A0A077YZR3_TRITR Loading...

1,4-alpha-glucan branching enzyme

AlphaFold DB , UniProt , Accession A0A077YZR3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 686 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
1M31.2Very low61.4Low239 Ų239104.5 Ų104.5100%1.17757%0.571SS**  050.90-142.7-175.7-70.800110.3
2D31.2Very low64.3Low138 Ų138102.9 Ų102.974%0.73857%0.569SS**  trans-130.553167.1-161.914.5000107.1L4D2-L4 PolarHBondContact O-N 2.8Å; D2-L4 VanDerWaalsContact O-N 3.12Å
3V40.8Very low66.8Low119 Ų119100.6 Ų100.672%0.72155%0.552SS**THydrogen-bonded Turntrans-74.91.6-168.4-171.20000111.6
4L40.8Very low68.9Low177 Ų17793.4 Ų93.493%0.92751%0.512SS*.THydrogen-bonded Turntrans-115.64.7-174.6-70.5164.3000114D2D2-L4 PolarHBondContact O-N 2.8Å; D2-L4 VanDerWaalsContact O-N 3.12Å
5G44.9Very low70.7Confident43 Ų4391.5 Ų91.544%0.44350%0.501SS..  trans-104.2-1.4-172.100000117.4
6S57.2Low72.3Confident35 Ų3591.9 Ų91.925%0.24550%0.497CS..  trans-88110.6176.3610000110.1S8S6-S8 PolarHBondContact O-N 2.78Å
7Q65.8Low73.6Confident167 Ų16786.9 Ų86.978%0.7847%0.469SS*.  trans-56.7124.8170.4-71.5-177.4-6.800109V9Q7-V9 PolarHBondContact O-N 2.97Å
8S81.2Confident74.8Confident77 Ų7782.3 Ų82.354%0.53844%0.444SS..  trans-63.3122.8171.3-175.70000108.3S6 S32S6-S8 PolarHBondContact O-N 2.78Å; S8-S32 WeakPolarHBondContact OG-CB 3.37Å
9V91.9Very high75.8Confident54 Ų5486.2 Ų86.233%0.32746%0.459SS..  trans-119.9119.7178.2-179.40000107.1Q7 P11 S32 Y35Q7-V9 PolarHBondContact O-N 2.97Å; V9-P11 WeakPolarHBondContact O-CD 3.43Å; V9-S32 PolarHBondContact N-O 2.77Å; V9-S32 CarbonylContact O-C 3.56Å; V9-S32 WeakPolarHBondContact O-CA 3.36Å; V9-Y35 HydrophobicContact CB-CD1 4.11Å; V9-Y35 HydrophobicContact CG1-CD1 3.92Å; V9-Y35 HydrophobicContact CG1-CE1 4.02Å; V9-Y35 WeakPolarHBondContact O-CD1 3.41Å
10R95Very high76.7Confident101 Ų10185.5 Ų85.538%0.38146%0.455SS..  trans-68.8127.7177.6-166.1-178.5-171.8-104.64.4110L14 D15 E28R10-L14 HydrophobicContact CG-CD2 4.01Å; R10-D15 IonicContact CZ-OD1 3.19Å; R10-D15 IonicContact CZ-OD2 3.44Å; R10-D15 IonicContact NH1-OD1 3.45Å; R10-D15 IonicContact NH1-OD2 2.72Å; R10-D15 PolarHBondContact NH1-OD2 3.25Å; R10-D15 IonicContact NH2-OD1 3.31Å; R10-D15 PolarHBondContact NH2-OD1 3.23Å; R10-D15 IonicContact NH2-OD2 2.77Å; R10-D15 PolarHBondContact NH2-OD2 3.27Å; R10-E28 IonicContact CZ-OE1 3.19Å; R10-E28 IonicContact NE-OE1 3.11Å; R10-E28 PolarHBondContact NE-OE1 2.85Å; R10-E28 IonicContact NH2-OE1 2.65Å
11P95.9Very high77.5Confident0 Ų082.2 Ų82.20%044%0.438CS..  trans-55.5141.1170.3-17.625000111.2V9 E13 L14 I31 Y35 S410V9-P11 WeakPolarHBondContact O-CD 3.43Å; P11-E13 VanDerWaalsContact C-N 3.27Å; P11-E13 PolarHBondContact O-N 2.77Å; P11-L14 HydrophobicContact CB-CB 4.09Å; P11-L14 HydrophobicContact CG-CB 4.27Å; P11-L14 HydrophobicContact CG-CD1 4.38Å; P11-L14 HydrophobicContact CG-CD2 4.47Å; P11-L14 PolarHBondContact O-N 3.06Å; P11-I31 HydrophobicContact CG-CG2 4.06Å; P11-Y35 HydrophobicContact CB-CD1 4.36Å; P11-Y35 HydrophobicContact CB-CD2 3.94Å; P11-Y35 HydrophobicContact CB-CE2 4.1Å; P11-Y35 HydrophobicContact CB-CG 4.07Å; P11-Y35 HydrophobicContact CG-CD1 4.22Å; P11-Y35 HydrophobicContact CG-CD2 3.89Å; P11-Y35 HydrophobicContact CG-CG 3.71Å; P11-S410 VanDerWaalsContact CB-O 3.29Å; P11-S410 WeakPolarHBondContact CB-O 3.27Å
12P96.2Very high80.6Confident85 Ų8572.9 Ų72.955%0.55240%0.403SS*.THydrogen-bonded Turntrans-65.5-27.8-171.725.5-35.4000113.7Y35 S410P12-Y35 VanDerWaalsContact CD-OH 3.26Å; P12-Y35 WeakPolarHBondContact CD-OH 3.16Å; P12-S410 VanDerWaalsContact CD-O 3.3Å; P12-S410 WeakPolarHBondContact CD-O 3.48Å
13E96.5Very high83.5Confident73 Ų7374.4 Ų74.434%0.34140%0.399SS..THydrogen-bonded Turntrans-118.221.9-176.3-60.9178.7-113.200112.2P11 D15 K16 S410 E411P11-E13 VanDerWaalsContact C-N 3.27Å; P11-E13 PolarHBondContact O-N 2.77Å; E13-D15 PolarHBondContact O-N 2.87Å; E13-D15 VanDerWaalsContact O-N 3.09Å; E13-K16 HydrophobicContact CB-CD 4.27Å; E13-K16 WeakPolarHBondContact O-CB 3.44Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-K16 WeakPolarHBondContact OE2-CE 3.26Å; E13-K16 IonicContact OE2-NZ 2.68Å; E13-K16 PolarHBondContact OE2-NZ 3.23Å; E13-S410 PolarHBondContact N-O 2.87Å; E13-S410 WeakPolarHBondContact OE1-CB 3.31Å; E13-S410 PolarHBondContact OE1-OG 2.87Å; E13-E411 HydrophobicContact CB-CG 3.95Å
14L95.8Very high86.1Confident0 Ų068.8 Ų68.80%037%0.365CS..Hα-helixtrans-54.5-32-176.7-178.559.1000113.2R10 P11 K16 L17 F18 E28 I31 E411R10-L14 HydrophobicContact CG-CD2 4.01Å; P11-L14 HydrophobicContact CB-CB 4.09Å; P11-L14 HydrophobicContact CG-CB 4.27Å; P11-L14 HydrophobicContact CG-CD1 4.38Å; P11-L14 HydrophobicContact CG-CD2 4.47Å; P11-L14 PolarHBondContact O-N 3.06Å; L14-K16 PolarHBondContact O-N 3.1Å; L14-L17 HydrophobicContact CD1-CB 4.46Å; L14-L17 HydrophobicContact CD1-CD2 4.24Å; L14-L17 WeakPolarHBondContact O-CB 3.5Å; L14-L17 PolarHBondContact O-N 3.01Å; L14-L17 VanDerWaalsContact O-N 3.08Å; L14-F18 HydrophobicContact CD1-CE1 3.97Å; L14-F18 HydrophobicContact CD1-CE2 4.26Å; L14-F18 HydrophobicContact CD1-CZ 3.81Å; L14-F18 HydrophobicContact CD2-CE2 3.63Å; L14-F18 HydrophobicContact CD2-CZ 3.57Å; L14-F18 HydrophobicContact CG-CD2 4.13Å; L14-F18 HydrophobicContact CG-CE1 4.19Å; L14-F18 HydrophobicContact CG-CE2 3.57Å; L14-F18 HydrophobicContact CG-CZ 3.6Å; L14-F18 PolarHBondContact O-N 3.03Å; L14-E28 HydrophobicContact CD2-CG 3.87Å; L14-I31 HydrophobicContact CD1-CG2 3.84Å; L14-E411 VanDerWaalsContact CD1-O 3.27Å; L14-E411 WeakPolarHBondContact CD1-O 3.47Å
15D96.4Very high88.7Confident64 Ų6466.3 Ų66.334%0.34234%0.344SS..Hα-helixtrans-60-30.4179.8-67.4-57.7000113.1R10 E13 L17 F18 E19R10-D15 IonicContact CZ-OD1 3.19Å; R10-D15 IonicContact CZ-OD2 3.44Å; R10-D15 IonicContact NH1-OD1 3.45Å; R10-D15 IonicContact NH1-OD2 2.72Å; R10-D15 PolarHBondContact NH1-OD2 3.25Å; R10-D15 IonicContact NH2-OD1 3.31Å; R10-D15 PolarHBondContact NH2-OD1 3.23Å; R10-D15 IonicContact NH2-OD2 2.77Å; R10-D15 PolarHBondContact NH2-OD2 3.27Å; E13-D15 PolarHBondContact O-N 2.87Å; E13-D15 VanDerWaalsContact O-N 3.09Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 2.84Å; D15-F18 PolarHBondContact O-N 2.67Å; D15-E19 WeakPolarHBondContact O-CG 3.34Å; D15-E19 PolarHBondContact O-N 3.45Å
16K95.3Very high91.1Very high99 Ų9970.8 Ų70.843%0.4336%0.358SS..Hα-helixtrans-64.7-37.2175.7-66.3-176.5176.81760112.5E13 L14 F18 E19 L20 E411E13-K16 HydrophobicContact CB-CD 4.27Å; E13-K16 WeakPolarHBondContact O-CB 3.44Å; E13-K16 PolarHBondContact O-N 2.93Å; E13-K16 WeakPolarHBondContact OE2-CE 3.26Å; E13-K16 IonicContact OE2-NZ 2.68Å; E13-K16 PolarHBondContact OE2-NZ 3.23Å; L14-K16 PolarHBondContact O-N 3.1Å; K16-F18 VanDerWaalsContact C-N 3.35Å; K16-E19 PolarHBondContact O-N 2.97Å; K16-L20 PolarHBondContact O-N 3.36Å; K16-E411 HydrophobicContact CB-CG 4.23Å; K16-E411 HydrophobicContact CD-CG 4.44Å
17L94.3Very high92.9Very high6 Ų670.1 Ų70.13%0.03135%0.35CS..Hα-helixtrans-66.7-40.8175.3-178.158.7000110.5L14 D15 E19 L20 D21 L24 R407 E411L14-L17 HydrophobicContact CD1-CB 4.46Å; L14-L17 HydrophobicContact CD1-CD2 4.24Å; L14-L17 WeakPolarHBondContact O-CB 3.5Å; L14-L17 PolarHBondContact O-N 3.01Å; L14-L17 VanDerWaalsContact O-N 3.08Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 2.84Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-E19 PolarHBondContact O-N 3.34Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-D21 PolarHBondContact O-N 2.83Å; L17-L24 HydrophobicContact CD1-CD1 3.84Å; L17-L24 HydrophobicContact CD2-CD1 3.9Å; L17-L24 HydrophobicContact CG-CD1 3.66Å; L17-R407 HydrophobicContact CD1-CB 4.47Å; L17-R407 HydrophobicContact CD1-CG 3.93Å; L17-E411 HydrophobicContact CB-CB 4.39Å; L17-E411 WeakPolarHBondContact CD2-O 3.3Å
18F95.5Very high94.3Very high5 Ų565.1 Ų65.12%0.02233%0.327CS..Hα-helixtrans-71.8-23.6177.9-63.1-24.9000114.6L14 D15 K16 D21 G22 L24 R25 E28 I31L14-F18 HydrophobicContact CD1-CE1 3.97Å; L14-F18 HydrophobicContact CD1-CE2 4.26Å; L14-F18 HydrophobicContact CD1-CZ 3.81Å; L14-F18 HydrophobicContact CD2-CE2 3.63Å; L14-F18 HydrophobicContact CD2-CZ 3.57Å; L14-F18 HydrophobicContact CG-CD2 4.13Å; L14-F18 HydrophobicContact CG-CE1 4.19Å; L14-F18 HydrophobicContact CG-CE2 3.57Å; L14-F18 HydrophobicContact CG-CZ 3.6Å; L14-F18 PolarHBondContact O-N 3.03Å; D15-F18 PolarHBondContact O-N 2.67Å; K16-F18 VanDerWaalsContact C-N 3.35Å; F18-D21 CarbonylContact O-C 3.47Å; F18-G22 WeakPolarHBondContact O-CA 3.34Å; F18-G22 PolarHBondContact O-N 2.8Å; F18-L24 HydrophobicContact CD1-CB 3.85Å; F18-L24 VanDerWaalsContact CE1-C 3.43Å; F18-L24 HydrophobicContact CE1-CB 3.72Å; F18-L24 WeakPolarHBondContact CE1-O 3.34Å; F18-R25 HydrophobicContact CB-CG 4.09Å; F18-R25 HydrophobicContact CD1-CG 3.93Å; F18-R25 HydrophobicContact CD2-CG 3.81Å; F18-R25 HydrophobicContact CE1-CG 4.26Å; F18-R25 HydrophobicContact CE2-CG 4.11Å; F18-R25 HydrophobicContact CG-CG 3.69Å; F18-R25 HydrophobicContact CZ-CG 4.33Å; F18-E28 HydrophobicContact CE2-CB 4.35Å; F18-E28 HydrophobicContact CE2-CG 4.34Å; F18-E28 HydrophobicContact CZ-CB 3.82Å; F18-E28 HydrophobicContact CZ-CG 4.15Å; F18-I31 HydrophobicContact CE1-CD1 4.35Å
19E94.8Very high94.9Very high156 Ų15663.9 Ų63.973%0.72933%0.326SS*.Hα-helixtrans-69.8-36.8171.3-77.1172.4-17100111.7D15 K16 L17D15-E19 WeakPolarHBondContact O-CG 3.34Å; D15-E19 PolarHBondContact O-N 3.45Å; K16-E19 PolarHBondContact O-N 2.97Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-E19 PolarHBondContact O-N 3.34Å
20L93Very high95.1Very high71 Ų7163.1 Ų63.137%0.37232%0.319SS..Hα-helixtrans-76.8-37.3174.9-65.5174000111.8K16 L17 Y454K16-L20 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 2.84Å; L20-Y454 HydrophobicContact CD2-CD1 3.95Å; L20-Y454 HydrophobicContact CD2-CE1 4.04Å
21D94.4Very high95.1Very high18 Ų1858.7 Ų58.710%0.09630%0.303CS..  trans-143.595.5-176.6179.76.9000112.2L17 F18 Y23 L24 Y362 R453L17-D21 PolarHBondContact O-N 2.83Å; F18-D21 CarbonylContact O-C 3.47Å; D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 2.98Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.42Å; D21-Y23 PolarHBondContact OD1-N 3.47Å; D21-Y23 VanDerWaalsContact OD1-N 3.12Å; D21-L24 HydrophobicContact CB-CD1 3.96Å; D21-L24 HydrophobicContact CB-CG 4.35Å; D21-L24 PolarHBondContact O-N 3.14Å; D21-L24 VanDerWaalsContact OD2-CD1 3.3Å; D21-L24 WeakPolarHBondContact OD2-CD1 3.48Å; D21-L24 VanDerWaalsContact OD2-CG 3.27Å; D21-L24 WeakPolarHBondContact OD2-CG 3.49Å; D21-Y362 PolarHBondContact OD1-OH 2.9Å; D21-Y362 WeakPolarHBondContact OD2-CE2 3.41Å; D21-Y362 PolarHBondContact OD2-OH 3.12Å; D21-Y362 VanDerWaalsContact OD2-OH 3.07Å; D21-R453 IonicContact OD2-CZ 2.62Å; D21-R453 IonicContact OD2-NH2 3.73Å; D21-R453 PolarHBondContact OD2-NH2 2.86Å
22G94.6Very high95.1Very high43 Ų4358.9 Ų58.944%0.44330%0.304SS..G310 helixtrans-67.2-19.9-178.500000114.8F18 L24 R25F18-G22 WeakPolarHBondContact O-CA 3.34Å; F18-G22 PolarHBondContact O-N 2.8Å; G22-L24 PolarHBondContact O-N 2.9Å; G22-R25 WeakPolarHBondContact O-CB 3.36Å; G22-R25 WeakPolarHBondContact O-CG 3.28Å; G22-R25 PolarHBondContact O-N 2.96Å
23Y93.5Very high95.1Very high170 Ų17058 Ų5867%0.66729%0.29SS*.G310 helixtrans-69.5-25.5-179.3-68.4-80.3000112.1D21 R25 N26D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 2.98Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.42Å; D21-Y23 PolarHBondContact OD1-N 3.47Å; D21-Y23 VanDerWaalsContact OD1-N 3.12Å; Y23-R25 PolarHBondContact O-N 3.27Å; Y23-N26 PolarHBondContact O-N 2.7Å
24L95Very high95.1Very high1 Ų154.7 Ų54.71%0.00527%0.274CS..G310 helixtrans-66.6-14.9177.9-67.3171.2000113.8L17 F18 D21 G22 N26 F27 E28 I31 Y362 F366 P403L17-L24 HydrophobicContact CD1-CD1 3.84Å; L17-L24 HydrophobicContact CD2-CD1 3.9Å; L17-L24 HydrophobicContact CG-CD1 3.66Å; F18-L24 HydrophobicContact CD1-CB 3.85Å; F18-L24 VanDerWaalsContact CE1-C 3.43Å; F18-L24 HydrophobicContact CE1-CB 3.72Å; F18-L24 WeakPolarHBondContact CE1-O 3.34Å; D21-L24 HydrophobicContact CB-CD1 3.96Å; D21-L24 HydrophobicContact CB-CG 4.35Å; D21-L24 PolarHBondContact O-N 3.14Å; D21-L24 VanDerWaalsContact OD2-CD1 3.3Å; D21-L24 WeakPolarHBondContact OD2-CD1 3.48Å; D21-L24 VanDerWaalsContact OD2-CG 3.27Å; D21-L24 WeakPolarHBondContact OD2-CG 3.49Å; G22-L24 PolarHBondContact O-N 2.9Å; L24-N26 PolarHBondContact O-N 2.68Å; L24-F27 CarbonylContact O-C 3.42Å; L24-F27 WeakPolarHBondContact O-CA 3.26Å; L24-F27 PolarHBondContact O-N 3.23Å; L24-E28 PolarHBondContact O-N 2.89Å; L24-I31 HydrophobicContact CB-CD1 4.43Å; L24-Y362 HydrophobicContact CD2-CD2 3.58Å; L24-Y362 HydrophobicContact CD2-CE2 3.72Å; L24-Y362 HydrophobicContact CG-CD2 4.16Å; L24-Y362 HydrophobicContact CG-CE2 3.88Å; L24-F366 HydrophobicContact CD2-CD2 4.35Å; L24-F366 HydrophobicContact CD2-CE2 3.37Å; L24-F366 HydrophobicContact CD2-CZ 3.53Å; L24-P403 HydrophobicContact CD1-CB 4.24Å; L24-P403 HydrophobicContact CD2-CB 3.87Å; L24-P403 HydrophobicContact CD2-CG 4.46Å
25R95.2Very high95.2Very high125 Ų12555.6 Ų55.647%0.47228%0.278SS..G310 helixtrans-57.5-32.5175.1-69.3-175.5-173.9-83.5-2.1112.3F18 G22 Y23 F27 E28F18-R25 HydrophobicContact CB-CG 4.09Å; F18-R25 HydrophobicContact CD1-CG 3.93Å; F18-R25 HydrophobicContact CD2-CG 3.81Å; F18-R25 HydrophobicContact CE1-CG 4.26Å; F18-R25 HydrophobicContact CE2-CG 4.11Å; F18-R25 HydrophobicContact CG-CG 3.69Å; F18-R25 HydrophobicContact CZ-CG 4.33Å; G22-R25 WeakPolarHBondContact O-CB 3.36Å; G22-R25 WeakPolarHBondContact O-CG 3.28Å; G22-R25 PolarHBondContact O-N 2.96Å; Y23-R25 PolarHBondContact O-N 3.27Å; R25-F27 PolarHBondContact O-N 3.05Å; R25-E28 WeakPolarHBondContact O-CB 3.24Å; R25-E28 PolarHBondContact O-N 3.32Å
26N94.8Very high95.2Very high137 Ų13752.8 Ų52.873%0.73326%0.264SS*.G310 helixtrans-64.9-17.9176.4-66.5-24000113.1Y23 L24Y23-N26 PolarHBondContact O-N 2.7Å; L24-N26 PolarHBondContact O-N 2.68Å
27F95.2Very high95.3Very high21 Ų2149.6 Ų49.69%0.09225%0.251CS..G310 helixtrans-113.712.2-177.4-56.8-84.6000112.6L24 R25 G29 E30 I31 Y362 H363 F366L24-F27 CarbonylContact O-C 3.42Å; L24-F27 WeakPolarHBondContact O-CA 3.26Å; L24-F27 PolarHBondContact O-N 3.23Å; R25-F27 PolarHBondContact O-N 3.05Å; F27-G29 PolarHBondContact O-N 3.13Å; F27-G29 VanDerWaalsContact O-N 3.16Å; F27-E30 PolarHBondContact O-N 2.84Å; F27-I31 WeakPolarHBondContact O-CG1 3.24Å; F27-I31 PolarHBondContact O-N 3.28Å; F27-Y362 HydrophobicContact CD2-CD2 4.47Å; F27-Y362 HydrophobicContact CE2-CD2 4.29Å; F27-Y362 HydrophobicContact CE2-CG 4.29Å; F27-H363 AromaticContact CE1-CE1 3.85Å; F27-H363 AromaticContact CE1-ND1 3.75Å; F27-H363 AromaticContact CZ-CD2 3.92Å; F27-H363 AromaticContact CZ-CE1 3.9Å; F27-H363 AromaticContact CZ-CG 3.99Å; F27-H363 AromaticContact CZ-ND1 3.98Å; F27-H363 AromaticContact CZ-NE2 3.87Å; F27-F366 HydrophobicContact CB-CB 4.2Å; F27-F366 HydrophobicContact CB-CD1 4.36Å; F27-F366 HydrophobicContact CB-CD2 4.29Å; F27-F366 HydrophobicContact CB-CG 4.03Å; F27-F366 HydrophobicContact CD1-CB 3.35Å; F27-F366 HydrophobicContact CD1-CD2 4.19Å; F27-F366 AromaticContact CD1-CG 3.96Å; F27-F366 HydrophobicContact CD1-CG 3.96Å; F27-F366 HydrophobicContact CD2-CD2 4.24Å; F27-F366 HydrophobicContact CE1-CB 3.88Å; F27-F366 HydrophobicContact CG-CB 3.89Å; F27-F366 AromaticContact CG-CD2 3.97Å; F27-F366 HydrophobicContact CG-CD2 3.97Å; F27-F366 AromaticContact CG-CG 3.97Å; F27-F366 HydrophobicContact CG-CG 3.97Å
28E95.6Very high95.4Very high62 Ų6249.3 Ų49.329%0.2925%0.25SC..Hα-helixtrans-52-39.8178.3177165.4-160.100112.4R10 L14 F18 L24 R25 E30 I31 S32R10-E28 IonicContact CZ-OE1 3.19Å; R10-E28 IonicContact NE-OE1 3.11Å; R10-E28 PolarHBondContact NE-OE1 2.85Å; R10-E28 IonicContact NH2-OE1 2.65Å; L14-E28 HydrophobicContact CD2-CG 3.87Å; F18-E28 HydrophobicContact CE2-CB 4.35Å; F18-E28 HydrophobicContact CE2-CG 4.34Å; F18-E28 HydrophobicContact CZ-CB 3.82Å; F18-E28 HydrophobicContact CZ-CG 4.15Å; L24-E28 PolarHBondContact O-N 2.89Å; R25-E28 WeakPolarHBondContact O-CB 3.24Å; R25-E28 PolarHBondContact O-N 3.32Å; E28-E30 PolarHBondContact O-N 3.25Å; E28-I31 PolarHBondContact O-N 2.89Å; E28-S32 WeakPolarHBondContact O-CB 3.5Å; E28-S32 PolarHBondContact O-N 3.01Å; E28-S32 PolarHBondContact O-OG 3.14Å
29G94.5Very high95.5Very high51 Ų5151.2 Ų51.253%0.52626%0.259SS..Hα-helixtrans-60.7-42.5178.400000112.8F27 R33F27-G29 PolarHBondContact O-N 3.13Å; F27-G29 VanDerWaalsContact O-N 3.16Å; G29-R33 WeakPolarHBondContact O-CB 3.44Å; G29-R33 PolarHBondContact O-N 3.04Å
30E94.9Very high95.6Very high38 Ų3849.4 Ų49.418%0.17825%0.248CC..Hα-helixtrans-73.8-42.9179.1176.857.1-163.800111.6F27 E28 S32 R33 R34 F366F27-E30 PolarHBondContact O-N 2.84Å; E28-E30 PolarHBondContact O-N 3.25Å; E30-S32 VanDerWaalsContact C-N 3.3Å; E30-S32 PolarHBondContact O-N 2.76Å; E30-R33 WeakPolarHBondContact O-CB 3.13Å; E30-R33 PolarHBondContact O-N 2.89Å; E30-R33 IonicContact OE1-CZ 3.09Å; E30-R33 IonicContact OE1-NE 3.23Å; E30-R33 IonicContact OE1-NH2 3.35Å; E30-R33 PolarHBondContact OE1-NH2 2.88Å; E30-R33 IonicContact OE2-CZ 3.64Å; E30-R33 IonicContact OE2-NE 3.34Å; E30-R33 PolarHBondContact OE2-NE 3.24Å; E30-R33 IonicContact OE2-NH2 2.84Å; E30-R33 PolarHBondContact OE2-NH2 3.09Å; E30-R34 WeakPolarHBondContact O-CG 3.49Å; E30-R34 PolarHBondContact O-N 2.97Å; E30-R34 IonicContact OE1-CZ 2.86Å; E30-R34 IonicContact OE1-NE 3.92Å; E30-R34 PolarHBondContact OE1-NE 3.46Å; E30-R34 IonicContact OE1-NH2 3.4Å; E30-R34 PolarHBondContact OE1-NH2 2.65Å; E30-F366 HydrophobicContact CG-CB 4.43Å; E30-F366 HydrophobicContact CG-CD1 4.49Å
31I95.9Very high95.7Very high7 Ų747.3 Ų47.34%0.03624%0.238CC..Hα-helixtrans-58.4-44.9175-64.6167.5000110.3P11 L14 F18 L24 F27 E28 R34 Y35 F366P11-I31 HydrophobicContact CG-CG2 4.06Å; L14-I31 HydrophobicContact CD1-CG2 3.84Å; F18-I31 HydrophobicContact CE1-CD1 4.35Å; L24-I31 HydrophobicContact CB-CD1 4.43Å; F27-I31 WeakPolarHBondContact O-CG1 3.24Å; F27-I31 PolarHBondContact O-N 3.28Å; E28-I31 PolarHBondContact O-N 2.89Å; I31-R34 PolarHBondContact O-N 2.99Å; I31-Y35 WeakPolarHBondContact O-CB 3.46Å; I31-Y35 PolarHBondContact O-N 2.83Å; I31-F366 HydrophobicContact CD1-CE1 4.39Å; I31-F366 HydrophobicContact CG1-CD1 4.39Å; I31-F366 HydrophobicContact CG1-CE1 4.01Å
32S96.5Very high95.8Very high4 Ų447.6 Ų47.63%0.02824%0.24CC..Hα-helixtrans-70.4-31.5178.8-57.80000112.8S8 V9 E28 E30 G36S8-S32 WeakPolarHBondContact OG-CB 3.37Å; V9-S32 PolarHBondContact N-O 2.77Å; V9-S32 CarbonylContact O-C 3.56Å; V9-S32 WeakPolarHBondContact O-CA 3.36Å; E28-S32 WeakPolarHBondContact O-CB 3.5Å; E28-S32 PolarHBondContact O-N 3.01Å; E28-S32 PolarHBondContact O-OG 3.14Å; E30-S32 VanDerWaalsContact C-N 3.3Å; E30-S32 PolarHBondContact O-N 2.76Å; S32-G36 PolarHBondContact O-N 2.95Å
