB 4.22Å; F405-A412 HydrophobicContact CD1-CB 4.49Å; F405-K414 HydrophobicContact CD1-CB 3.93Å; F405-K414 HydrophobicContact CD1-CG 4.45Å; F405-K414 HydrophobicContact CE1-CB 3.5Å; F405-K414 VanDerWaalsContact CE1-CB 3.5Å; F405-K414 HydrophobicContact CE1-CD 4.38Å; F405-K414 HydrophobicContact CE1-CG 3.83Å; F405-K414 HydrophobicContact CZ-CB 4.17Å; F405-K414 HydrophobicContact CZ-CD 4.28Å; F405-K414 HydrophobicContact CZ-CG 3.97Å; F405-L466 WeakPolarHBondContact O-CA 3.45Å; F405-E467 HydrophobicContact CB-CB 4.24Å; F405-E467 PolarHBondContact N-O 3.27Å; F405-E467 PolarHBondContact O-N 3.49Å; F405-P469 HydrophobicContact CD2-CB 4.35Å; F405-P469 HydrophobicContact CD2-CG 4.14Å; F405-P469 HydrophobicContact CE2-CB 4.03Å; F405-P469 HydrophobicContact CE2-CG 3.86Å
406K84.8Confident79.5Confident31 Ų3146.1 Ų46.114%0.13521%0.21CC..EExtended strand (participates in β ladder)trans-97.4122.9179-173.7-166.2167-60.80109.5R413 R415 F417 Y427 Y464 L466K406-R413 PolarHBondContact N-O 3.02Å; K406-R413 PolarHBondContact O-N 3.39Å; K406-R415 HydrophobicContact CB-CG 4.38Å; K406-F417 HydrophobicContact CB-CE2 4.04Å; K406-F417 HydrophobicContact CB-CZ 3.96Å; K406-F417 HydrophobicContact CD-CZ 4.2Å; K406-F417 HydrophobicContact CG-CZ 4.2Å; K406-Y427 HydrophobicContact CD-CD2 4.21Å; K406-Y427 HydrophobicContact CD-CE2 4.13Å; K406-Y427 HydrophobicContact CD-CG 4.5Å; K406-Y464 HydrophobicContact CD-CD1 4.27Å; K406-L466 HydrophobicContact CB-CD2 3.83Å; K406-L466 HydrophobicContact CG-CD2 3.8Å
407R71.4Confident79.8Confident42 Ų4242.5 Ų42.516%0.15820%0.196CC..EExtended strand (participates in β ladder)trans-66.9143.6174.6-66.7-172.1163.2-155.3-2.1113.1L337 E338 Y465L337-R407 VanDerWaalsContact O-CZ 3.29Å; L337-R407 PolarHBondContact O-NH1 2.8Å; L337-R407 PolarHBondContact O-NH2 3.36Å; E338-R407 PolarHBondContact O-NH2 3.17Å; R407-Y465 PolarHBondContact N-O 3.28Å; R407-Y465 VanDerWaalsContact N-O 3.13Å
408R63.4Low80.1Confident198 Ų19842.3 Ų42.375%0.74720%0.195SC*.EExtended strand (participates in β ladder)trans-150.4104.5166.9-178-177.8-178.9174.51.2108.9F411R408-F411 CarbonylContact C-O 3.58Å; R408-F411 PolarHBondContact N-O 2.77Å; R408-F411 PolarHBondContact O-N 2.75Å
409G53Low80.2Confident35 Ų3541.6 Ų41.636%0.36119%0.192SC..THydrogen-bonded Turntrans65.1-146.2-172.700000110.6T135 F411T135-G409 WeakPolarHBondContact CG2-O 3.18Å; T135-G409 WeakPolarHBondContact OG1-CA 3.39Å; T135-G409 PolarHBondContact OG1-O 2.76Å; G409-F411 PolarHBondContact O-N 3.41Å; G409-F411 VanDerWaalsContact O-N 3.09Å
410L44.9Very low80.3Confident64 Ų6441 Ų4134%0.33519%0.188SC..THydrogen-bonded Turntrans-66.3-8.2178.6-67.4169.4000114.4T135 S249 L337T135-L410 HydrophobicContact CG2-CB 4.13Å; T135-L410 HydrophobicContact CG2-CD2 3.34Å; T135-L410 HydrophobicContact CG2-CG 3.55Å; S249-L410 WeakPolarHBondContact O-CD2 3.48Å; L337-L410 HydrophobicContact CD1-CD2 4.28Å
411F55.7Low80.1Confident135 Ų13542.2 Ų42.259%0.59219%0.194SC*.EExtended strand (participates in β ladder)trans-117.5133.7-171.1-54.9-73.4000112.1R408 G409R408-F411 CarbonylContact C-O 3.58Å; R408-F411 PolarHBondContact N-O 2.77Å; R408-F411 PolarHBondContact O-N 2.75Å; G409-F411 PolarHBondContact O-N 3.41Å; G409-F411 VanDerWaalsContact O-N 3.09Å
412A68.8Low79.5Confident24 Ų2442.5 Ų42.520%0.19820%0.201CC..EExtended strand (participates in β ladder)trans-78139.2161.900000109.8W345 F405W345-A412 HydrophobicContact CZ2-CB 4.37Å; F405-A412 HydrophobicContact CB-CB 4.22Å; F405-A412 HydrophobicContact CD1-CB 4.49Å
413R78.8Confident79.3Confident132 Ų13242.9 Ų42.950%0.49820%0.202SC..EExtended strand (participates in β ladder)trans-117.6124.9174.9-64.9-65.5-176.1165.7-2.7109.3K406 R415K406-R413 PolarHBondContact N-O 3.02Å; K406-R413 PolarHBondContact O-N 3.39Å; R413-R415 PolarHBondContact O-N 3.37Å
414K83.3Confident79.4Confident76 Ų7642.4 Ų42.433%0.3320%0.2SC..EExtended strand (participates in β ladder)trans-61.5123.7173.2-167.6178.2-176.2175.70109.6I403 F405I403-K414 HydrophobicContact CG2-CD 4.19Å; I403-K414 HydrophobicContact CG2-CG 3.55Å; F405-K414 HydrophobicContact CD1-CB 3.93Å; F405-K414 HydrophobicContact CD1-CG 4.45Å; F405-K414 HydrophobicContact CE1-CB 3.5Å; F405-K414 VanDerWaalsContact CE1-CB 3.5Å; F405-K414 HydrophobicContact CE1-CD 4.38Å; F405-K414 HydrophobicContact CE1-CG 3.83Å; F405-K414 HydrophobicContact CZ-CB 4.17Å; F405-K414 HydrophobicContact CZ-CD 4.28Å; F405-K414 HydrophobicContact CZ-CG 3.97Å
415R90.6Very high79.6Confident35 Ų3542.5 Ų42.513%0.13220%0.2CC..EExtended strand (participates in β ladder)trans-137.3144.9175.9-61.1-66.2174.4-116.816.6110.2I403 L404 K406 R413 F417 Y427 I428 D429I403-R415 WeakPolarHBondContact CA-O 3.45Å; L404-R415 PolarHBondContact N-O 2.96Å; L404-R415 PolarHBondContact O-N 3.12Å; K406-R415 HydrophobicContact CB-CG 4.38Å; R413-R415 PolarHBondContact O-N 3.37Å; R415-F417 HydrophobicContact CB-CD2 3.98Å; R415-F417 HydrophobicContact CB-CE2 3.72Å; R415-Y427 HydrophobicContact CG-CD2 4.23Å; R415-I428 CarbonylContact C-O 3.45Å; R415-I428 WeakPolarHBondContact CA-O 3.3Å; R415-I428 WeakPolarHBondContact CB-O 3.47Å; R415-I428 VanDerWaalsContact CD-O 3.29Å; R415-I428 WeakPolarHBondContact CD-O 3.26Å; R415-D429 IonicContact CZ-OD2 3.27Å; R415-D429 IonicContact NH1-OD2 2.73Å; R415-D429 PolarHBondContact NH1-OD2 3.26Å; R415-D429 IonicContact NH2-OD2 2.81Å; R415-D429 PolarHBondContact NH2-OD2 3.23Å
416M92.5Very high80.1Confident2 Ų241.6 Ų41.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-81.4114.4164.9175.858.371.400108.2L360 F389 Q401 G402 I403 L418 Y427 I428 V430L360-M416 HydrophobicContact CD1-CE 3.85Å; L360-M416 HydrophobicContact CD2-CE 4.26Å; L360-M416 HydrophobicContact CG-CE 4.46Å; F389-M416 HydrophobicContact CD1-CG 4.21Å; F389-M416 HydrophobicContact CD2-CE 4.47Å; F389-M416 HydrophobicContact CD2-CG 4.03Å; F389-M416 HydrophobicContact CE1-CB 4.28Å; F389-M416 HydrophobicContact CE1-CG 4.07Å; F389-M416 HydrophobicContact CE2-CE 3.62Å; F389-M416 HydrophobicContact CE2-CG 3.9Å; F389-M416 HydrophobicContact CE2-SD 4.26Å; F389-M416 HydrophobicContact CG-CG 4.2Å; F389-M416 HydrophobicContact CZ-CB 4.34Å; F389-M416 HydrophobicContact CZ-CE 3.79Å; F389-M416 HydrophobicContact CZ-CG 3.92Å; Q401-M416 HydrophobicContact CB-SD 4.12Å; G402-M416 VanDerWaalsContact C-SD 3.55Å; I403-M416 HydrophobicContact CD1-CB 4.08Å; I403-M416 HydrophobicContact CD1-CE 3.47Å; I403-M416 VanDerWaalsContact CD1-CE 3.47Å; I403-M416 HydrophobicContact CD1-SD 4.31Å; I403-M416 HydrophobicContact CG1-CE 3.98Å; M416-L418 HydrophobicContact CG-CD2 3.63Å; M416-L418 HydrophobicContact CG-CG 4.35Å; M416-L418 HydrophobicContact SD-CD2 4.1Å; M416-Y427 CarbonylContact O-C 3.34Å; M416-Y427 VanDerWaalsContact O-CA 3.29Å; M416-Y427 WeakPolarHBondContact O-CA 3.46Å; M416-I428 HydrophobicContact CB-CB 4.3Å; M416-I428 PolarHBondContact N-O 3.29Å; M416-I428 PolarHBondContact O-N 3.02Å; M416-V430 HydrophobicContact CB-CG2 3.57Å
417F94.6Very high80.6Confident0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-91.7137.2173.3-82.7-107.4000110.3Q401 G402 L404 K406 R415 L425 F426 Y427 V439 L466 W476Q401-F417 CarbonylContact C-O 3.14Å; Q401-F417 WeakPolarHBondContact CA-O 3.47Å; Q401-F417 WeakPolarHBondContact CB-O 3.29Å; G402-F417 PolarHBondContact N-O 2.99Å; G402-F417 PolarHBondContact O-N 3.39Å; L404-F417 HydrophobicContact CB-CD2 3.53Å; L404-F417 HydrophobicContact CB-CE2 3.75Å; L404-F417 HydrophobicContact CB-CG 4.27Å; L404-F417 HydrophobicContact CD1-CB 3.95Å; L404-F417 HydrophobicContact CD1-CD1 4.15Å; L404-F417 HydrophobicContact CD1-CD2 3.85Å; L404-F417 HydrophobicContact CD1-CE2 4.33Å; L404-F417 HydrophobicContact CD1-CG 3.73Å; L404-F417 HydrophobicContact CG-CB 4.35Å; L404-F417 HydrophobicContact CG-CD2 4Å; L404-F417 HydrophobicContact CG-CG 4.27Å; K406-F417 HydrophobicContact CB-CE2 4.04Å; K406-F417 HydrophobicContact CB-CZ 3.96Å; K406-F417 HydrophobicContact CD-CZ 4.2Å; K406-F417 HydrophobicContact CG-CZ 4.2Å; R415-F417 HydrophobicContact CB-CD2 3.98Å; R415-F417 HydrophobicContact CB-CE2 3.72Å; F417-L425 HydrophobicContact CB-CD1 4.24Å; F417-L425 HydrophobicContact CD1-CD1 3.87Å; F417-L425 HydrophobicContact CD1-CD2 4.29Å; F417-L425 HydrophobicContact CD1-CG 3.94Å; F417-F426 CarbonylContact C-O 3.59Å; F417-F426 VanDerWaalsContact CA-O 3.25Å; F417-F426 WeakPolarHBondContact CA-O 3.39Å; F417-Y427 HydrophobicContact CE1-CD1 4.11Å; F417-Y427 HydrophobicContact CE1-CG 4.21Å; F417-Y427 HydrophobicContact CZ-CD1 4.31Å; F417-Y427 HydrophobicContact CZ-CG 4.07Å; F417-V439 HydrophobicContact CE1-CG2 4.46Å; F417-L466 HydrophobicContact CE1-CD1 3.94Å; F417-L466 HydrophobicContact CE1-CD2 3.94Å; F417-L466 HydrophobicContact CE2-CD2 3.95Å; F417-L466 HydrophobicContact CZ-CD1 4.18Å; F417-L466 HydrophobicContact CZ-CD2 3.34Å; F417-L466 HydrophobicContact CZ-CG 4.43Å; F417-W476 HydrophobicContact CB-CH2 3.67Å; F417-W476 HydrophobicContact CB-CZ2 4.24Å; F417-W476 HydrophobicContact CB-CZ3 4.25Å