33R96Very high95.9Very high66 Ų6650.3 Ų50.325%0.24924%0.242CC..Hα-helixtrans-64.5-50.1171.6-172.1-172.871.286.82.3111G29 E30 Y35 G36 I37 T372G29-R33 WeakPolarHBondContact O-CB 3.44Å; G29-R33 PolarHBondContact O-N 3.04Å; E30-R33 WeakPolarHBondContact O-CB 3.13Å; E30-R33 PolarHBondContact O-N 2.89Å; E30-R33 IonicContact OE1-CZ 3.09Å; E30-R33 IonicContact OE1-NE 3.23Å; E30-R33 IonicContact OE1-NH2 3.35Å; E30-R33 PolarHBondContact OE1-NH2 2.88Å; E30-R33 IonicContact OE2-CZ 3.64Å; E30-R33 IonicContact OE2-NE 3.34Å; E30-R33 PolarHBondContact OE2-NE 3.24Å; E30-R33 IonicContact OE2-NH2 2.84Å; E30-R33 PolarHBondContact OE2-NH2 3.09Å; R33-Y35 VanDerWaalsContact C-N 3.34Å; R33-Y35 PolarHBondContact O-N 3.45Å; R33-G36 PolarHBondContact O-N 2.86Å; R33-I37 HydrophobicContact CG-CD1 4.49Å; R33-I37 WeakPolarHBondContact O-CG1 3.29Å; R33-I37 PolarHBondContact O-N 2.95Å; R33-T372 PolarHBondContact NH2-OG1 2.92Å
34R96.1Very high96Very high4 Ų444 Ų442%0.01522%0.221CC..Hα-helixtrans-57.7-46.8177.2-67.9173.2-174-177.2-0.5111.1E30 I31 G36 I37 F38 T372 M402E30-R34 WeakPolarHBondContact O-CG 3.49Å; E30-R34 PolarHBondContact O-N 2.97Å; E30-R34 IonicContact OE1-CZ 2.86Å; E30-R34 IonicContact OE1-NE 3.92Å; E30-R34 PolarHBondContact OE1-NE 3.46Å; E30-R34 IonicContact OE1-NH2 3.4Å; E30-R34 PolarHBondContact OE1-NH2 2.65Å; I31-R34 PolarHBondContact O-N 2.99Å; R34-G36 VanDerWaalsContact C-N 3.34Å; R34-G36 PolarHBondContact O-N 3.33Å; R34-I37 PolarHBondContact O-N 3.34Å; R34-F38 PolarHBondContact O-N 3.25Å; R34-T372 HydrophobicContact CG-CG2 4.14Å; R34-M402 VanDerWaalsContact NH1-CE 3.27Å
35Y97.1Very high96.1Very high19 Ų1943.9 Ų43.98%0.07522%0.221CC..Hα-helixtrans-63.3-37.9176.9-169.8-95.3000112.9V9 P11 P12 I31 R33 I37 F38 Q39 M379 V409V9-Y35 HydrophobicContact CB-CD1 4.11Å; V9-Y35 HydrophobicContact CG1-CD1 3.92Å; V9-Y35 HydrophobicContact CG1-CE1 4.02Å; V9-Y35 WeakPolarHBondContact O-CD1 3.41Å; P11-Y35 HydrophobicContact CB-CD1 4.36Å; P11-Y35 HydrophobicContact CB-CD2 3.94Å; P11-Y35 HydrophobicContact CB-CE2 4.1Å; P11-Y35 HydrophobicContact CB-CG 4.07Å; P11-Y35 HydrophobicContact CG-CD1 4.22Å; P11-Y35 HydrophobicContact CG-CD2 3.89Å; P11-Y35 HydrophobicContact CG-CG 3.71Å; P12-Y35 VanDerWaalsContact CD-OH 3.26Å; P12-Y35 WeakPolarHBondContact CD-OH 3.16Å; I31-Y35 WeakPolarHBondContact O-CB 3.46Å; I31-Y35 PolarHBondContact O-N 2.83Å; R33-Y35 VanDerWaalsContact C-N 3.34Å; R33-Y35 PolarHBondContact O-N 3.45Å; Y35-I37 PolarHBondContact O-N 2.89Å; Y35-F38 HydrophobicContact CD2-CD1 4.09Å; Y35-F38 AromaticContact CE2-CD1 3.98Å; Y35-F38 HydrophobicContact CE2-CD1 3.98Å; Y35-F38 HydrophobicContact CE2-CE1 4.09Å; Y35-F38 WeakPolarHBondContact O-CB 3.41Å; Y35-F38 PolarHBondContact O-N 3.5Å; Y35-Q39 HydrophobicContact CD1-CG 3.9Å; Y35-Q39 HydrophobicContact CE1-CG 3.51Å; Y35-Q39 WeakPolarHBondContact O-CB 3.29Å; Y35-Q39 WeakPolarHBondContact O-CG 3.33Å; Y35-Q39 PolarHBondContact O-N 3.39Å; Y35-Q39 PolarHBondContact OH-NE2 2.94Å; Y35-M379 HydrophobicContact CD2-CE 3.93Å; Y35-V409 HydrophobicContact CE2-CG1 4.29Å; Y35-V409 WeakPolarHBondContact CE2-O 3.38Å
36G97.2Very high96.2Very high5 Ų545.3 Ų45.35%0.05223%0.23CC..Hα-helixtrans-60.6-40.6172.700000113.3S32 R33 R34 Q39 K40S32-G36 PolarHBondContact O-N 2.95Å; R33-G36 PolarHBondContact O-N 2.86Å; R34-G36 VanDerWaalsContact C-N 3.34Å; R34-G36 PolarHBondContact O-N 3.33Å; G36-Q39 PolarHBondContact O-N 2.74Å; G36-K40 WeakPolarHBondContact O-CB 3.5Å; G36-K40 PolarHBondContact O-N 3.14Å
37I96.6Very high96.2Very high32 Ų3246 Ų4616%0.16423%0.229CC..Hα-helixtrans-66.4-45.9174.8-62.3165.2000110.5R33 R34 Y35 Q39 K40 T41 T372 V376R33-I37 HydrophobicContact CG-CD1 4.49Å; R33-I37 WeakPolarHBondContact O-CG1 3.29Å; R33-I37 PolarHBondContact O-N 2.95Å; R34-I37 PolarHBondContact O-N 3.34Å; Y35-I37 PolarHBondContact O-N 2.89Å; I37-Q39 PolarHBondContact O-N 2.84Å; I37-K40 PolarHBondContact O-N 2.78Å; I37-T41 PolarHBondContact O-N 3.27Å; I37-T41 PolarHBondContact O-OG1 3.43Å; I37-T41 VanDerWaalsContact O-OG1 3.11Å; I37-T372 HydrophobicContact CD1-CG2 3.55Å; I37-V376 HydrophobicContact CB-CG2 4.04Å; I37-V376 HydrophobicContact CG2-CG1 4.32Å; I37-V376 HydrophobicContact CG2-CG2 3.78Å
38F97.4Very high96.2Very high1 Ų152.6 Ų52.60%0.00426%0.258CS..Hα-helixtrans-54-49.6173.7160.1-97.5000112.2R34 Y35 K40 T41 L42 V376 M379 L380 Y383 V409R34-F38 PolarHBondContact O-N 3.25Å; Y35-F38 HydrophobicContact CD2-CD1 4.09Å; Y35-F38 AromaticContact CE2-CD1 3.98Å; Y35-F38 HydrophobicContact CE2-CD1 3.98Å; Y35-F38 HydrophobicContact CE2-CE1 4.09Å; Y35-F38 WeakPolarHBondContact O-CB 3.41Å; Y35-F38 PolarHBondContact O-N 3.5Å; F38-K40 PolarHBondContact O-N 3.19Å; F38-T41 PolarHBondContact O-N 2.77Å; F38-L42 HydrophobicContact CE1-CD2 4.38Å; F38-L42 HydrophobicContact CZ-CD2 4.06Å; F38-L42 WeakPolarHBondContact O-CB 3.38Å; F38-L42 PolarHBondContact O-N 3.42Å; F38-V376 HydrophobicContact CB-CG1 4.41Å; F38-M379 HydrophobicContact CB-CE 3.78Å; F38-M379 HydrophobicContact CB-SD 4.26Å; F38-M379 HydrophobicContact CD1-CE 4.22Å; F38-M379 HydrophobicContact CD2-CB 3.74Å; F38-M379 HydrophobicContact CD2-CE 4.42Å; F38-M379 HydrophobicContact CE2-CB 4.23Å; F38-M379 HydrophobicContact CG-CB 4.34Å; F38-M379 HydrophobicContact CG-CE 3.89Å; F38-L380 HydrophobicContact CD2-CD2 3.82Å; F38-L380 HydrophobicContact CD2-CG 3.96Å; F38-L380 HydrophobicContact CE2-CD2 3.77Å; F38-L380 HydrophobicContact CE2-CG 4.2Å; F38-Y383 HydrophobicContact CE2-CD1 4.49Å; F38-Y383 HydrophobicContact CE2-CG 4.19Å; F38-Y383 HydrophobicContact CZ-CD1 4.12Å; F38-Y383 AromaticContact CZ-CD2 3.96Å; F38-Y383 HydrophobicContact CZ-CD2 3.96Å; F38-Y383 HydrophobicContact CZ-CE2 4.49Å; F38-Y383 AromaticContact CZ-CG 3.76Å; F38-Y383 HydrophobicContact CZ-CG 3.76Å; F38-V409 HydrophobicContact CD1-CG1 4.24Å; F38-V409 HydrophobicContact CE1-CG1 3.84Å; F38-V409 HydrophobicContact CE2-CG1 4.13Å; F38-V409 HydrophobicContact CZ-CG1 3.78Å
39Q96.7Very high96Very high44 Ų4451.6 Ų51.621%0.20625%0.253CS..Hα-helixtrans-60.8-45.2178.1-79-69.9-26.600111.9Y35 G36 I37 T41 L42 M43Y35-Q39 HydrophobicContact CD1-CG 3.9Å; Y35-Q39 HydrophobicContact CE1-CG 3.51Å; Y35-Q39 WeakPolarHBondContact O-CB 3.29Å; Y35-Q39 WeakPolarHBondContact O-CG 3.33Å; Y35-Q39 PolarHBondContact O-N 3.39Å; Y35-Q39 PolarHBondContact OH-NE2 2.94Å; G36-Q39 PolarHBondContact O-N 2.74Å; I37-Q39 PolarHBondContact O-N 2.84Å; Q39-T41 VanDerWaalsContact C-N 3.34Å; Q39-T41 PolarHBondContact O-N 2.99Å; Q39-L42 PolarHBondContact O-N 2.88Å; Q39-M43 WeakPolarHBondContact O-CB 3.36Å; Q39-M43 VanDerWaalsContact O-CG 3.29Å; Q39-M43 WeakPolarHBondContact O-CG 3.28Å; Q39-M43 PolarHBondContact O-N 3.17Å
40K96.6Very high95.9Very high119 Ų11951.6 Ų51.652%0.51725%0.253SS..Hα-helixtrans-59.6-44.1177.1-177.7-179.2177.8-179.40111.7G36 I37 F38 T44G36-K40 WeakPolarHBondContact O-CB 3.5Å; G36-K40 PolarHBondContact O-N 3.14Å; I37-K40 PolarHBondContact O-N 2.78Å; F38-K40 PolarHBondContact O-N 3.19Å; K40-T44 WeakPolarHBondContact O-CB 3.42Å; K40-T44 PolarHBondContact O-N 3.12Å; K40-T44 PolarHBondContact O-OG1 2.83Å
41T96.5Very high96Very high26 Ų2650.4 Ų50.416%0.1625%0.251CS..Hα-helixtrans-66.2-44.6177.9-57.30000111.1I37 F38 Q39 M43 T44 I45 L320 L380I37-T41 PolarHBondContact O-N 3.27Å; I37-T41 PolarHBondContact O-OG1 3.43Å; I37-T41 VanDerWaalsContact O-OG1 3.11Å; F38-T41 PolarHBondContact O-N 2.77Å; Q39-T41 VanDerWaalsContact C-N 3.34Å; Q39-T41 PolarHBondContact O-N 2.99Å; T41-M43 PolarHBondContact O-N 2.92Å; T41-T44 WeakPolarHBondContact O-CB 3.48Å; T41-T44 PolarHBondContact O-N 3.06Å; T41-I45 HydrophobicContact CG2-CD1 4.14Å; T41-I45 WeakPolarHBondContact O-CG1 3.27Å; T41-I45 PolarHBondContact O-N 2.82Å; T41-L320 HydrophobicContact CG2-CD1 3.83Å; T41-L380 HydrophobicContact CG2-CD1 3.67Å
42L96Very high95.9Very high25 Ų2551.2 Ų51.213%0.13126%0.255CS..Hα-helixtrans-61-43.1176.9-174.865.1000112.2F38 Q39 I45 K46 M52 L380 Y383F38-L42 HydrophobicContact CE1-CD2 4.38Å; F38-L42 HydrophobicContact CZ-CD2 4.06Å; F38-L42 WeakPolarHBondContact O-CB 3.38Å; F38-L42 PolarHBondContact O-N 3.42Å; Q39-L42 PolarHBondContact O-N 2.88Å; L42-I45 PolarHBondContact O-N 2.95Å; L42-K46 WeakPolarHBondContact O-CB 3.35Å; L42-K46 PolarHBondContact O-N 2.87Å; L42-M52 HydrophobicContact CD1-CG 3.64Å; L42-M52 HydrophobicContact CD1-SD 4.03Å; L42-L380 HydrophobicContact CB-CD2 4.32Å; L42-L380 HydrophobicContact CD1-CD2 4.39Å; L42-Y383 HydrophobicContact CD1-CD1 4.38Å; L42-Y383 HydrophobicContact CD1-CE1 4.12Å; L42-Y383 HydrophobicContact CD2-CD1 4.36Å; L42-Y383 HydrophobicContact CD2-CE1 3.76Å
43M96.4Very high95.9Very high99 Ų9955.1 Ų55.149%0.48827%0.273SS..Hα-helixtrans-62.5-42.9174.3-72.8-179.2-173.900111.5Q39 T41 I45 K46 E47Q39-M43 WeakPolarHBondContact O-CB 3.36Å; Q39-M43 VanDerWaalsContact O-CG 3.29Å; Q39-M43 WeakPolarHBondContact O-CG 3.28Å; Q39-M43 PolarHBondContact O-N 3.17Å; T41-M43 PolarHBondContact O-N 2.92Å; M43-I45 VanDerWaalsContact C-N 3.34Å; M43-I45 PolarHBondContact O-N 2.91Å; M43-K46 WeakPolarHBondContact O-CB 3.24Å; M43-K46 PolarHBondContact O-N 2.83Å; M43-K46 VanDerWaalsContact O-N 3.12Å; M43-E47 WeakPolarHBondContact O-CB 3.2Å; M43-E47 WeakPolarHBondContact O-CG 3.38Å; M43-E47 PolarHBondContact O-N 2.69Å
44T96.6Very high95.9Very high37 Ų3759.8 Ų59.823%0.22729%0.29CS..Hα-helixtrans-60.2-44.3176.7-580000111.4K40 T41 K46 E47 K48 M317K40-T44 WeakPolarHBondContact O-CB 3.42Å; K40-T44 PolarHBondContact O-N 3.12Å; K40-T44 PolarHBondContact O-OG1 2.83Å; T41-T44 WeakPolarHBondContact O-CB 3.48Å; T41-T44 PolarHBondContact O-N 3.06Å; T44-K46 VanDerWaalsContact C-N 3.34Å; T44-E47 PolarHBondContact O-N 3.19Å; T44-K48 HydrophobicContact CG2-CD 3.92Å; T44-K48 HydrophobicContact CG2-CG 4.38Å; T44-K48 WeakPolarHBondContact O-CB 3.49Å; T44-K48 PolarHBondContact O-N 3.19Å; T44-M317 HydrophobicContact CG2-CE 3.77Å
45I96.8Very high95.9Very high0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-62.9-41.7174.7-67.5166.5000110.6T41 L42 M43 E49 G50 G51 M52 F55 M317T41-I45 HydrophobicContact CG2-CD1 4.14Å; T41-I45 WeakPolarHBondContact O-CG1 3.27Å; T41-I45 PolarHBondContact O-N 2.82Å; L42-I45 PolarHBondContact O-N 2.95Å; M43-I45 VanDerWaalsContact C-N 3.34Å; M43-I45 PolarHBondContact O-N 2.91Å; I45-E49 HydrophobicContact CG2-CB 4.26Å; I45-E49 CarbonylContact O-C 3.26Å; I45-E49 WeakPolarHBondContact O-CA 3.28Å; I45-E49 VanDerWaalsContact O-CB 3.25Å; I45-E49 WeakPolarHBondContact O-CB 3.16Å; I45-E49 PolarHBondContact O-N 3.14Å; I45-G50 PolarHBondContact O-N 3.31Å; I45-G51 PolarHBondContact O-N 3.45Å; I45-G51 VanDerWaalsContact O-N 3.09Å; I45-M52 HydrophobicContact CD1-SD 3.91Å; I45-M52 HydrophobicContact CG2-SD 3.81Å; I45-F55 HydrophobicContact CD1-CD1 3.96Å; I45-F55 HydrophobicContact CD1-CE1 3.75Å; I45-F55 HydrophobicContact CD1-CZ 4.19Å; I45-F55 HydrophobicContact CG1-CD1 4.29Å; I45-F55 HydrophobicContact CG1-CD2 4.45Å; I45-F55 HydrophobicContact CG1-CE1 4.19Å; I45-F55 HydrophobicContact CG1-CE2 4.37Å; I45-F55 HydrophobicContact CG1-CG 4.41Å; I45-F55 HydrophobicContact CG1-CZ 4.23Å; I45-F55 HydrophobicContact CG2-CB 3.57Å; I45-F55 HydrophobicContact CG2-CD1 3.95Å; I45-F55 HydrophobicContact CG2-CD2 4.06Å; I45-F55 HydrophobicContact CG2-CG 3.6Å; I45-M317 HydrophobicContact CG1-CE 4.29Å; I45-M317 HydrophobicContact CG1-SD 3.86Å
46K95.9Very high96Very high154 Ų15458.7 Ų58.767%0.6729%0.286SS*.Hα-helixtrans-60.6-48.8177-172179.4177-177.70112.3L42 M43 T44 G51L42-K46 WeakPolarHBondContact O-CB 3.35Å; L42-K46 PolarHBondContact O-N 2.87Å; M43-K46 WeakPolarHBondContact O-CB 3.24Å; M43-K46 PolarHBondContact O-N 2.83Å; M43-K46 VanDerWaalsContact O-N 3.12Å; T44-K46 VanDerWaalsContact C-N 3.34Å; K46-G51 PolarHBondContact O-N 3.24Å
47E95.9Very high96Very high152 Ų15262.8 Ų62.871%0.7130%0.3SS*.Hα-helixtrans-76.4-43.1-174.2-69.7174.9179.100113M43 T44M43-E47 WeakPolarHBondContact O-CB 3.2Å; M43-E47 WeakPolarHBondContact O-CG 3.38Å; M43-E47 PolarHBondContact O-N 2.69Å; T44-E47 PolarHBondContact O-N 3.19Å
48K94.1Very high96.1Very high160 Ų16061.2 Ų61.270%0.69629%0.292SS*.Hα-helixtrans-95.6-26.4-172.1-59.9-170.8-179.5179.70114T44T44-K48 HydrophobicContact CG2-CD 3.92Å; T44-K48 HydrophobicContact CG2-CG 4.38Å; T44-K48 WeakPolarHBondContact O-CB 3.49Å; T44-K48 PolarHBondContact O-N 3.19Å
49E93.1Very high96.1Very high40 Ų4061.3 Ų61.319%0.18729%0.293CS..Hα-helixtrans-115.10.3-171.3-59.8-69.3169.900113.3I45 R54 F55 R321I45-E49 HydrophobicContact CG2-CB 4.26Å; I45-E49 CarbonylContact O-C 3.26Å; I45-E49 WeakPolarHBondContact O-CA 3.28Å; I45-E49 VanDerWaalsContact O-CB 3.25Å; I45-E49 WeakPolarHBondContact O-CB 3.16Å; I45-E49 PolarHBondContact O-N 3.14Å; E49-R54 WeakPolarHBondContact O-CD 3.36Å; E49-F55 HydrophobicContact CB-CB 4.35Å; E49-F55 HydrophobicContact CB-CD2 3.72Å; E49-F55 HydrophobicContact CB-CG 4.45Å; E49-F55 HydrophobicContact CG-CD2 3.66Å; E49-F55 HydrophobicContact CG-CE2 3.98Å; E49-R321 IonicContact OE1-CZ 3.6Å; E49-R321 IonicContact OE1-NH1 3.31Å; E49-R321 IonicContact OE1-NH2 2.83Å; E49-R321 PolarHBondContact OE1-NH2 3.22Å; E49-R321 IonicContact OE2-CZ 3.97Å; E49-R321 VanDerWaalsContact OE2-CZ 3.27Å; E49-R321 IonicContact OE2-NH1 3.34Å; E49-R321 PolarHBondContact OE2-NH1 2.65Å; E49-R321 IonicContact OE2-NH2 2.83Å; E49-R321 PolarHBondContact OE2-NH2 2.56Å
50G92.4Very high96Very high51 Ų5162.9 Ų62.953%0.52630%0.302SS..SBendtrans77.320.9-17800000114I45I45-G50 PolarHBondContact O-N 3.31Å
51G95.3Very high96Very high13 Ų1359.2 Ų59.213%0.13429%0.286CS..  trans89.1169.1177.500000114.8I45 K46 E53 R54 F55I45-G51 PolarHBondContact O-N 3.45Å; I45-G51 VanDerWaalsContact O-N 3.09Å; K46-G51 PolarHBondContact O-N 3.24Å; G51-E53 PolarHBondContact O-N 3.46Å; G51-E53 VanDerWaalsContact O-N 3.12Å; G51-R54 PolarHBondContact O-N 3.07Å; G51-R54 VanDerWaalsContact O-N 3.15Å; G51-F55 WeakPolarHBondContact O-CB 3.3Å; G51-F55 PolarHBondContact O-N 3.45Å
52M95.4Very high96Very high24 Ų2458 Ų5812%0.11828%0.279CS..Hα-helixtrans-55.9-32.1-176.5-71-59.5-77.100112.8L42 I45 R54 F55 T56 L324 F384L42-M52 HydrophobicContact CD1-CG 3.64Å; L42-M52 HydrophobicContact CD1-SD 4.03Å; I45-M52 HydrophobicContact CD1-SD 3.91Å; I45-M52 HydrophobicContact CG2-SD 3.81Å; M52-R54 PolarHBondContact O-N 2.83Å; M52-F55 PolarHBondContact O-N 2.91Å; M52-F55 HydrophobicContact SD-CD1 4.36Å; M52-T56 HydrophobicContact CE-CG2 4.06Å; M52-T56 WeakPolarHBondContact O-CB 3.25Å; M52-T56 WeakPolarHBondContact O-CG2 3.34Å; M52-T56 PolarHBondContact O-N 3.3Å; M52-T56 PolarHBondContact O-OG1 3.36Å; M52-L324 HydrophobicContact CE-CD1 4.17Å; M52-F384 HydrophobicContact CE-CB 3.4Å; M52-F384 VanDerWaalsContact CE-CB 3.4Å; M52-F384 HydrophobicContact CE-CD1 3.98Å; M52-F384 HydrophobicContact CE-CG 3.88Å
53E95.2Very high96.1Very high86 Ų8656.8 Ų56.840%0.40227%0.273SS..Hα-helixtrans-61.5-43.7179.5-178.358.3-159.200113G51 R57 R328 K388G51-E53 PolarHBondContact O-N 3.46Å; G51-E53 VanDerWaalsContact O-N 3.12Å; E53-R57 IonicContact OE1-CZ 3.28Å; E53-R57 IonicContact OE1-NH1 3.89Å; E53-R328 PolarHBondContact O-NH1 3.25Å; E53-R328 IonicContact OE1-CZ 3.54Å; E53-R328 IonicContact OE1-NH1 3.4Å; E53-R328 PolarHBondContact OE1-NH1 2.65Å; E53-R328 IonicContact OE1-NH2 3.83Å; E53-R328 PolarHBondContact OE1-NH2 2.66Å; E53-R328 IonicContact OE2-CZ 3.65Å; E53-R328 IonicContact OE2-NH1 3.39Å; E53-R328 PolarHBondContact OE2-NH1 3.29Å; E53-R328 IonicContact OE2-NH2 3.1Å; E53-K388 IonicContact OE1-NZ 3.39Å; E53-K388 PolarHBondContact OE1-NZ 3.2Å; E53-K388 VanDerWaalsContact OE1-NZ 3.11Å; E53-K388 IonicContact OE2-NZ 2.78Å; E53-K388 PolarHBondContact OE2-NZ 3.36Å
54R96Very high96.1Very high164 Ų16453 Ų5362%0.61925%0.254SS*.Hα-helixtrans-81.5-38.4176.9179.8173.6173.8-171.1-1.4111.1E49 G51 M52 T56 R57E49-R54 WeakPolarHBondContact O-CD 3.36Å; G51-R54 PolarHBondContact O-N 3.07Å; G51-R54 VanDerWaalsContact O-N 3.15Å; M52-R54 PolarHBondContact O-N 2.83Å; R54-T56 PolarHBondContact O-N 3.05Å; R54-R57 PolarHBondContact O-N 3.22Å; R54-R57 VanDerWaalsContact O-N 3.16Å
55F97.9Very high96.1Very high0 Ų053.1 Ų53.10%025%0.252CS..Hα-helixtrans-61.3-42.2-176.3-172-110.1000113.1I45 E49 G51 M52 R57 M317 L320 R321 L324 S325I45-F55 HydrophobicContact CD1-CD1 3.96Å; I45-F55 HydrophobicContact CD1-CE1 3.75Å; I45-F55 HydrophobicContact CD1-CZ 4.19Å; I45-F55 HydrophobicContact CG1-CD1 4.29Å; I45-F55 HydrophobicContact CG1-CD2 4.45Å; I45-F55 HydrophobicContact CG1-CE1 4.19Å; I45-F55 HydrophobicContact CG1-CE2 4.37Å; I45-F55 HydrophobicContact CG1-CG 4.41Å; I45-F55 HydrophobicContact CG1-CZ 4.23Å; I45-F55 HydrophobicContact CG2-CB 3.57Å; I45-F55 HydrophobicContact CG2-CD1 3.95Å; I45-F55 HydrophobicContact CG2-CD2 4.06Å; I45-F55 HydrophobicContact CG2-CG 3.6Å; E49-F55 HydrophobicContact CB-CB 4.35Å; E49-F55 HydrophobicContact CB-CD2 3.72Å; E49-F55 HydrophobicContact CB-CG 4.45Å; E49-F55 HydrophobicContact CG-CD2 3.66Å; E49-F55 HydrophobicContact CG-CE2 3.98Å; G51-F55 WeakPolarHBondContact O-CB 3.3Å; G51-F55 PolarHBondContact O-N 3.45Å; M52-F55 PolarHBondContact O-N 2.91Å; M52-F55 HydrophobicContact SD-CD1 4.36Å; F55-R57 PolarHBondContact O-N 2.92Å; F55-M317 HydrophobicContact CE2-CG 4Å; F55-M317 HydrophobicContact CE2-SD 3.61Å; F55-M317 HydrophobicContact CZ-CG 4.23Å; F55-M317 WeakPolarHBondContact CZ-O 3.19Å; F55-M317 HydrophobicContact CZ-SD 3.54Å; F55-M317 VanDerWaalsContact CZ-SD 3.54Å; F55-L320 HydrophobicContact CE1-CB 4.18Å; F55-L320 HydrophobicContact CZ-CB 4.05Å; F55-R321 HydrophobicContact CD2-CB 4.43Å; F55-R321 HydrophobicContact CD2-CG 4.17Å; F55-R321 HydrophobicContact CE1-CB 4.2Å; F55-R321 HydrophobicContact CE2-CB 3.72Å; F55-R321 HydrophobicContact CE2-CG 3.94Å; F55-R321 VanDerWaalsContact CZ-CA 3.5Å; F55-R321 HydrophobicContact CZ-CB 3.59Å; F55-R321 HydrophobicContact CZ-CG 4.18Å; F55-R321 WeakPolarHBondContact O-CG 3.16Å; F55-L324 HydrophobicContact CD1-CD1 4.26Å; F55-L324 HydrophobicContact CE1-CD1 3.82Å; F55-S325 PolarHBondContact O-OG 3.08Å
56T98.1Very high96.1Very high1 Ų155.2 Ų55.21%0.00627%0.265CS..THydrogen-bonded Turntrans-78.71.1179.6570000114M52 R54 Y59 L324 S325 R328 F384M52-T56 HydrophobicContact CE-CG2 4.06Å; M52-T56 WeakPolarHBondContact O-CB 3.25Å; M52-T56 WeakPolarHBondContact O-CG2 3.34Å; M52-T56 PolarHBondContact O-N 3.3Å; M52-T56 PolarHBondContact O-OG1 3.36Å; R54-T56 PolarHBondContact O-N 3.05Å; T56-Y59 WeakPolarHBondContact O-CE1 3.48Å; T56-L324 HydrophobicContact CG2-CB 4.03Å; T56-S325 WeakPolarHBondContact CA-OG 3.2Å; T56-S325 VanDerWaalsContact O-CA 3.27Å; T56-S325 WeakPolarHBondContact O-CA 3.49Å; T56-S325 WeakPolarHBondContact O-CB 3.43Å; T56-S325 PolarHBondContact O-OG 2.97Å; T56-R328 VanDerWaalsContact O-CD 3.31Å; T56-R328 WeakPolarHBondContact O-CD 3.32Å; T56-R328 WeakPolarHBondContact OG1-CD 3.4Å; T56-R328 PolarHBondContact OG1-NH1 3.16Å; T56-F384 HydrophobicContact CG2-CD1 4.47Å; T56-F384 HydrophobicContact CG2-CD2 4.16Å; T56-F384 HydrophobicContact CG2-CE2 4.22Å; T56-F384 HydrophobicContact CG2-CG 4.3Å; T56-F384 HydrophobicContact CG2-CZ 4.4Å
57R97.9Very high96Very high90 Ų9049.4 Ų49.434%0.3424%0.242SC..THydrogen-bonded Turntrans-101.330.4174.7-79.5-176.7153.1172.91.6112.4E53 R54 F55 Y59 D60 F61 R328 E332E53-R57 IonicContact OE1-CZ 3.28Å; E53-R57 IonicContact OE1-NH1 3.89Å; R54-R57 PolarHBondContact O-N 3.22Å; R54-R57 VanDerWaalsContact O-N 3.16Å; F55-R57 PolarHBondContact O-N 2.92Å; R57-Y59 PolarHBondContact O-N 3.21Å; R57-Y59 VanDerWaalsContact O-N 3.15Å; R57-D60 WeakPolarHBondContact CD-OD2 3.37Å; R57-D60 IonicContact NE-OD2 3.91Å; R57-D60 WeakPolarHBondContact O-CB 3.18Å; R57-D60 PolarHBondContact O-N 3.29Å; R57-F61 WeakPolarHBondContact O-CD1 3.41Å; R57-F61 VanDerWaalsContact O-CE1 3.25Å; R57-F61 WeakPolarHBondContact O-CE1 3.5Å; R57-R328 VanDerWaalsContact CG-CZ 3.48Å; R57-E332 IonicContact NE-OE2 2.75Å; R57-E332 IonicContact NH2-OE1 3.55Å; R57-E332 IonicContact NH2-OE2 3.86Å
58G97.5Very high95.9Very high0 Ų049 Ų490%025%0.253CS..G310 helixtrans-51.4-38.7176.600000112.3D60 F61 Y62 S325G58-D60 PolarHBondContact O-N 3.48Å; G58-D60 VanDerWaalsContact O-N 3.13Å; G58-F61 PolarHBondContact O-N 3.33Å; G58-F61 VanDerWaalsContact O-N 3.11Å; G58-Y62 WeakPolarHBondContact O-CB 3.36Å; G58-Y62 PolarHBondContact O-N 3.09Å; G58-S325 WeakPolarHBondContact CA-OG 3.42Å; G58-S325 PolarHBondContact N-OG 3.21Å
59Y97.2Very high95.8Very high2 Ų243.7 Ų43.71%0.00824%0.243CC..G310 helixtrans-66.3-10.1178.861-104.3000115.1T56 R57 F61 K65 Y242 S325 R328 W329 E332T56-Y59 WeakPolarHBondContact O-CE1 3.48Å; R57-Y59 PolarHBondContact O-N 3.21Å; R57-Y59 VanDerWaalsContact O-N 3.15Å; Y59-F61 VanDerWaalsContact C-N 3.3Å; Y59-K65 WeakPolarHBondContact O-CE 3.42Å; Y59-K65 PolarHBondContact O-NZ 2.9Å; Y59-Y242 HydrophobicContact CD1-CE1 4.41Å; Y59-S325 WeakPolarHBondContact CD1-O 3.42Å; Y59-R328 HydrophobicContact CE1-CB 4.12Å; Y59-R328 HydrophobicContact CE1-CG 4.03Å; Y59-R328 WeakPolarHBondContact OH-CG 3.2Å; Y59-W329 HydrophobicContact CD1-CB 3.8Å; Y59-W329 HydrophobicContact CD1-CE3 4.13Å; Y59-W329 AromaticContact CD2-CE3 3.7Å; Y59-W329 HydrophobicContact CD2-CE3 3.7Å; Y59-W329 HydrophobicContact CD2-CZ3 4.1Å; Y59-W329 HydrophobicContact CE1-CB 4.08Å; Y59-W329 HydrophobicContact CE2-CE3 4.33Å; Y59-W329 HydrophobicContact CG-CB 4.42Å; Y59-W329 AromaticContact CG-CE3 3.59Å; Y59-W329 HydrophobicContact CG-CE3 3.59Å; Y59-W329 HydrophobicContact CG-CZ3 4.29Å; Y59-E332 VanDerWaalsContact OH-CD 3.24Å; Y59-E332 PolarHBondContact OH-OE2 3.11Å
60D96.3Very high95.9Very high77 Ų7745.3 Ų45.341%0.41225%0.253SS..G310 helixtrans-78.6-20.4174.5-73.4-25.2000111.5R57 G58R57-D60 WeakPolarHBondContact CD-OD2 3.37Å; R57-D60 IonicContact NE-OD2 3.91Å; R57-D60 WeakPolarHBondContact O-CB 3.18Å; R57-D60 PolarHBondContact O-N 3.29Å; G58-D60 PolarHBondContact O-N 3.48Å; G58-D60 VanDerWaalsContact O-N 3.13Å
61F95.1Very high96.1Very high42 Ų4242.9 Ų42.918%0.18423%0.228CC..THydrogen-bonded Turntrans-130.9-24.9-176.352.8-96.9000115.1R57 G58 Y59 F73 R75R57-F61 WeakPolarHBondContact O-CD1 3.41Å; R57-F61 VanDerWaalsContact O-CE1 3.25Å; R57-F61 WeakPolarHBondContact O-CE1 3.5Å; G58-F61 PolarHBondContact O-N 3.33Å; G58-F61 VanDerWaalsContact O-N 3.11Å; Y59-F61 VanDerWaalsContact C-N 3.3Å; F61-F73 WeakPolarHBondContact O-CE1 3.42Å; F61-R75 WeakPolarHBondContact O-CB 3.45Å
62Y98Very high96.2Very high0 Ų042.2 Ų42.20%022%0.222CC..SBendtrans-84.7154.6171.4-79.2-76.1000112.8G58 K65 R75 W77 K107 W145 E318 R321G58-Y62 WeakPolarHBondContact O-CB 3.36Å; G58-Y62 PolarHBondContact O-N 3.09Å; Y62-K65 WeakPolarHBondContact O-CE 3.48Å; Y62-K65 PolarHBondContact O-NZ 3.27Å; Y62-R75 CarbonylContact C-O 3.55Å; Y62-R75 WeakPolarHBondContact CA-O 3.25Å; Y62-R75 HydrophobicContact CD1-CB 4.26Å; Y62-R75 HydrophobicContact CD1-CG 3.82Å; Y62-R75 WeakPolarHBondContact CD1-O 3.22Å; Y62-R75 HydrophobicContact CE1-CG 3.81Å; Y62-W77 HydrophobicContact CE1-CB 4.04Å; Y62-K107 WeakPolarHBondContact OH-CD 3.4Å; Y62-K107 WeakPolarHBondContact OH-CE 3.24Å; Y62-K107 PolarHBondContact OH-NZ 2.74Å; Y62-W145 VanDerWaalsContact CB-CD2 3.41Å; Y62-W145 HydrophobicContact CD1-CZ2 4.45Å; Y62-W145 AromaticContact CD1-NE1 3.88Å; Y62-W145 HydrophobicContact CD2-CH2 4.05Å; Y62-W145 AromaticContact CD2-CZ2 3.69Å; Y62-W145 HydrophobicContact CD2-CZ2 3.69Å; Y62-W145 HydrophobicContact CE2-CZ2 4.32Å; Y62-W145 HydrophobicContact CG-CD2 4.26Å; Y62-W145 AromaticContact CG-CE2 3.66Å; Y62-W145 HydrophobicContact CG-CH2 4.39Å; Y62-W145 AromaticContact CG-CZ2 3.75Å; Y62-W145 HydrophobicContact CG-CZ2 3.75Å; Y62-W145 AromaticContact CG-NE1 3.79Å; Y62-E318 VanDerWaalsContact OH-CD 3.3Å; Y62-E318 PolarHBondContact OH-OE2 3.45Å; Y62-R321 VanDerWaalsContact CE2-CD 3.48Å
63G97.6Very high96.4Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans80.1-154.5-171.500000111.6C74 R75G63-C74 VanDerWaalsContact O-CA 3.24Å; G63-C74 WeakPolarHBondContact O-CA 3.36Å; G63-R75 PolarHBondContact N-O 2.74Å; G63-R75 PolarHBondContact O-N 3.34Å
64I97Very high96.5Very high20 Ų2039.3 Ų39.310%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-109.7114.9-174.2-56.9178000108.3I72 L86 I128 F162I64-I72 HydrophobicContact CG2-CG2 3.65Å; I64-L86 HydrophobicContact CD1-CD1 3.58Å; I64-I128 HydrophobicContact CD1-CD1 3.4Å; I64-I128 VanDerWaalsContact CD1-CD1 3.4Å; I64-I128 HydrophobicContact CD1-CG1 4.22Å; I64-I128 HydrophobicContact CG2-CD1 4.33Å; I64-F162 HydrophobicContact CG2-CD2 4.21Å; I64-F162 HydrophobicContact CG2-CE2 4.11Å
65K95.6Very high96.6Very high39 Ų3934 Ų3417%0.1719%0.187CC..EExtended strand (participates in β ladder)trans-125.2135.1-170.4-56-63.3161.4177.40111.6Y59 Y62 I72 F73Y59-K65 WeakPolarHBondContact O-CE 3.42Å; Y59-K65 PolarHBondContact O-NZ 2.9Å; Y62-K65 WeakPolarHBondContact O-CE 3.48Å; Y62-K65 PolarHBondContact O-NZ 3.27Å; K65-I72 CarbonylContact O-C 3.52Å; K65-I72 WeakPolarHBondContact O-CA 3.3Å; K65-F73 PolarHBondContact N-O 3.38Å; K65-F73 PolarHBondContact O-N 3.27Å
66T95.7Very high96.7Very high45 Ų4534 Ų3428%0.27619%0.187SC..EExtended strand (participates in β ladder)trans-76.2126.8167.8-49.20000109.6G71 F162 N164T66-G71 CarbonylContact C-O 3.56Å; T66-G71 WeakPolarHBondContact CA-O 3.46Å; T66-F162 WeakPolarHBondContact OG1-CZ 3.48Å; T66-N164 PolarHBondContact OG1-ND2 3.34Å
67T95.5Very high96.7Very high32 Ų3234.7 Ų34.720%0.19619%0.189CC..  trans-77.9161.9174.871.80000110.6G69 N70 G71 F73 Y111T67-G69 PolarHBondContact O-N 2.73Å; T67-N70 PolarHBondContact O-N 3.35Å; T67-G71 PolarHBondContact N-O 2.85Å; T67-G71 WeakPolarHBondContact OG1-CA 3.36Å; T67-G71 PolarHBondContact OG1-N 2.89Å; T67-G71 VanDerWaalsContact OG1-N 3.07Å; T67-G71 PolarHBondContact OG1-O 3.31Å; T67-F73 HydrophobicContact CG2-CB 3.78Å; T67-Y111 HydrophobicContact CG2-CD2 4.36Å; T67-Y111 HydrophobicContact CG2-CE2 3.82Å
68P92.7Very high96.7Very high144 Ų14430.4 Ų30.494%0.93517%0.173SC*.THydrogen-bonded Turntrans-55.9-23.7175-27.236000114.5
69G92.9Very high96.6Very high48 Ų4832.1 Ų32.150%0.49519%0.185SC..THydrogen-bonded Turntrans-92.519.2175.900000114.6T67 G71 P114T67-G69 PolarHBondContact O-N 2.73Å; G69-G71 PolarHBondContact O-N 2.78Å; G69-G71 VanDerWaalsContact O-N 3.14Å; G69-P114 WeakPolarHBondContact O-CG 3.03Å
70N94.7Very high96.6Very high73 Ų7334.5 Ų34.539%0.3920%0.201SC..SBendtrans61.412.1-176.3-63.1-32.6000115.7T67 P114 G118 C120 P121T67-N70 PolarHBondContact O-N 3.35Å; N70-P114 HydrophobicContact CB-CB 4.31Å; N70-G118 WeakPolarHBondContact CB-O 3.47Å; N70-G118 PolarHBondContact ND2-O 2.92Å; N70-C120 VanDerWaalsContact O-CA 3.3Å; N70-C120 WeakPolarHBondContact O-CA 3.29Å; N70-P121 VanDerWaalsContact O-CD 3.24Å; N70-P121 WeakPolarHBondContact O-CD 3.47Å
71G97.1Very high96.6Very high0 Ų030.9 Ų30.90%018%0.182CC..  trans-73.2172.9165.900000111.3T66 T67 G69 I112T66-G71 CarbonylContact C-O 3.56Å; T66-G71 WeakPolarHBondContact CA-O 3.46Å; T67-G71 PolarHBondContact N-O 2.85Å; T67-G71 WeakPolarHBondContact OG1-CA 3.36Å; T67-G71 PolarHBondContact OG1-N 2.89Å; T67-G71 VanDerWaalsContact OG1-N 3.07Å; T67-G71 PolarHBondContact OG1-O 3.31Å; G69-G71 PolarHBondContact O-N 2.78Å; G69-G71 VanDerWaalsContact O-N 3.14Å; G71-I112 CarbonylContact C-O 3.48Å; G71-I112 VanDerWaalsContact CA-O 3.25Å; G71-I112 WeakPolarHBondContact CA-O 3.32Å
72I97.6Very high96.7Very high0 Ų032.4 Ų32.40%019%0.192CC..EExtended strand (participates in β ladder)trans-111.7123.8169.9-63.8-63.6000108.8I64 K65 C74 Y111 I112 C120 P121 V122 F162I64-I72 HydrophobicContact CG2-CG2 3.65Å; K65-I72 CarbonylContact O-C 3.52Å; K65-I72 WeakPolarHBondContact O-CA 3.3Å; I72-C74 VanDerWaalsContact CG2-SG 3.54Å; I72-Y111 CarbonylContact O-C 3.55Å; I72-Y111 WeakPolarHBondContact O-CA 3.36Å; I72-Y111 WeakPolarHBondContact O-CD2 3.35Å; I72-I112 HydrophobicContact CB-CB 4.21Å; I72-I112 PolarHBondContact N-O 3.19Å; I72-I112 PolarHBondContact O-N 3.04Å; I72-C120 VanDerWaalsContact CD1-SG 3.59Å; I72-P121 HydrophobicContact CB-CG 4.43Å; I72-P121 HydrophobicContact CG1-CG 3.77Å; I72-V122 HydrophobicContact CG1-CB 4.41Å; I72-V122 HydrophobicContact CG1-CG2 4.01Å; I72-F162 HydrophobicContact CD1-CE1 4.45Å; I72-F162 HydrophobicContact CD1-CE2 3.62Å; I72-F162 HydrophobicContact CD1-CZ 3.45Å; I72-F162 VanDerWaalsContact CD1-CZ 3.45Å
73F98Very high96.7Very high48 Ų4833.4 Ų33.421%0.21120%0.2CC..EExtended strand (participates in β ladder)trans-106128166.9179.1-100.4000108.7F61 K65 T67 R75 E109 L110 Y111F61-F73 WeakPolarHBondContact O-CE1 3.42Å; K65-F73 PolarHBondContact N-O 3.38Å; K65-F73 PolarHBondContact O-N 3.27Å; T67-F73 HydrophobicContact CG2-CB 3.78Å; F73-R75 HydrophobicContact CE1-CB 3.92Å; F73-R75 HydrophobicContact CZ-CB 4.24Å; F73-E109 HydrophobicContact CE2-CB 4.4Å; F73-E109 HydrophobicContact CE2-CG 4.41Å; F73-E109 HydrophobicContact CZ-CB 4.5Å; F73-E109 HydrophobicContact CZ-CG 4.05Å; F73-L110 WeakPolarHBondContact CA-O 3.19Å; F73-Y111 HydrophobicContact CB-CD2 4.45Å
74C98.3Very high96.7Very high0 Ų033.4 Ų33.40%020%0.2CC..EExtended strand (participates in β ladder)trans-116.8138.9175.3-54.80000109.8G63 I72 Y100 E109 L110G63-C74 VanDerWaalsContact O-CA 3.24Å; G63-C74 WeakPolarHBondContact O-CA 3.36Å; I72-C74 VanDerWaalsContact CG2-SG 3.54Å; C74-Y100 HydrophobicContact CB-CD1 4.43Å; C74-Y100 HydrophobicContact CB-CE1 3.4Å; C74-Y100 VanDerWaalsContact CB-CE1 3.4Å; C74-Y100 VanDerWaalsContact CB-OH 3.25Å; C74-Y100 WeakPolarHBondContact CB-OH 3.45Å; C74-E109 CarbonylContact O-C 3.46Å; C74-E109 VanDerWaalsContact O-CA 3.31Å; C74-E109 WeakPolarHBondContact O-CA 3.43Å; C74-L110 HydrophobicContact CB-CB 4.15Å; C74-L110 PolarHBondContact N-O 3.3Å; C74-L110 PolarHBondContact O-N 2.78Å
75R98.4Very high96.8Very high52 Ų5234.7 Ų34.720%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-139.5135.2165.9-176.6-175-791592.6110.7F61 Y62 G63 F73 W108 E109F61-R75 WeakPolarHBondContact O-CB 3.45Å; Y62-R75 CarbonylContact C-O 3.55Å; Y62-R75 WeakPolarHBondContact CA-O 3.25Å; Y62-R75 HydrophobicContact CD1-CB 4.26Å; Y62-R75 HydrophobicContact CD1-CG 3.82Å; Y62-R75 WeakPolarHBondContact CD1-O 3.22Å; Y62-R75 HydrophobicContact CE1-CG 3.81Å; G63-R75 PolarHBondContact N-O 2.74Å; G63-R75 PolarHBondContact O-N 3.34Å; F73-R75 HydrophobicContact CE1-CB 3.92Å; F73-R75 HydrophobicContact CZ-CB 4.24Å; R75-W108 CarbonylContact C-O 3.4Å; R75-W108 WeakPolarHBondContact CA-O 3.35Å; R75-E109 HydrophobicContact CB-CG 4.21Å; R75-E109 HydrophobicContact CG-CG 3.93Å; R75-E109 IonicContact CZ-OE1 2.65Å; R75-E109 IonicContact NE-OE1 3.62Å; R75-E109 PolarHBondContact NE-OE1 2.89Å; R75-E109 IonicContact NH2-OE1 3.67Å; R75-E109 PolarHBondContact NH2-OE1 3.24Å; R75-E109 IonicContact NH2-OE2 3.45Å
76E98.4Very high96.9Very high0 Ų032.9 Ų32.90%020%0.196CC..EExtended strand (participates in β ladder)trans-132.4155.3177-63.6-60.8170.800111.4L84 Y100 K107 W108 S143 W288E76-L84 HydrophobicContact CB-CD1 4.01Å; E76-Y100 HydrophobicContact CG-CE1 4.11Å; E76-K107 CarbonylContact O-C 3.5Å; E76-K107 WeakPolarHBondContact O-CA 3.42Å; E76-W108 PolarHBondContact N-O 2.96Å; E76-W108 PolarHBondContact O-N 2.84Å; E76-S143 WeakPolarHBondContact OE1-CB 3.3Å; E76-S143 PolarHBondContact OE1-OG 3.37Å; E76-W288 HydrophobicContact CB-CZ2 4.11Å; E76-W288 HydrophobicContact CG-CH2 4.49Å; E76-W288 HydrophobicContact CG-CZ2 4.01Å
77W98.3Very high97Very high16 Ų1632.9 Ų32.96%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-108.9114.5168.7178.559.8000108.7Y62 P79 F105 W288 C294 Y295 E318 V319Y62-W77 HydrophobicContact CE1-CB 4.04Å; W77-P79 HydrophobicContact CZ2-CG 4Å; W77-F105 PolarHBondContact NE1-O 2.91Å; W77-W288 PolarHBondContact O-NE1 2.76Å; W77-C294 WeakPolarHBondContact CH2-O 3.45Å; W77-Y295 HydrophobicContact CE3-CD1 4.36Å; W77-Y295 AromaticContact CE3-CE1 3.85Å; W77-Y295 HydrophobicContact CE3-CE1 3.85Å; W77-Y295 HydrophobicContact CE3-CE2 4.1Å; W77-Y295 AromaticContact CE3-CZ 3.7Å; W77-Y295 AromaticContact CZ3-CD1 3.99Å; W77-Y295 HydrophobicContact CZ3-CD1 3.99Å; W77-Y295 HydrophobicContact CZ3-CD2 4.39Å; W77-Y295 AromaticContact CZ3-CE1 3.94Å; W77-Y295 HydrophobicContact CZ3-CE1 3.94Å; W77-Y295 HydrophobicContact CZ3-CE2 4.35Å; W77-Y295 HydrophobicContact CZ3-CG 4.21Å; W77-E318 HydrophobicContact CD2-CB 3.46Å; W77-E318 VanDerWaalsContact CD2-CB 3.46Å; W77-E318 HydrophobicContact CD2-CG 3.81Å; W77-E318 HydrophobicContact CE3-CB 3.56Å; W77-E318 HydrophobicContact CE3-CG 4.42Å; W77-E318 HydrophobicContact CG-CB 4.04Å; W77-E318 HydrophobicContact CG-CG 3.96Å; W77-E318 HydrophobicContact CH2-CB 3.96Å; W77-E318 HydrophobicContact CZ2-CB 3.87Å; W77-E318 HydrophobicContact CZ2-CG 4.23Å; W77-E318 HydrophobicContact CZ3-CB 3.81Å; W77-V319 HydrophobicContact CH2-CG2 4.42Å; W77-V319 HydrophobicContact CZ3-CG2 4.24Å
78A97.8Very high97.1Very high0 Ų031.4 Ų31.40%018%0.182CC..  trans-151.271.8-177.300000108.5C80 A81 L84 G106 W108 D289A78-C80 VanDerWaalsContact C-N 3.26Å; A78-C80 PolarHBondContact O-N 3.39Å; A78-A81 HydrophobicContact CB-CB 3.92Å; A78-A81 PolarHBondContact O-N 3.19Å; A78-L84 HydrophobicContact CB-CD1 3.99Å; A78-L84 HydrophobicContact CB-CD2 4.38Å; A78-G106 CarbonylContact C-O 3.53Å; A78-G106 PolarHBondContact N-O 2.87Å; A78-W108 PolarHBondContact O-NE1 3.27Å; A78-D289 HydrophobicContact CB-CB 3.79Å
79P96.9Very high97.3Very high37 Ų3728.1 Ų28.124%0.2416%0.156CC..THydrogen-bonded Turntrans-63.2-31.8-166.524.9-34.5000113.6W77 R102 D289W77-P79 HydrophobicContact CZ2-CG 4Å; P79-R102 PolarHBondContact O-NH2 2.93Å; P79-D289 WeakPolarHBondContact CD-OD2 3.45Å
80C96.2Very high97.5Very high52 Ų5228 Ų2835%0.35114%0.142SC..THydrogen-bonded Turntrans-92.8-7.9-178.4-61.10000114A78 K134 D289 T291A78-C80 VanDerWaalsContact C-N 3.26Å; A78-C80 PolarHBondContact O-N 3.39Å; C80-K134 WeakPolarHBondContact O-CD 3.49Å; C80-K134 VanDerWaalsContact O-CE 3.27Å; C80-K134 WeakPolarHBondContact O-CE 3.49Å; C80-K134 PolarHBondContact O-NZ 3.03Å; C80-D289 VanDerWaalsContact CB-OD2 3.27Å; C80-D289 WeakPolarHBondContact CB-OD2 3.29Å; C80-D289 PolarHBondContact N-OD2 3.48Å; C80-T291 HydrophobicContact CB-CG2 3.4Å; C80-T291 VanDerWaalsContact CB-CG2 3.4Å
81A97.2Very high97.6Very high1 Ų125.2 Ų25.21%0.00813%0.127CC..  trans-65.3144.717900000111.1A78 L84 W108 V132 D289A78-A81 HydrophobicContact CB-CB 3.92Å; A78-A81 PolarHBondContact O-N 3.19Å; A81-L84 HydrophobicContact CB-CD2 3.89Å; A81-L84 HydrophobicContact CB-CG 4.41Å; A81-W108 HydrophobicContact CB-CZ2 4.48Å; A81-W108 WeakPolarHBondContact O-CZ2 3.3Å; A81-V132 HydrophobicContact CB-CG1 3.99Å; A81-D289 HydrophobicContact CB-CB 4.45Å
82D97.4Very high97.5Very high74 Ų7432.4 Ų32.440%0.39617%0.166SC..SBendtrans-85.6-34178.1-56.6-28.3000110.9V133 K134 N135D82-V133 WeakPolarHBondContact CB-O 3.33Å; D82-V133 PolarHBondContact N-O 2.97Å; D82-K134 IonicContact OD1-NZ 3.71Å; D82-K134 PolarHBondContact OD1-NZ 3.5Å; D82-K134 WeakPolarHBondContact OD2-CA 3.46Å; D82-N135 PolarHBondContact OD2-N 2.86Å
83A97.7Very high97.5Very high20 Ų2036.5 Ų36.517%0.16518%0.181CC..EExtended strand (participates in β ladder)trans-156.8151.6171.300000111Y85 V133A83-Y85 HydrophobicContact CB-CE2 3.67Å; A83-V133 HydrophobicContact CB-CB 4.17Å; A83-V133 HydrophobicContact CB-CG2 4.31Å; A83-V133 PolarHBondContact O-N 3.31Å
84L98.2Very high97.5Very high1 Ų138.3 Ų38.31%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-121.8144.6171.2-63.8-169.6000111.3E76 A78 A81 Y100 W108 V130 V131 V132E76-L84 HydrophobicContact CB-CD1 4.01Å; A78-L84 HydrophobicContact CB-CD1 3.99Å; A78-L84 HydrophobicContact CB-CD2 4.38Å; A81-L84 HydrophobicContact CB-CD2 3.89Å; A81-L84 HydrophobicContact CB-CG 4.41Å; L84-Y100 HydrophobicContact CB-CD2 3.97Å; L84-Y100 HydrophobicContact CB-CG 4.01Å; L84-Y100 PolarHBondContact O-N 2.84Å; L84-W108 HydrophobicContact CB-CD2 4.37Å; L84-W108 HydrophobicContact CB-CE3 4.32Å; L84-W108 HydrophobicContact CD1-CB 3.65Å; L84-W108 HydrophobicContact CD1-CD2 4.05Å; L84-W108 HydrophobicContact CD1-CG 3.51Å; L84-W108 HydrophobicContact CG-CB 4.43Å; L84-W108 HydrophobicContact CG-CD2 3.95Å; L84-W108 HydrophobicContact CG-CE3 4.36Å; L84-W108 HydrophobicContact CG-CG 3.97Å; L84-V130 HydrophobicContact CD2-CG1 4.35Å; L84-V131 VanDerWaalsContact CA-O 3.29Å; L84-V131 WeakPolarHBondContact CA-O 3.36Å; L84-V132 HydrophobicContact CD2-CB 4.04Å; L84-V132 HydrophobicContact CD2-CG1 3.98Å; L84-V132 HydrophobicContact CD2-CG2 3.71Å
85Y98.4Very high97.3Very high47 Ų4740.5 Ų40.518%0.18420%0.203CC..EExtended strand (participates in β ladder)trans-137.8156.4172.6-50.6-102.3000110.8A83 Q95 Y96 H98 P99 V130 V131 V133A83-Y85 HydrophobicContact CB-CE2 3.67Å; Y85-Q95 VanDerWaalsContact CB-O 3.23Å; Y85-Q95 WeakPolarHBondContact CB-O 3.21Å; Y85-Y96 HydrophobicContact CD1-CD1 4.25Å; Y85-Y96 WeakPolarHBondContact CD1-O 3.18Å; Y85-Y96 HydrophobicContact CD2-CD1 4.12Å; Y85-Y96 AromaticContact CE1-CD1 3.91Å; Y85-Y96 HydrophobicContact CE1-CD1 3.91Å; Y85-Y96 AromaticContact CE2-CD1 3.81Å; Y85-Y96 HydrophobicContact CE2-CD1 3.81Å; Y85-Y96 HydrophobicContact CE2-CE1 4.22Å; Y85-Y96 HydrophobicContact CG-CD1 4.36Å; Y85-Y96 AromaticContact CZ-CD1 3.71Å; Y85-H98 CarbonylContact C-O 3.6Å; Y85-H98 VanDerWaalsContact CA-O 3.28Å; Y85-H98 WeakPolarHBondContact CA-O 3.5Å; Y85-P99 VanDerWaalsContact CD1-CA 3.46Å; Y85-P99 HydrophobicContact CD1-CB 3.7Å; Y85-P99 HydrophobicContact CE1-CB 3.65Å; Y85-V130 WeakPolarHBondContact O-CA 3.29Å; Y85-V131 HydrophobicContact CD2-CB 4.33Å; Y85-V131 HydrophobicContact CD2-CG1 4.3Å; Y85-V131 PolarHBondContact N-O 3.19Å; Y85-V131 PolarHBondContact O-N 3.09Å; Y85-V133 HydrophobicContact CD2-CG2 4.32Å; Y85-V133 HydrophobicContact CE2-CG2 3.89Å
86L98.2Very high97.2Very high0 Ų043.8 Ų43.80%022%0.217CC..EExtended strand (participates in β ladder)trans-102.7134.6168.9-169.568.3000110.1I64 F90 N91 H98 Y100 L110 I112 V130I64-L86 HydrophobicContact CD1-CD1 3.58Å; L86-F90 HydrophobicContact CB-CZ 4.44Å; L86-F90 HydrophobicContact CD2-CE1 4.06Å; L86-F90 HydrophobicContact CD2-CZ 3.8Å; L86-F90 HydrophobicContact CG-CE1 4.02Å; L86-F90 HydrophobicContact CG-CZ 3.92Å; L86-N91 PolarHBondContact O-ND2 2.89Å; L86-H98 HydrophobicContact CB-CB 4.28Å; L86-H98 PolarHBondContact N-O 2.92Å; L86-Y100 HydrophobicContact CB-CE2 3.89Å; L86-L110 HydrophobicContact CB-CD2 3.64Å; L86-L110 HydrophobicContact CD2-CD2 4.25Å; L86-I112 HydrophobicContact CD2-CD1 3.81Å; L86-V130 HydrophobicContact CD1-CG2 4.38Å