418L93.1Very high81.5Confident0 Ų039.3 Ų39.30%019%0.187CC..EExtended strand (participates in β ladder)trans-127.4105.2179.1-48178.1000109.2F389 V393 I398 Q401 M416 T420 L425 F426 I428F389-L418 HydrophobicContact CB-CD1 3.76Å; F389-L418 HydrophobicContact CB-CD2 4.13Å; F389-L418 HydrophobicContact CD2-CD2 4.4Å; F389-L418 HydrophobicContact CG-CD2 4.39Å; V393-L418 HydrophobicContact CG1-CB 4.04Å; V393-L418 HydrophobicContact CG1-CD1 3.29Å; V393-L418 HydrophobicContact CG1-CG 4.34Å; I398-L418 HydrophobicContact CD1-CD1 4.28Å; I398-L418 HydrophobicContact CD1-CD2 4.34Å; Q401-L418 HydrophobicContact CB-CD2 3.46Å; Q401-L418 VanDerWaalsContact CB-CD2 3.46Å; Q401-L418 HydrophobicContact CG-CD2 4.47Å; M416-L418 HydrophobicContact CG-CD2 3.63Å; M416-L418 HydrophobicContact CG-CG 4.35Å; M416-L418 HydrophobicContact SD-CD2 4.1Å; L418-T420 HydrophobicContact CB-CG2 4.44Å; L418-L425 WeakPolarHBondContact O-CA 3.38Å; L418-F426 HydrophobicContact CB-CB 4.33Å; L418-F426 PolarHBondContact N-O 3.41Å; L418-F426 PolarHBondContact O-N 3.18Å; L418-I428 HydrophobicContact CD1-CD1 3.34Å; L418-I428 HydrophobicContact CG-CD1 3.93Å
419L92.5Very high82.7Confident0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-82.7128.1169.2-178.262.6000108.7I398 L399 K400 H424 L425 W441 W476 Q479 I480 V483I398-L419 CarbonylContact C-O 3.56Å; L399-L419 PolarHBondContact N-O 3.02Å; K400-L419 HydrophobicContact CB-CB 4.13Å; K400-L419 HydrophobicContact CB-CD2 4.31Å; K400-L419 PolarHBondContact N-O 2.96Å; K400-L419 PolarHBondContact O-N 3.27Å; L419-H424 CarbonylContact C-O 3.58Å; L419-H424 WeakPolarHBondContact CA-O 3.33Å; L419-L425 HydrophobicContact CB-CD1 4.05Å; L419-L425 HydrophobicContact CD1-CB 4.46Å; L419-L425 HydrophobicContact CD1-CD1 4.43Å; L419-W441 HydrophobicContact CD1-CH2 3.93Å; L419-W441 HydrophobicContact CD1-CZ2 3.52Å; L419-W476 HydrophobicContact CB-CZ3 4.26Å; L419-Q479 HydrophobicContact CD2-CB 3.91Å; L419-I480 HydrophobicContact CD1-CG1 4.49Å; L419-I480 HydrophobicContact CD2-CG1 4.29Å; L419-V483 HydrophobicContact CD1-CB 4.41Å; L419-V483 HydrophobicContact CD1-CG1 4.27Å; L419-V483 HydrophobicContact CD1-CG2 4.32Å; L419-V483 HydrophobicContact CD2-CG2 3.93Å; L419-V483 HydrophobicContact CG-CG2 4.2Å
420T88.5Confident84.1Confident0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-134.2165.6-173.3710000111.8V393 L397 I398 L418 H424 F426V393-T420 HydrophobicContact CB-CG2 3.97Å; V393-T420 HydrophobicContact CG1-CG2 3.72Å; L397-T420 WeakPolarHBondContact O-CA 2.91Å; L397-T420 VanDerWaalsContact O-CB 3.27Å; L397-T420 WeakPolarHBondContact O-CB 3.38Å; I398-T420 HydrophobicContact CG1-CG2 4.09Å; L418-T420 HydrophobicContact CB-CG2 4.44Å; T420-H424 PolarHBondContact N-O 2.66Å; T420-H424 PolarHBondContact O-N 3.46Å; T420-H424 WeakPolarHBondContact OG1-CB 3.24Å; T420-H424 PolarHBondContact OG1-O 3.38Å; T420-F426 HydrophobicContact CG2-CD2 3.94Å; T420-F426 HydrophobicContact CG2-CE2 3.92Å
421E83.4Confident85.9Confident32 Ų3236.1 Ų36.115%0.1517%0.173CC..THydrogen-bonded Turntrans-63.3156.2169.268.9-179.3167.200113.6R376 R396 L397R376-E421 IonicContact CZ-OE1 2.68Å; R376-E421 IonicContact CZ-OE2 3.48Å; R376-E421 IonicContact NE-OE1 3.13Å; R376-E421 PolarHBondContact NE-OE1 3.09Å; R376-E421 IonicContact NE-OE2 3.87Å; R376-E421 PolarHBondContact NE-OE2 2.99Å; R376-E421 IonicContact NH2-OE1 2.8Å; R376-E421 PolarHBondContact NH2-OE1 2.94Å; R376-E421 IonicContact NH2-OE2 2.78Å; R396-E421 HydrophobicContact CB-CG 4.01Å; R396-E421 WeakPolarHBondContact CD-O 3.22Å; R396-E421 PolarHBondContact NH1-O 3.16Å; R396-E421 VanDerWaalsContact NH1-O 3.08Å; L397-E421 HydrophobicContact CB-CG 4.18Å; L397-E421 PolarHBondContact N-OE1 3.27Å; L397-E421 PolarHBondContact O-N 2.84Å
422G78.5Confident87.2Confident22 Ų2234.4 Ų34.423%0.22717%0.17CC..THydrogen-bonded Turntrans69.757.1178.700000113.2R396 H424 Y487R396-G422 PolarHBondContact NH1-O 2.96Å; G422-H424 PolarHBondContact O-CD2 3.44Å; G422-H424 PolarHBondContact O-NE2 2.92Å; G422-Y487 PolarHBondContact N-OH 3.05Å
423P84.7Confident88.2Confident16 Ų1636.7 Ų36.710%0.10418%0.177CC..THydrogen-bonded Turn-55126.4-108.534.5-30.4000112.6W441 V483 Y487 F488P423-W441 HydrophobicContact CB-CD2 3.79Å; P423-W441 HydrophobicContact CB-CE3 3.74Å; P423-W441 HydrophobicContact CB-CG 4.35Å; P423-W441 HydrophobicContact CB-CH2 4.2Å; P423-W441 HydrophobicContact CB-CZ2 4.27Å; P423-W441 HydrophobicContact CB-CZ3 3.95Å; P423-W441 HydrophobicContact CG-CB 4.38Å; P423-W441 HydrophobicContact CG-CD2 3.98Å; P423-W441 HydrophobicContact CG-CE3 3.86Å; P423-W441 HydrophobicContact CG-CG 4.22Å; P423-W441 HydrophobicContact CG-CZ3 4.45Å; P423-W441 VanDerWaalsContact O-CG 3.31Å; P423-V483 HydrophobicContact CB-CG1 3.38Å; P423-Y487 HydrophobicContact CB-CD2 3.61Å; P423-Y487 HydrophobicContact CB-CE2 4.01Å; P423-Y487 HydrophobicContact CB-CG 4.24Å; P423-Y487 VanDerWaalsContact CD-CG 3.45Å; P423-Y487 HydrophobicContact CG-CD2 3.65Å; P423-Y487 HydrophobicContact CG-CE2 4.38Å; P423-Y487 HydrophobicContact CG-CG 3.76Å; P423-F488 HydrophobicContact CG-CE2 3.82Å
424H90.9Very high88.8Confident28 Ų2833 Ų3313%0.1317%0.17CC..EExtended strand (participates in β ladder)trans-133.9148.7172.1-60.6-91.6000111.5R396 L419 T420 G422 F426 E438 W441R396-H424 WeakPolarHBondContact CD-CD2 3.4Å; R396-H424 PolarHBondContact NE-CD2 2.9Å; R396-H424 PolarHBondContact NE-NE2 3.03Å; R396-H424 VanDerWaalsContact NE-NE2 3.16Å; R396-H424 PolarHBondContact NH1-CD2 3.35Å; R396-H424 PolarHBondContact NH1-NE2 3.14Å; R396-H424 PolarHBondContact NH2-NE2 3.04Å; L419-H424 CarbonylContact C-O 3.58Å; L419-H424 WeakPolarHBondContact CA-O 3.33Å; T420-H424 PolarHBondContact N-O 2.66Å; T420-H424 PolarHBondContact O-N 3.46Å; T420-H424 WeakPolarHBondContact OG1-CB 3.24Å; T420-H424 PolarHBondContact OG1-O 3.38Å; G422-H424 PolarHBondContact O-CD2 3.44Å; G422-H424 PolarHBondContact O-NE2 2.92Å; H424-F426 HydrophobicContact CB-CD2 4.05Å; H424-F426 HydrophobicContact CB-CE1 4.27Å; H424-F426 HydrophobicContact CB-CE2 3.33Å; H424-F426 HydrophobicContact CB-CZ 3.46Å; H424-F426 VanDerWaalsContact CB-CZ 3.46Å; H424-F426 AromaticContact CG-CZ 3.72Å; H424-E438 IonicContact CE1-OE1 3.43Å; H424-E438 IonicContact CG-OE1 2.83Å; H424-E438 IonicContact ND1-OE1 3.32Å; H424-E438 PolarHBondContact ND1-OE1 3.23Å; H424-E438 IonicContact ND1-OE2 3.62Å; H424-W441 VanDerWaalsContact C-NE1 3.31Å
425L94.6Very high89.2Confident1 Ų132.6 Ų32.61%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-130.193.9174.7-179.759.8000108.8F417 L418 L419 E438 V439 W441 I457 W476 I480F417-L425 HydrophobicContact CB-CD1 4.24Å; F417-L425 HydrophobicContact CD1-CD1 3.87Å; F417-L425 HydrophobicContact CD1-CD2 4.29Å; F417-L425 HydrophobicContact CD1-CG 3.94Å; L418-L425 WeakPolarHBondContact O-CA 3.38Å; L419-L425 HydrophobicContact CB-CD1 4.05Å; L419-L425 HydrophobicContact CD1-CB 4.46Å; L419-L425 HydrophobicContact CD1-CD1 4.43Å; L425-E438 WeakPolarHBondContact O-CA 3.5Å; L425-V439 HydrophobicContact CB-CB 4.08Å; L425-V439 HydrophobicContact CB-CG2 4.2Å; L425-V439 HydrophobicContact CD2-CB 4.2Å; L425-V439 HydrophobicContact CD2-CG2 3.74Å; L425-V439 HydrophobicContact CG-CB 4.34Å; L425-V439 HydrophobicContact CG-CG2 3.92Å; L425-V439 PolarHBondContact O-N 2.95Å; L425-W441 HydrophobicContact CB-CZ2 4.06Å; L425-I457 HydrophobicContact CD2-CD1 3.45Å; L425-I457 VanDerWaalsContact CD2-CD1 3.45Å; L425-W476 HydrophobicContact CD1-CZ3 4.02Å; L425-I480 HydrophobicContact CD2-CD1 3.99Å; L425-I480 HydrophobicContact CD2-CG1 4.43Å