87R97.4Very high97.1Very high46 Ų4646.1 Ų46.117%0.17423%0.233CC..EExtended strand (participates in β ladder)trans-139.5164.8171.174.2179-172.6158.1-4.4112.8N91 W93 D94 I128 K129 V131 D140R87-N91 WeakPolarHBondContact CA-ND2 3.3Å; R87-W93 HydrophobicContact CG-CE3 4.17Å; R87-W93 PolarHBondContact NH1-O 3.05Å; R87-D94 WeakPolarHBondContact CB-O 3.35Å; R87-I128 CarbonylContact O-C 3.58Å; R87-I128 VanDerWaalsContact O-CA 3.31Å; R87-I128 WeakPolarHBondContact O-CA 3.44Å; R87-K129 HydrophobicContact CG-CB 4.33Å; R87-K129 PolarHBondContact N-O 2.84Å; R87-K129 PolarHBondContact O-N 3.49Å; R87-V131 HydrophobicContact CB-CG2 4.3Å; R87-V131 VanDerWaalsContact CD-CG2 3.46Å; R87-V131 HydrophobicContact CG-CG2 3.7Å; R87-D140 IonicContact CZ-OD1 2.91Å; R87-D140 IonicContact CZ-OD2 3.16Å; R87-D140 IonicContact NE-OD1 3.55Å; R87-D140 PolarHBondContact NE-OD1 2.82Å; R87-D140 IonicContact NE-OD2 2.8Å; R87-D140 IonicContact NH2-OD1 2.79Å; R87-D140 PolarHBondContact NH2-OD1 3.07Å; R87-D140 IonicContact NH2-OD2 2.63Å; R87-D140 PolarHBondContact NH2-OD2 2.86Å
88G97.3Very high97Very high0 Ų047.5 Ų47.50%024%0.24CC..EExtended strand (participates in β ladder)trans166-161.6176.200000112F90 N91 N92 W93 T127G88-F90 PolarHBondContact O-N 3.47Å; G88-N91 PolarHBondContact N-OD1 3.11Å; G88-N91 PolarHBondContact O-N 2.7Å; G88-N91 PolarHBondContact O-OD1 2.88Å; G88-N92 PolarHBondContact O-N 3.28Å; G88-W93 PolarHBondContact O-N 3.44Å; G88-T127 CarbonylContact C-O 3.49Å; G88-T127 WeakPolarHBondContact CA-O 3.31Å
89D96.6Very high97Very high75 Ų7550.7 Ų50.740%0.40126%0.261SS..G310 helixtrans-61.6-32-180-58.4-35.3000112N91 N92 W93 T127D89-N91 PolarHBondContact O-N 2.98Å; D89-N92 PolarHBondContact O-N 3.15Å; D89-W93 PolarHBondContact OD1-NE1 3.02Å; D89-T127 PolarHBondContact N-O 2.99Å; D89-T127 PolarHBondContact OD2-N 2.85Å
90F96.7Very high97.1Very high47 Ų4749.4 Ų49.421%0.20625%0.251CS..G310 helixtrans-64.8-22.6-176.378.2-83000114.3L86 G88 H98 I112 V122 I128L86-F90 HydrophobicContact CB-CZ 4.44Å; L86-F90 HydrophobicContact CD2-CE1 4.06Å; L86-F90 HydrophobicContact CD2-CZ 3.8Å; L86-F90 HydrophobicContact CG-CE1 4.02Å; L86-F90 HydrophobicContact CG-CZ 3.92Å; G88-F90 PolarHBondContact O-N 3.47Å; F90-H98 AromaticContact CE2-CE1 3.63Å; F90-H98 AromaticContact CE2-ND1 3.93Å; F90-H98 AromaticContact CE2-NE2 3.69Å; F90-I112 HydrophobicContact CE2-CD1 3.88Å; F90-I112 HydrophobicContact CZ-CD1 4.12Å; F90-V122 HydrophobicContact CB-CB 4.49Å; F90-V122 HydrophobicContact CB-CG1 4.47Å; F90-V122 HydrophobicContact CB-CG2 4.13Å; F90-V122 HydrophobicContact CD1-CG1 4.44Å; F90-V122 HydrophobicContact CD1-CG2 3.94Å; F90-V122 HydrophobicContact CD2-CG2 4.02Å; F90-V122 HydrophobicContact CE1-CG2 4.37Å; F90-V122 HydrophobicContact CE2-CG2 4.44Å; F90-V122 HydrophobicContact CG-CG2 3.76Å; F90-I128 HydrophobicContact CD1-CG2 4.16Å; F90-I128 HydrophobicContact CE1-CG2 4.3Å
91N96.6Very high97.2Very high14 Ų1452.5 Ų52.58%0.07526%0.264CS..G310 helixtrans-123.123.7-179.374-16.3000112.6L86 R87 G88 D89 W93 D94 S97 H98L86-N91 PolarHBondContact O-ND2 2.89Å; R87-N91 WeakPolarHBondContact CA-ND2 3.3Å; G88-N91 PolarHBondContact N-OD1 3.11Å; G88-N91 PolarHBondContact O-N 2.7Å; G88-N91 PolarHBondContact O-OD1 2.88Å; D89-N91 PolarHBondContact O-N 2.98Å; N91-W93 PolarHBondContact O-N 3.28Å; N91-W93 PolarHBondContact OD1-N 2.71Å; N91-D94 PolarHBondContact ND2-O 3.24Å; N91-D94 WeakPolarHBondContact O-CB 3.45Å; N91-D94 PolarHBondContact O-N 3.04Å; N91-D94 VanDerWaalsContact O-N 3.13Å; N91-S97 PolarHBondContact ND2-OG 2.86Å; N91-H98 PolarHBondContact ND2-ND1 3.12Å
92N96.9Very high97.2Very high151 Ų15159.7 Ų59.781%0.80729%0.291SS*.THydrogen-bonded Turntrans53.534.1-176.7-56.5-55.9000113.3G88 D89 D94G88-N92 PolarHBondContact O-N 3.28Å; D89-N92 PolarHBondContact O-N 3.15Å; N92-D94 PolarHBondContact O-N 3.49Å
93W96.9Very high97.1Very high86 Ų8660.1 Ų60.133%0.32629%0.291SS..THydrogen-bonded Turntrans6119.6-179.4-65.587.3000115.2R87 G88 D89 N91 Q95 T127 K129R87-W93 HydrophobicContact CG-CE3 4.17Å; R87-W93 PolarHBondContact NH1-O 3.05Å; G88-W93 PolarHBondContact O-N 3.44Å; D89-W93 PolarHBondContact OD1-NE1 3.02Å; N91-W93 PolarHBondContact O-N 3.28Å; N91-W93 PolarHBondContact OD1-N 2.71Å; W93-Q95 PolarHBondContact O-N 2.91Å; W93-Q95 VanDerWaalsContact O-N 3.14Å; W93-T127 HydrophobicContact CH2-CG2 3.52Å; W93-T127 HydrophobicContact CZ2-CG2 3.68Å; W93-K129 HydrophobicContact CH2-CD 4.43Å; W93-K129 HydrophobicContact CH2-CG 4.26Å; W93-K129 HydrophobicContact CZ3-CD 4.07Å; W93-K129 HydrophobicContact CZ3-CG 3.99Å
94D97.1Very high97Very high85 Ų8565.3 Ų65.346%0.45532%0.317SS..  trans-61.2117.9172.3-175.5-33.7000109.7R87 N91 N92 Y96 S97R87-D94 WeakPolarHBondContact CB-O 3.35Å; N91-D94 PolarHBondContact ND2-O 3.24Å; N91-D94 WeakPolarHBondContact O-CB 3.45Å; N91-D94 PolarHBondContact O-N 3.04Å; N91-D94 VanDerWaalsContact O-N 3.13Å; N92-D94 PolarHBondContact O-N 3.49Å; D94-Y96 VanDerWaalsContact C-N 3.34Å; D94-Y96 PolarHBondContact O-N 3.13Å; D94-Y96 PolarHBondContact OD1-N 3.48Å; D94-S97 PolarHBondContact O-OG 2.86Å; D94-S97 PolarHBondContact OD1-N 2.98Å; D94-S97 VanDerWaalsContact OD1-N 3.12Å
95Q94.6Very high96.9Very high46 Ų4673.6 Ų73.622%0.21535%0.353CS..SBendtrans-68.5-28.7-171.7-171.1-176.1-34.600114.1Y85 W93 V131 V138Y85-Q95 VanDerWaalsContact CB-O 3.23Å; Y85-Q95 WeakPolarHBondContact CB-O 3.21Å; W93-Q95 PolarHBondContact O-N 2.91Å; W93-Q95 VanDerWaalsContact O-N 3.14Å; Q95-V131 HydrophobicContact CG-CG1 3.86Å; Q95-V131 HydrophobicContact CG-CG2 4.05Å; Q95-V138 HydrophobicContact CG-CG1 4.41Å
96Y96.2Very high96.7Very high122 Ų12271.8 Ų71.848%0.47835%0.349SS..SBendtrans-119.7-2.2-168.5-56.4-62.7000113.8Y85 D94 H98Y85-Y96 HydrophobicContact CD1-CD1 4.25Å; Y85-Y96 WeakPolarHBondContact CD1-O 3.18Å; Y85-Y96 HydrophobicContact CD2-CD1 4.12Å; Y85-Y96 AromaticContact CE1-CD1 3.91Å; Y85-Y96 HydrophobicContact CE1-CD1 3.91Å; Y85-Y96 AromaticContact CE2-CD1 3.81Å; Y85-Y96 HydrophobicContact CE2-CD1 3.81Å; Y85-Y96 HydrophobicContact CE2-CE1 4.22Å; Y85-Y96 HydrophobicContact CG-CD1 4.36Å; Y85-Y96 AromaticContact CZ-CD1 3.71Å; D94-Y96 VanDerWaalsContact C-N 3.34Å; D94-Y96 PolarHBondContact O-N 3.13Å; D94-Y96 PolarHBondContact OD1-N 3.48Å; Y96-H98 VanDerWaalsContact C-N 3.33Å; Y96-H98 PolarHBondContact O-N 3.04Å
97S95.7Very high96.7Very high48 Ų4873.4 Ų73.434%0.33636%0.356SS..SBendtrans-63.3-28-175.355.80000115.7N91 D94N91-S97 PolarHBondContact ND2-OG 2.86Å; D94-S97 PolarHBondContact O-OG 2.86Å; D94-S97 PolarHBondContact OD1-N 2.98Å; D94-S97 VanDerWaalsContact OD1-N 3.12Å
98H97.8Very high96.7Very high45 Ų4571.8 Ų71.821%0.20835%0.349CS..SBendtrans-128.376-175.8-60.474.8000111.6Y85 L86 F90 N91 Y96 L110Y85-H98 CarbonylContact C-O 3.6Å; Y85-H98 VanDerWaalsContact CA-O 3.28Å; Y85-H98 WeakPolarHBondContact CA-O 3.5Å; L86-H98 HydrophobicContact CB-CB 4.28Å; L86-H98 PolarHBondContact N-O 2.92Å; F90-H98 AromaticContact CE2-CE1 3.63Å; F90-H98 AromaticContact CE2-ND1 3.93Å; F90-H98 AromaticContact CE2-NE2 3.69Å; N91-H98 PolarHBondContact ND2-ND1 3.12Å; Y96-H98 VanDerWaalsContact C-N 3.33Å; Y96-H98 PolarHBondContact O-N 3.04Å; H98-L110 HydrophobicContact CB-CD1 4.44Å; H98-L110 HydrophobicContact CB-CD2 3.99Å
99P98.1Very high96.8Very high68 Ų6873.6 Ų73.644%0.44236%0.358SS..BIsolated β-bridgetrans-69.5145.1178.728.4-34.1000112.1Y85 L110Y85-P99 VanDerWaalsContact CD1-CA 3.46Å; Y85-P99 HydrophobicContact CD1-CB 3.7Å; Y85-P99 HydrophobicContact CE1-CB 3.65Å; P99-L110 WeakPolarHBondContact O-CD1 3.11Å
100Y98.5Very high96.8Very high10 Ų1070.8 Ų70.84%0.03934%0.343CS..PPolyproline II helixtrans-86.5143.3167.4-69.7-125.6000110.1C74 E76 L84 L86 W108 E109 L110C74-Y100 HydrophobicContact CB-CD1 4.43Å; C74-Y100 HydrophobicContact CB-CE1 3.4Å; C74-Y100 VanDerWaalsContact CB-CE1 3.4Å; C74-Y100 VanDerWaalsContact CB-OH 3.25Å; C74-Y100 WeakPolarHBondContact CB-OH 3.45Å; E76-Y100 HydrophobicContact CG-CE1 4.11Å; L84-Y100 HydrophobicContact CB-CD2 3.97Å; L84-Y100 HydrophobicContact CB-CG 4.01Å; L84-Y100 PolarHBondContact O-N 2.84Å; L86-Y100 HydrophobicContact CB-CE2 3.89Å; Y100-W108 HydrophobicContact CD1-CB 3.95Å; Y100-W108 HydrophobicContact CG-CB 4.34Å; Y100-E109 CarbonylContact C-O 3.55Å; Y100-E109 VanDerWaalsContact CA-O 3.27Å; Y100-E109 WeakPolarHBondContact CA-O 3.35Å; Y100-L110 HydrophobicContact CD1-CB 3.79Å; Y100-L110 HydrophobicContact CD2-CB 3.89Å; Y100-L110 HydrophobicContact CD2-CD2 3.96Å; Y100-L110 HydrophobicContact CE1-CB 4.02Å; Y100-L110 HydrophobicContact CE2-CB 4.1Å; Y100-L110 HydrophobicContact CE2-CD2 3.68Å; Y100-L110 HydrophobicContact CG-CB 3.72Å
101D98.1Very high96.9Very high117 Ų11774.4 Ų74.463%0.62636%0.356SS*.EExtended strand (participates in β ladder)trans-78130.4168.8-66.6-44.6000110.1W108 E109D101-W108 CarbonylContact O-C 3.57Å; D101-W108 VanDerWaalsContact O-CA 3.29Å; D101-W108 WeakPolarHBondContact O-CA 3.19Å; D101-E109 PolarHBondContact N-O 3.46Å; D101-E109 PolarHBondContact O-N 3.46Å
102R97.4Very high97Very high152 Ų15274.3 Ų74.357%0.57436%0.355SS*.EExtended strand (participates in β ladder)trans-75129.3175.1-167.3175.9-175164.66.3110P79 W108P79-R102 PolarHBondContact O-NH2 2.93Å; R102-W108 HydrophobicContact CB-CD2 4.26Å; R102-W108 HydrophobicContact CB-CE3 3.8Å; R102-W108 HydrophobicContact CB-CH2 3.77Å; R102-W108 HydrophobicContact CB-CZ2 4.21Å; R102-W108 HydrophobicContact CB-CZ3 3.55Å; R102-W108 HydrophobicContact CG-CD2 4.24Å; R102-W108 HydrophobicContact CG-CE3 4.26Å; R102-W108 HydrophobicContact CG-CH2 3.83Å; R102-W108 HydrophobicContact CG-CZ2 3.78Å; R102-W108 HydrophobicContact CG-CZ3 4.08Å
103M95.9Very high97Very high82 Ų8270.8 Ų70.840%0.40434%0.34SS..  trans-110.7174.9177.5-54.4-61.9-79.600110.6K107 E109M103-K107 WeakPolarHBondContact CA-O 3.23Å; M103-K107 HydrophobicContact CB-CB 4.08Å; M103-K107 WeakPolarHBondContact CB-O 3.32Å; M103-K107 PolarHBondContact N-O 2.75Å; M103-E109 HydrophobicContact CG-CB 4.23Å; M103-E109 HydrophobicContact CG-CG 3.89Å
104D94.9Very high97Very high130 Ų13068.8 Ų68.870%0.69534%0.339SS*.G310 helixtrans-60158173-66.6-32.4000112.1G106 K107D104-G106 PolarHBondContact O-N 2.82Å; D104-G106 VanDerWaalsContact O-N 3.16Å; D104-K107 PolarHBondContact O-N 3.07Å
105F94.9Very high96.9Very high175 Ų17568.1 Ų68.177%0.76834%0.335SS*.G310 helixtrans58.924.2177.6-49.7-76.2000114.7W77 K107W77-F105 PolarHBondContact NE1-O 2.91Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.87Å
106G95.1Very high96.9Very high9 Ų974.9 Ų74.99%0.09337%0.371CS..G310 helixtrans75.419.1176.700000114.3A78 D104A78-G106 CarbonylContact C-O 3.53Å; A78-G106 PolarHBondContact N-O 2.87Å; D104-G106 PolarHBondContact O-N 2.82Å; D104-G106 VanDerWaalsContact O-N 3.16Å
107K97.5Very high96.8Very high34 Ų3474.6 Ų74.615%0.14838%0.378CS..EExtended strand (participates in β ladder)trans-86.1155.5175-60.8175.6-171.7-171.20109.7Y62 E76 M103 D104 F105 E318Y62-K107 WeakPolarHBondContact OH-CD 3.4Å; Y62-K107 WeakPolarHBondContact OH-CE 3.24Å; Y62-K107 PolarHBondContact OH-NZ 2.74Å; E76-K107 CarbonylContact O-C 3.5Å; E76-K107 WeakPolarHBondContact O-CA 3.42Å; M103-K107 WeakPolarHBondContact CA-O 3.23Å; M103-K107 HydrophobicContact CB-CB 4.08Å; M103-K107 WeakPolarHBondContact CB-O 3.32Å; M103-K107 PolarHBondContact N-O 2.75Å; D104-K107 PolarHBondContact O-N 3.07Å; F105-K107 VanDerWaalsContact C-N 3.3Å; F105-K107 PolarHBondContact O-N 2.87Å; K107-E318 WeakPolarHBondContact CE-OE1 3.49Å; K107-E318 IonicContact NZ-OE1 2.9Å; K107-E318 PolarHBondContact NZ-OE1 2.92Å
108W98.6Very high96.8Very high11 Ų1174 Ų744%0.04238%0.378CS..EExtended strand (participates in β ladder)trans-137.2137.8-179-64.385000109.2R75 E76 A78 A81 L84 Y100 D101 R102R75-W108 CarbonylContact C-O 3.4Å; R75-W108 WeakPolarHBondContact CA-O 3.35Å; E76-W108 PolarHBondContact N-O 2.96Å; E76-W108 PolarHBondContact O-N 2.84Å; A78-W108 PolarHBondContact O-NE1 3.27Å; A81-W108 HydrophobicContact CB-CZ2 4.48Å; A81-W108 WeakPolarHBondContact O-CZ2 3.3Å; L84-W108 HydrophobicContact CB-CD2 4.37Å; L84-W108 HydrophobicContact CB-CE3 4.32Å; L84-W108 HydrophobicContact CD1-CB 3.65Å; L84-W108 HydrophobicContact CD1-CD2 4.05Å; L84-W108 HydrophobicContact CD1-CG 3.51Å; L84-W108 HydrophobicContact CG-CB 4.43Å; L84-W108 HydrophobicContact CG-CD2 3.95Å; L84-W108 HydrophobicContact CG-CE3 4.36Å; L84-W108 HydrophobicContact CG-CG 3.97Å; Y100-W108 HydrophobicContact CD1-CB 3.95Å; Y100-W108 HydrophobicContact CG-CB 4.34Å; D101-W108 CarbonylContact O-C 3.57Å; D101-W108 VanDerWaalsContact O-CA 3.29Å; D101-W108 WeakPolarHBondContact O-CA 3.19Å; R102-W108 HydrophobicContact CB-CD2 4.26Å; R102-W108 HydrophobicContact CB-CE3 3.8Å; R102-W108 HydrophobicContact CB-CH2 3.77Å; R102-W108 HydrophobicContact CB-CZ2 4.21Å; R102-W108 HydrophobicContact CB-CZ3 3.55Å; R102-W108 HydrophobicContact CG-CD2 4.24Å; R102-W108 HydrophobicContact CG-CE3 4.26Å; R102-W108 HydrophobicContact CG-CH2 3.83Å; R102-W108 HydrophobicContact CG-CZ2 3.78Å; R102-W108 HydrophobicContact CG-CZ3 4.08Å
109E98.3Very high96.6Very high39 Ų3974.7 Ų74.718%0.18239%0.386CS..EExtended strand (participates in β ladder)trans-130.6144.8-177.6-69.4-179.1-166.500112.1F73 C74 R75 Y100 D101 M103F73-E109 HydrophobicContact CE2-CB 4.4Å; F73-E109 HydrophobicContact CE2-CG 4.41Å; F73-E109 HydrophobicContact CZ-CB 4.5Å; F73-E109 HydrophobicContact CZ-CG 4.05Å; C74-E109 CarbonylContact O-C 3.46Å; C74-E109 VanDerWaalsContact O-CA 3.31Å; C74-E109 WeakPolarHBondContact O-CA 3.43Å; R75-E109 HydrophobicContact CB-CG 4.21Å; R75-E109 HydrophobicContact CG-CG 3.93Å; R75-E109 IonicContact CZ-OE1 2.65Å; R75-E109 IonicContact NE-OE1 3.62Å; R75-E109 PolarHBondContact NE-OE1 2.89Å; R75-E109 IonicContact NH2-OE1 3.67Å; R75-E109 PolarHBondContact NH2-OE1 3.24Å; R75-E109 IonicContact NH2-OE2 3.45Å; Y100-E109 CarbonylContact C-O 3.55Å; Y100-E109 VanDerWaalsContact CA-O 3.27Å; Y100-E109 WeakPolarHBondContact CA-O 3.35Å; D101-E109 PolarHBondContact N-O 3.46Å; D101-E109 PolarHBondContact O-N 3.46Å; M103-E109 HydrophobicContact CG-CB 4.23Å; M103-E109 HydrophobicContact CG-CG 3.89Å
110L98.2Very high96.5Very high15 Ų1572.6 Ų72.68%0.07937%0.373CS..EExtended strand (participates in β ladder)trans-141.4138173.9162.567.5000108.7F73 C74 L86 H98 P99 Y100 I112F73-L110 WeakPolarHBondContact CA-O 3.19Å; C74-L110 HydrophobicContact CB-CB 4.15Å; C74-L110 PolarHBondContact N-O 3.3Å; C74-L110 PolarHBondContact O-N 2.78Å; L86-L110 HydrophobicContact CB-CD2 3.64Å; L86-L110 HydrophobicContact CD2-CD2 4.25Å; H98-L110 HydrophobicContact CB-CD1 4.44Å; H98-L110 HydrophobicContact CB-CD2 3.99Å; P99-L110 WeakPolarHBondContact O-CD1 3.11Å; Y100-L110 HydrophobicContact CD1-CB 3.79Å; Y100-L110 HydrophobicContact CD2-CB 3.89Å; Y100-L110 HydrophobicContact CD2-CD2 3.96Å; Y100-L110 HydrophobicContact CE1-CB 4.02Å; Y100-L110 HydrophobicContact CE2-CB 4.1Å; Y100-L110 HydrophobicContact CE2-CD2 3.68Å; Y100-L110 HydrophobicContact CG-CB 3.72Å; L110-I112 HydrophobicContact CD1-CG1 4.15Å; L110-I112 HydrophobicContact CD2-CD1 4.15Å; L110-I112 HydrophobicContact CD2-CG1 4.14Å; L110-I112 HydrophobicContact CG-CG1 4.05Å
111Y98.1Very high96.4Very high124 Ų12473.1 Ų73.149%0.48638%0.377SS..EExtended strand (participates in β ladder)trans-122.2123.4169.7179.9-109000110.8T67 I72 F73 P113T67-Y111 HydrophobicContact CG2-CD2 4.36Å; T67-Y111 HydrophobicContact CG2-CE2 3.82Å; I72-Y111 CarbonylContact O-C 3.55Å; I72-Y111 WeakPolarHBondContact O-CA 3.36Å; I72-Y111 WeakPolarHBondContact O-CD2 3.35Å; F73-Y111 HydrophobicContact CB-CD2 4.45Å; Y111-P113 HydrophobicContact CE1-CB 4.28Å
112I97.7Very high96.4Very high11 Ų1167.6 Ų67.66%0.05635%0.348CS..EExtended strand (participates in β ladder)trans-107.7117.9173.7-47.8179.9000107.6G71 I72 L86 F90 L110 P121G71-I112 CarbonylContact C-O 3.48Å; G71-I112 VanDerWaalsContact CA-O 3.25Å; G71-I112 WeakPolarHBondContact CA-O 3.32Å; I72-I112 HydrophobicContact CB-CB 4.21Å; I72-I112 PolarHBondContact N-O 3.19Å; I72-I112 PolarHBondContact O-N 3.04Å; L86-I112 HydrophobicContact CD2-CD1 3.81Å; F90-I112 HydrophobicContact CE2-CD1 3.88Å; F90-I112 HydrophobicContact CZ-CD1 4.12Å; L110-I112 HydrophobicContact CD1-CG1 4.15Å; L110-I112 HydrophobicContact CD2-CD1 4.15Å; L110-I112 HydrophobicContact CD2-CG1 4.14Å; L110-I112 HydrophobicContact CG-CG1 4.05Å; I112-P121 HydrophobicContact CB-CG 4.18Å; I112-P121 HydrophobicContact CG2-CB 3.88Å; I112-P121 HydrophobicContact CG2-CG 3.72Å
113P97.3Very high96.3Very high77 Ų7768.4 Ų68.450%0.536%0.356SS..PPolyproline II helixtrans-65.3159.117928.4-34.6000111.6Y111 P121Y111-P113 HydrophobicContact CE1-CB 4.28Å; P113-P121 WeakPolarHBondContact O-CG 3.24Å
114P97.2Very high96.3Very high45 Ų4568 Ų6829%0.29235%0.353SS..PPolyproline II helixtrans-58.5158.3170.328.2-36000111.4G69 N70G69-P114 WeakPolarHBondContact O-CG 3.03Å; N70-P114 HydrophobicContact CB-CB 4.31Å
115N95.8Very high96.4Very high70 Ų7063.8 Ų63.837%0.37434%0.34SS..PPolyproline II helixtrans-59.6162.3169.8-70-34.2000110.6D117 G118 T119 C120N115-D117 WeakPolarHBondContact CB-OD1 3.43Å; N115-D117 PolarHBondContact O-N 3.41Å; N115-D117 VanDerWaalsContact O-N 3.1Å; N115-G118 WeakPolarHBondContact O-CA 3.05Å; N115-G118 PolarHBondContact O-N 3.19Å; N115-T119 PolarHBondContact N-O 2.82Å; N115-T119 PolarHBondContact ND2-OG1 3.28Å; N115-C120 PolarHBondContact ND2-O 3.34Å
116I94.6Very high96.5Very high189 Ų18956 Ų5697%0.96931%0.308SS*.THydrogen-bonded Turntrans-56.8-29.8179.8-64.8170.9000112G118I116-G118 VanDerWaalsContact C-N 3.26Å; I116-G118 PolarHBondContact O-N 3.38Å
117D94.1Very high96.6Very high116 Ų11656.7 Ų56.762%0.6231%0.31SS*.THydrogen-bonded Turntrans-81.42.4176.266.8-0.5000114.2N115 T119N115-D117 WeakPolarHBondContact CB-OD1 3.43Å; N115-D117 PolarHBondContact O-N 3.41Å; N115-D117 VanDerWaalsContact O-N 3.1Å; D117-T119 VanDerWaalsContact C-N 3.3Å; D117-T119 PolarHBondContact O-N 2.9Å; D117-T119 VanDerWaalsContact OD1-CB 3.29Å; D117-T119 WeakPolarHBondContact OD1-CB 3.19Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.41Å; D117-T119 PolarHBondContact OD1-N 3.38Å; D117-T119 PolarHBondContact OD1-OG1 2.69Å; D117-T119 PolarHBondContact OD2-OG1 3.38Å
118G94Very high96.6Very high34 Ų3455.1 Ų55.135%0.35130%0.303SS..SBendtrans80.63.5-178.400000114.7N70 N115 I116N70-G118 WeakPolarHBondContact CB-O 3.47Å; N70-G118 PolarHBondContact ND2-O 2.92Å; N115-G118 WeakPolarHBondContact O-CA 3.05Å; N115-G118 PolarHBondContact O-N 3.19Å; I116-G118 VanDerWaalsContact C-N 3.26Å; I116-G118 PolarHBondContact O-N 3.38Å
119T94.4Very high96.5Very high61 Ų6155.7 Ų55.737%0.37431%0.306SS..  trans-79.3161.7176.865.90000112.1N115 D117N115-T119 PolarHBondContact N-O 2.82Å; N115-T119 PolarHBondContact ND2-OG1 3.28Å; D117-T119 VanDerWaalsContact C-N 3.3Å; D117-T119 PolarHBondContact O-N 2.9Å; D117-T119 VanDerWaalsContact OD1-CB 3.29Å; D117-T119 WeakPolarHBondContact OD1-CB 3.19Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.41Å; D117-T119 PolarHBondContact OD1-N 3.38Å; D117-T119 PolarHBondContact OD1-OG1 2.69Å; D117-T119 PolarHBondContact OD2-OG1 3.38Å