426F94.1Very high89.2Confident0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-85.1150.8-179.5-56.7-79.6000110.5V393 F417 L418 T420 H424 L435 E438V393-F426 HydrophobicContact CB-CD2 4.39Å; V393-F426 HydrophobicContact CB-CE2 4.21Å; V393-F426 HydrophobicContact CG1-CD2 3.89Å; V393-F426 HydrophobicContact CG1-CE2 4.22Å; F417-F426 CarbonylContact C-O 3.59Å; F417-F426 VanDerWaalsContact CA-O 3.25Å; F417-F426 WeakPolarHBondContact CA-O 3.39Å; L418-F426 HydrophobicContact CB-CB 4.33Å; L418-F426 PolarHBondContact N-O 3.41Å; L418-F426 PolarHBondContact O-N 3.18Å; T420-F426 HydrophobicContact CG2-CD2 3.94Å; T420-F426 HydrophobicContact CG2-CE2 3.92Å; H424-F426 HydrophobicContact CB-CD2 4.05Å; H424-F426 HydrophobicContact CB-CE1 4.27Å; H424-F426 HydrophobicContact CB-CE2 3.33Å; H424-F426 HydrophobicContact CB-CZ 3.46Å; H424-F426 VanDerWaalsContact CB-CZ 3.46Å; H424-F426 AromaticContact CG-CZ 3.72Å; F426-L435 HydrophobicContact CB-CD1 4.05Å; F426-L435 HydrophobicContact CD1-CD1 4.14Å; F426-E438 HydrophobicContact CD1-CB 4.38Å; F426-E438 HydrophobicContact CD1-CG 3.86Å; F426-E438 HydrophobicContact CE1-CG 3.94Å; F426-E438 VanDerWaalsContact CE1-OE2 3.28Å; F426-E438 WeakPolarHBondContact CE1-OE2 3.48Å
427Y94.5Very high89.1Confident25 Ų2536.3 Ų36.310%0.09819%0.194CC..EExtended strand (participates in β ladder)trans-133.2129.8169.660.4-90.9000112.4K406 R415 M416 F417 K436 G437 Y464K406-Y427 HydrophobicContact CD-CD2 4.21Å; K406-Y427 HydrophobicContact CD-CE2 4.13Å; K406-Y427 HydrophobicContact CD-CG 4.5Å; R415-Y427 HydrophobicContact CG-CD2 4.23Å; M416-Y427 CarbonylContact O-C 3.34Å; M416-Y427 VanDerWaalsContact O-CA 3.29Å; M416-Y427 WeakPolarHBondContact O-CA 3.46Å; F417-Y427 HydrophobicContact CE1-CD1 4.11Å; F417-Y427 HydrophobicContact CE1-CG 4.21Å; F417-Y427 HydrophobicContact CZ-CD1 4.31Å; F417-Y427 HydrophobicContact CZ-CG 4.07Å; Y427-K436 HydrophobicContact CD2-CB 3.65Å; Y427-K436 VanDerWaalsContact CE2-C 3.4Å; Y427-K436 HydrophobicContact CE2-CB 3.48Å; Y427-K436 VanDerWaalsContact CE2-CB 3.48Å; Y427-K436 WeakPolarHBondContact CE2-O 3.47Å; Y427-K436 PolarHBondContact O-N 3.45Å; Y427-K436 PolarHBondContact OH-O 3.41Å; Y427-G437 WeakPolarHBondContact CD1-O 3.4Å; Y427-G437 PolarHBondContact N-O 3.18Å; Y427-G437 PolarHBondContact O-N 3.4Å; Y427-Y464 AromaticContact CE1-CE1 3.91Å; Y427-Y464 HydrophobicContact CE1-CE1 3.91Å
428I91.9Very high89Confident0 Ų038.8 Ų38.80%021%0.206CC..EExtended strand (participates in β ladder)trans-118.8143.9-169.1-64.8150.2000109.9F389 F392 R415 M416 L418 T434 L435F389-I428 HydrophobicContact CB-CD1 4.19Å; F389-I428 HydrophobicContact CD1-CD1 4.13Å; F389-I428 HydrophobicContact CD1-CG2 4.46Å; F389-I428 HydrophobicContact CG-CD1 4.47Å; F392-I428 HydrophobicContact CB-CD1 3.72Å; F392-I428 HydrophobicContact CB-CG1 4.2Å; F392-I428 HydrophobicContact CD2-CD1 3.38Å; F392-I428 HydrophobicContact CD2-CG1 3.93Å; F392-I428 HydrophobicContact CD2-CG2 4.31Å; F392-I428 HydrophobicContact CE2-CD1 4.19Å; F392-I428 HydrophobicContact CE2-CG1 4.5Å; F392-I428 HydrophobicContact CE2-CG2 4.07Å; F392-I428 HydrophobicContact CG-CD1 3.72Å; F392-I428 HydrophobicContact CG-CG1 4Å; F392-I428 HydrophobicContact CZ-CG2 4.46Å; R415-I428 CarbonylContact C-O 3.45Å; R415-I428 WeakPolarHBondContact CA-O 3.3Å; R415-I428 WeakPolarHBondContact CB-O 3.47Å; R415-I428 VanDerWaalsContact CD-O 3.29Å; R415-I428 WeakPolarHBondContact CD-O 3.26Å; M416-I428 HydrophobicContact CB-CB 4.3Å; M416-I428 PolarHBondContact N-O 3.29Å; M416-I428 PolarHBondContact O-N 3.02Å; L418-I428 HydrophobicContact CD1-CD1 3.34Å; L418-I428 HydrophobicContact CG-CD1 3.93Å; I428-T434 WeakPolarHBondContact CA-O 3.15Å; I428-T434 WeakPolarHBondContact CG2-O 3.21Å; I428-L435 HydrophobicContact CG1-CD1 4.12Å
429D87.6Confident88.8Confident10 Ų1038.8 Ų38.85%0.05321%0.206CC..EExtended strand (participates in β ladder)trans-85.7110.9168-171.4-53000108.8R415 E431 N432 M433 T434 K436R415-D429 IonicContact CZ-OD2 3.27Å; R415-D429 IonicContact NH1-OD2 2.73Å; R415-D429 PolarHBondContact NH1-OD2 3.26Å; R415-D429 IonicContact NH2-OD2 2.81Å; R415-D429 PolarHBondContact NH2-OD2 3.23Å; D429-E431 PolarHBondContact OD1-N 3.42Å; D429-N432 PolarHBondContact OD1-N 3.45Å; D429-N432 VanDerWaalsContact OD1-N 3.09Å; D429-N432 PolarHBondContact OD1-ND2 2.97Å; D429-M433 WeakPolarHBondContact O-CA 3.37Å; D429-M433 PolarHBondContact O-N 2.67Å; D429-T434 PolarHBondContact N-O 3.1Å; D429-T434 PolarHBondContact O-N 3.44Å; D429-T434 VanDerWaalsContact O-N 3.12Å; D429-K436 HydrophobicContact CB-CD 4.1Å; D429-K436 HydrophobicContact CB-CG 3.69Å; D429-K436 WeakPolarHBondContact OD2-CE 3.38Å; D429-K436 IonicContact OD2-NZ 3.58Å
430V82.9Confident88.2Confident54 Ų5440.6 Ų40.633%0.32722%0.224SC..THydrogen-bonded Turntrans-72.2-33.6-171.6-176.70000111.6I403 M416 M433I403-V430 HydrophobicContact CD1-CG2 3.82Å; M416-V430 HydrophobicContact CB-CG2 3.57Å; V430-M433 PolarHBondContact O-N 3.2Å
431E81.9Confident88Confident167 Ų16742.4 Ų42.478%0.7823%0.231SC*.THydrogen-bonded Turntrans-65.8-45179-66.9169.1-169.900110.6D429D429-E431 PolarHBondContact OD1-N 3.42Å
432N84Confident87.8Confident99 Ų9942.1 Ų42.153%0.52923%0.233SC..THydrogen-bonded Turntrans-91.6-6-178.8-63.3-76.8000113.3D429 T434D429-N432 PolarHBondContact OD1-N 3.45Å; D429-N432 VanDerWaalsContact OD1-N 3.09Å; D429-N432 PolarHBondContact OD1-ND2 2.97Å; N432-T434 VanDerWaalsContact C-N 3.32Å; N432-T434 HydrophobicContact CB-CG2 4.25Å; N432-T434 WeakPolarHBondContact O-CG2 3.4Å; N432-T434 PolarHBondContact O-N 3.3Å
433M88.6Confident87.8Confident71 Ų7145.2 Ų45.235%0.3524%0.244SC..THydrogen-bonded Turntrans45.653.1-169.3-74.7-66.6-72.900112.5P388 F389 F392 D429 V430P388-M433 HydrophobicContact CB-CE 4.28Å; F389-M433 HydrophobicContact CD1-CE 4.28Å; F389-M433 HydrophobicContact CD1-SD 4.32Å; F389-M433 HydrophobicContact CE1-CE 4.32Å; F389-M433 HydrophobicContact CE1-SD 3.87Å; F392-M433 HydrophobicContact CE2-CE 3.99Å; F392-M433 HydrophobicContact CZ-CE 4.48Å; F392-M433 VanDerWaalsContact CZ-O 3.23Å; F392-M433 WeakPolarHBondContact CZ-O 3.12Å; D429-M433 WeakPolarHBondContact O-CA 3.37Å; D429-M433 PolarHBondContact O-N 2.67Å; V430-M433 PolarHBondContact O-N 3.2Å
434T91.1Very high87.7Confident56 Ų5647.9 Ų47.934%0.34426%0.263SS..EExtended strand (participates in β ladder)trans-127.1139.3-179.251.90000113.1I428 D429 N432 K436I428-T434 WeakPolarHBondContact CA-O 3.15Å; I428-T434 WeakPolarHBondContact CG2-O 3.21Å; D429-T434 PolarHBondContact N-O 3.1Å; D429-T434 PolarHBondContact O-N 3.44Å; D429-T434 VanDerWaalsContact O-N 3.12Å; N432-T434 VanDerWaalsContact C-N 3.32Å; N432-T434 HydrophobicContact CB-CG2 4.25Å; N432-T434 WeakPolarHBondContact O-CG2 3.4Å; N432-T434 PolarHBondContact O-N 3.3Å; T434-K436 PolarHBondContact O-N 3.19Å; T434-K436 WeakPolarHBondContact OG1-CE 3.3Å; T434-K436 PolarHBondContact OG1-NZ 2.93Å
435L92.9Very high87.5Confident67 Ų6746.6 Ų46.635%0.35126%0.257SS..EExtended strand (participates in β ladder)trans-68.6119171.5-179.163.6000109.7F392 F426 I428F392-L435 HydrophobicContact CD1-CB 3.9Å; F392-L435 HydrophobicContact CE1-CB 4.44Å; F426-L435 HydrophobicContact CB-CD1 4.05Å; F426-L435 HydrophobicContact CD1-CD1 4.14Å; I428-L435 HydrophobicContact CG1-CD1 4.12Å
436K90.2Very high87.3Confident93 Ų9350.1 Ų50.140%0.40428%0.279SS..EExtended strand (participates in β ladder)trans-96.1-15.7178.9-66-63.2-174.8-171.30113.2Y427 D429 T434Y427-K436 HydrophobicContact CD2-CB 3.65Å; Y427-K436 VanDerWaalsContact CE2-C 3.4Å; Y427-K436 HydrophobicContact CE2-CB 3.48Å; Y427-K436 VanDerWaalsContact CE2-CB 3.48Å; Y427-K436 WeakPolarHBondContact CE2-O 3.47Å; Y427-K436 PolarHBondContact O-N 3.45Å; Y427-K436 PolarHBondContact OH-O 3.41Å; D429-K436 HydrophobicContact CB-CD 4.1Å; D429-K436 HydrophobicContact CB-CG 3.69Å; D429-K436 WeakPolarHBondContact OD2-CE 3.38Å; D429-K436 IonicContact OD2-NZ 3.58Å; T434-K436 PolarHBondContact O-N 3.19Å; T434-K436 WeakPolarHBondContact OG1-CE 3.3Å; T434-K436 PolarHBondContact OG1-NZ 2.93Å
437G91.6Very high87.2Confident22 Ų2251.5 Ų51.523%0.22729%0.287CS..EExtended strand (participates in β ladder)trans152.4-163.9171.100000113.1Y427Y427-G437 WeakPolarHBondContact CD1-O 3.4Å; Y427-G437 PolarHBondContact N-O 3.18Å; Y427-G437 PolarHBondContact O-N 3.4Å
438E92Very high86.9Confident52 Ų5253.6 Ų53.624%0.24330%0.298CS..EExtended strand (participates in β ladder)trans-137.5147.8-172.9-157.2-175.8129.600109.1R394 H424 L425 F426 Y464R394-E438 IonicContact CZ-OE2 2.75Å; R394-E438 IonicContact NH1-OE2 3.8Å; R394-E438 PolarHBondContact NH1-OE2 3.28Å; R394-E438 IonicContact NH2-OE2 2.72Å; R394-E438 PolarHBondContact NH2-OE2 3.32Å; H424-E438 IonicContact CE1-OE1 3.43Å; H424-E438 IonicContact CG-OE1 2.83Å; H424-E438 IonicContact ND1-OE1 3.32Å; H424-E438 PolarHBondContact ND1-OE1 3.23Å; H424-E438 IonicContact ND1-OE2 3.62Å; L425-E438 WeakPolarHBondContact O-CA 3.5Å; F426-E438 HydrophobicContact CD1-CB 4.38Å; F426-E438 HydrophobicContact CD1-CG 3.86Å; F426-E438 HydrophobicContact CE1-CG 3.94Å; F426-E438 VanDerWaalsContact CE1-OE2 3.28Å; F426-E438 WeakPolarHBondContact CE1-OE2 3.48Å; E438-Y464 PolarHBondContact O-OH 3.03Å