120C96.1Very high96.5Very high24 Ų2453.9 Ų53.916%0.16230%0.297CS..  trans-64.9132176.6-175.60000110.8N70 I72 N115 V122N70-C120 VanDerWaalsContact O-CA 3.3Å; N70-C120 WeakPolarHBondContact O-CA 3.29Å; I72-C120 VanDerWaalsContact CD1-SG 3.59Å; N115-C120 PolarHBondContact ND2-O 3.34Å; C120-V122 PolarHBondContact O-N 2.97Å; C120-V122 PolarHBondContact SG-O 2.97Å
121P96.5Very high96.5Very high20 Ų2053.1 Ų53.113%0.1329%0.293CS..SBendtrans-66.8-23.7-176.528.6-35.3000112.1N70 I72 I112 P113N70-P121 VanDerWaalsContact O-CD 3.24Å; N70-P121 WeakPolarHBondContact O-CD 3.47Å; I72-P121 HydrophobicContact CB-CG 4.43Å; I72-P121 HydrophobicContact CG1-CG 3.77Å; I112-P121 HydrophobicContact CB-CG 4.18Å; I112-P121 HydrophobicContact CG2-CB 3.88Å; I112-P121 HydrophobicContact CG2-CG 3.72Å; P113-P121 WeakPolarHBondContact O-CG 3.24Å
122V96.9Very high96.5Very high1 Ų147.2 Ų47.21%0.00627%0.27CS..SBendtrans-108118.6174.8-1730000108.6I72 F90 C120 S126 I128 F162I72-V122 HydrophobicContact CG1-CB 4.41Å; I72-V122 HydrophobicContact CG1-CG2 4.01Å; F90-V122 HydrophobicContact CB-CB 4.49Å; F90-V122 HydrophobicContact CB-CG1 4.47Å; F90-V122 HydrophobicContact CB-CG2 4.13Å; F90-V122 HydrophobicContact CD1-CG1 4.44Å; F90-V122 HydrophobicContact CD1-CG2 3.94Å; F90-V122 HydrophobicContact CD2-CG2 4.02Å; F90-V122 HydrophobicContact CE1-CG2 4.37Å; F90-V122 HydrophobicContact CE2-CG2 4.44Å; F90-V122 HydrophobicContact CG-CG2 3.76Å; C120-V122 PolarHBondContact O-N 2.97Å; C120-V122 PolarHBondContact SG-O 2.97Å; V122-S126 WeakPolarHBondContact CG1-OG 3.46Å; V122-I128 HydrophobicContact CG1-CG2 3.95Å; V122-F162 HydrophobicContact CB-CD1 3.97Å; V122-F162 HydrophobicContact CB-CD2 4.47Å; V122-F162 HydrophobicContact CB-CE1 4.13Å; V122-F162 HydrophobicContact CB-CG 4.15Å; V122-F162 HydrophobicContact CB-CZ 4.47Å; V122-F162 HydrophobicContact CG1-CB 3.65Å; V122-F162 HydrophobicContact CG1-CD1 3.56Å; V122-F162 HydrophobicContact CG1-CD2 4.02Å; V122-F162 HydrophobicContact CG1-CE1 4.23Å; V122-F162 HydrophobicContact CG1-CG 3.44Å; V122-F162 VanDerWaalsContact CG1-CG 3.44Å; V122-F162 WeakPolarHBondContact O-CD1 3.45Å; V122-F162 WeakPolarHBondContact O-CE1 3.31Å
123K96.2Very high96.5Very high170 Ų17047.9 Ų47.974%0.73927%0.274SS*.  trans-74.6137.3-179.5-173.8-179.5176.8-177.50110.4G125 S126K123-G125 PolarHBondContact O-N 2.94Å; K123-S126 VanDerWaalsContact O-CB 3.28Å; K123-S126 WeakPolarHBondContact O-CB 3.42Å; K123-S126 PolarHBondContact O-N 2.72Å; K123-S126 PolarHBondContact O-OG 2.87Å
124H96.5Very high96.4Very high73 Ų7345.8 Ų45.834%0.33826%0.257SS..THydrogen-bonded Turntrans-51.4133.5172.2172.950.4000111.9S126 F162 Y163 N164H124-S126 VanDerWaalsContact C-N 3.32Å; H124-F162 PolarHBondContact ND1-O 3.16Å; H124-F162 VanDerWaalsContact ND1-O 3.15Å; H124-Y163 AromaticContact CE1-CD2 3.76Å; H124-Y163 AromaticContact CE1-CE2 3.89Å; H124-N164 WeakPolarHBondContact CB-O 3.29Å; H124-N164 PolarHBondContact ND1-N 3.19Å
125G96.4Very high96.3Very high42 Ų4249.6 Ų49.643%0.43328%0.276SS..THydrogen-bonded Turntrans87.2-3.9-179.300000114.1K123 F162K123-G125 PolarHBondContact O-N 2.94Å; G125-F162 PolarHBondContact N-O 2.88Å
126S97Very high96.2Very high12 Ų1249.5 Ų49.58%0.08429%0.291CS..  trans-71.3147.6172.7660000111.5V122 K123 H124 F162V122-S126 WeakPolarHBondContact CG1-OG 3.46Å; K123-S126 VanDerWaalsContact O-CB 3.28Å; K123-S126 WeakPolarHBondContact O-CB 3.42Å; K123-S126 PolarHBondContact O-N 2.72Å; K123-S126 PolarHBondContact O-OG 2.87Å; H124-S126 VanDerWaalsContact C-N 3.32Å; S126-F162 PolarHBondContact O-N 3.09Å
127T97.3Very high96.2Very high22 Ų2244.6 Ų44.614%0.13527%0.266CS..EExtended strand (participates in β ladder)trans-78.9139.5171.7-62.30000110.9G88 D89 W93 D159 Q160G88-T127 CarbonylContact C-O 3.49Å; G88-T127 WeakPolarHBondContact CA-O 3.31Å; D89-T127 PolarHBondContact N-O 2.99Å; D89-T127 PolarHBondContact OD2-N 2.85Å; W93-T127 HydrophobicContact CH2-CG2 3.52Å; W93-T127 HydrophobicContact CZ2-CG2 3.68Å; T127-D159 HydrophobicContact CG2-CB 3.67Å; T127-Q160 WeakPolarHBondContact CA-O 3.44Å
128I97.3Very high96.3Very high2 Ų241.9 Ų41.91%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-137.1154.6176.461.8-173.4000110.8I64 R87 F90 V122 Q160 F162I64-I128 HydrophobicContact CD1-CD1 3.4Å; I64-I128 VanDerWaalsContact CD1-CD1 3.4Å; I64-I128 HydrophobicContact CD1-CG1 4.22Å; I64-I128 HydrophobicContact CG2-CD1 4.33Å; R87-I128 CarbonylContact O-C 3.58Å; R87-I128 VanDerWaalsContact O-CA 3.31Å; R87-I128 WeakPolarHBondContact O-CA 3.44Å; F90-I128 HydrophobicContact CD1-CG2 4.16Å; F90-I128 HydrophobicContact CE1-CG2 4.3Å; V122-I128 HydrophobicContact CG1-CG2 3.95Å; I128-Q160 HydrophobicContact CD1-CG 4.11Å; I128-Q160 HydrophobicContact CG1-CB 4.15Å; I128-Q160 HydrophobicContact CG1-CG 3.76Å; I128-Q160 PolarHBondContact N-O 3.41Å; I128-Q160 WeakPolarHBondContact O-CB 3.35Å; I128-F162 HydrophobicContact CD1-CB 4.05Å; I128-F162 HydrophobicContact CD1-CD2 4.17Å; I128-F162 HydrophobicContact CG2-CB 4.43Å
129K97.1Very high96.4Very high23 Ų2344.3 Ų44.310%0.125%0.253CS..EExtended strand (participates in β ladder)trans-143.9149.8172.7-61.6-160.1-176-156.40111R87 W93 D140 D159R87-K129 HydrophobicContact CG-CB 4.33Å; R87-K129 PolarHBondContact N-O 2.84Å; R87-K129 PolarHBondContact O-N 3.49Å; W93-K129 HydrophobicContact CH2-CD 4.43Å; W93-K129 HydrophobicContact CH2-CG 4.26Å; W93-K129 HydrophobicContact CZ3-CD 4.07Å; W93-K129 HydrophobicContact CZ3-CG 3.99Å; K129-D140 HydrophobicContact CD-CB 3.66Å; K129-D140 WeakPolarHBondContact CD-OD2 3.35Å; K129-D159 WeakPolarHBondContact CE-OD1 3.42Å; K129-D159 IonicContact NZ-OD1 3.63Å; K129-D159 PolarHBondContact NZ-OD1 2.76Å
130V97.7Very high96.5Very high0 Ų043.7 Ų43.70%025%0.247CC..EExtended strand (participates in β ladder)trans-92.6122.8167.7-1780000107.8L84 Y85 L86 V132 K141 W288L84-V130 HydrophobicContact CD2-CG1 4.35Å; Y85-V130 WeakPolarHBondContact O-CA 3.29Å; L86-V130 HydrophobicContact CD1-CG2 4.38Å; V130-V132 HydrophobicContact CG1-CG2 4.33Å; V130-K141 PolarHBondContact N-O 2.8Å; V130-K141 PolarHBondContact O-N 2.85Å; V130-W288 HydrophobicContact CB-CH2 3.8Å; V130-W288 HydrophobicContact CB-CZ3 4.35Å; V130-W288 HydrophobicContact CG1-CH2 3.84Å; V130-W288 HydrophobicContact CG1-CZ2 4.46Å; V130-W288 HydrophobicContact CG2-CH2 4.04Å
131V97.9Very high96.5Very high0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-85.2121.1173.6-176.70000107.9L84 Y85 R87 Q95 V133 V138 Y139L84-V131 VanDerWaalsContact CA-O 3.29Å; L84-V131 WeakPolarHBondContact CA-O 3.36Å; Y85-V131 HydrophobicContact CD2-CB 4.33Å; Y85-V131 HydrophobicContact CD2-CG1 4.3Å; Y85-V131 PolarHBondContact N-O 3.19Å; Y85-V131 PolarHBondContact O-N 3.09Å; R87-V131 HydrophobicContact CB-CG2 4.3Å; R87-V131 VanDerWaalsContact CD-CG2 3.46Å; R87-V131 HydrophobicContact CG-CG2 3.7Å; Q95-V131 HydrophobicContact CG-CG1 3.86Å; Q95-V131 HydrophobicContact CG-CG2 4.05Å; V131-V133 HydrophobicContact CG1-CG2 4.48Å; V131-V138 HydrophobicContact CG1-CG1 3.49Å; V131-V138 VanDerWaalsContact CG1-CG1 3.49Å; V131-Y139 CarbonylContact C-O 3.53Å; V131-Y139 WeakPolarHBondContact CA-O 3.3Å
132V97.7Very high96.6Very high0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-109.2119176.8-176.20000108.7A81 L84 V130 Y139 K141A81-V132 HydrophobicContact CB-CG1 3.99Å; L84-V132 HydrophobicContact CD2-CB 4.04Å; L84-V132 HydrophobicContact CD2-CG1 3.98Å; L84-V132 HydrophobicContact CD2-CG2 3.71Å; V130-V132 HydrophobicContact CG1-CG2 4.33Å; V132-Y139 PolarHBondContact N-O 3.26Å; V132-Y139 PolarHBondContact O-N 2.74Å; V132-K141 HydrophobicContact CB-CG 4.32Å; V132-K141 HydrophobicContact CG2-CB 4.12Å; V132-K141 HydrophobicContact CG2-CG 3.68Å
133V97.7Very high96.6Very high24 Ų2442.3 Ų42.315%0.14524%0.237CC..EExtended strand (participates in β ladder)trans-98.3126174.7-175.80000109.2D82 A83 Y85 V131 N137 V138D82-V133 WeakPolarHBondContact CB-O 3.33Å; D82-V133 PolarHBondContact N-O 2.97Å; A83-V133 HydrophobicContact CB-CB 4.17Å; A83-V133 HydrophobicContact CB-CG2 4.31Å; A83-V133 PolarHBondContact O-N 3.31Å; Y85-V133 HydrophobicContact CD2-CG2 4.32Å; Y85-V133 HydrophobicContact CE2-CG2 3.89Å; V131-V133 HydrophobicContact CG1-CG2 4.48Å; V133-N137 CarbonylContact C-O 3.59Å; V133-N137 WeakPolarHBondContact CA-O 3.37Å; V133-V138 HydrophobicContact CG2-CG2 4.41Å
134K96.5Very high96.7Very high33 Ų3334.6 Ų34.614%0.14320%0.204CC..EExtended strand (participates in β ladder)trans-145.4126.9174.4-175.668-166.2163.10112.6C80 D82 G136 N137 Y139C80-K134 WeakPolarHBondContact O-CD 3.49Å; C80-K134 VanDerWaalsContact O-CE 3.27Å; C80-K134 WeakPolarHBondContact O-CE 3.49Å; C80-K134 PolarHBondContact O-NZ 3.03Å; D82-K134 IonicContact OD1-NZ 3.71Å; D82-K134 PolarHBondContact OD1-NZ 3.5Å; D82-K134 WeakPolarHBondContact OD2-CA 3.46Å; K134-G136 PolarHBondContact O-N 3.33Å; K134-N137 PolarHBondContact N-O 3Å; K134-N137 WeakPolarHBondContact O-CB 3.24Å; K134-N137 PolarHBondContact O-N 2.88Å; K134-Y139 HydrophobicContact CB-CE2 4.24Å
135N95.4Very high96.8Very high126 Ų12631.3 Ų31.367%0.67419%0.189SC*.THydrogen-bonded Turntrans51.639.3179.1-61.9-24.6000112.5D82 N137D82-N135 PolarHBondContact OD2-N 2.86Å; N135-N137 PolarHBondContact O-N 3.41Å
136G92.9Very high96.9Very high67 Ų6729.4 Ų29.469%0.69117%0.169SC*.THydrogen-bonded Turntrans77-8.1-176.300000115.3K134K134-G136 PolarHBondContact O-N 3.33Å
137N95.5Very high96.9Very high86 Ų8630.1 Ų30.146%0.4617%0.173SC..EExtended strand (participates in β ladder)trans-84150.2172.1-59.4-59.9000110.6V133 K134 N135 Y139V133-N137 CarbonylContact C-O 3.59Å; V133-N137 WeakPolarHBondContact CA-O 3.37Å; K134-N137 PolarHBondContact N-O 3Å; K134-N137 WeakPolarHBondContact O-CB 3.24Å; K134-N137 PolarHBondContact O-N 2.88Å; N135-N137 PolarHBondContact O-N 3.41Å; N137-Y139 HydrophobicContact CB-CE1 4.24Å; N137-Y139 HydrophobicContact CB-CE2 3.6Å; N137-Y139 VanDerWaalsContact CB-CZ 3.43Å; N137-Y139 WeakPolarHBondContact CB-OH 3.37Å; N137-Y139 PolarHBondContact ND2-OH 2.57Å
138V96.1Very high96.9Very high59 Ų5930.3 Ų30.336%0.35817%0.171SC..EExtended strand (participates in β ladder)trans-119.3126.9178.71790000108.1Q95 V131 V133Q95-V138 HydrophobicContact CG-CG1 4.41Å; V131-V138 HydrophobicContact CG1-CG1 3.49Å; V131-V138 VanDerWaalsContact CG1-CG1 3.49Å; V133-V138 HydrophobicContact CG2-CG2 4.41Å
139Y95.6Very high97Very high86 Ų8630.2 Ų30.234%0.33717%0.171SC..EExtended strand (participates in β ladder)trans-121.1137177.5-51-78.2000110.4V131 V132 K134 N137V131-Y139 CarbonylContact C-O 3.53Å; V131-Y139 WeakPolarHBondContact CA-O 3.3Å; V132-Y139 PolarHBondContact N-O 3.26Å; V132-Y139 PolarHBondContact O-N 2.74Å; K134-Y139 HydrophobicContact CB-CE2 4.24Å; N137-Y139 HydrophobicContact CB-CE1 4.24Å; N137-Y139 HydrophobicContact CB-CE2 3.6Å; N137-Y139 VanDerWaalsContact CB-CZ 3.43Å; N137-Y139 WeakPolarHBondContact CB-OH 3.37Å; N137-Y139 PolarHBondContact ND2-OH 2.57Å
140D95.3Very high97Very high47 Ų4730.5 Ų30.525%0.25118%0.175SC..EExtended strand (participates in β ladder)trans-83.7131.7161.1-90.2-15.2000109.7R87 K129R87-D140 IonicContact CZ-OD1 2.91Å; R87-D140 IonicContact CZ-OD2 3.16Å; R87-D140 IonicContact NE-OD1 3.55Å; R87-D140 PolarHBondContact NE-OD1 2.82Å; R87-D140 IonicContact NE-OD2 2.8Å; R87-D140 IonicContact NH2-OD1 2.79Å; R87-D140 PolarHBondContact NH2-OD1 3.07Å; R87-D140 IonicContact NH2-OD2 2.63Å; R87-D140 PolarHBondContact NH2-OD2 2.86Å; K129-D140 HydrophobicContact CD-CB 3.66Å; K129-D140 WeakPolarHBondContact CD-OD2 3.35Å
141K97.2Very high96.8Very high6 Ų633 Ų333%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-135.9157.4177.9-59.8-70.6-170.5165.40111.2V130 V132 T281 N286 Q287 W288V130-K141 PolarHBondContact N-O 2.8Å; V130-K141 PolarHBondContact O-N 2.85Å; V132-K141 HydrophobicContact CB-CG 4.32Å; V132-K141 HydrophobicContact CG2-CB 4.12Å; V132-K141 HydrophobicContact CG2-CG 3.68Å; K141-T281 VanDerWaalsContact CD-O 3.32Å; K141-T281 WeakPolarHBondContact CD-O 3.32Å; K141-T281 WeakPolarHBondContact CE-O 3.48Å; K141-T281 PolarHBondContact NZ-O 3.19Å; K141-N286 PolarHBondContact NZ-O 2.91Å; K141-N286 VanDerWaalsContact NZ-O 3.17Å; K141-Q287 WeakPolarHBondContact CE-O 3.27Å; K141-Q287 PolarHBondContact NZ-O 3.2Å; K141-W288 HydrophobicContact CB-CE3 3.57Å; K141-W288 HydrophobicContact CB-CH2 4.34Å; K141-W288 HydrophobicContact CB-CZ3 3.26Å; K141-W288 HydrophobicContact CG-CE3 4.07Å; K141-W288 HydrophobicContact CG-CZ3 4.17Å
142L97.3Very high96.4Very high8 Ų834.9 Ų34.94%0.04221%0.205CC..  trans-94.1137.5169.5-46.8-172.5000108.4V149 Q160 D283 W288L142-V149 HydrophobicContact CD1-CB 4.27Å; L142-V149 HydrophobicContact CD1-CG1 3.83Å; L142-Q160 HydrophobicContact CB-CB 4.38Å; L142-Q160 HydrophobicContact CD2-CB 3.87Å; L142-D283 HydrophobicContact CD1-CB 3.89Å; L142-W288 WeakPolarHBondContact O-CZ3 3.43Å
143S98Very high95.8Very high2 Ų241.6 Ų41.61%0.01425%0.248CC..  trans-52.5134.1176.4175.10000110.4E76 W145 A146E76-S143 WeakPolarHBondContact OE1-CB 3.3Å; E76-S143 PolarHBondContact OE1-OG 3.37Å; S143-W145 PolarHBondContact O-N 3.41Å; S143-W145 PolarHBondContact OG-N 3.34Å; S143-W145 VanDerWaalsContact OG-N 3.17Å; S143-A146 WeakPolarHBondContact O-CB 3.18Å; S143-A146 PolarHBondContact O-N 3.37Å
144P98.1Very high94.9Very high8 Ų850.7 Ų50.75%0.05229%0.286CS..THydrogen-bonded Turntrans-52.7-26.2170.3-29.236.6000112.6L285 W288 Y295 F322P144-L285 HydrophobicContact CB-CD1 3.6Å; P144-L285 HydrophobicContact CG-CD1 3.67Å; P144-W288 VanDerWaalsContact CD-CE2 3.49Å; P144-W288 VanDerWaalsContact CD-CH2 3.45Å; P144-W288 HydrophobicContact CG-CD2 3.62Å; P144-W288 HydrophobicContact CG-CE3 4.06Å; P144-W288 HydrophobicContact CG-CG 3.97Å; P144-W288 HydrophobicContact CG-CH2 4.41Å; P144-W288 HydrophobicContact CG-CZ2 3.99Å; P144-W288 HydrophobicContact CG-CZ3 4.43Å; P144-Y295 HydrophobicContact CB-CE2 4.24Å; P144-Y295 HydrophobicContact CG-CE2 3.86Å; P144-F322 HydrophobicContact CB-CD2 4.42Å; P144-F322 HydrophobicContact CB-CE2 3.7Å; P144-F322 HydrophobicContact CB-CZ 4.36Å; P144-F322 VanDerWaalsContact O-CE2 3.31Å; P144-F322 WeakPolarHBondContact O-CE2 3.48Å
145W98.4Very high94Very high5 Ų550.4 Ų50.42%0.01929%0.292CS..THydrogen-bonded Turntrans-100.816.8-178.1-54.786.2000112.6Y62 S143 T147 Y242 F322Y62-W145 VanDerWaalsContact CB-CD2 3.41Å; Y62-W145 HydrophobicContact CD1-CZ2 4.45Å; Y62-W145 AromaticContact CD1-NE1 3.88Å; Y62-W145 HydrophobicContact CD2-CH2 4.05Å; Y62-W145 AromaticContact CD2-CZ2 3.69Å; Y62-W145 HydrophobicContact CD2-CZ2 3.69Å; Y62-W145 HydrophobicContact CE2-CZ2 4.32Å; Y62-W145 HydrophobicContact CG-CD2 4.26Å; Y62-W145 AromaticContact CG-CE2 3.66Å; Y62-W145 HydrophobicContact CG-CH2 4.39Å; Y62-W145 AromaticContact CG-CZ2 3.75Å; Y62-W145 HydrophobicContact CG-CZ2 3.75Å; Y62-W145 AromaticContact CG-NE1 3.79Å; S143-W145 PolarHBondContact O-N 3.41Å; S143-W145 PolarHBondContact OG-N 3.34Å; S143-W145 VanDerWaalsContact OG-N 3.17Å; W145-T147 PolarHBondContact O-N 3.29Å; W145-Y242 HydrophobicContact CD2-CE2 4.26Å; W145-Y242 HydrophobicContact CE3-CD1 4.44Å; W145-Y242 HydrophobicContact CE3-CD2 4.29Å; W145-Y242 AromaticContact CE3-CE1 3.83Å; W145-Y242 HydrophobicContact CE3-CE1 3.83Å; W145-Y242 AromaticContact CE3-CE2 3.68Å; W145-Y242 HydrophobicContact CE3-CE2 3.68Å; W145-Y242 AromaticContact CE3-CZ 3.4Å; W145-Y242 AromaticContact CZ3-CE1 3.93Å; W145-Y242 HydrophobicContact CZ3-CE1 3.93Å; W145-Y242 AromaticContact CZ3-CE2 3.97Å; W145-Y242 HydrophobicContact CZ3-CE2 3.97Å; W145-Y242 AromaticContact CZ3-CZ 3.36Å; W145-Y242 WeakPolarHBondContact CZ3-OH 3.4Å; W145-F322 HydrophobicContact CD2-CD2 4.23Å; W145-F322 HydrophobicContact CD2-CE2 4.48Å; W145-F322 AromaticContact CE2-CD2 3.76Å; W145-F322 HydrophobicContact CH2-CB 4.42Å; W145-F322 HydrophobicContact CH2-CD2 4.21Å; W145-F322 HydrophobicContact CZ2-CB 4.2Å; W145-F322 AromaticContact CZ2-CD2 3.76Å; W145-F322 HydrophobicContact CZ2-CD2 3.76Å; W145-F322 HydrophobicContact CZ2-CG 4.48Å
146A98.1Very high93.5Very high1 Ų151.8 Ų51.81%0.00830%0.3CS..  trans-57.9130.417600000110.6S143 V149 Q160 Y242 A243S143-A146 WeakPolarHBondContact O-CB 3.18Å; S143-A146 PolarHBondContact O-N 3.37Å; A146-V149 HydrophobicContact CB-CG1 3.83Å; A146-Q160 HydrophobicContact CB-CG 3.94Å; A146-Y242 CarbonylContact O-C 3.59Å; A146-Y242 WeakPolarHBondContact O-CB 3.21Å; A146-A243 PolarHBondContact O-N 3.12Å
147T97.7Very high93.5Very high27 Ų2751.4 Ų51.417%0.16628%0.284CS..SBendtrans-97.6-13.7-176.255.30000113.1W145 P244 W329W145-T147 PolarHBondContact O-N 3.29Å; T147-P244 WeakPolarHBondContact O-CD 3.27Å; T147-W329 HydrophobicContact CG2-CH2 3.5Å; T147-W329 VanDerWaalsContact CG2-CH2 3.5Å; T147-W329 HydrophobicContact CG2-CZ2 3.64Å; T147-W329 HydrophobicContact CG2-CZ3 4.37Å
148Y98.2Very high93.5Very high26 Ų2647.7 Ų47.710%0.10226%0.264CS..  trans-159.6131.2174.4-164.7-128.2000109.3C150 I161 Y163 P251Y148-C150 WeakPolarHBondContact CE1-SG 3.43Å; Y148-I161 HydrophobicContact CD1-CB 3.81Å; Y148-I161 HydrophobicContact CD1-CG1 4.3Å; Y148-I161 HydrophobicContact CD1-CG2 4.02Å; Y148-I161 HydrophobicContact CE1-CB 4.5Å; Y148-I161 PolarHBondContact O-N 3.27Å; Y148-Y163 AromaticContact CD1-CD2 3.48Å; Y148-Y163 HydrophobicContact CD1-CD2 3.48Å; Y148-Y163 VanDerWaalsContact CD1-CD2 3.48Å; Y148-Y163 AromaticContact CD1-CE2 3.98Å; Y148-Y163 HydrophobicContact CD1-CE2 3.98Å; Y148-Y163 HydrophobicContact CD1-CG 4.38Å; Y148-Y163 HydrophobicContact CE1-CD2 4.18Å; Y148-Y163 HydrophobicContact CE1-CE2 4.27Å; Y148-Y163 AromaticContact CG-CD2 3.8Å; Y148-Y163 HydrophobicContact CG-CD2 3.8Å; Y148-Y163 HydrophobicContact CG-CE2 4.32Å; Y148-Y163 HydrophobicContact CG-CG 4.35Å; Y148-P251 VanDerWaalsContact CD2-CD 3.4Å; Y148-P251 HydrophobicContact CD2-CG 3.76Å; Y148-P251 VanDerWaalsContact CE2-CD 3.5Å; Y148-P251 HydrophobicContact CE2-CG 4.35Å; Y148-P251 HydrophobicContact CG-CG 4.16Å
149V98.1Very high93.5Very high0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-133.1153.9175.7-580000107.4L142 A146 Y158 D159 Q160 E227 A243 S246L142-V149 HydrophobicContact CD1-CB 4.27Å; L142-V149 HydrophobicContact CD1-CG1 3.83Å; A146-V149 HydrophobicContact CB-CG1 3.83Å; V149-Y158 HydrophobicContact CB-CD1 4.28Å; V149-Y158 HydrophobicContact CG2-CD1 3.8Å; V149-D159 CarbonylContact C-O 3.39Å; V149-D159 WeakPolarHBondContact CA-O 3.49Å; V149-D159 WeakPolarHBondContact CB-O 3.29Å; V149-Q160 HydrophobicContact CG1-CB 4.21Å; V149-E227 HydrophobicContact CG2-CB 4.33Å; V149-E227 HydrophobicContact CG2-CG 3.48Å; V149-E227 VanDerWaalsContact CG2-CG 3.48Å; V149-A243 HydrophobicContact CG2-CB 4.32Å; V149-S246 WeakPolarHBondContact O-CB 3.48Å; V149-S246 PolarHBondContact O-OG 3.17Å