439V89Confident86.7Confident0 Ų057.4 Ų57.40%032%0.318CS..EExtended strand (participates in β ladder)trans-79.6126.5165.9-178.80000107.9F417 L425 W441 L445 I457 V459 Y464F417-V439 HydrophobicContact CE1-CG2 4.46Å; L425-V439 HydrophobicContact CB-CB 4.08Å; L425-V439 HydrophobicContact CB-CG2 4.2Å; L425-V439 HydrophobicContact CD2-CB 4.2Å; L425-V439 HydrophobicContact CD2-CG2 3.74Å; L425-V439 HydrophobicContact CG-CB 4.34Å; L425-V439 HydrophobicContact CG-CG2 3.92Å; L425-V439 PolarHBondContact O-N 2.95Å; V439-W441 PolarHBondContact O-N 2.73Å; V439-L445 HydrophobicContact CG1-CD1 4.34Å; V439-I457 HydrophobicContact CG1-CG2 4Å; V439-I457 HydrophobicContact CG2-CD1 4.41Å; V439-V459 HydrophobicContact CG1-CG1 3.92Å; V439-Y464 HydrophobicContact CB-CE1 4.44Å; V439-Y464 HydrophobicContact CB-CE2 4.28Å; V439-Y464 HydrophobicContact CG1-CD2 3.98Å; V439-Y464 HydrophobicContact CG1-CE2 3.79Å; V439-Y464 HydrophobicContact CG2-CD1 3.8Å; V439-Y464 HydrophobicContact CG2-CD2 4.28Å; V439-Y464 HydrophobicContact CG2-CE1 3.69Å; V439-Y464 HydrophobicContact CG2-CE2 4.21Å; V439-Y464 HydrophobicContact CG2-CG 4.1Å
440G80.2Confident86.3Confident38 Ų3863.3 Ų63.339%0.39234%0.339SS..  trans-69.4113.1179.800000111.1V459G440-V459 WeakPolarHBondContact O-CG1 3.3Å
441W83Confident86.1Confident38 Ų3862.8 Ų62.814%0.14434%0.338CS..  trans-80.3136.7177.9-75.281.8000111.3L419 P423 H424 L425 V439 L445 I480 V483 K484 F488L419-W441 HydrophobicContact CD1-CH2 3.93Å; L419-W441 HydrophobicContact CD1-CZ2 3.52Å; P423-W441 HydrophobicContact CB-CD2 3.79Å; P423-W441 HydrophobicContact CB-CE3 3.74Å; P423-W441 HydrophobicContact CB-CG 4.35Å; P423-W441 HydrophobicContact CB-CH2 4.2Å; P423-W441 HydrophobicContact CB-CZ2 4.27Å; P423-W441 HydrophobicContact CB-CZ3 3.95Å; P423-W441 HydrophobicContact CG-CB 4.38Å; P423-W441 HydrophobicContact CG-CD2 3.98Å; P423-W441 HydrophobicContact CG-CE3 3.86Å; P423-W441 HydrophobicContact CG-CG 4.22Å; P423-W441 HydrophobicContact CG-CZ3 4.45Å; P423-W441 VanDerWaalsContact O-CG 3.31Å; H424-W441 VanDerWaalsContact C-NE1 3.31Å; L425-W441 HydrophobicContact CB-CZ2 4.06Å; V439-W441 PolarHBondContact O-N 2.73Å; W441-L445 HydrophobicContact CD2-CD1 4.07Å; W441-L445 HydrophobicContact CE3-CD1 3.97Å; W441-L445 HydrophobicContact CG-CD1 4.49Å; W441-L445 HydrophobicContact CZ3-CD1 4.38Å; W441-I480 HydrophobicContact CH2-CG2 3.76Å; W441-I480 HydrophobicContact CZ2-CG2 4.35Å; W441-I480 HydrophobicContact CZ3-CG2 4.39Å; W441-V483 HydrophobicContact CH2-CB 4.11Å; W441-V483 HydrophobicContact CH2-CG1 3.71Å; W441-V483 HydrophobicContact CZ2-CG1 4.36Å; W441-V483 HydrophobicContact CZ3-CG1 4.06Å; W441-K484 HydrophobicContact CZ3-CB 3.91Å; W441-F488 HydrophobicContact CB-CE2 4.43Å; W441-F488 HydrophobicContact CB-CZ 4.5Å; W441-F488 HydrophobicContact CE3-CE2 4.31Å
442S79.9Confident85.8Confident26 Ų2659.7 Ų59.718%0.18233%0.327CS..  trans-157.5164.5175.762.50000109.8S444 L445 P460S442-S444 PolarHBondContact O-N 2.87Å; S442-S444 PolarHBondContact OG-OG 3.33Å; S442-L445 WeakPolarHBondContact O-CB 3.45Å; S442-L445 PolarHBondContact O-N 2.92Å; S442-L445 PolarHBondContact OG-N 3.03Å; S442-P460 WeakPolarHBondContact OG-CD 3.3Å
443D78.9Confident85.7Confident87 Ų8759 Ų5947%0.46532%0.319SS..THydrogen-bonded Turntrans-60.3-31.9171.8-173.449.2000112.2L445 K484 F488D443-L445 PolarHBondContact O-N 3.3Å; D443-K484 WeakPolarHBondContact O-CE 3.48Å; D443-K484 PolarHBondContact O-NZ 3.09Å; D443-F488 HydrophobicContact CB-CB 4.48Å; D443-F488 HydrophobicContact CB-CD1 3.92Å; D443-F488 HydrophobicContact CB-CG 4.46Å
444S82Confident85.4Confident71 Ų7156.6 Ų56.650%0.49731%0.308SS..THydrogen-bonded Turntrans-74-2.9174.753.10000115.1S442 T446 P460S442-S444 PolarHBondContact O-N 2.87Å; S442-S444 PolarHBondContact OG-OG 3.33Å; S444-T446 PolarHBondContact O-N 3.26Å; S444-P460 WeakPolarHBondContact OG-CD 3.4Å; S444-P460 WeakPolarHBondContact OG-CG 3.35Å
445L87.7Confident85.2Confident1 Ų154 Ų541%0.00529%0.291CS..  trans-63.7126.1-180-177.4154000110.3V439 W441 S442 D443 V447 I457 H458 V459 I480 K484V439-L445 HydrophobicContact CG1-CD1 4.34Å; W441-L445 HydrophobicContact CD2-CD1 4.07Å; W441-L445 HydrophobicContact CE3-CD1 3.97Å; W441-L445 HydrophobicContact CG-CD1 4.49Å; W441-L445 HydrophobicContact CZ3-CD1 4.38Å; S442-L445 WeakPolarHBondContact O-CB 3.45Å; S442-L445 PolarHBondContact O-N 2.92Å; S442-L445 PolarHBondContact OG-N 3.03Å; D443-L445 PolarHBondContact O-N 3.3Å; L445-V447 HydrophobicContact CD2-CG2 3.8Å; L445-I457 HydrophobicContact CD1-CG2 3.94Å; L445-I457 HydrophobicContact CD2-CG2 4.02Å; L445-I457 HydrophobicContact CG-CG2 3.86Å; L445-H458 CarbonylContact C-O 3.58Å; L445-H458 VanDerWaalsContact CA-O 3.26Å; L445-H458 WeakPolarHBondContact CA-O 3.43Å; L445-V459 HydrophobicContact CB-CG1 4.4Å; L445-V459 HydrophobicContact CD1-CG1 3.84Å; L445-V459 HydrophobicContact CG-CG1 4Å; L445-I480 HydrophobicContact CD2-CG2 4.04Å; L445-K484 HydrophobicContact CD2-CD 4.3Å; L445-K484 VanDerWaalsContact O-CD 3.25Å; L445-K484 WeakPolarHBondContact O-CD 3.22Å; L445-K484 WeakPolarHBondContact O-CE 3.36Å; L445-K484 PolarHBondContact O-NZ 3.26Å
446T89.7Confident85.1Confident75 Ų7551.8 Ų51.846%0.4628%0.279SS..EExtended strand (participates in β ladder)trans-124.3155.2172.261.70000110.6S444 I457 H458S444-T446 PolarHBondContact O-N 3.26Å; T446-I457 WeakPolarHBondContact O-CA 3.41Å; T446-H458 PolarHBondContact N-O 3.33Å; T446-H458 PolarHBondContact O-N 2.86Å; T446-H458 WeakPolarHBondContact OG1-CB 3.32Å
447V92.8Very high85.1Confident29 Ų2947.3 Ų47.318%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-127.2126.6179.4-163.50000108.9L445 F455 F456 I457 V477 I480L445-V447 HydrophobicContact CD2-CG2 3.8Å; V447-F455 HydrophobicContact CG1-CD2 3.94Å; V447-F456 CarbonylContact C-O 3.5Å; V447-F456 VanDerWaalsContact CA-O 3.3Å; V447-F456 WeakPolarHBondContact CA-O 3.4Å; V447-F456 WeakPolarHBondContact CG1-O 3.45Å; V447-I457 HydrophobicContact CG1-CG1 4.32Å; V447-V477 HydrophobicContact CB-CG1 4.16Å; V447-V477 HydrophobicContact CG1-CB 4.1Å; V447-V477 HydrophobicContact CG1-CG1 3.95Å; V447-V477 HydrophobicContact CG1-CG2 3.68Å; V447-I480 HydrophobicContact CG2-CB 4.1Å; V447-I480 HydrophobicContact CG2-CG2 3.51Å
448E87.2Confident84.8Confident69 Ų6948.6 Ų48.632%0.32226%0.26SS..EExtended strand (participates in β ladder)trans-115.8123-176.4-174.7-168.7171.700109.7R450 F455 F456 H458E448-R450 WeakPolarHBondContact OE1-CD 3.37Å; E448-R450 IonicContact OE1-CZ 3.54Å; E448-R450 IonicContact OE1-NE 3.71Å; E448-R450 IonicContact OE1-NH1 2.91Å; E448-R450 PolarHBondContact OE1-NH1 3.46Å; E448-R450 IonicContact OE2-NH1 3.35Å; E448-F455 CarbonylContact O-C 3.56Å; E448-F455 WeakPolarHBondContact O-CA 3.49Å; E448-F455 WeakPolarHBondContact O-CB 3.48Å; E448-F456 HydrophobicContact CB-CB 4.42Å; E448-F456 PolarHBondContact N-O 3.44Å; E448-F456 PolarHBondContact O-N 2.63Å; E448-H458 IonicContact OE2-CE1 2.67Å; E448-H458 IonicContact OE2-NE2 3.66Å; E448-H458 PolarHBondContact OE2-NE2 3.39Å
449L88.3Confident84.3Confident81 Ų8147 Ų4742%0.42425%0.254SS..EExtended strand (participates in β ladder)trans-86.6127.8171.2-172.168.4000109.5S451 F455 A473 D474 V477L449-S451 WeakPolarHBondContact CD1-O 3.49Å; L449-F455 HydrophobicContact CD1-CB 4.23Å; L449-A473 HydrophobicContact CD1-CB 3.74Å; L449-D474 HydrophobicContact CD1-CB 4.32Å; L449-D474 HydrophobicContact CD2-CB 3.88Å; L449-V477 HydrophobicContact CB-CG2 4.15Å; L449-V477 HydrophobicContact CD1-CG2 3.98Å
450R78.8Confident83.7Confident133 Ų13350.4 Ų50.450%0.50228%0.276SS..  trans-109.2-33.2179.3-59-70.7-67.9-152.5-2.7112.9E448 L454 F456E448-R450 WeakPolarHBondContact OE1-CD 3.37Å; E448-R450 IonicContact OE1-CZ 3.54Å; E448-R450 IonicContact OE1-NE 3.71Å; E448-R450 IonicContact OE1-NH1 2.91Å; E448-R450 PolarHBondContact OE1-NH1 3.46Å; E448-R450 IonicContact OE2-NH1 3.35Å; R450-L454 HydrophobicContact CB-CB 3.82Å; R450-L454 PolarHBondContact N-O 2.88Å; R450-F456 HydrophobicContact CG-CD1 4.41Å; R450-F456 HydrophobicContact CG-CD2 3.81Å; R450-F456 HydrophobicContact CG-CE1 4.05Å; R450-F456 HydrophobicContact CG-CE2 3.45Å; R450-F456 VanDerWaalsContact CG-CE2 3.45Å; R450-F456 HydrophobicContact CG-CG 4.3Å; R450-F456 HydrophobicContact CG-CZ 3.58Å