150C96.9Very high93.6Very high29 Ų2942.5 Ų42.520%0.19624%0.239CC..EExtended strand (participates in β ladder)trans-140.3145179.6-72.50000110.3Y148 Y158 D159 I161Y148-C150 WeakPolarHBondContact CE1-SG 3.43Å; C150-Y158 VanDerWaalsContact C-CD1 3.41Å; C150-Y158 WeakPolarHBondContact O-CA 3.5Å; C150-D159 PolarHBondContact N-O 2.95Å; C150-D159 PolarHBondContact O-N 3.34Å; C150-I161 HydrophobicContact CB-CD1 4.32Å; C150-I161 HydrophobicContact CB-CG1 3.86Å
151C93.7Very high93.7Very high52 Ų5241.4 Ų41.435%0.35123%0.233SC..  trans-77.8124168.3-165.80000109.4G155 Y158C151-G155 PolarHBondContact SG-O 2.63Å; C151-Y158 HydrophobicContact CB-CD1 4.3Å; C151-Y158 HydrophobicContact CB-CD2 4.02Å; C151-Y158 HydrophobicContact CB-CE1 4.05Å; C151-Y158 HydrophobicContact CB-CE2 3.7Å; C151-Y158 HydrophobicContact CB-CG 4.29Å
152P90.5Very high93.8Very high40 Ų4041.6 Ų41.626%0.2623%0.234SC..  trans-67.8149.9177.227.7-33.3000110.7K154 G155 V157P152-K154 PolarHBondContact O-N 3.01Å; P152-G155 PolarHBondContact O-N 3.43Å; P152-V157 WeakPolarHBondContact CD-O 3.32Å
153P84Confident93.7Very high142 Ų14243 Ų4392%0.92224%0.239SC*.THydrogen-bonded Turntrans-57.1-17.6-171.9-2834.6000117.1
154K78.4Confident93.6Very high215 Ų21544.7 Ų44.794%0.93525%0.248SC*.THydrogen-bonded Turntrans-126.314-179.4-65.7-174.3178.1-179.60113.2P152P152-K154 PolarHBondContact O-N 3.01Å
155G79.2Confident93.4Very high27 Ų2745 Ų4528%0.27825%0.25SC..  trans-119.5168.2179.800000112.4C151 P152C151-G155 PolarHBondContact SG-O 2.63Å; P152-G155 PolarHBondContact O-N 3.43Å
156N84.1Confident93.1Very high154 Ų15450.7 Ų50.782%0.82429%0.287SS*.SBendtrans-115.1-2.5174-62.5-14.8000112
157V92.5Very high92.8Very high60 Ų6056.4 Ų56.436%0.36432%0.322SS..SBendtrans-111.2128.1-179.6178.80000107.3P152 A282 D283P152-V157 WeakPolarHBondContact CD-O 3.32Å; V157-A282 HydrophobicContact CG1-CB 3.67Å; V157-A282 HydrophobicContact CG2-CB 4.27Å; V157-D283 HydrophobicContact CG1-CB 4.13Å
158Y96.4Very high92.7Very high8 Ų860.1 Ų60.13%0.03134%0.336CS..  trans-70.8151.3-180-78.2-120.5000112V149 C150 C151 E227 A229 R247 D283V149-Y158 HydrophobicContact CB-CD1 4.28Å; V149-Y158 HydrophobicContact CG2-CD1 3.8Å; C150-Y158 VanDerWaalsContact C-CD1 3.41Å; C150-Y158 WeakPolarHBondContact O-CA 3.5Å; C151-Y158 HydrophobicContact CB-CD1 4.3Å; C151-Y158 HydrophobicContact CB-CD2 4.02Å; C151-Y158 HydrophobicContact CB-CE1 4.05Å; C151-Y158 HydrophobicContact CB-CE2 3.7Å; C151-Y158 HydrophobicContact CB-CG 4.29Å; Y158-E227 HydrophobicContact CE1-CG 4.44Å; Y158-A229 HydrophobicContact CD2-CB 4.09Å; Y158-A229 HydrophobicContact CE2-CB 3.9Å; Y158-R247 PolarHBondContact OH-NH1 3.03Å; Y158-R247 VanDerWaalsContact OH-NH1 3.13Å; Y158-R247 PolarHBondContact OH-NH2 3.28Å; Y158-D283 PolarHBondContact N-OD2 3.2Å
159D96.4Very high92.6Very high29 Ų2961.1 Ų61.116%0.15534%0.34CS..EExtended strand (participates in β ladder)trans-113140.2175-76.5-33.8000109.7T127 K129 V149 C150 I161T127-D159 HydrophobicContact CG2-CB 3.67Å; K129-D159 WeakPolarHBondContact CE-OD1 3.42Å; K129-D159 IonicContact NZ-OD1 3.63Å; K129-D159 PolarHBondContact NZ-OD1 2.76Å; V149-D159 CarbonylContact C-O 3.39Å; V149-D159 WeakPolarHBondContact CA-O 3.49Å; V149-D159 WeakPolarHBondContact CB-O 3.29Å; C150-D159 PolarHBondContact N-O 2.95Å; C150-D159 PolarHBondContact O-N 3.34Å; D159-I161 HydrophobicContact CB-CD1 4.49Å
160Q97.7Very high92.6Very high7 Ų768.4 Ų68.43%0.03337%0.374CS..EExtended strand (participates in β ladder)trans-78.5127174175.9178.4-7.200109.4T127 I128 L142 A146 V149T127-Q160 WeakPolarHBondContact CA-O 3.44Å; I128-Q160 HydrophobicContact CD1-CG 4.11Å; I128-Q160 HydrophobicContact CG1-CB 4.15Å; I128-Q160 HydrophobicContact CG1-CG 3.76Å; I128-Q160 PolarHBondContact N-O 3.41Å; I128-Q160 WeakPolarHBondContact O-CB 3.35Å; L142-Q160 HydrophobicContact CB-CB 4.38Å; L142-Q160 HydrophobicContact CD2-CB 3.87Å; A146-Q160 HydrophobicContact CB-CG 3.94Å; V149-Q160 HydrophobicContact CG1-CB 4.21Å
161I97.5Very high92.6Very high23 Ų2369.6 Ų69.612%0.11838%0.376CS..EExtended strand (participates in β ladder)trans-103.1127.5-178.4-55.1-54.2000108.4Y148 C150 D159 Y163Y148-I161 HydrophobicContact CD1-CB 3.81Å; Y148-I161 HydrophobicContact CD1-CG1 4.3Å; Y148-I161 HydrophobicContact CD1-CG2 4.02Å; Y148-I161 HydrophobicContact CE1-CB 4.5Å; Y148-I161 PolarHBondContact O-N 3.27Å; C150-I161 HydrophobicContact CB-CD1 4.32Å; C150-I161 HydrophobicContact CB-CG1 3.86Å; D159-I161 HydrophobicContact CB-CD1 4.49Å; I161-Y163 PolarHBondContact O-N 3.45Å
162F97.6Very high92.8Very high10 Ų1074.8 Ų74.84%0.04439%0.392CS..  trans-66.9102.9175.5-176.3-111.9000110.8I64 T66 I72 V122 H124 G125 S126 I128 N164I64-F162 HydrophobicContact CG2-CD2 4.21Å; I64-F162 HydrophobicContact CG2-CE2 4.11Å; T66-F162 WeakPolarHBondContact OG1-CZ 3.48Å; I72-F162 HydrophobicContact CD1-CE1 4.45Å; I72-F162 HydrophobicContact CD1-CE2 3.62Å; I72-F162 HydrophobicContact CD1-CZ 3.45Å; I72-F162 VanDerWaalsContact CD1-CZ 3.45Å; V122-F162 HydrophobicContact CB-CD1 3.97Å; V122-F162 HydrophobicContact CB-CD2 4.47Å; V122-F162 HydrophobicContact CB-CE1 4.13Å; V122-F162 HydrophobicContact CB-CG 4.15Å; V122-F162 HydrophobicContact CB-CZ 4.47Å; V122-F162 HydrophobicContact CG1-CB 3.65Å; V122-F162 HydrophobicContact CG1-CD1 3.56Å; V122-F162 HydrophobicContact CG1-CD2 4.02Å; V122-F162 HydrophobicContact CG1-CE1 4.23Å; V122-F162 HydrophobicContact CG1-CG 3.44Å; V122-F162 VanDerWaalsContact CG1-CG 3.44Å; V122-F162 WeakPolarHBondContact O-CD1 3.45Å; V122-F162 WeakPolarHBondContact O-CE1 3.31Å; H124-F162 PolarHBondContact ND1-O 3.16Å; H124-F162 VanDerWaalsContact ND1-O 3.15Å; G125-F162 PolarHBondContact N-O 2.88Å; S126-F162 PolarHBondContact O-N 3.09Å; I128-F162 HydrophobicContact CD1-CB 4.05Å; I128-F162 HydrophobicContact CD1-CD2 4.17Å; I128-F162 HydrophobicContact CG2-CB 4.43Å; F162-N164 HydrophobicContact CD1-CB 4.39Å; F162-N164 HydrophobicContact CE1-CB 3.63Å; F162-N164 HydrophobicContact CZ-CB 3.77Å; F162-N164 PolarHBondContact O-N 3.09Å
163Y96.6Very high93.2Very high37 Ų3776.4 Ų76.415%0.14540%0.396CS..  trans-99.588.1-172.7-157-94.9000112.4H124 Y148 I161 P165 T250 P251 E252H124-Y163 AromaticContact CE1-CD2 3.76Å; H124-Y163 AromaticContact CE1-CE2 3.89Å; Y148-Y163 AromaticContact CD1-CD2 3.48Å; Y148-Y163 HydrophobicContact CD1-CD2 3.48Å; Y148-Y163 VanDerWaalsContact CD1-CD2 3.48Å; Y148-Y163 AromaticContact CD1-CE2 3.98Å; Y148-Y163 HydrophobicContact CD1-CE2 3.98Å; Y148-Y163 HydrophobicContact CD1-CG 4.38Å; Y148-Y163 HydrophobicContact CE1-CD2 4.18Å; Y148-Y163 HydrophobicContact CE1-CE2 4.27Å; Y148-Y163 AromaticContact CG-CD2 3.8Å; Y148-Y163 HydrophobicContact CG-CD2 3.8Å; Y148-Y163 HydrophobicContact CG-CE2 4.32Å; Y148-Y163 HydrophobicContact CG-CG 4.35Å; I161-Y163 PolarHBondContact O-N 3.45Å; Y163-P165 HydrophobicContact CD1-CG 4.35Å; Y163-P165 HydrophobicContact CE1-CG 3.8Å; Y163-T250 WeakPolarHBondContact OH-CB 3.47Å; Y163-P251 HydrophobicContact CD1-CB 4.22Å; Y163-P251 HydrophobicContact CD1-CG 3.95Å; Y163-P251 HydrophobicContact CD2-CG 4.33Å; Y163-P251 HydrophobicContact CE1-CB 3.56Å; Y163-P251 HydrophobicContact CE1-CG 3.62Å; Y163-P251 HydrophobicContact CE2-CG 4.03Å; Y163-P251 HydrophobicContact CG-CG 4.29Å; Y163-P251 VanDerWaalsContact CZ-CD 3.47Å; Y163-E252 HydrophobicContact CE1-CG 4.46Å; Y163-E252 WeakPolarHBondContact OH-CG 3.43Å; Y163-E252 PolarHBondContact OH-N 2.88Å
164N94.9Very high93.8Very high38 Ų3874.9 Ų74.920%0.20339%0.386CS..  trans-134.670.2171.8-17436.2000110.1T66 H124 F162 K168T66-N164 PolarHBondContact OG1-ND2 3.34Å; H124-N164 WeakPolarHBondContact CB-O 3.29Å; H124-N164 PolarHBondContact ND1-N 3.19Å; F162-N164 HydrophobicContact CD1-CB 4.39Å; F162-N164 HydrophobicContact CE1-CB 3.63Å; F162-N164 HydrophobicContact CZ-CB 3.77Å; F162-N164 PolarHBondContact O-N 3.09Å; N164-K168 WeakPolarHBondContact OD1-CE 3.41Å; N164-K168 PolarHBondContact OD1-NZ 3.28Å
165P94.9Very high94.6Very high14 Ų1468.4 Ų68.49%0.09136%0.358CS..  trans-61.1144.2-174.226.9-35.5000111.1Y163 V167 K168 E252Y163-P165 HydrophobicContact CD1-CG 4.35Å; Y163-P165 HydrophobicContact CE1-CG 3.8Å; P165-V167 PolarHBondContact O-N 3.3Å; P165-K168 HydrophobicContact CG-CG 4.15Å; P165-E252 HydrophobicContact CG-CG 4.27Å
166P92Very high95.4Very high125 Ų12567.9 Ų67.981%0.81235%0.35SS*.SBendtrans-64.1-29.2179.825.7-34.2000112.5
167V92.5Very high96Very high121 Ų12165.4 Ų65.473%0.73334%0.342SS*.SBendtrans-117.7119.2173.4-176.70000107.9P165P165-V167 PolarHBondContact O-N 3.3Å
168K94.9Very high96.1Very high106 Ų10665.5 Ų65.546%0.46134%0.338SS..  trans-97.4141.5176.1-67.7174.9-177.3175.10109N164 P165 H170N164-K168 WeakPolarHBondContact OD1-CE 3.41Å; N164-K168 PolarHBondContact OD1-NZ 3.28Å; P165-K168 HydrophobicContact CG-CG 4.15Å; K168-H170 PolarHBondContact O-CD2 2.99Å; K168-H170 VanDerWaalsContact O-CD2 3.28Å; K168-H170 PolarHBondContact O-N 3.44Å
169Y96.8Very high96.1Very high47 Ų4766.4 Ų66.418%0.18434%0.344CS..  trans-65.8132.2172.6-169.2-94.9000109.8F171 E252 K255 L256 D259Y169-F171 HydrophobicContact CE1-CD1 4.45Å; Y169-F171 HydrophobicContact CE1-CG 4.44Å; Y169-E252 WeakPolarHBondContact CA-OE2 3.19Å; Y169-E252 WeakPolarHBondContact CB-OE2 3.26Å; Y169-E252 PolarHBondContact N-OE2 3.35Å; Y169-K255 HydrophobicContact CD1-CB 3.61Å; Y169-K255 HydrophobicContact CD1-CD 4.44Å; Y169-K255 HydrophobicContact CE1-CB 4.31Å; Y169-K255 HydrophobicContact CG-CB 4.12Å; Y169-L256 HydrophobicContact CD2-CB 4.37Å; Y169-L256 HydrophobicContact CE2-CB 3.93Å; Y169-L256 HydrophobicContact CE2-CD1 3.74Å; Y169-L256 HydrophobicContact CE2-CG 4.38Å; Y169-L256 WeakPolarHBondContact OH-CD1 2.95Å; Y169-D259 HydrophobicContact CE1-CB 3.86Å; Y169-D259 WeakPolarHBondContact CE1-OD2 3.34Å; Y169-D259 PolarHBondContact OH-OD2 3.31Å
170H96.8Very high96Very high152 Ų15272.3 Ų72.370%0.70436%0.364SS*.  trans-112118.8173.2-66.7-74.9000108.1K168 K172K168-H170 PolarHBondContact O-CD2 2.99Å; K168-H170 VanDerWaalsContact O-CD2 3.28Å; K168-H170 PolarHBondContact O-N 3.44Å; H170-K172 PolarHBondContact O-N 3.42Å
171F97.9Very high96Very high55 Ų5572 Ų7224%0.24136%0.363CS..  trans-56.5133.2175.5-74.8-91.7000110.6Y169 K255 I258 D259 Y334 K335Y169-F171 HydrophobicContact CE1-CD1 4.45Å; Y169-F171 HydrophobicContact CE1-CG 4.44Å; F171-K255 HydrophobicContact CE1-CB 4.31Å; F171-K255 WeakPolarHBondContact CE1-O 3.38Å; F171-K255 HydrophobicContact CE2-CB 3.95Å; F171-K255 HydrophobicContact CE2-CD 4.1Å; F171-K255 HydrophobicContact CE2-CG 3.85Å; F171-K255 HydrophobicContact CZ-CB 3.6Å; F171-K255 HydrophobicContact CZ-CD 4.49Å; F171-K255 HydrophobicContact CZ-CG 3.75Å; F171-I258 HydrophobicContact CE1-CB 4.4Å; F171-I258 HydrophobicContact CE1-CG2 4.4Å; F171-D259 HydrophobicContact CD1-CB 3.6Å; F171-D259 HydrophobicContact CE1-CB 3.95Å; F171-Y334 VanDerWaalsContact CZ-O 3.31Å; F171-Y334 WeakPolarHBondContact CZ-O 3.35Å; F171-K335 HydrophobicContact CD1-CB 4.28Å; F171-K335 HydrophobicContact CD1-CG 3.77Å; F171-K335 HydrophobicContact CD2-CG 3.81Å; F171-K335 HydrophobicContact CE1-CB 3.82Å; F171-K335 HydrophobicContact CE1-CG 3.6Å; F171-K335 HydrophobicContact CE2-CG 3.62Å; F171-K335 HydrophobicContact CG-CG 3.88Å; F171-K335 HydrophobicContact CZ-CB 3.97Å; F171-K335 HydrophobicContact CZ-CG 3.52Å
172K98.1Very high96Very high160 Ų16071 Ų7170%0.69636%0.358SS*.  trans-101.7-27.4-177.1-61.1173.2-172.6167.50111.9H170 D259H170-K172 PolarHBondContact O-N 3.42Å; K172-D259 PolarHBondContact N-OD1 2.68Å; K172-D259 PolarHBondContact N-OD2 2.71Å
173H97.9Very high96.1Very high75 Ų7571 Ų7135%0.34736%0.358SS..SBendtrans-108.9144.1-175.7-48.792.6000110.9D259 H262 S263H173-D259 WeakPolarHBondContact CB-OD1 3.3Å; H173-D259 IonicContact CG-OD1 2.93Å; H173-D259 PolarHBondContact N-OD1 2.83Å; H173-D259 PolarHBondContact ND1-O 3.01Å; H173-D259 VanDerWaalsContact ND1-O 3.09Å; H173-D259 IonicContact ND1-OD1 3.89Å; H173-D259 PolarHBondContact ND1-OD1 2.97Å; H173-D259 IonicContact ND1-OD2 3.03Å; H173-H262 HydrophobicContact CB-CB 4.2Å; H173-S263 VanDerWaalsContact CE1-CB 3.47Å; H173-S263 WeakPolarHBondContact CE1-CB 3.41Å; H173-S263 WeakPolarHBondContact NE2-CB 3.41Å
174P96Very high96.2Very high109 Ų10969.2 Ų69.271%0.70835%0.351SS*.PPolyproline II helixtrans-71.5160.6170.632.6-34.8000110.4
175K96.6Very high96.3Very high80 Ų8067.6 Ų67.635%0.34834%0.342SS..PPolyproline II helixtrans-61.5137.7168.5-71.2170158.2-89.80109.7K335 F336 D337K175-K335 VanDerWaalsContact CE-O 3.32Å; K175-K335 WeakPolarHBondContact CE-O 3.33Å; K175-K335 PolarHBondContact NZ-O 2.86Å; K175-F336 VanDerWaalsContact NZ-C 3.28Å; K175-F336 PolarHBondContact NZ-O 3.17Å; K175-D337 WeakPolarHBondContact CG-OD1 3.32Å; K175-D337 IonicContact NZ-OD1 3.81Å; K175-D337 PolarHBondContact NZ-OD1 2.64Å
176P96.1Very high96.5Very high16 Ų1667 Ų6710%0.10434%0.338CS..PPolyproline II helixtrans-67.8156.5171.818.3-17.3000111.2H262 G265 M266 I267P176-H262 VanDerWaalsContact CD-CD2 3.46Å; P176-H262 WeakPolarHBondContact CD-CD2 3.46Å; P176-G265 WeakPolarHBondContact CB-O 3.12Å; P176-M266 VanDerWaalsContact CG-C 3.47Å; P176-M266 VanDerWaalsContact CG-O 3.24Å; P176-M266 WeakPolarHBondContact CG-O 3.24Å; P176-I267 HydrophobicContact CB-CG2 4.46Å; P176-I267 HydrophobicContact CG-CG2 3.83Å
177P95.4Very high96.8Very high102 Ų10261 Ų6166%0.66230%0.299SS*.PPolyproline II helixtrans-66.1155.617429.8-35.1000111.3P179P177-P179 WeakPolarHBondContact O-CD 3.35Å
178K95.7Very high97.1Very high62 Ų6255.2 Ų55.227%0.2726%0.264SS..PPolyproline II helixtrans-57.1121.2175.1-175.2164.3-179.4157.80110.1D391 I392 V393 D417K178-D391 HydrophobicContact CB-CB 4.09Å; K178-I392 PolarHBondContact NZ-O 2.78Å; K178-V393 HydrophobicContact CD-CG2 4.27Å; K178-V393 HydrophobicContact CG-CG2 4.31Å; K178-D417 IonicContact NZ-OD1 2.7Å; K178-D417 PolarHBondContact NZ-OD1 3.39Å; K178-D417 IonicContact NZ-OD2 3.51Å
179P95.8Very high97.2Very high27 Ų2750.2 Ų50.218%0.17524%0.242CC..PPolyproline II helixtrans-62.1152.3177.9-23.333.9000112.2P177 S181 L182 I267P177-P179 WeakPolarHBondContact O-CD 3.35Å; P179-S181 VanDerWaalsContact C-N 3.32Å; P179-S181 WeakPolarHBondContact CB-O 3.16Å; P179-S181 PolarHBondContact O-N 2.85Å; P179-L182 HydrophobicContact CB-CD2 4.32Å; P179-L182 HydrophobicContact CG-CD2 4.14Å; P179-I267 HydrophobicContact CG-CD1 4.18Å; P179-I267 HydrophobicContact CG-CG1 4.31Å; P179-I267 HydrophobicContact CG-CG2 4.36Å
180R95Very high97.3Very high152 Ų15248 Ų4857%0.57423%0.233SC*.SBendtrans-63.9-38.7177.5-177.9178.4173.5176-1.8112.3H580 S583R180-H580 PolarHBondContact NH1-CD2 3Å; R180-H580 VanDerWaalsContact NH1-CD2 3.25Å; R180-S583 WeakPolarHBondContact CD-OG 3.43Å; R180-S583 PolarHBondContact NE-OG 2.83Å; R180-S583 PolarHBondContact NH2-OG 3.27Å
181S96.8Very high97.3Very high2 Ų240.7 Ų40.71%0.01420%0.2CC..SBendtrans-137.5148.3172.939.30000108P179 N218 E576P179-S181 VanDerWaalsContact C-N 3.32Å; P179-S181 WeakPolarHBondContact CB-O 3.16Å; P179-S181 PolarHBondContact O-N 2.85Å; S181-N218 PolarHBondContact O-ND2 2.76Å; S181-E576 PolarHBondContact OG-OE1 3.43Å; S181-E576 PolarHBondContact OG-OE2 3.47Å
182L98.2Very high97.3Very high2 Ų238.1 Ų38.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-92129.9178.1-63.6178.4000110.1P179 I184 A219 I267 V393 Y418 I459 G519 W520P179-L182 HydrophobicContact CB-CD2 4.32Å; P179-L182 HydrophobicContact CG-CD2 4.14Å; L182-I184 HydrophobicContact CB-CD1 4.12Å; L182-I184 HydrophobicContact CB-CG1 3.85Å; L182-I184 HydrophobicContact CD1-CD1 4.15Å; L182-A219 HydrophobicContact CD2-CB 4.37Å; L182-I267 HydrophobicContact CD2-CD1 3.6Å; L182-V393 HydrophobicContact CD1-CG1 3.69Å; L182-Y418 HydrophobicContact CD1-CD2 3.99Å; L182-Y418 HydrophobicContact CD1-CE2 3.66Å; L182-Y418 HydrophobicContact CG-CE2 4.34Å; L182-I459 HydrophobicContact CB-CD1 4.28Å; L182-I459 HydrophobicContact CD1-CD1 4.16Å; L182-G519 CarbonylContact O-C 3.25Å; L182-G519 VanDerWaalsContact O-CA 3.24Å; L182-G519 WeakPolarHBondContact O-CA 3.48Å; L182-W520 PolarHBondContact O-N 2.9Å
183R98.5Very high97.2Very high9 Ų930.6 Ų30.63%0.03416%0.156CC..EExtended strand (participates in β ladder)trans-121.396.3166.6-61.6-178.6-57.7-85.6-0.2106.2G216 Y217 N218 A219 E576 E577 L582R183-G216 PolarHBondContact NE-O 3.26Å; R183-G216 PolarHBondContact NH2-O 3.39Å; R183-G216 VanDerWaalsContact NH2-O 3.16Å; R183-Y217 HydrophobicContact CB-CD1 4.24Å; R183-Y217 WeakPolarHBondContact O-CD1 3.33Å; R183-N218 PolarHBondContact N-OD1 3.43Å; R183-N218 PolarHBondContact NH1-ND2 2.99Å; R183-N218 PolarHBondContact NH2-ND2 3.47Å; R183-N218 PolarHBondContact O-N 2.89Å; R183-N218 PolarHBondContact O-OD1 3.32Å; R183-A219 PolarHBondContact O-N 3.04Å; R183-A219 VanDerWaalsContact O-N 3.12Å; R183-E576 WeakPolarHBondContact CD-OE2 3.48Å; R183-E576 IonicContact CZ-OE2 3.97Å; R183-E576 IonicContact NE-OE2 2.95Å; R183-E576 IonicContact NH1-OE2 3.73Å; R183-E576 PolarHBondContact NH1-OE2 2.65Å; R183-E577 IonicContact CZ-OE2 3.63Å; R183-E577 IonicContact NH1-OE2 3.3Å; R183-E577 PolarHBondContact NH1-OE2 3.15Å; R183-E577 IonicContact NH2-OE2 3.72Å; R183-E577 PolarHBondContact NH2-OE2 3.46Å; R183-L582 HydrophobicContact CG-CD1 4.14Å
184I98.8Very high97.1Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-96.2126.5-166.6-53.3177.9000109.8L182 A219 Q221 L269 I395 I459 W520 L521 N522L182-I184 HydrophobicContact CB-CD1 4.12Å; L182-I184 HydrophobicContact CB-CG1 3.85Å; L182-I184 HydrophobicContact CD1-CD1 4.15Å; I184-A219 CarbonylContact C-O 3.58Å; I184-A219 WeakPolarHBondContact CA-O 3.38Å; I184-A219 HydrophobicContact CB-CB 4.46Å; I184-A219 HydrophobicContact CG1-CB 3.99Å; I184-Q221 HydrophobicContact CG2-CB 3.51Å; I184-L269 HydrophobicContact CD1-CD1 4.28Å; I184-I395 HydrophobicContact CD1-CD1 3.62Å; I184-I459 HydrophobicContact CD1-CD1 4.09Å; I184-I459 HydrophobicContact CD1-CG1 4.22Å; I184-I459 HydrophobicContact CD1-CG2 4.13Å; I184-W520 WeakPolarHBondContact CB-O 3.19Å; I184-W520 PolarHBondContact N-O 3.07Å; I184-L521 HydrophobicContact CB-CB 4.15Å; I184-L521 HydrophobicContact CB-CD1 4.42Å; I184-L521 HydrophobicContact CB-CG 4.28Å; I184-L521 HydrophobicContact CG2-CD1 4.12Å; I184-L521 HydrophobicContact CG2-CG 4.29Å; I184-L521 CarbonylContact O-C 3.56Å; I184-L521 VanDerWaalsContact O-CA 3.32Å; I184-L521 WeakPolarHBondContact O-CA 3.47Å; I184-N522 PolarHBondContact O-N 3.04Å