451S77.8Confident83.1Confident43 Ų4356.5 Ų56.530%0.30130%0.299SS..SBendtrans-156.1179.4173.976.10000109.6L449 K453 L454L449-S451 WeakPolarHBondContact CD1-O 3.49Å; S451-K453 PolarHBondContact O-N 2.89Å; S451-K453 PolarHBondContact OG-N 3.2Å; S451-L454 PolarHBondContact N-O 2.79Å; S451-L454 PolarHBondContact O-N 3.15Å; S451-L454 WeakPolarHBondContact OG-CB 3.47Å; S451-L454 PolarHBondContact OG-N 3.21Å
452N77.2Confident82.7Confident102 Ų10258.5 Ų58.555%0.54531%0.309SS..SBendtrans-57.5-26.2172.264.3-31.5000113.2G471 H472 A473N452-G471 CarbonylContact O-C 3.52Å; N452-G471 VanDerWaalsContact O-CA 3.25Å; N452-G471 WeakPolarHBondContact O-CA 3.28Å; N452-H472 PolarHBondContact O-N 2.99Å; N452-A473 WeakPolarHBondContact O-CB 3.37Å; N452-A473 PolarHBondContact O-N 2.92Å
453K80.6Confident82.6Confident85 Ų8558.5 Ų58.537%0.3731%0.308SS..SBendtrans-101.4-23.8176.8-67.1-173.2174.4-174.20113.5S451 E467 D468 A473S451-K453 PolarHBondContact O-N 2.89Å; S451-K453 PolarHBondContact OG-N 3.2Å; K453-E467 HydrophobicContact CB-CG 4.14Å; K453-E467 CarbonylContact O-C 3.59Å; K453-E467 VanDerWaalsContact O-CA 3.25Å; K453-E467 WeakPolarHBondContact O-CA 3.49Å; K453-D468 WeakPolarHBondContact CB-O 3.36Å; K453-D468 WeakPolarHBondContact CG-O 3.28Å; K453-D468 PolarHBondContact O-N 3.1Å; K453-A473 VanDerWaalsContact C-CB 3.47Å
454L82.3Confident83Confident21 Ų2154.8 Ų54.811%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-109.4132.2-169-81.7164.7000113.8P339 R450 S451 F456 L466 E467P339-L454 HydrophobicContact CB-CD2 4.34Å; P339-L454 HydrophobicContact CG-CD1 3.51Å; P339-L454 HydrophobicContact CG-CD2 3.01Å; P339-L454 HydrophobicContact CG-CG 3.5Å; R450-L454 HydrophobicContact CB-CB 3.82Å; R450-L454 PolarHBondContact N-O 2.88Å; S451-L454 PolarHBondContact N-O 2.79Å; S451-L454 PolarHBondContact O-N 3.15Å; S451-L454 WeakPolarHBondContact OG-CB 3.47Å; S451-L454 PolarHBondContact OG-N 3.21Å; L454-F456 HydrophobicContact CD2-CE1 4.21Å; L454-L466 WeakPolarHBondContact CD2-O 3.44Å; L454-E467 HydrophobicContact CD2-CB 4.16Å; L454-E467 HydrophobicContact CD2-CG 4.44Å
455F88.1Confident83Confident0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-148.4150.3168.372.1-76000111.6L404 V447 E448 L449 I457 L466 A473 W476 V477 I480L404-F455 HydrophobicContact CD1-CE1 3.99Å; L404-F455 HydrophobicContact CD1-CZ 3.56Å; L404-F455 HydrophobicContact CD2-CE1 3.97Å; L404-F455 HydrophobicContact CD2-CZ 4.37Å; V447-F455 HydrophobicContact CG1-CD2 3.94Å; E448-F455 CarbonylContact O-C 3.56Å; E448-F455 WeakPolarHBondContact O-CA 3.49Å; E448-F455 WeakPolarHBondContact O-CB 3.48Å; L449-F455 HydrophobicContact CD1-CB 4.23Å; F455-I457 HydrophobicContact CD2-CG1 4.31Å; F455-I457 HydrophobicContact CE2-CD1 4.2Å; F455-I457 HydrophobicContact CE2-CG1 4.07Å; F455-L466 HydrophobicContact CD1-CB 4.11Å; F455-L466 HydrophobicContact CD2-CB 4.48Å; F455-L466 HydrophobicContact CE1-CB 3.68Å; F455-L466 HydrophobicContact CE1-CD1 4.46Å; F455-L466 HydrophobicContact CE2-CB 4.09Å; F455-L466 HydrophobicContact CE2-CD1 3.62Å; F455-L466 HydrophobicContact CE2-CG 4.41Å; F455-L466 HydrophobicContact CZ-CB 3.69Å; F455-L466 HydrophobicContact CZ-CD1 3.6Å; F455-L466 HydrophobicContact CZ-CG 4.27Å; F455-L466 PolarHBondContact N-O 3.24Å; F455-L466 CarbonylContact O-C 3.55Å; F455-L466 WeakPolarHBondContact O-CB 3.42Å; F455-L466 PolarHBondContact O-N 2.75Å; F455-A473 HydrophobicContact CB-CB 4.3Å; F455-A473 HydrophobicContact CD1-CB 3.72Å; F455-A473 HydrophobicContact CG-CB 4.39Å; F455-W476 HydrophobicContact CD1-CB 4.41Å; F455-W476 HydrophobicContact CD2-CB 4.48Å; F455-W476 HydrophobicContact CE1-CB 3.8Å; F455-W476 HydrophobicContact CE1-CG 4.02Å; F455-W476 HydrophobicContact CE2-CB 3.88Å; F455-W476 HydrophobicContact CZ-CB 3.47Å; F455-W476 VanDerWaalsContact CZ-CB 3.47Å; F455-W476 HydrophobicContact CZ-CD2 4.23Å; F455-W476 AromaticContact CZ-CG 3.75Å; F455-W476 HydrophobicContact CZ-CG 3.75Å; F455-V477 HydrophobicContact CB-CG2 3.54Å; F455-V477 HydrophobicContact CD2-CG2 4.03Å; F455-V477 HydrophobicContact CG-CG2 3.97Å; F455-I480 HydrophobicContact CE2-CD1 3.89Å
456F90Very high83.1Confident21 Ų2152.7 Ų52.79%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-115.6141.3-178.7-53.7-23.4000110V447 E448 R450 L454 T463 Y464 Y465V447-F456 CarbonylContact C-O 3.5Å; V447-F456 VanDerWaalsContact CA-O 3.3Å; V447-F456 WeakPolarHBondContact CA-O 3.4Å; V447-F456 WeakPolarHBondContact CG1-O 3.45Å; E448-F456 HydrophobicContact CB-CB 4.42Å; E448-F456 PolarHBondContact N-O 3.44Å; E448-F456 PolarHBondContact O-N 2.63Å; R450-F456 HydrophobicContact CG-CD1 4.41Å; R450-F456 HydrophobicContact CG-CD2 3.81Å; R450-F456 HydrophobicContact CG-CE1 4.05Å; R450-F456 HydrophobicContact CG-CE2 3.45Å; R450-F456 VanDerWaalsContact CG-CE2 3.45Å; R450-F456 HydrophobicContact CG-CG 4.3Å; R450-F456 HydrophobicContact CG-CZ 3.58Å; L454-F456 HydrophobicContact CD2-CE1 4.21Å; F456-T463 HydrophobicContact CB-CG2 4.01Å; F456-Y464 VanDerWaalsContact CA-O 3.32Å; F456-Y464 WeakPolarHBondContact CA-O 3.48Å; F456-Y465 AromaticContact CD1-CD1 3.57Å; F456-Y465 HydrophobicContact CD1-CD1 3.57Å; F456-Y465 HydrophobicContact CD1-CE1 4.4Å; F456-Y465 HydrophobicContact CD1-CG 4.26Å; F456-Y465 HydrophobicContact CD2-CD1 4.11Å; F456-Y465 HydrophobicContact CD2-CE1 4.16Å; F456-Y465 AromaticContact CE1-CD1 3.51Å; F456-Y465 HydrophobicContact CE1-CD1 3.51Å; F456-Y465 HydrophobicContact CE1-CE1 4.4Å; F456-Y465 HydrophobicContact CE1-CG 4.33Å; F456-Y465 AromaticContact CE2-CD1 3.99Å; F456-Y465 HydrophobicContact CE2-CD1 3.99Å; F456-Y465 HydrophobicContact CE2-CE1 4.08Å; F456-Y465 AromaticContact CG-CD1 3.91Å; F456-Y465 HydrophobicContact CG-CD1 3.91Å; F456-Y465 HydrophobicContact CG-CE1 4.32Å; F456-Y465 AromaticContact CZ-CD1 3.69Å; F456-Y465 HydrophobicContact CZ-CD1 3.69Å; F456-Y465 HydrophobicContact CZ-CE1 4.21Å
457I91.1Very high82.9Confident0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-110.9118.3169.6-49.4171000108L425 V439 L445 T446 V447 F455 V459 T463 Y464 L466 I480L425-I457 HydrophobicContact CD2-CD1 3.45Å; L425-I457 VanDerWaalsContact CD2-CD1 3.45Å; V439-I457 HydrophobicContact CG1-CG2 4Å; V439-I457 HydrophobicContact CG2-CD1 4.41Å; L445-I457 HydrophobicContact CD1-CG2 3.94Å; L445-I457 HydrophobicContact CD2-CG2 4.02Å; L445-I457 HydrophobicContact CG-CG2 3.86Å; T446-I457 WeakPolarHBondContact O-CA 3.41Å; V447-I457 HydrophobicContact CG1-CG1 4.32Å; F455-I457 HydrophobicContact CD2-CG1 4.31Å; F455-I457 HydrophobicContact CE2-CD1 4.2Å; F455-I457 HydrophobicContact CE2-CG1 4.07Å; I457-V459 HydrophobicContact CG2-CG1 4.24Å; I457-T463 CarbonylContact O-C 3.52Å; I457-T463 VanDerWaalsContact O-CA 3.29Å; I457-T463 WeakPolarHBondContact O-CA 3.46Å; I457-Y464 PolarHBondContact N-O 2.9Å; I457-Y464 PolarHBondContact O-N 3.03Å; I457-L466 HydrophobicContact CD1-CD1 3.52Å; I457-L466 HydrophobicContact CG1-CD1 4.04Å; I457-I480 HydrophobicContact CD1-CD1 3.71Å; I457-I480 HydrophobicContact CG1-CD1 4.25Å
458H84.2Confident82.6Confident48 Ų4848.8 Ų48.822%0.22224%0.244CC..EExtended strand (participates in β ladder)trans-98.1129.5177.4-49.4-90.7000109.4L445 T446 E448 T463L445-H458 CarbonylContact C-O 3.58Å; L445-H458 VanDerWaalsContact CA-O 3.26Å; L445-H458 WeakPolarHBondContact CA-O 3.43Å; T446-H458 PolarHBondContact N-O 3.33Å; T446-H458 PolarHBondContact O-N 2.86Å; T446-H458 WeakPolarHBondContact OG1-CB 3.32Å; E448-H458 IonicContact OE2-CE1 2.67Å; E448-H458 IonicContact OE2-NE2 3.66Å; E448-H458 PolarHBondContact OE2-NE2 3.39Å; H458-T463 WeakPolarHBondContact ND1-CG2 3.29Å; H458-T463 PolarHBondContact ND1-OG1 3.17Å
459V82.4Confident82.1Confident19 Ų1946.8 Ų46.812%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-133.8165.3173-53.70000108V439 G440 L445 I457 N461 K462 Y464V439-V459 HydrophobicContact CG1-CG1 3.92Å; G440-V459 WeakPolarHBondContact O-CG1 3.3Å; L445-V459 HydrophobicContact CB-CG1 4.4Å; L445-V459 HydrophobicContact CD1-CG1 3.84Å; L445-V459 HydrophobicContact CG-CG1 4Å; I457-V459 HydrophobicContact CG2-CG1 4.24Å; V459-N461 PolarHBondContact O-N 3.45Å; V459-N461 VanDerWaalsContact O-N 3.09Å; V459-K462 CarbonylContact C-O 3.39Å; V459-K462 HydrophobicContact CG2-CB 3.77Å; V459-K462 VanDerWaalsContact CG2-O 3.22Å; V459-K462 WeakPolarHBondContact CG2-O 3.36Å; V459-K462 PolarHBondContact N-O 2.86Å; V459-K462 PolarHBondContact O-N 2.92Å; V459-Y464 HydrophobicContact CG2-CD2 4.49Å; V459-Y464 HydrophobicContact CG2-CE2 3.92Å