185Y98.7Very high97Very high3 Ų328.8 Ų28.81%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-98.2104.5166.8-160.3-88.6000108.9A187 I212 Y217 A219 I220 Q221 N522 I524 E527Y185-A187 HydrophobicContact CD1-CB 4.19Å; Y185-A187 HydrophobicContact CE1-CB 4.47Å; Y185-I212 HydrophobicContact CD1-CD1 3.48Å; Y185-I212 VanDerWaalsContact CD1-CD1 3.48Å; Y185-I212 HydrophobicContact CD1-CG1 3.56Å; Y185-I212 HydrophobicContact CD1-CG2 4.5Å; Y185-I212 HydrophobicContact CD2-CG1 4.27Å; Y185-I212 HydrophobicContact CD2-CG2 4.42Å; Y185-I212 HydrophobicContact CE1-CD1 3.91Å; Y185-I212 HydrophobicContact CE1-CG1 3.76Å; Y185-I212 HydrophobicContact CE2-CG1 4.46Å; Y185-I212 HydrophobicContact CG-CB 4.48Å; Y185-I212 HydrophobicContact CG-CD1 4.04Å; Y185-I212 HydrophobicContact CG-CG1 3.8Å; Y185-I212 HydrophobicContact CG-CG2 3.98Å; Y185-Y217 HydrophobicContact CD2-CD1 4.21Å; Y185-Y217 AromaticContact CD2-CD2 3.61Å; Y185-Y217 HydrophobicContact CD2-CD2 3.61Å; Y185-Y217 HydrophobicContact CD2-CE1 4.14Å; Y185-Y217 AromaticContact CD2-CE2 3.54Å; Y185-Y217 HydrophobicContact CD2-CE2 3.54Å; Y185-Y217 AromaticContact CD2-CG 3.99Å; Y185-Y217 HydrophobicContact CD2-CG 3.99Å; Y185-Y217 AromaticContact CD2-CZ 3.84Å; Y185-Y217 HydrophobicContact CE2-CD2 4.41Å; Y185-Y217 HydrophobicContact CE2-CE2 4.06Å; Y185-Y217 HydrophobicContact CG-CD2 4.43Å; Y185-Y217 HydrophobicContact CG-CG 4.44Å; Y185-A219 PolarHBondContact N-O 2.95Å; Y185-I220 WeakPolarHBondContact O-CA 3.36Å; Y185-Q221 PolarHBondContact O-N 3.19Å; Y185-N522 CarbonylContact C-O 3.59Å; Y185-I524 HydrophobicContact CE1-CB 3.6Å; Y185-I524 HydrophobicContact CE1-CD1 4.2Å; Y185-I524 HydrophobicContact CE1-CG1 3.7Å; Y185-I524 WeakPolarHBondContact OH-CA 3.46Å; Y185-I524 WeakPolarHBondContact OH-CG1 3.24Å; Y185-E527 HydrophobicContact CE2-CG 4.41Å; Y185-E527 VanDerWaalsContact OH-CD 3.22Å; Y185-E527 PolarHBondContact OH-OE1 2.62Å; Y185-E527 PolarHBondContact OH-OE2 3.31Å
186E98.6Very high96.8Very high1 Ų127.1 Ų27.11%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-78.1124.1177.2-175.2-171.6-136.500109.8Q221 M223 R340 H465 L521 N522 F523 I524E186-Q221 HydrophobicContact CB-CB 4.31Å; E186-Q221 HydrophobicContact CG-CB 4.37Å; E186-Q221 HydrophobicContact CG-CG 4.37Å; E186-M223 HydrophobicContact CG-CG 3.95Å; E186-M223 HydrophobicContact CG-SD 3.68Å; E186-R340 IonicContact OE1-CZ 3.51Å; E186-R340 VanDerWaalsContact OE1-CZ 3.28Å; E186-R340 IonicContact OE1-NH1 3.77Å; E186-R340 PolarHBondContact OE1-NH1 3.1Å; E186-R340 IonicContact OE1-NH2 3.8Å; E186-R340 PolarHBondContact OE1-NH2 3.13Å; E186-H465 IonicContact OE1-CE1 2.81Å; E186-H465 IonicContact OE1-ND1 3.75Å; E186-H465 PolarHBondContact OE1-ND1 3.04Å; E186-H465 IonicContact OE2-ND1 2.65Å; E186-H465 PolarHBondContact OE2-ND1 2.8Å; E186-L521 HydrophobicContact CB-CD1 4.21Å; E186-L521 HydrophobicContact CB-CD2 3.99Å; E186-L521 HydrophobicContact CB-CG 4.08Å; E186-N522 PolarHBondContact N-O 2.92Å; E186-F523 HydrophobicContact CB-CD2 4.15Å; E186-F523 HydrophobicContact CG-CD2 3.9Å; E186-F523 WeakPolarHBondContact O-CD2 3.27Å; E186-F523 WeakPolarHBondContact OE2-CD2 3.45Å; E186-I524 PolarHBondContact O-N 3.46Å
187A98Very high96.7Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-141.7146.5-171.400000113Y185 F204 Q221 L222 M223 I524Y185-A187 HydrophobicContact CD1-CB 4.19Å; Y185-A187 HydrophobicContact CE1-CB 4.47Å; A187-F204 HydrophobicContact CB-CE2 3.78Å; A187-F204 HydrophobicContact CB-CZ 3.73Å; A187-Q221 PolarHBondContact N-O 2.8Å; A187-L222 HydrophobicContact CB-CD2 4.47Å; A187-M223 PolarHBondContact O-N 2.82Å; A187-I524 HydrophobicContact CB-CD1 4.39Å
188H98.1Very high96.8Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-117.8120.1169.5174.5-70.2000109.4G190 I191 M223 A224 Y231 F234 Y248H188-G190 PolarHBondContact CE1-N 2.89Å; H188-G190 PolarHBondContact ND1-N 3.15Å; H188-G190 VanDerWaalsContact ND1-N 3.12Å; H188-G190 PolarHBondContact O-N 2.88Å; H188-I191 HydrophobicContact CB-CD1 4.06Å; H188-I191 HydrophobicContact CB-CG1 3.94Å; H188-I191 PolarHBondContact ND1-N 2.83Å; H188-I191 WeakPolarHBondContact O-CG1 3.5Å; H188-I191 PolarHBondContact O-N 3.08Å; H188-M223 HydrophobicContact CB-CB 4.46Å; H188-A224 WeakPolarHBondContact CD2-CB 3.06Å; H188-Y231 AromaticContact CE1-CE2 3.58Å; H188-Y231 AromaticContact CE1-CZ 3.86Å; H188-Y231 PolarHBondContact CE1-OH 3.45Å; H188-Y231 AromaticContact NE2-CE2 3.8Å; H188-F234 HydrophobicContact CB-CE2 3.72Å; H188-F234 AromaticContact CD2-CD2 3.48Å; H188-F234 VanDerWaalsContact CD2-CD2 3.48Å; H188-F234 WeakPolarHBondContact CD2-CD2 3.49Å; H188-F234 AromaticContact CD2-CE2 3.54Å; H188-F234 AromaticContact CG-CE2 3.71Å; H188-Y248 AromaticContact CE1-CE1 3.99Å; H188-Y248 PolarHBondContact CE1-OH 3.09Å; H188-Y248 PolarHBondContact NE2-OH 3.17Å; H188-Y248 VanDerWaalsContact NE2-OH 3.11Å
189V98.5Very high96.9Very high0 Ų027.8 Ų27.80%014%0.14CC..G310 helixtrans-57.6-47.9-172.4174.90000111.7I191 S192 A199 F201 F204 L222 I225 Y248 L257V189-I191 VanDerWaalsContact C-N 3.26Å; V189-I191 PolarHBondContact O-N 3.47Å; V189-I191 VanDerWaalsContact O-N 3.15Å; V189-S192 VanDerWaalsContact O-CB 3.28Å; V189-S192 WeakPolarHBondContact O-CB 3.14Å; V189-S192 PolarHBondContact O-N 3.28Å; V189-S192 VanDerWaalsContact O-N 3.16Å; V189-S192 PolarHBondContact O-OG 3.31Å; V189-A199 WeakPolarHBondContact O-CB 3.49Å; V189-F201 HydrophobicContact CB-CD1 4.43Å; V189-F201 HydrophobicContact CB-CE1 4.49Å; V189-F201 HydrophobicContact CG1-CD1 3.88Å; V189-F201 HydrophobicContact CG1-CE1 4.33Å; V189-F201 HydrophobicContact CG2-CD1 4.01Å; V189-F201 HydrophobicContact CG2-CE1 4.06Å; V189-F204 HydrophobicContact CG1-CB 4.17Å; V189-F204 HydrophobicContact CG2-CD2 4.25Å; V189-F204 HydrophobicContact CG2-CG 4.34Å; V189-L222 HydrophobicContact CG2-CD2 4.26Å; V189-I225 HydrophobicContact CG2-CD1 4.24Å; V189-Y248 HydrophobicContact CB-CD1 4.22Å; V189-Y248 HydrophobicContact CB-CD2 4.24Å; V189-Y248 HydrophobicContact CB-CG 4.05Å; V189-Y248 HydrophobicContact CG1-CD1 4.11Å; V189-Y248 HydrophobicContact CG1-CD2 4.43Å; V189-Y248 HydrophobicContact CG1-CG 3.84Å; V189-L257 HydrophobicContact CG2-CD1 4.38Å
190G97.4Very high97Very high0 Ų028.5 Ų28.50%015%0.145CC..G310 helixtrans-65.6-18.6-172.700000116.5H188 V198 A199 Y231H188-G190 PolarHBondContact CE1-N 2.89Å; H188-G190 PolarHBondContact ND1-N 3.15Å; H188-G190 VanDerWaalsContact ND1-N 3.12Å; H188-G190 PolarHBondContact O-N 2.88Å; G190-V198 WeakPolarHBondContact O-CA 3.17Å; G190-A199 PolarHBondContact O-N 3.06Å; G190-Y231 VanDerWaalsContact C-OH 3.29Å; G190-Y231 WeakPolarHBondContact CA-OH 3.44Å; G190-Y231 PolarHBondContact O-OH 3.36Å
191I96.8Very high97.2Very high0 Ų021.2 Ų21.20%012%0.118CC..G310 helixtrans-104.80.6-178.968.3172.4000111.9H188 V189 S193 F234 F523 I524 L534 F536 C548 K549 R550H188-I191 HydrophobicContact CB-CD1 4.06Å; H188-I191 HydrophobicContact CB-CG1 3.94Å; H188-I191 PolarHBondContact ND1-N 2.83Å; H188-I191 WeakPolarHBondContact O-CG1 3.5Å; H188-I191 PolarHBondContact O-N 3.08Å; V189-I191 VanDerWaalsContact C-N 3.26Å; V189-I191 PolarHBondContact O-N 3.47Å; V189-I191 VanDerWaalsContact O-N 3.15Å; I191-S193 PolarHBondContact O-N 2.76Å; I191-F234 HydrophobicContact CD1-CE2 4.47Å; I191-F523 HydrophobicContact CD1-CZ 4Å; I191-I524 HydrophobicContact CD1-CG2 4.4Å; I191-L534 HydrophobicContact CB-CD1 4.29Å; I191-L534 HydrophobicContact CD1-CD1 3.75Å; I191-L534 HydrophobicContact CD1-CD2 3.58Å; I191-L534 HydrophobicContact CD1-CG 4.34Å; I191-L534 HydrophobicContact CG2-CD1 4.09Å; I191-F536 HydrophobicContact CG2-CE1 3.92Å; I191-F536 HydrophobicContact CG2-CZ 3.91Å; I191-C548 VanDerWaalsContact CG2-SG 3.59Å; I191-K549 CarbonylContact O-C 3.37Å; I191-K549 VanDerWaalsContact O-C 3.25Å; I191-K549 WeakPolarHBondContact O-CA 3.32Å; I191-R550 WeakPolarHBondContact O-CG 3.48Å; I191-R550 PolarHBondContact O-N 3.38Å; I191-R550 VanDerWaalsContact O-N 3.15Å
192S97.7Very high97.3Very high0 Ų022.4 Ų22.40%013%0.126CC..  trans-76.3-4.7-166.667.70000114.2V189 I208 W552V189-S192 VanDerWaalsContact O-CB 3.28Å; V189-S192 WeakPolarHBondContact O-CB 3.14Å; V189-S192 PolarHBondContact O-N 3.28Å; V189-S192 VanDerWaalsContact O-N 3.16Å; V189-S192 PolarHBondContact O-OG 3.31Å; S192-I208 VanDerWaalsContact O-CD1 3.3Å; S192-I208 WeakPolarHBondContact O-CD1 3.42Å; S192-W552 PolarHBondContact O-NE1 3.49Å
193S96.9Very high97.3Very high3 Ų325 Ų252%0.02114%0.138CC..SBendtrans-98.9160.9176.683.90000112.4I191 E195 F203 K549 R550I191-S193 PolarHBondContact O-N 2.76Å; S193-E195 PolarHBondContact O-N 3.39Å; S193-E195 PolarHBondContact OG-N 2.86Å; S193-E195 PolarHBondContact OG-O 3.13Å; S193-F203 VanDerWaalsContact CB-CE1 3.49Å; S193-K549 WeakPolarHBondContact O-CB 3.4Å; S193-R550 CarbonylContact C-O 3.57Å; S193-R550 PolarHBondContact O-N 3.11Å
194S96.3Very high97.3Very high48 Ų4824.6 Ų24.634%0.33614%0.136SC..SBendtrans-74.7-7.5170.8-500000113.6R550 W552S194-R550 WeakPolarHBondContact CA-O 3.17Å; S194-R550 PolarHBondContact N-O 2.82Å; S194-R550 PolarHBondContact OG-O 3.45Å; S194-R550 VanDerWaalsContact OG-O 3.11Å; S194-W552 PolarHBondContact OG-N 3.22Å
195E94.3Very high97.3Very high98 Ų9825.1 Ų25.146%0.45814%0.139SC..SBendtrans-90.2142.9-178.9-62.3176.2150.700110S193 R197S193-E195 PolarHBondContact O-N 3.39Å; S193-E195 PolarHBondContact OG-N 2.86Å; S193-E195 PolarHBondContact OG-O 3.13Å; E195-R197 HydrophobicContact CB-CG 3.99Å; E195-R197 PolarHBondContact O-N 3.46Å; E195-R197 IonicContact OE1-NH2 2.83Å; E195-R197 IonicContact OE2-CZ 2.73Å; E195-R197 IonicContact OE2-NE 2.82Å; E195-R197 PolarHBondContact OE2-NE 3.08Å; E195-R197 IonicContact OE2-NH2 3.35Å; E195-R197 PolarHBondContact OE2-NH2 3.41Å
196G92.4Very high97.2Very high44 Ų4431.6 Ų31.645%0.45417%0.17SC..SBendtrans-75.361.6174.500000112Y545G196-Y545 VanDerWaalsContact C-CB 3.48Å; G196-Y545 WeakPolarHBondContact CA-O 3.24Å; G196-Y545 WeakPolarHBondContact O-CB 3.45Å
197R93.3Very high97.2Very high151 Ų15134.8 Ų34.857%0.5719%0.187SC*.SBendtrans-151.5166175.264.6173.2175.7170.7-4.3110.2E195 A199E195-R197 HydrophobicContact CB-CG 3.99Å; E195-R197 PolarHBondContact O-N 3.46Å; E195-R197 IonicContact OE1-NH2 2.83Å; E195-R197 IonicContact OE2-CZ 2.73Å; E195-R197 IonicContact OE2-NE 2.82Å; E195-R197 PolarHBondContact OE2-NE 3.08Å; E195-R197 IonicContact OE2-NH2 3.35Å; E195-R197 PolarHBondContact OE2-NH2 3.41Å; R197-A199 PolarHBondContact O-N 3.07Å
198V96.7Very high97.2Very high37 Ų3734.9 Ų34.922%0.22419%0.187CC..PPolyproline II helixtrans-67.9117.1173.1-171.70000110G190 Y231 R247 Y248 Y545G190-V198 WeakPolarHBondContact O-CA 3.17Å; V198-Y231 HydrophobicContact CG2-CE1 3.91Å; V198-R247 HydrophobicContact CG1-CB 4.08Å; V198-Y248 HydrophobicContact CG1-CD1 3.66Å; V198-Y248 HydrophobicContact CG1-CE1 3.87Å; V198-Y545 HydrophobicContact CG2-CE1 3.73Å
199A98Very high97.2Very high6 Ų634.9 Ų34.95%0.0519%0.187CC..PPolyproline II helixtrans-76154.7173.700000112.1V189 G190 R197 F203V189-A199 WeakPolarHBondContact O-CB 3.49Å; G190-A199 PolarHBondContact O-N 3.06Å; R197-A199 PolarHBondContact O-N 3.07Å; A199-F203 HydrophobicContact CB-CD1 4.01Å
200S98.4Very high97.2Very high42 Ų4237.1 Ų37.129%0.29420%0.202SC..PPolyproline II helixtrans-97163.6-175.666.10000113.5S202 F203 F204 Y248S200-S202 VanDerWaalsContact C-N 3.26Å; S200-S202 PolarHBondContact O-N 3.43Å; S200-F203 PolarHBondContact O-N 3.1Å; S200-F203 WeakPolarHBondContact OG-CB 3.05Å; S200-F203 PolarHBondContact OG-N 2.88Å; S200-F204 PolarHBondContact O-N 2.98Å; S200-Y248 CarbonylContact C-O 3.54Å; S200-Y248 WeakPolarHBondContact CA-O 3.12Å; S200-Y248 VanDerWaalsContact CB-O 3.23Å; S200-Y248 WeakPolarHBondContact CB-O 3.43Å
201F98.6Very high97.3Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-55.8-43.5169.3-69.2-50.6000111.4V189 F203 F204 T205 I225 Y248 E253 L254 L257V189-F201 HydrophobicContact CB-CD1 4.43Å; V189-F201 HydrophobicContact CB-CE1 4.49Å; V189-F201 HydrophobicContact CG1-CD1 3.88Å; V189-F201 HydrophobicContact CG1-CE1 4.33Å; V189-F201 HydrophobicContact CG2-CD1 4.01Å; V189-F201 HydrophobicContact CG2-CE1 4.06Å; F201-F203 PolarHBondContact O-N 2.87Å; F201-F204 PolarHBondContact O-N 3.42Å; F201-T205 WeakPolarHBondContact O-CB 3.26Å; F201-T205 PolarHBondContact O-N 2.87Å; F201-T205 PolarHBondContact O-OG1 3.17Å; F201-I225 HydrophobicContact CE1-CD1 3.85Å; F201-I225 HydrophobicContact CZ-CD1 4.43Å; F201-Y248 AromaticContact CE1-CD2 3.71Å; F201-Y248 HydrophobicContact CE1-CD2 3.71Å; F201-Y248 HydrophobicContact CE1-CG 4.16Å; F201-Y248 HydrophobicContact CE2-CD2 4.36Å; F201-Y248 AromaticContact CZ-CD2 3.61Å; F201-Y248 HydrophobicContact CZ-CD2 3.61Å; F201-Y248 HydrophobicContact CZ-CG 4.17Å; F201-Y248 PolarHBondContact N-O 3.1Å; F201-E253 HydrophobicContact CB-CB 3.9Å; F201-E253 HydrophobicContact CD2-CB 4.17Å; F201-E253 HydrophobicContact CG-CB 4.5Å; F201-L254 HydrophobicContact CD1-CB 4.49Å; F201-L254 HydrophobicContact CD1-CD1 4.15Å; F201-L254 HydrophobicContact CD2-CB 4.15Å; F201-L254 HydrophobicContact CE1-CB 4.31Å; F201-L254 HydrophobicContact CE1-CD1 3.79Å; F201-L254 HydrophobicContact CE1-CG 4.5Å; F201-L254 HydrophobicContact CE2-CB 3.93Å; F201-L254 HydrophobicContact CG-CB 4.42Å; F201-L254 HydrophobicContact CZ-CB 4Å; F201-L254 HydrophobicContact CZ-CD1 4.17Å; F201-L254 HydrophobicContact CZ-CD2 4.39Å; F201-L254 HydrophobicContact CZ-CG 4.41Å; F201-L257 HydrophobicContact CB-CD1 4.26Å; F201-L257 HydrophobicContact CD1-CD1 3.79Å; F201-L257 HydrophobicContact CG-CD1 4.47Å
202S98.3Very high97.3Very high27 Ų2740.7 Ų40.719%0.18922%0.215CC..Hα-helixtrans-61.9-43177.8-60.30000111.5S200 F204 T205 E206 E253S200-S202 VanDerWaalsContact C-N 3.26Å; S200-S202 PolarHBondContact O-N 3.43Å; S202-F204 PolarHBondContact O-N 2.88Å; S202-T205 WeakPolarHBondContact O-CB 3.32Å; S202-T205 PolarHBondContact O-N 3.13Å; S202-E206 WeakPolarHBondContact O-CG 2.99Å; S202-E206 PolarHBondContact O-N 3.41Å; S202-E253 PolarHBondContact OG-OE1 3.44Å
203F98.4Very high97.4Very high57 Ų5743 Ų4325%0.2523%0.229CC..Hα-helixtrans-60.8-47.1174.3178-89.1000112S193 A199 S200 F201 T205 E206 N207 I208S193-F203 VanDerWaalsContact CB-CE1 3.49Å; A199-F203 HydrophobicContact CB-CD1 4.01Å; S200-F203 PolarHBondContact O-N 3.1Å; S200-F203 WeakPolarHBondContact OG-CB 3.05Å; S200-F203 PolarHBondContact OG-N 2.88Å; F201-F203 PolarHBondContact O-N 2.87Å; F203-T205 VanDerWaalsContact C-N 3.3Å; F203-T205 PolarHBondContact O-N 3.39Å; F203-E206 PolarHBondContact O-N 3.14Å; F203-N207 WeakPolarHBondContact CD2-ND2 3.44Å; F203-N207 HydrophobicContact CE1-CB 4.26Å; F203-N207 HydrophobicContact CE2-CB 4.21Å; F203-N207 HydrophobicContact CZ-CB 4.04Å; F203-N207 WeakPolarHBondContact O-CB 3.49Å; F203-N207 PolarHBondContact O-N 3.33Å; F203-N207 PolarHBondContact O-ND2 2.78Å; F203-I208 HydrophobicContact CD1-CG1 4.4Å; F203-I208 HydrophobicContact CE1-CD1 4.04Å; F203-I208 HydrophobicContact CE1-CG1 4.07Å
204F98.7Very high97.4Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-60.1-42.9178.2-169.3-82.8000111.5A187 V189 S200 F201 S202 I208 I209 I212 I220 L222 L257A187-F204 HydrophobicContact CB-CE2 3.78Å; A187-F204 HydrophobicContact CB-CZ 3.73Å; V189-F204 HydrophobicContact CG1-CB 4.17Å; V189-F204 HydrophobicContact CG2-CD2 4.25Å; V189-F204 HydrophobicContact CG2-CG 4.34Å; S200-F204 PolarHBondContact O-N 2.98Å; F201-F204 PolarHBondContact O-N 3.42Å; S202-F204 PolarHBondContact O-N 2.88Å; F204-I208 HydrophobicContact CD1-CB 4.31Å; F204-I208 HydrophobicContact CD2-CB 3.82Å; F204-I208 HydrophobicContact CD2-CG1 4Å; F204-I208 HydrophobicContact CD2-CG2 3.89Å; F204-I208 HydrophobicContact CE1-CB 4.44Å; F204-I208 HydrophobicContact CE1-CG2 4.33Å; F204-I208 HydrophobicContact CE2-CB 3.96Å; F204-I208 HydrophobicContact CE2-CG1 4.47Å; F204-I208 HydrophobicContact CE2-CG2 3.5Å; F204-I208 HydrophobicContact CG-CB 4Å; F204-I208 HydrophobicContact CG-CG1 4.34Å; F204-I208 HydrophobicContact CG-CG2 4.45Å; F204-I208 HydrophobicContact CZ-CB 4.27Å; F204-I208 HydrophobicContact CZ-CG2 3.75Å; F204-I208 WeakPolarHBondContact O-CA 2.93Å; F204-I208 WeakPolarHBondContact O-CB 3.44Å; F204-I208 PolarHBondContact O-N 3.05Å; F204-I209 HydrophobicContact CD1-CG1 4.01Å; F204-I209 HydrophobicContact CE1-CG1 3.94Å; F204-I209 PolarHBondContact O-N 3.25Å; F204-I212 HydrophobicContact CE1-CD1 4.31Å; F204-I212 HydrophobicContact CZ-CD1 3.9Å; F204-I220 HydrophobicContact CE1-CD1 4.47Å; F204-L222 HydrophobicContact CE1-CD2 4.26Å; F204-L222 HydrophobicContact CZ-CD2 4.13Å; F204-L257 HydrophobicContact CB-CD1 4.14Å; F204-L257 HydrophobicContact CD1-CD1 3.71Å; F204-L257 HydrophobicContact CD1-CD2 4.36Å; F204-L257 HydrophobicContact CD1-CG 4.09Å; F204-L257 HydrophobicContact CG-CD1 4.18Å
205T98.6Very high97.5Very high10 Ų1046.7 Ų46.76%0.06124%0.239CC..Hα-helixtrans-60.5-47.7179.3-56.80000111.9F201 S202 F203 I209 L256 L257 V260F201-T205 WeakPolarHBondContact O-CB 3.26Å; F201-T205 PolarHBondContact O-N 2.87Å; F201-T205 PolarHBondContact O-OG1 3.17Å; S202-T205 WeakPolarHBondContact O-CB 3.32Å; S202-T205 PolarHBondContact O-N 3.13Å; F203-T205 VanDerWaalsContact C-N 3.3Å; F203-T205 PolarHBondContact O-N 3.39Å; T205-I209 HydrophobicContact CG2-CD1 4.4Å; T205-L256 HydrophobicContact CG2-CG 4.49Å; T205-L257 VanDerWaalsContact OG1-CA 3.27Å; T205-L257 WeakPolarHBondContact OG1-CA 3.23Å; T205-L257 VanDerWaalsContact OG1-CB 3.26Å; T205-L257 WeakPolarHBondContact OG1-CB 3.48Å; T205-L257 WeakPolarHBondContact OG1-CG 3.43Å; T205-V260 HydrophobicContact CG2-CB 3.72Å; T205-V260 HydrophobicContact CG2-CG1 3.85Å; T205-V260 HydrophobicContact CG2-CG2 3.66Å
206E98.2Very high97.7Very high140 Ų14042.9 Ų42.965%0.65423%0.226SC*.Hα-helixtrans-79.5-34.8-174.4-69.3173.5-175.800112.9S202 F203 P210S202-E206 WeakPolarHBondContact O-CG 2.99Å; S202-E206 PolarHBondContact O-N 3.41Å; F203-E206 PolarHBondContact O-N 3.14Å; E206-P210 WeakPolarHBondContact O-CG 3.5Å
207N98Very high98Very high68 Ų6841.2 Ų41.236%0.36421%0.206SC..Hα-helixtrans-113.3-26-166.1-59-80.9000114.3F203 R211F203-N207 WeakPolarHBondContact CD2-ND2 3.44Å; F203-N207 HydrophobicContact CE1-CB 4.26Å; F203-N207 HydrophobicContact CE2-CB 4.21Å; F203-N207 HydrophobicContact CZ-CB 4.04Å; F203-N207 WeakPolarHBondContact O-CB 3.49Å; F203-N207 PolarHBondContact O-N 3.33Å; F203-N207 PolarHBondContact O-ND2 2.78Å; N207-R211 VanDerWaalsContact O-CD 3.28Å; N207-R211 WeakPolarHBondContact O-CD 2.99Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-NE 3.39Å
208I98.4Very high98.2Very high1 Ų134.9 Ų34.91%0.00518%0.183CC..THydrogen-bonded Turntrans-105.8-43.5-171.1-51.6-60.7000111.2S192 F203 F204 R211 I212 I524 W552S192-I208 VanDerWaalsContact O-CD1 3.3Å; S192-I208 WeakPolarHBondContact O-CD1 3.42Å; F203-I208 HydrophobicContact CD1-CG1 4.4Å; F203-I208 HydrophobicContact CE1-CD1 4.04Å; F203-I208 HydrophobicContact CE1-CG1 4.07Å; F204-I208 HydrophobicContact CD1-CB 4.31Å; F204-I208 HydrophobicContact CD2-CB 3.82Å; F204-I208 HydrophobicContact CD2-CG1 4Å; F204-I208 HydrophobicContact CD2-CG2 3.89Å; F204-I208 HydrophobicContact CE1-CB 4.44Å; F204-I208 HydrophobicContact CE1-CG2 4.33Å; F204-I208 HydrophobicContact CE2-CB 3.96Å; F204-I208 HydrophobicContact CE2-CG1 4.47Å; F204-I208 HydrophobicContact CE2-CG2 3.5Å; F204-I208 HydrophobicContact CG-CB 4Å; F204-I208 HydrophobicContact CG-CG1 4.34Å; F204-I208 HydrophobicContact CG-CG2 4.45Å; F204-I208 HydrophobicContact CZ-CB 4.27Å; F204-I208 HydrophobicContact CZ-CG2 3.75Å; F204-I208 WeakPolarHBondContact O-CA 2.93Å; F204-I208 WeakPolarHBondContact O-CB 3.44Å; F204-I208 PolarHBondContact O-N 3.05Å; I208-R211 WeakPolarHBondContact O-CA 3.35Å; I208-R211 WeakPolarHBondContact O-CB 3.35Å; I208-R211 PolarHBondContact O-N 3.19Å; I208-I212 HydrophobicContact CG2-CD1 4.01Å; I208-I212 HydrophobicContact CG2-CG1 4.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.33Å; I208-I212 PolarHBondContact O-N 3.2Å; I208-I524 HydrophobicContact CG2-CD1 4.27Å; I208-W552 HydrophobicContact CD1-CZ2 3.7Å