460P76.3Confident81.6Confident72 Ų7244.3 Ų44.347%0.46823%0.226SC..THydrogen-bonded Turntrans-51122.7177.7-3037.1000111.9S442 S444 K462S442-P460 WeakPolarHBondContact OG-CD 3.3Å; S444-P460 WeakPolarHBondContact OG-CD 3.4Å; S444-P460 WeakPolarHBondContact OG-CG 3.35Å; P460-K462 PolarHBondContact O-N 2.79Å
461N67.3Low81.7Confident166 Ų16638.7 Ų38.789%0.88821%0.21SC*.THydrogen-bonded Turntrans6412.4179.7-47.1-54.7000116V459V459-N461 PolarHBondContact O-N 3.45Å; V459-N461 VanDerWaalsContact O-N 3.09Å
462K73.4Confident82Confident80 Ų8041.5 Ų41.535%0.34822%0.218SC..EExtended strand (participates in β ladder)trans-157.7139.4-179.3-166.3173.8-179.7-173.90114Y133 V459 P460 Y464Y133-K462 VanDerWaalsContact OH-C 3.29Å; Y133-K462 WeakPolarHBondContact OH-CA 3.18Å; V459-K462 CarbonylContact C-O 3.39Å; V459-K462 HydrophobicContact CG2-CB 3.77Å; V459-K462 VanDerWaalsContact CG2-O 3.22Å; V459-K462 WeakPolarHBondContact CG2-O 3.36Å; V459-K462 PolarHBondContact N-O 2.86Å; V459-K462 PolarHBondContact O-N 2.92Å; P460-K462 PolarHBondContact O-N 2.79Å; K462-Y464 HydrophobicContact CB-CE2 4.44Å; K462-Y464 HydrophobicContact CD-CE2 3.7Å; K462-Y464 VanDerWaalsContact CE-CZ 3.49Å; K462-Y464 WeakPolarHBondContact CE-OH 3.17Å; K462-Y464 HydrophobicContact CG-CD2 4.32Å; K462-Y464 HydrophobicContact CG-CE2 3.87Å; K462-Y464 PolarHBondContact NZ-OH 3.26Å
463T79.4Confident82.5Confident25 Ų2536.7 Ų36.715%0.15319%0.192CC..EExtended strand (participates in β ladder)trans-121.2126.8175.8-55.30000107.6Y133 F456 I457 H458 Y465Y133-T463 WeakPolarHBondContact OH-CA 3.48Å; Y133-T463 VanDerWaalsContact OH-CB 3.27Å; Y133-T463 WeakPolarHBondContact OH-CB 3.37Å; Y133-T463 PolarHBondContact OH-N 3.15Å; Y133-T463 PolarHBondContact OH-OG1 3.39Å; Y133-T463 VanDerWaalsContact OH-OG1 3.14Å; F456-T463 HydrophobicContact CB-CG2 4.01Å; I457-T463 CarbonylContact O-C 3.52Å; I457-T463 VanDerWaalsContact O-CA 3.29Å; I457-T463 WeakPolarHBondContact O-CA 3.46Å; H458-T463 WeakPolarHBondContact ND1-CG2 3.29Å; H458-T463 PolarHBondContact ND1-OG1 3.17Å; T463-Y465 HydrophobicContact CG2-CD1 4.34Å; T463-Y465 HydrophobicContact CG2-CD2 4.49Å; T463-Y465 HydrophobicContact CG2-CE1 3.87Å; T463-Y465 HydrophobicContact CG2-CE2 4.03Å
464Y85.8Confident82.9Confident10 Ų1035.1 Ų35.14%0.03919%0.188CC..EExtended strand (participates in β ladder)trans-95.9105.2174.1-66.3-107.3000107.7K406 Y427 E438 V439 F456 I457 V459 K462 L466K406-Y464 HydrophobicContact CD-CD1 4.27Å; Y427-Y464 AromaticContact CE1-CE1 3.91Å; Y427-Y464 HydrophobicContact CE1-CE1 3.91Å; E438-Y464 PolarHBondContact O-OH 3.03Å; V439-Y464 HydrophobicContact CB-CE1 4.44Å; V439-Y464 HydrophobicContact CB-CE2 4.28Å; V439-Y464 HydrophobicContact CG1-CD2 3.98Å; V439-Y464 HydrophobicContact CG1-CE2 3.79Å; V439-Y464 HydrophobicContact CG2-CD1 3.8Å; V439-Y464 HydrophobicContact CG2-CD2 4.28Å; V439-Y464 HydrophobicContact CG2-CE1 3.69Å; V439-Y464 HydrophobicContact CG2-CE2 4.21Å; V439-Y464 HydrophobicContact CG2-CG 4.1Å; F456-Y464 VanDerWaalsContact CA-O 3.32Å; F456-Y464 WeakPolarHBondContact CA-O 3.48Å; I457-Y464 PolarHBondContact N-O 2.9Å; I457-Y464 PolarHBondContact O-N 3.03Å; V459-Y464 HydrophobicContact CG2-CD2 4.49Å; V459-Y464 HydrophobicContact CG2-CE2 3.92Å; K462-Y464 HydrophobicContact CB-CE2 4.44Å; K462-Y464 HydrophobicContact CD-CE2 3.7Å; K462-Y464 VanDerWaalsContact CE-CZ 3.49Å; K462-Y464 WeakPolarHBondContact CE-OH 3.17Å; K462-Y464 HydrophobicContact CG-CD2 4.32Å; K462-Y464 HydrophobicContact CG-CE2 3.87Å; K462-Y464 PolarHBondContact NZ-OH 3.26Å; Y464-L466 PolarHBondContact O-N 3.1Å
465Y83.3Confident83.3Confident26 Ų2635.3 Ų35.310%0.10219%0.189CC..EExtended strand (participates in β ladder)trans-80.5110.8171.3-52.3-88.7000108.9F134 P335 R407 F456 T463F134-Y465 WeakPolarHBondContact CD1-OH 3.16Å; F134-Y465 WeakPolarHBondContact CE1-OH 3.3Å; P335-Y465 HydrophobicContact CG-CD1 4.5Å; P335-Y465 HydrophobicContact CG-CE1 4.06Å; R407-Y465 PolarHBondContact N-O 3.28Å; R407-Y465 VanDerWaalsContact N-O 3.13Å; F456-Y465 AromaticContact CD1-CD1 3.57Å; F456-Y465 HydrophobicContact CD1-CD1 3.57Å; F456-Y465 HydrophobicContact CD1-CE1 4.4Å; F456-Y465 HydrophobicContact CD1-CG 4.26Å; F456-Y465 HydrophobicContact CD2-CD1 4.11Å; F456-Y465 HydrophobicContact CD2-CE1 4.16Å; F456-Y465 AromaticContact CE1-CD1 3.51Å; F456-Y465 HydrophobicContact CE1-CD1 3.51Å; F456-Y465 HydrophobicContact CE1-CE1 4.4Å; F456-Y465 HydrophobicContact CE1-CG 4.33Å; F456-Y465 AromaticContact CE2-CD1 3.99Å; F456-Y465 HydrophobicContact CE2-CD1 3.99Å; F456-Y465 HydrophobicContact CE2-CE1 4.08Å; F456-Y465 AromaticContact CG-CD1 3.91Å; F456-Y465 HydrophobicContact CG-CD1 3.91Å; F456-Y465 HydrophobicContact CG-CE1 4.32Å; F456-Y465 AromaticContact CZ-CD1 3.69Å; F456-Y465 HydrophobicContact CZ-CD1 3.69Å; F456-Y465 HydrophobicContact CZ-CE1 4.21Å; T463-Y465 HydrophobicContact CG2-CD1 4.34Å; T463-Y465 HydrophobicContact CG2-CD2 4.49Å; T463-Y465 HydrophobicContact CG2-CE1 3.87Å; T463-Y465 HydrophobicContact CG2-CE2 4.03Å
466L90.1Very high83.5Confident1 Ų135.4 Ų35.41%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-119.5141.6-174.4-57.7178.8000110.3L404 F405 K406 F417 L454 F455 I457 Y464L404-L466 HydrophobicContact CD1-CB 4.42Å; L404-L466 HydrophobicContact CD1-CD1 4.01Å; F405-L466 WeakPolarHBondContact O-CA 3.45Å; K406-L466 HydrophobicContact CB-CD2 3.83Å; K406-L466 HydrophobicContact CG-CD2 3.8Å; F417-L466 HydrophobicContact CE1-CD1 3.94Å; F417-L466 HydrophobicContact CE1-CD2 3.94Å; F417-L466 HydrophobicContact CE2-CD2 3.95Å; F417-L466 HydrophobicContact CZ-CD1 4.18Å; F417-L466 HydrophobicContact CZ-CD2 3.34Å; F417-L466 HydrophobicContact CZ-CG 4.43Å; L454-L466 WeakPolarHBondContact CD2-O 3.44Å; F455-L466 HydrophobicContact CD1-CB 4.11Å; F455-L466 HydrophobicContact CD2-CB 4.48Å; F455-L466 HydrophobicContact CE1-CB 3.68Å; F455-L466 HydrophobicContact CE1-CD1 4.46Å; F455-L466 HydrophobicContact CE2-CB 4.09Å; F455-L466 HydrophobicContact CE2-CD1 3.62Å; F455-L466 HydrophobicContact CE2-CG 4.41Å; F455-L466 HydrophobicContact CZ-CB 3.69Å; F455-L466 HydrophobicContact CZ-CD1 3.6Å; F455-L466 HydrophobicContact CZ-CG 4.27Å; F455-L466 PolarHBondContact N-O 3.24Å; F455-L466 CarbonylContact O-C 3.55Å; F455-L466 WeakPolarHBondContact O-CB 3.42Å; F455-L466 PolarHBondContact O-N 2.75Å; I457-L466 HydrophobicContact CD1-CD1 3.52Å; I457-L466 HydrophobicContact CG1-CD1 4.04Å; Y464-L466 PolarHBondContact O-N 3.1Å
467E84Confident83.6Confident12 Ų1235.4 Ų35.46%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-123.6126173.2-173.8-170.3175.400109.1P339 W345 L404 F405 K453 L454P339-E467 HydrophobicContact CB-CB 4.36Å; P339-E467 VanDerWaalsContact CB-CD 3.42Å; P339-E467 HydrophobicContact CB-CG 4.21Å; P339-E467 WeakPolarHBondContact CB-OE2 3.39Å; P339-E467 HydrophobicContact CG-CB 4.35Å; P339-E467 HydrophobicContact CG-CG 4.26Å; W345-E467 VanDerWaalsContact CH2-OE2 3.3Å; W345-E467 WeakPolarHBondContact CH2-OE2 3.19Å; W345-E467 WeakPolarHBondContact CZ3-OE2 3.36Å; L404-E467 WeakPolarHBondContact CA-O 3.43Å; F405-E467 HydrophobicContact CB-CB 4.24Å; F405-E467 PolarHBondContact N-O 3.27Å; F405-E467 PolarHBondContact O-N 3.49Å; K453-E467 HydrophobicContact CB-CG 4.14Å; K453-E467 CarbonylContact O-C 3.59Å; K453-E467 VanDerWaalsContact O-CA 3.25Å; K453-E467 WeakPolarHBondContact O-CA 3.49Å; L454-E467 HydrophobicContact CD2-CB 4.16Å; L454-E467 HydrophobicContact CD2-CG 4.44Å
468D86.1Confident83.6Confident10 Ų1041.3 Ų41.35%0.05322%0.217CC..  trans-91.8107.8166.9-169.3-26.6000108.9L404 K453 S470 G471 A473 W476L404-D468 HydrophobicContact CD2-CB 3.64Å; K453-D468 WeakPolarHBondContact CB-O 3.36Å; K453-D468 WeakPolarHBondContact CG-O 3.28Å; K453-D468 PolarHBondContact O-N 3.1Å; D468-S470 PolarHBondContact O-N 3.42Å; D468-S470 VanDerWaalsContact O-N 3.11Å; D468-S470 VanDerWaalsContact OD1-CB 3.24Å; D468-S470 WeakPolarHBondContact OD1-CB 3.36Å; D468-S470 PolarHBondContact OD1-N 3.09Å; D468-S470 PolarHBondContact OD1-OG 2.92Å; D468-S470 PolarHBondContact OD2-OG 3.45Å; D468-G471 PolarHBondContact O-N 3.49Å; D468-A473 HydrophobicContact CB-CB 4.28Å; D468-W476 PolarHBondContact OD2-NE1 3.29Å
469P77Confident83.9Confident28 Ų2841 Ų4118%0.18222%0.216CC..THydrogen-bonded Turntrans-63.3-20.9-17830.1-37.3000112.4W345 F405 G471W345-P469 HydrophobicContact CE3-CB 4.22Å; W345-P469 HydrophobicContact CZ3-CB 4.34Å; F405-P469 HydrophobicContact CD2-CB 4.35Å; F405-P469 HydrophobicContact CD2-CG 4.14Å; F405-P469 HydrophobicContact CE2-CB 4.03Å; F405-P469 HydrophobicContact CE2-CG 3.86Å; P469-G471 VanDerWaalsContact C-N 3.3Å; P469-G471 PolarHBondContact O-N 3.24Å
470S78.8Confident84.3Confident28 Ų2840.2 Ų40.220%0.19621%0.21CC..THydrogen-bonded Turntrans-78.1-11.1-178.976.60000114.1Y358 D468 H472Y358-S470 VanDerWaalsContact CE1-CB 3.44Å; D468-S470 PolarHBondContact O-N 3.42Å; D468-S470 VanDerWaalsContact O-N 3.11Å; D468-S470 VanDerWaalsContact OD1-CB 3.24Å; D468-S470 WeakPolarHBondContact OD1-CB 3.36Å; D468-S470 PolarHBondContact OD1-N 3.09Å; D468-S470 PolarHBondContact OD1-OG 2.92Å; D468-S470 PolarHBondContact OD2-OG 3.45Å; S470-H472 WeakPolarHBondContact CB-ND1 3.48Å; S470-H472 PolarHBondContact O-CE1 3.49Å; S470-H472 PolarHBondContact O-ND1 3.48Å; S470-H472 PolarHBondContact OG-ND1 3.4Å
471G79.6Confident85Confident16 Ų1639.5 Ų39.517%0.16521%0.205CC..SBendtrans79.116.6-177.200000115N452 D468 P469N452-G471 CarbonylContact O-C 3.52Å; N452-G471 VanDerWaalsContact O-CA 3.25Å; N452-G471 WeakPolarHBondContact O-CA 3.28Å; D468-G471 PolarHBondContact O-N 3.49Å; P469-G471 VanDerWaalsContact C-N 3.3Å; P469-G471 PolarHBondContact O-N 3.24Å
472H85.3Confident85.9Confident102 Ų10233.7 Ų33.747%0.47218%0.177SC..  trans-109.637176.6-54.995.1000112.4N452 S470 D474 D475N452-H472 PolarHBondContact O-N 2.99Å; S470-H472 WeakPolarHBondContact CB-ND1 3.48Å; S470-H472 PolarHBondContact O-CE1 3.49Å; S470-H472 PolarHBondContact O-ND1 3.48Å; S470-H472 PolarHBondContact OG-ND1 3.4Å; H472-D474 PolarHBondContact O-N 3.04Å; H472-D475 HydrophobicContact CB-CB 4.44Å; H472-D475 PolarHBondContact O-N 3.22Å; H472-D475 VanDerWaalsContact O-N 3.12Å
473A86.7Confident86.5Confident0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-58.5-33177.100000112L449 N452 K453 F455 D468 D475 W476 V477L449-A473 HydrophobicContact CD1-CB 3.74Å; N452-A473 WeakPolarHBondContact O-CB 3.37Å; N452-A473 PolarHBondContact O-N 2.92Å; K453-A473 VanDerWaalsContact C-CB 3.47Å; F455-A473 HydrophobicContact CB-CB 4.3Å; F455-A473 HydrophobicContact CD1-CB 3.72Å; F455-A473 HydrophobicContact CG-CB 4.39Å; D468-A473 HydrophobicContact CB-CB 4.28Å; A473-D475 VanDerWaalsContact C-N 3.26Å; A473-D475 PolarHBondContact O-N 2.84Å; A473-W476 WeakPolarHBondContact O-CB 3.36Å; A473-W476 PolarHBondContact O-N 2.97Å; A473-V477 WeakPolarHBondContact O-CG2 3.42Å; A473-V477 PolarHBondContact O-N 2.77Å
474D89.1Confident86.9Confident53 Ų5330.8 Ų30.828%0.28316%0.162SC..Hα-helixtrans-60-35.4177.373.2-61000112.5L449 H472 V477 K478L449-D474 HydrophobicContact CD1-CB 4.32Å; L449-D474 HydrophobicContact CD2-CB 3.88Å; H472-D474 PolarHBondContact O-N 3.04Å; D474-V477 PolarHBondContact O-N 3.24Å; D474-K478 VanDerWaalsContact O-CG 3.26Å; D474-K478 WeakPolarHBondContact O-CG 3.24Å; D474-K478 PolarHBondContact O-N 3.3Å; D474-K478 IonicContact OD2-NZ 3.66Å; D474-K478 PolarHBondContact OD2-NZ 2.96Å
475D90.2Very high86.8Confident24 Ų2433.5 Ų33.513%0.12818%0.183CC..Hα-helixtrans-68.6-41.8175.8-178.654000111.8K400 H472 A473 V477 K478 Q479K400-D475 VanDerWaalsContact CE-OD2 3.26Å; K400-D475 WeakPolarHBondContact CE-OD2 3.35Å; K400-D475 IonicContact NZ-OD2 2.95Å; K400-D475 PolarHBondContact NZ-OD2 3.43Å; H472-D475 HydrophobicContact CB-CB 4.44Å; H472-D475 PolarHBondContact O-N 3.22Å; H472-D475 VanDerWaalsContact O-N 3.12Å; A473-D475 VanDerWaalsContact C-N 3.26Å; A473-D475 PolarHBondContact O-N 2.84Å; D475-V477 VanDerWaalsContact C-N 3.3Å; D475-V477 PolarHBondContact O-N 2.73Å; D475-K478 PolarHBondContact O-N 2.94Å; D475-Q479 WeakPolarHBondContact O-CB 3.31Å; D475-Q479 WeakPolarHBondContact O-CG 3.28Å; D475-Q479 PolarHBondContact O-N 3.4Å
476W92.6Very high86.6Confident3 Ų338 Ų381%0.01120%0.2CC..Hα-helixtrans-57.8-43.7171.4-82.999.3000112.3K400 L404 F417 L419 L425 F455 D468 A473 Q479 I480K400-W476 HydrophobicContact CD-CD2 3.98Å; K400-W476 HydrophobicContact CD-CE3 3.97Å; K400-W476 HydrophobicContact CD-CH2 4.33Å; K400-W476 HydrophobicContact CD-CZ2 4.33Å; K400-W476 HydrophobicContact CD-CZ3 4.15Å; K400-W476 HydrophobicContact CG-CH2 4.04Å; K400-W476 HydrophobicContact CG-CZ2 4.22Å; K400-W476 HydrophobicContact CG-CZ3 4.18Å; L404-W476 HydrophobicContact CD1-CD2 3.96Å; L404-W476 HydrophobicContact CD1-CE3 4.31Å; L404-W476 HydrophobicContact CD1-CG 4.44Å; L404-W476 HydrophobicContact CD1-CH2 4.33Å; L404-W476 HydrophobicContact CD1-CZ2 3.96Å; L404-W476 HydrophobicContact CD1-CZ3 4.49Å; L404-W476 HydrophobicContact CD2-CG 4.47Å; L404-W476 HydrophobicContact CD2-CZ2 4.43Å; L404-W476 HydrophobicContact CG-CZ2 4.06Å; F417-W476 HydrophobicContact CB-CH2 3.67Å; F417-W476 HydrophobicContact CB-CZ2 4.24Å; F417-W476 HydrophobicContact CB-CZ3 4.25Å; L419-W476 HydrophobicContact CB-CZ3 4.26Å; L425-W476 HydrophobicContact CD1-CZ3 4.02Å; F455-W476 HydrophobicContact CD1-CB 4.41Å; F455-W476 HydrophobicContact CD2-CB 4.48Å; F455-W476 HydrophobicContact CE1-CB 3.8Å; F455-W476 HydrophobicContact CE1-CG 4.02Å; F455-W476 HydrophobicContact CE2-CB 3.88Å; F455-W476 HydrophobicContact CZ-CB 3.47Å; F455-W476 VanDerWaalsContact CZ-CB 3.47Å; F455-W476 HydrophobicContact CZ-CD2 4.23Å; F455-W476 AromaticContact CZ-CG 3.75Å; F455-W476 HydrophobicContact CZ-CG 3.75Å; D468-W476 PolarHBondContact OD2-NE1 3.29Å; A473-W476 WeakPolarHBondContact O-CB 3.36Å; A473-W476 PolarHBondContact O-N 2.97Å; W476-Q479 PolarHBondContact O-N 3.1Å; W476-I480 HydrophobicContact CE3-CD1 4.18Å; W476-I480 HydrophobicContact CE3-CG1 4.45Å; W476-I480 WeakPolarHBondContact O-CB 3.48Å; W476-I480 WeakPolarHBondContact O-CD1 3.33Å; W476-I480 WeakPolarHBondContact O-CG1 3.43Å; W476-I480 PolarHBondContact O-N 2.74Å
477V92.8Very high86.2Confident21 Ų2142 Ų4213%0.12722%0.215CC..Hα-helixtrans-60.4-47.8176.9176.80000111.1V447 L449 F455 A473 D474 D475 Q479 T481V447-V477 HydrophobicContact CB-CG1 4.16Å; V447-V477 HydrophobicContact CG1-CB 4.1Å; V447-V477 HydrophobicContact CG1-CG1 3.95Å; V447-V477 HydrophobicContact CG1-CG2 3.68Å; L449-V477 HydrophobicContact CB-CG2 4.15Å; L449-V477 HydrophobicContact CD1-CG2 3.98Å; F455-V477 HydrophobicContact CB-CG2 3.54Å; F455-V477 HydrophobicContact CD2-CG2 4.03Å; F455-V477 HydrophobicContact CG-CG2 3.97Å; A473-V477 WeakPolarHBondContact O-CG2 3.42Å; A473-V477 PolarHBondContact O-N 2.77Å; D474-V477 PolarHBondContact O-N 3.24Å; D475-V477 VanDerWaalsContact C-N 3.3Å; D475-V477 PolarHBondContact O-N 2.73Å; V477-Q479 PolarHBondContact O-N 3.14Å; V477-T481 VanDerWaalsContact O-CB 3.26Å; V477-T481 WeakPolarHBondContact O-CB 3.2Å; V477-T481 PolarHBondContact O-N 3.39Å; V477-T481 PolarHBondContact O-OG1 3.18Å
478K91.5Very high85.8Confident123 Ų12344.4 Ų44.454%0.53523%0.226SC..Hα-helixtrans-58.5-47.5177.4-73.7164.2-177.7160.90111.7D474 D475 T481 S482D474-K478 VanDerWaalsContact O-CG 3.26Å; D474-K478 WeakPolarHBondContact O-CG 3.24Å; D474-K478 PolarHBondContact O-N 3.3Å; D474-K478 IonicContact OD2-NZ 3.66Å; D474-K478 PolarHBondContact OD2-NZ 2.96Å; D475-K478 PolarHBondContact O-N 2.94Å; K478-T481 PolarHBondContact O-N 3.11Å; K478-S482 WeakPolarHBondContact O-CB 3.46Å; K478-S482 PolarHBondContact O-N 3.26Å
479Q89.5Confident84.8Confident43 Ų4351.7 Ų51.720%0.20126%0.257CS..Hα-helixtrans-69.6-43.5-175.6-66.1-67.3-19.200112.7K400 L419 D475 W476 V477 T481 S482 V483K400-Q479 HydrophobicContact CD-CB 4.11Å; K400-Q479 HydrophobicContact CD-CG 3.93Å; L419-Q479 HydrophobicContact CD2-CB 3.91Å; D475-Q479 WeakPolarHBondContact O-CB 3.31Å; D475-Q479 WeakPolarHBondContact O-CG 3.28Å; D475-Q479 PolarHBondContact O-N 3.4Å; W476-Q479 PolarHBondContact O-N 3.1Å; V477-Q479 PolarHBondContact O-N 3.14Å; Q479-T481 VanDerWaalsContact C-N 3.32Å; Q479-T481 PolarHBondContact O-N 3.25Å; Q479-S482 PolarHBondContact O-N 3.37Å; Q479-V483 WeakPolarHBondContact O-CG2 3.33Å; Q479-V483 PolarHBondContact O-N 3.3Å
480I92.3Very high83.6Confident1 Ų156.3 Ų56.31%0.00528%0.28CS..Hα-helixtrans-63.4-42.1176.3-65165.7000110.1L419 L425 W441 L445 V447 F455 I457 W476 V483 K484L419-I480 HydrophobicContact CD1-CG1 4.49Å; L419-I480 HydrophobicContact CD2-CG1 4.29Å; L425-I480 HydrophobicContact CD2-CD1 3.99Å; L425-I480 HydrophobicContact CD2-CG1 4.43Å; W441-I480 HydrophobicContact CH2-CG2 3.76Å; W441-I480 HydrophobicContact CZ2-CG2 4.35Å; W441-I480 HydrophobicContact CZ3-CG2 4.39Å; L445-I480 HydrophobicContact CD2-CG2 4.04Å; V447-I480 HydrophobicContact CG2-CB 4.1Å; V447-I480 HydrophobicContact CG2-CG2 3.51Å; F455-I480 HydrophobicContact CE2-CD1 3.89Å; I457-I480 HydrophobicContact CD1-CD1 3.71Å; I457-I480 HydrophobicContact CG1-CD1 4.25Å; W476-I480 HydrophobicContact CE3-CD1 4.18Å; W476-I480 HydrophobicContact CE3-CG1 4.45Å; W476-I480 WeakPolarHBondContact O-CB 3.48Å; W476-I480 WeakPolarHBondContact O-CD1 3.33Å; W476-I480 WeakPolarHBondContact O-CG1 3.43Å; W476-I480 PolarHBondContact O-N 2.74Å; I480-V483 PolarHBondContact O-N 3.08Å; I480-K484 WeakPolarHBondContact O-CB 3.04Å; I480-K484 PolarHBondContact O-N 3.35Å
481T90.7Very high81.9Confident58 Ų5860.8 Ų60.836%0.35631%0.306SS..Hα-helixtrans-65.3-41.3178.3-55.90000111.9V477 K478 Q479 K484 S485V477-T481 VanDerWaalsContact O-CB 3.26Å; V477-T481 WeakPolarHBondContact O-CB 3.2Å; V477-T481 PolarHBondContact O-N 3.39Å; V477-T481 PolarHBondContact O-OG1 3.18Å; K478-T481 PolarHBondContact O-N 3.11Å; Q479-T481 VanDerWaalsContact C-N 3.32Å; Q479-T481 PolarHBondContact O-N 3.25Å; T481-K484 PolarHBondContact O-N 3.1Å; T481-S485 WeakPolarHBondContact O-CB 3.15Å; T481-S485 PolarHBondContact O-N 3.14Å; T481-S485 PolarHBondContact O-OG 3.49Å
482S85.9Confident80.1Confident44 Ų4468.4 Ų68.431%0.30834%0.338SS..Hα-helixtrans-61.1-47.9175.1178.10000111.7K478 Q479 K484 S485 R486K478-S482 WeakPolarHBondContact O-CB 3.46Å; K478-S482 PolarHBondContact O-N 3.26Å; Q479-S482 PolarHBondContact O-N 3.37Å; S482-K484 PolarHBondContact O-N 3.31Å; S482-S485 PolarHBondContact O-N 3.11Å; S482-R486 PolarHBondContact O-N 3.41Å
483V86.6Confident77.8Confident0 Ų068.9 Ų68.90%035%0.348CS..Hα-helixtrans-62.3-44.4176170.10000111.1P368 L399 L419 P423 W441 Q479 I480 S485 R486 Y487P368-V483 HydrophobicContact CG-CG2 4.36Å; L399-V483 HydrophobicContact CD1-CG2 3.61Å; L419-V483 HydrophobicContact CD1-CB 4.41Å; L419-V483 HydrophobicContact CD1-CG1 4.27Å; L419-V483 HydrophobicContact CD1-CG2 4.32Å; L419-V483 HydrophobicContact CD2-CG2 3.93Å; L419-V483 HydrophobicContact CG-CG2 4.2Å; P423-V483 HydrophobicContact CB-CG1 3.38Å; W441-V483 HydrophobicContact CH2-CB 4.11Å; W441-V483 HydrophobicContact CH2-CG1 3.71Å; W441-V483 HydrophobicContact CZ2-CG1 4.36Å; W441-V483 HydrophobicContact CZ3-CG1 4.06Å; Q479-V483 WeakPolarHBondContact O-CG2 3.33Å; Q479-V483 PolarHBondContact O-N 3.3Å; I480-V483 PolarHBondContact O-N 3.08Å; V483-S485 PolarHBondContact O-N 3Å; V483-R486 WeakPolarHBondContact O-CB 3.16Å; V483-R486 PolarHBondContact O-N 3.12Å; V483-Y487 HydrophobicContact CG1-CD2 4.13Å; V483-Y487 HydrophobicContact CG1-CE2 4.18Å; V483-Y487 VanDerWaalsContact O-CD2 3.28Å; V483-Y487 WeakPolarHBondContact O-CD2 3.3Å; V483-Y487 PolarHBondContact O-N 3.17Å
484K86.6Confident75.2Confident43 Ų4376.7 Ų76.719%0.18739%0.389CS..Hα-helixtrans-55.5-53.7176.3-171.6-163.4171.5-168.60111.2W441 D443 L445 I480 T481 S482 R486 Y487 F488W441-K484 HydrophobicContact CZ3-CB 3.91Å; D443-K484 WeakPolarHBondContact O-CE 3.48Å; D443-K484 PolarHBondContact O-NZ 3.09Å; L445-K484 HydrophobicContact CD2-CD 4.3Å; L445-K484 VanDerWaalsContact O-CD 3.25Å; L445-K484 WeakPolarHBondContact O-CD 3.22Å; L445-K484 WeakPolarHBondContact O-CE 3.36Å; L445-K484 PolarHBondContact O-NZ 3.26Å; I480-K484 WeakPolarHBondContact O-CB 3.04Å; I480-K484 PolarHBondContact O-N 3.35Å; T481-K484 PolarHBondContact O-N 3.1Å; S482-K484 PolarHBondContact O-N 3.31Å; K484-R486 PolarHBondContact O-N 3.48Å; K484-R486 VanDerWaalsContact O-N 3.13Å; K484-Y487 PolarHBondContact O-N 3.14Å; K484-Y487 VanDerWaalsContact O-N 3.08Å; K484-F488 HydrophobicContact CG-CD2 4.14Å; K484-F488 PolarHBondContact O-N 3.28Å
485S85Confident72.6Confident67 Ų6780.2 Ų80.247%0.46942%0.417SS..Hα-helixtrans-59.4-28.2-175.9-54.10000112.9T481 S482 V483T481-S485 WeakPolarHBondContact O-CB 3.15Å; T481-S485 PolarHBondContact O-N 3.14Å; T481-S485 PolarHBondContact O-OG 3.49Å; S482-S485 PolarHBondContact O-N 3.11Å; V483-S485 PolarHBondContact O-N 3Å
486R78.8Confident70.1Confident120 Ų12083.2 Ų83.245%0.45344%0.439SS..Hα-helixtrans-69.7-44.3176179-178.2178.1126.5-8112.9P368 S482 V483 K484P368-R486 PolarHBondContact O-NH1 2.61Å; S482-R486 PolarHBondContact O-N 3.41Å; V483-R486 WeakPolarHBondContact O-CB 3.16Å; V483-R486 PolarHBondContact O-N 3.12Å; K484-R486 PolarHBondContact O-N 3.48Å; K484-R486 VanDerWaalsContact O-N 3.13Å
487Y81.3Confident67.1Low86 Ų8688.1 Ų88.134%0.33747%0.474SS..Hα-helixtrans-93.5-25.5-172.4-70.4-79000113G422 P423 V483 K484G422-Y487 PolarHBondContact N-OH 3.05Å; P423-Y487 HydrophobicContact CB-CD2 3.61Å; P423-Y487 HydrophobicContact CB-CE2 4.01Å; P423-Y487 HydrophobicContact CB-CG 4.24Å; P423-Y487 VanDerWaalsContact CD-CG 3.45Å; P423-Y487 HydrophobicContact CG-CD2 3.65Å; P423-Y487 HydrophobicContact CG-CE2 4.38Å; P423-Y487 HydrophobicContact CG-CG 3.76Å; V483-Y487 HydrophobicContact CG1-CD2 4.13Å; V483-Y487 HydrophobicContact CG1-CE2 4.18Å; V483-Y487 VanDerWaalsContact O-CD2 3.28Å; V483-Y487 WeakPolarHBondContact O-CD2 3.3Å; V483-Y487 PolarHBondContact O-N 3.17Å; K484-Y487 PolarHBondContact O-N 3.14Å; K484-Y487 VanDerWaalsContact O-N 3.08Å
488F74.9Confident64.1Low62 Ų6294.2 Ų94.227%0.27251%0.506SS..SBendtrans-122.475.1178.3-55.8-86.1000107.2P423 W441 D443 K484P423-F488 HydrophobicContact CG-CE2 3.82Å; W441-F488 HydrophobicContact CB-CE2 4.43Å; W441-F488 HydrophobicContact CB-CZ 4.5Å; W441-F488 HydrophobicContact CE3-CE2 4.31Å; D443-F488 HydrophobicContact CB-CB 4.48Å; D443-F488 HydrophobicContact CB-CD1 3.92Å; D443-F488 HydrophobicContact CB-CG 4.46Å; K484-F488 HydrophobicContact CG-CD2 4.14Å; K484-F488 PolarHBondContact O-N 3.28Å
489K65.1Low61.4Low163 Ų16393.3 Ų93.371%0.70951%0.513SS*.  trans-67.3134.4170.1-71.7-176.2178.5-177.70107.9T491K489-T491 PolarHBondContact O-N 3.22Å
490D52.5Low58.7Low126 Ų12696.3 Ų96.367%0.67454%0.538SS*.  trans-47.6115.5172.6-68.5-41.6000109.1Q492D490-Q492 PolarHBondContact O-N 2.67Å
491T42.4Very low56Low121 Ų121102.7 Ų102.774%0.74258%0.577SS**THydrogen-bonded Turntrans-67.89.6178.5-48.80000111.7K489K489-T491 PolarHBondContact O-N 3.22Å
492Q41.5Very low53.4Low176 Ų176104.9 Ų104.982%0.82260%0.595SS**THydrogen-bonded Turntrans-86.7-5.8-179-69.5-166.5-2.800115.3D490D490-Q492 PolarHBondContact O-N 2.67Å
493T37.2Very low50.8Low113 Ų113109.8 Ų109.869%0.69362%0.617SS**SBendtrans-1074.5178.132.50000116.2
494L33.6Very low48.3Very low163 Ų163118.8 Ų118.885%0.85366%0.658SS**SBendtrans-100.56.3174.5-82.5160.4000115.1
495C33.3Very low45.7Very low128 Ų128124.4 Ų124.487%0.86569%0.69SS**SBendtrans-112.117.4173.5-76.20000114.6
496S38.1Very low43Very low87 Ų87124.6 Ų124.661%0.60870%0.702SS**SBendtrans-140.871.7175.755.50000112.9
497S29.6Very low41.1Very low105 Ų105130.8 Ų130.873%0.73474%0.741SS**  trans-177.986.3146.833.40000109.4
498D29.7Very low39Very low149 Ų149133 Ų13380%0.79776%0.761SS**  trans-144.782.1147.4-138.1-5.2000110.7
499P35.5Very low37.2Very low105 Ų105136.7 Ų136.768%0.68279%0.787SS**  trans-105.3127.315131.4-19.5000109.1
500S32.7Very low35.6Very low106 Ų106135.3 Ų135.374%0.74179%0.791SS**  trans68.488.6160.365.10000117.4
501T35Very low34.6Very low134 Ų134135.8 Ų135.882%0.82280%0.798SS**  trans-103.496.8136.4-21.60000108.2
502S35.3Very low34.1Very low105 Ų105136.8 Ų136.873%0.73480%0.802SS**  trans-61.4138.8173-73.70000111.2H504S502-H504 PolarHBondContact O-N 3.27Å
503I32.5Very low33.6Very low147 Ų147134.1 Ų134.175%0.75480%0.8SS**  trans-48.5120.8165.3-62.7155.5000110.1L505I503-L505 HydrophobicContact CG2-CD1 4.1Å; I503-L505 HydrophobicContact CG2-CG 4.34Å
504H34Very low33.4Very low189 Ų189135.6 Ų135.688%0.87581%0.808SS**  trans-128.290.6154.8-116.3-62.8000108.1S502S502-H504 PolarHBondContact O-N 3.27Å
505L31.3Very low33.4Very low161 Ų161133.5 Ų133.584%0.84381%0.805SS**  trans-74.3122.4161.9-83154.3000107.7I503I503-L505 HydrophobicContact CG2-CD1 4.1Å; I503-L505 HydrophobicContact CG2-CG 4.34Å
506G29.5Very low33.4Very low70 Ų70134 Ų13472%0.72280%0.8SS**  trans-166.482.5171.400000109.5
507I37.3Very low33Very low250 Ų250138.3 Ų138.3100%1.28282%0.817SS**  -158.70112.5-82.4163.8000106.2

Retrieved 507 of 507 residues in 104.1 ms (Link to these results)

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