209I98.6Very high98.3Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-51-49.3174.2-73.1179.5000111.9F204 T205 R211 I212 V213 I220 L257 V260 A261 Y264 M266F204-I209 HydrophobicContact CD1-CG1 4.01Å; F204-I209 HydrophobicContact CE1-CG1 3.94Å; F204-I209 PolarHBondContact O-N 3.25Å; T205-I209 HydrophobicContact CG2-CD1 4.4Å; I209-R211 PolarHBondContact O-N 3.36Å; I209-I212 PolarHBondContact O-N 3.25Å; I209-I212 VanDerWaalsContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 4.31Å; I209-V213 VanDerWaalsContact O-CG2 3.32Å; I209-V213 WeakPolarHBondContact O-CG2 3.21Å; I209-V213 PolarHBondContact O-N 2.85Å; I209-I220 HydrophobicContact CG1-CD1 4.29Å; I209-L257 HydrophobicContact CD1-CD2 4.18Å; I209-L257 HydrophobicContact CD1-CG 4.16Å; I209-L257 WeakPolarHBondContact CD1-O 3.47Å; I209-V260 HydrophobicContact CD1-CB 4.35Å; I209-V260 HydrophobicContact CD1-CG1 4.14Å; I209-V260 HydrophobicContact CG2-CG1 4.22Å; I209-A261 HydrophobicContact CD1-CB 4.08Å; I209-Y264 HydrophobicContact CG2-CD2 3.52Å; I209-Y264 HydrophobicContact CG2-CE2 3.68Å; I209-M266 HydrophobicContact CG2-CE 3.7Å
210P98.1Very high98.3Very high48 Ų4832.8 Ų32.831%0.31217%0.17SC..Hα-helixtrans-60.7-31.3178-2636.6000113.9E206 K214E206-P210 WeakPolarHBondContact O-CG 3.5Å; P210-K214 WeakPolarHBondContact O-CB 3.46Å; P210-K214 PolarHBondContact O-N 3.17Å
211R98.1Very high98.4Very high75 Ų7530.8 Ų30.828%0.28316%0.156SC..Hα-helixtrans-69.2-44.4176.3-66.1175.6179.7-89.21.9110.9N207 I208 I209 K214 Q215 D556N207-R211 VanDerWaalsContact O-CD 3.28Å; N207-R211 WeakPolarHBondContact O-CD 2.99Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-NE 3.39Å; I208-R211 WeakPolarHBondContact O-CA 3.35Å; I208-R211 WeakPolarHBondContact O-CB 3.35Å; I208-R211 PolarHBondContact O-N 3.19Å; I209-R211 PolarHBondContact O-N 3.36Å; R211-K214 PolarHBondContact O-N 2.87Å; R211-Q215 WeakPolarHBondContact O-CG 3.07Å; R211-Q215 PolarHBondContact O-N 3.46Å; R211-Q215 VanDerWaalsContact O-N 3.13Å; R211-D556 IonicContact CZ-OD1 2.78Å; R211-D556 IonicContact CZ-OD2 2.65Å; R211-D556 IonicContact NH1-OD1 3.27Å; R211-D556 PolarHBondContact NH1-OD1 2.94Å; R211-D556 IonicContact NH1-OD2 3.7Å; R211-D556 PolarHBondContact NH1-OD2 3.16Å; R211-D556 IonicContact NH2-OD1 2.71Å; R211-D556 IonicContact NH2-OD2 3.02Å; R211-D556 PolarHBondContact NH2-OD2 2.97Å
212I98.5Very high98.4Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-60.5-47.1177.4-62.6171.8000110.4Y185 F204 I208 I209 K214 Q215 Y217 I220 M266Y185-I212 HydrophobicContact CD1-CD1 3.48Å; Y185-I212 VanDerWaalsContact CD1-CD1 3.48Å; Y185-I212 HydrophobicContact CD1-CG1 3.56Å; Y185-I212 HydrophobicContact CD1-CG2 4.5Å; Y185-I212 HydrophobicContact CD2-CG1 4.27Å; Y185-I212 HydrophobicContact CD2-CG2 4.42Å; Y185-I212 HydrophobicContact CE1-CD1 3.91Å; Y185-I212 HydrophobicContact CE1-CG1 3.76Å; Y185-I212 HydrophobicContact CE2-CG1 4.46Å; Y185-I212 HydrophobicContact CG-CB 4.48Å; Y185-I212 HydrophobicContact CG-CD1 4.04Å; Y185-I212 HydrophobicContact CG-CG1 3.8Å; Y185-I212 HydrophobicContact CG-CG2 3.98Å; F204-I212 HydrophobicContact CE1-CD1 4.31Å; F204-I212 HydrophobicContact CZ-CD1 3.9Å; I208-I212 HydrophobicContact CG2-CD1 4.01Å; I208-I212 HydrophobicContact CG2-CG1 4.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.33Å; I208-I212 PolarHBondContact O-N 3.2Å; I209-I212 PolarHBondContact O-N 3.25Å; I209-I212 VanDerWaalsContact O-N 3.16Å; I212-K214 PolarHBondContact O-N 3.16Å; I212-Q215 PolarHBondContact O-N 3.33Å; I212-Q215 VanDerWaalsContact O-N 3.09Å; I212-Y217 HydrophobicContact CG2-CD2 4.46Å; I212-Y217 HydrophobicContact CG2-CG 4.36Å; I212-I220 HydrophobicContact CD1-CD1 3.77Å; I212-I220 HydrophobicContact CD1-CG1 4.07Å; I212-I220 HydrophobicContact CG2-CD1 4.46Å; I212-I220 HydrophobicContact CG2-CG1 4.16Å; I212-M266 HydrophobicContact CG2-SD 3.89Å
213V98.2Very high98.4Very high47 Ų4729.5 Ų29.529%0.28515%0.147SC..Hα-helixtrans-59.6-45.8177.21750000110.9I209 Q215 G216 Y264 M266I209-V213 HydrophobicContact CG2-CG2 4.31Å; I209-V213 VanDerWaalsContact O-CG2 3.32Å; I209-V213 WeakPolarHBondContact O-CG2 3.21Å; I209-V213 PolarHBondContact O-N 2.85Å; V213-Q215 PolarHBondContact O-N 3.03Å; V213-G216 PolarHBondContact O-N 3.13Å; V213-G216 VanDerWaalsContact O-N 3.08Å; V213-Y264 HydrophobicContact CB-CD1 4.47Å; V213-Y264 HydrophobicContact CG1-CD1 3.98Å; V213-Y264 HydrophobicContact CG1-CG 4.42Å; V213-Y264 HydrophobicContact CG2-CD1 3.96Å; V213-Y264 HydrophobicContact CG2-CD2 4.07Å; V213-Y264 HydrophobicContact CG2-CG 3.62Å; V213-M266 HydrophobicContact CG2-CE 3.53Å; V213-M266 HydrophobicContact CG2-CG 4.29Å; V213-M266 HydrophobicContact CG2-SD 3.53Å; V213-M266 VanDerWaalsContact CG2-SD 3.53Å
214K97.8Very high98.3Very high123 Ų12326.9 Ų26.954%0.53514%0.136SC..Hα-helixtrans-58.8-29.6177.4-178-176.8173.1-168.40112.4P210 R211 I212 G216 R570P210-K214 WeakPolarHBondContact O-CB 3.46Å; P210-K214 PolarHBondContact O-N 3.17Å; R211-K214 PolarHBondContact O-N 2.87Å; I212-K214 PolarHBondContact O-N 3.16Å; K214-G216 VanDerWaalsContact C-N 3.32Å; K214-R570 WeakPolarHBondContact O-CD 3.16Å; K214-R570 VanDerWaalsContact O-CG 3.31Å; K214-R570 WeakPolarHBondContact O-CG 3.15Å
215Q98.1Very high98.3Very high7 Ų726.9 Ų26.93%0.03314%0.136CC..THydrogen-bonded Turntrans-82.6-3.4179.9-71.1-59-18.600114.4R211 I212 V213 Y217 N566 R570 N573R211-Q215 WeakPolarHBondContact O-CG 3.07Å; R211-Q215 PolarHBondContact O-N 3.46Å; R211-Q215 VanDerWaalsContact O-N 3.13Å; I212-Q215 PolarHBondContact O-N 3.33Å; I212-Q215 VanDerWaalsContact O-N 3.09Å; V213-Q215 PolarHBondContact O-N 3.03Å; Q215-Y217 HydrophobicContact CB-CD2 3.53Å; Q215-Y217 HydrophobicContact CB-CE2 3.6Å; Q215-Y217 HydrophobicContact CG-CE2 4.47Å; Q215-N566 PolarHBondContact NE2-ND2 3.43Å; Q215-N566 PolarHBondContact NE2-OD1 3.43Å; Q215-N566 PolarHBondContact OE1-O 3.42Å; Q215-R570 VanDerWaalsContact OE1-CB 3.31Å; Q215-R570 VanDerWaalsContact OE1-N 3.12Å; Q215-N573 VanDerWaalsContact O-CB 3.29Å; Q215-N573 WeakPolarHBondContact O-CB 3.48Å; Q215-N573 PolarHBondContact O-ND2 2.87Å
216G98Very high98.3Very high18 Ų1826.5 Ų26.519%0.18613%0.134CC..THydrogen-bonded Turntrans82.69.7176.300000115.1R183 V213 K214R183-G216 PolarHBondContact NE-O 3.26Å; R183-G216 PolarHBondContact NH2-O 3.39Å; R183-G216 VanDerWaalsContact NH2-O 3.16Å; V213-G216 PolarHBondContact O-N 3.13Å; V213-G216 VanDerWaalsContact O-N 3.08Å; K214-G216 VanDerWaalsContact C-N 3.32Å
217Y98.6Very high98.3Very high8 Ų819.8 Ų19.83%0.03110%0.102CC..  trans-68.4146.4169.8-67.6-88000110.5R183 Y185 I212 Q215 W520 N522 D569 N573R183-Y217 HydrophobicContact CB-CD1 4.24Å; R183-Y217 WeakPolarHBondContact O-CD1 3.33Å; Y185-Y217 HydrophobicContact CD2-CD1 4.21Å; Y185-Y217 AromaticContact CD2-CD2 3.61Å; Y185-Y217 HydrophobicContact CD2-CD2 3.61Å; Y185-Y217 HydrophobicContact CD2-CE1 4.14Å; Y185-Y217 AromaticContact CD2-CE2 3.54Å; Y185-Y217 HydrophobicContact CD2-CE2 3.54Å; Y185-Y217 AromaticContact CD2-CG 3.99Å; Y185-Y217 HydrophobicContact CD2-CG 3.99Å; Y185-Y217 AromaticContact CD2-CZ 3.84Å; Y185-Y217 HydrophobicContact CE2-CD2 4.41Å; Y185-Y217 HydrophobicContact CE2-CE2 4.06Å; Y185-Y217 HydrophobicContact CG-CD2 4.43Å; Y185-Y217 HydrophobicContact CG-CG 4.44Å; I212-Y217 HydrophobicContact CG2-CD2 4.46Å; I212-Y217 HydrophobicContact CG2-CG 4.36Å; Q215-Y217 HydrophobicContact CB-CD2 3.53Å; Q215-Y217 HydrophobicContact CB-CE2 3.6Å; Q215-Y217 HydrophobicContact CG-CE2 4.47Å; Y217-W520 AromaticContact CE1-CD1 3.92Å; Y217-W520 AromaticContact CE1-NE1 3.92Å; Y217-N522 HydrophobicContact CE1-CB 3.83Å; Y217-N522 WeakPolarHBondContact OH-CB 3.45Å; Y217-D569 WeakPolarHBondContact CE2-OD2 3.23Å; Y217-D569 VanDerWaalsContact CZ-OD2 3.28Å; Y217-D569 PolarHBondContact OH-OD1 3.4Å; Y217-D569 PolarHBondContact OH-OD2 3.45Å; Y217-N573 WeakPolarHBondContact CE2-ND2 3.24Å
218N98.4Very high98.3Very high18 Ų1816.6 Ų16.610%0.0969%0.085CC..  trans-118.6-2.6-179.165.215.2000113.3S181 R183 M266 I267S181-N218 PolarHBondContact O-ND2 2.76Å; R183-N218 PolarHBondContact N-OD1 3.43Å; R183-N218 PolarHBondContact NH1-ND2 2.99Å; R183-N218 PolarHBondContact NH2-ND2 3.47Å; R183-N218 PolarHBondContact O-N 2.89Å; R183-N218 PolarHBondContact O-OD1 3.32Å; N218-M266 WeakPolarHBondContact O-CA 3.33Å; N218-I267 PolarHBondContact O-N 3.27Å
219A98.7Very high98.2Very high0 Ų017.5 Ų17.50%09%0.093CC..EExtended strand (participates in β ladder)trans-139.7144.8177.700000110.7L182 R183 I184 Y185 I267L182-A219 HydrophobicContact CD2-CB 4.37Å; R183-A219 PolarHBondContact O-N 3.04Å; R183-A219 VanDerWaalsContact O-N 3.12Å; I184-A219 CarbonylContact C-O 3.58Å; I184-A219 WeakPolarHBondContact CA-O 3.38Å; I184-A219 HydrophobicContact CB-CB 4.46Å; I184-A219 HydrophobicContact CG1-CB 3.99Å; Y185-A219 PolarHBondContact N-O 2.95Å; A219-I267 CarbonylContact C-O 3.47Å; A219-I267 VanDerWaalsContact CA-O 3.28Å; A219-I267 WeakPolarHBondContact CA-O 3.23Å; A219-I267 HydrophobicContact CB-CD1 3.97Å; A219-I267 HydrophobicContact CB-CG1 3.5Å; A219-I267 VanDerWaalsContact CB-CG1 3.5Å
220I98.7Very high97.9Very high0 Ų023.2 Ų23.20%012%0.115CC..EExtended strand (participates in β ladder)trans-114.4126170-58.6178.2000108.2Y185 F204 I209 I212 L222 A261 M266 I267 V268 L269Y185-I220 WeakPolarHBondContact O-CA 3.36Å; F204-I220 HydrophobicContact CE1-CD1 4.47Å; I209-I220 HydrophobicContact CG1-CD1 4.29Å; I212-I220 HydrophobicContact CD1-CD1 3.77Å; I212-I220 HydrophobicContact CD1-CG1 4.07Å; I212-I220 HydrophobicContact CG2-CD1 4.46Å; I212-I220 HydrophobicContact CG2-CG1 4.16Å; I220-L222 HydrophobicContact CG2-CD2 3.65Å; I220-L222 HydrophobicContact CG2-CG 3.83Å; I220-A261 HydrophobicContact CD1-CB 4.4Å; I220-M266 HydrophobicContact CD1-CE 3.58Å; I220-M266 HydrophobicContact CD1-SD 4.21Å; I220-M266 HydrophobicContact CG1-CE 4.27Å; I220-M266 HydrophobicContact CG1-SD 4.27Å; I220-I267 PolarHBondContact N-O 3.38Å; I220-V268 HydrophobicContact CB-CG1 4.49Å; I220-L269 PolarHBondContact O-N 3.36Å
221Q98.8Very high97.8Very high0 Ų021.5 Ų21.50%010%0.103CC..EExtended strand (participates in β ladder)trans-94.3109.9166.8-177.569.153.500108.2I184 Y185 E186 A187 L270 D271I184-Q221 HydrophobicContact CG2-CB 3.51Å; Y185-Q221 PolarHBondContact O-N 3.19Å; E186-Q221 HydrophobicContact CB-CB 4.31Å; E186-Q221 HydrophobicContact CG-CB 4.37Å; E186-Q221 HydrophobicContact CG-CG 4.37Å; A187-Q221 PolarHBondContact N-O 2.8Å; Q221-L270 PolarHBondContact NE2-O 2.92Å; Q221-D271 WeakPolarHBondContact CG-OD1 3.32Å; Q221-D271 PolarHBondContact NE2-OD1 3.39Å
222L98.5Very high97.5Very high0 Ų019.1 Ų19.10%010%0.099CC..EExtended strand (participates in β ladder)trans-93.7110.6-180-73.6-177.2000111.2A187 V189 F204 I220 I225 L257 V268 L269 D271 F336A187-L222 HydrophobicContact CB-CD2 4.47Å; V189-L222 HydrophobicContact CG2-CD2 4.26Å; F204-L222 HydrophobicContact CE1-CD2 4.26Å; F204-L222 HydrophobicContact CZ-CD2 4.13Å; I220-L222 HydrophobicContact CG2-CD2 3.65Å; I220-L222 HydrophobicContact CG2-CG 3.83Å; L222-I225 HydrophobicContact CB-CD1 4.12Å; L222-I225 HydrophobicContact CB-CG1 3.78Å; L222-I225 HydrophobicContact CD1-CD1 4.34Å; L222-L257 HydrophobicContact CD1-CD2 3.81Å; L222-V268 HydrophobicContact CD1-CG1 3.59Å; L222-V268 HydrophobicContact CG-CG1 3.89Å; L222-L269 PolarHBondContact N-O 2.86Å; L222-D271 PolarHBondContact O-N 2.86Å; L222-D271 VanDerWaalsContact O-N 3.13Å; L222-F336 HydrophobicContact CB-CE1 4.43Å; L222-F336 HydrophobicContact CD1-CE1 4.12Å; L222-F336 HydrophobicContact CD1-CZ 4.45Å
223M98.3Very high97.3Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-82.3159.5174.8-52.6-176.575.400111.8E186 A187 H188 I225 D271 H465 F523E186-M223 HydrophobicContact CG-CG 3.95Å; E186-M223 HydrophobicContact CG-SD 3.68Å; A187-M223 PolarHBondContact O-N 2.82Å; H188-M223 HydrophobicContact CB-CB 4.46Å; M223-I225 PolarHBondContact O-N 3.41Å; M223-I225 VanDerWaalsContact O-N 3.12Å; M223-D271 WeakPolarHBondContact CA-OD2 3.33Å; M223-D271 WeakPolarHBondContact CB-OD2 3.31Å; M223-D271 VanDerWaalsContact CG-OD2 3.27Å; M223-D271 WeakPolarHBondContact CG-OD2 3.35Å; M223-H465 HydrophobicContact CE-CB 4.29Å; M223-H465 WeakPolarHBondContact CE-ND1 3.34Å; M223-H465 HydrophobicContact SD-CB 4.2Å; M223-F523 HydrophobicContact SD-CE2 4.1Å
224A97.7Very high97.1Very high2 Ų217.9 Ų17.92%0.0179%0.091CC..SBendtrans57.925.4168.600000115.8H188 H228 F234 Y248H188-A224 WeakPolarHBondContact CD2-CB 3.06Å; A224-H228 PolarHBondContact O-CE1 2.87Å; A224-F234 WeakPolarHBondContact CB-O 3.29Å; A224-Y248 WeakPolarHBondContact CB-OH 3.17Å; A224-Y248 WeakPolarHBondContact O-CE2 3.35Å; A224-Y248 PolarHBondContact O-OH 2.71Å
225I98.7Very high97Very high0 Ų012.1 Ų12.10%07%0.067CC..  trans-78.5-39.3179.1-57.9-60000111.6V189 F201 L222 M223 E227 P244 S245 L254 L270 W330 F336V189-I225 HydrophobicContact CG2-CD1 4.24Å; F201-I225 HydrophobicContact CE1-CD1 3.85Å; F201-I225 HydrophobicContact CZ-CD1 4.43Å; L222-I225 HydrophobicContact CB-CD1 4.12Å; L222-I225 HydrophobicContact CB-CG1 3.78Å; L222-I225 HydrophobicContact CD1-CD1 4.34Å; M223-I225 PolarHBondContact O-N 3.41Å; M223-I225 VanDerWaalsContact O-N 3.12Å; I225-E227 PolarHBondContact O-N 2.99Å; I225-P244 CarbonylContact O-C 3.51Å; I225-P244 WeakPolarHBondContact O-CA 3.28Å; I225-S245 PolarHBondContact O-N 2.88Å; I225-L254 HydrophobicContact CD1-CD1 4.43Å; I225-L254 HydrophobicContact CG2-CD2 3.58Å; I225-L270 HydrophobicContact CB-CD1 3.51Å; I225-L270 HydrophobicContact CG1-CD1 3.91Å; I225-L270 HydrophobicContact CG2-CD1 4.03Å; I225-W330 HydrophobicContact CG2-CH2 4.13Å; I225-W330 HydrophobicContact CG2-CZ3 4.06Å; I225-F336 HydrophobicContact CG2-CZ 4.3Å
226M98.6Very high96.9Very high1 Ų114 Ų141%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-63.4131.2172.6-62.8175.480.600108.8H228 V238 F241 I273 W330M226-H228 PolarHBondContact O-N 3.16Å; M226-H228 PolarHBondContact O-ND1 3.47Å; M226-V238 HydrophobicContact CB-CG1 4.01Å; M226-V238 HydrophobicContact CB-CG2 3.83Å; M226-V238 HydrophobicContact CE-CG1 4.23Å; M226-F241 HydrophobicContact CE-CB 3.91Å; M226-F241 HydrophobicContact CE-CD1 3.42Å; M226-F241 VanDerWaalsContact CE-CD1 3.42Å; M226-F241 HydrophobicContact CE-CE1 4.2Å; M226-F241 HydrophobicContact CE-CG 4.03Å; M226-F241 WeakPolarHBondContact CE-O 3.39Å; M226-I273 HydrophobicContact SD-CD1 4.27Å; M226-W330 HydrophobicContact CG-CZ2 3.88Å
227E98.6Very high96.8Very high0 Ų014.7 Ų14.70%07%0.072CC..EExtended strand (participates in β ladder)trans-61.5134.8-172.6-177.274.5-8500112V149 Y158 I225 V238 T239 S240 A243 S245 S246 R247V149-E227 HydrophobicContact CG2-CB 4.33Å; V149-E227 HydrophobicContact CG2-CG 3.48Å; V149-E227 VanDerWaalsContact CG2-CG 3.48Å; Y158-E227 HydrophobicContact CE1-CG 4.44Å; I225-E227 PolarHBondContact O-N 2.99Å; E227-V238 WeakPolarHBondContact O-CA 3.24Å; E227-T239 PolarHBondContact O-N 2.87Å; E227-T239 PolarHBondContact O-OG1 3.46Å; E227-S240 PolarHBondContact O-N 3.01Å; E227-A243 HydrophobicContact CB-CB 3.92Å; E227-A243 WeakPolarHBondContact CB-O 3.33Å; E227-A243 PolarHBondContact N-O 3.03Å; E227-S245 VanDerWaalsContact OE1-CA 3.31Å; E227-S245 WeakPolarHBondContact OE1-CA 3.48Å; E227-S245 PolarHBondContact OE1-OG 2.61Å; E227-S246 WeakPolarHBondContact OE2-CB 3.39Å; E227-S246 PolarHBondContact OE2-N 3.16Å; E227-R247 IonicContact OE1-NH1 3.59Å
228H97.4Very high96.8Very high0 Ų014.3 Ų14.30%07%0.071CC..EExtended strand (participates in β ladder)trans-142.2119.7-174.952.5-78000109.3A224 M226 Y230 Q237 R247 Y248A224-H228 PolarHBondContact O-CE1 2.87Å; M226-H228 PolarHBondContact O-N 3.16Å; M226-H228 PolarHBondContact O-ND1 3.47Å; H228-Y230 VanDerWaalsContact C-N 3.31Å; H228-Y230 PolarHBondContact O-N 3.07Å; H228-Q237 WeakPolarHBondContact CA-O 3.21Å; H228-Q237 VanDerWaalsContact CB-O 3.23Å; H228-Q237 WeakPolarHBondContact CB-O 3.46Å; H228-R247 PolarHBondContact O-NH1 3.22Å; H228-R247 PolarHBondContact O-NH2 3.4Å; H228-Y248 PolarHBondContact CE1-OH 3.12Å
229A95.3Very high96.8Very high20 Ų2013.7 Ų13.717%0.1657%0.068CC..SBendtrans-67.8-29.3-174.800000113.2Y158 T239 R247Y158-A229 HydrophobicContact CD2-CB 4.09Å; Y158-A229 HydrophobicContact CE2-CB 3.9Å; A229-T239 HydrophobicContact CB-CG2 3.8Å; A229-R247 PolarHBondContact O-NH2 3.36Å
230Y93.5Very high96.7Very high121 Ų12114 Ų1448%0.4757%0.07SC..  trans-96.7103.4178.5-177.4-134.5000111.2H228 A232 S233H228-Y230 VanDerWaalsContact C-N 3.31Å; H228-Y230 PolarHBondContact O-N 3.07Å; Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 HydrophobicContact CD2-CB 4.48Å; Y230-A232 HydrophobicContact CE1-CB 4Å; Y230-A232 HydrophobicContact CE2-CB 3.81Å; Y230-A232 PolarHBondContact O-N 3.26Å; Y230-S233 VanDerWaalsContact O-CB 3.24Å; Y230-S233 WeakPolarHBondContact O-CB 3.35Å; Y230-S233 PolarHBondContact O-N 3.12Å; Y230-S233 PolarHBondContact O-OG 3.35Å
231Y94.3Very high96.7Very high12 Ų1214 Ų145%0.0477%0.07CC..G310 helixtrans-61.3-35.5-174.4-173-132.7000113.3H188 G190 V198 S233 F234 Y248 F536 P537 Y545H188-Y231 AromaticContact CE1-CE2 3.58Å; H188-Y231 AromaticContact CE1-CZ 3.86Å; H188-Y231 PolarHBondContact CE1-OH 3.45Å; H188-Y231 AromaticContact NE2-CE2 3.8Å; G190-Y231 VanDerWaalsContact C-OH 3.29Å; G190-Y231 WeakPolarHBondContact CA-OH 3.44Å; G190-Y231 PolarHBondContact O-OH 3.36Å; V198-Y231 HydrophobicContact CG2-CE1 3.91Å; Y231-S233 PolarHBondContact O-N 3.02Å; Y231-F234 PolarHBondContact O-N 2.91Å; Y231-Y248 HydrophobicContact CE2-CE1 4.13Å; Y231-F536 AromaticContact CD1-CD1 3.79Å; Y231-F536 HydrophobicContact CD1-CD1 3.79Å; Y231-F536 HydrophobicContact CD1-CE1 4.33Å; Y231-F536 HydrophobicContact CD2-CE1 4.44Å; Y231-F536 AromaticContact CE1-CD1 3.68Å; Y231-F536 HydrophobicContact CE1-CD1 3.68Å; Y231-F536 AromaticContact CE1-CE1 3.92Å; Y231-F536 HydrophobicContact CE1-CE1 3.92Å; Y231-F536 HydrophobicContact CE2-CD1 4.44Å; Y231-F536 HydrophobicContact CE2-CE1 4.05Å; Y231-F536 HydrophobicContact CG-CD1 4.21Å; Y231-F536 AromaticContact CZ-CE1 3.76Å; Y231-P537 HydrophobicContact CD1-CG 3.8Å; Y231-P537 HydrophobicContact CE1-CG 4.38Å; Y231-Y545 HydrophobicContact CD1-CE1 4.33Å; Y231-Y545 AromaticContact CE1-CE1 3.99Å; Y231-Y545 HydrophobicContact CE1-CE1 3.99Å
232A93.6Very high96.7Very high24 Ų2414.1 Ų14.120%0.1987%0.07CC..G310 helixtrans-75.40.317700000114.2Y230 F234 F536Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 HydrophobicContact CD2-CB 4.48Å; Y230-A232 HydrophobicContact CE1-CB 4Å; Y230-A232 HydrophobicContact CE2-CB 3.81Å; Y230-A232 PolarHBondContact O-N 3.26Å; A232-F234 PolarHBondContact O-N 3.2Å; A232-F536 HydrophobicContact CB-CB 3.41Å; A232-F536 VanDerWaalsContact CB-CB 3.41Å; A232-F536 HydrophobicContact CB-CG 4.24Å
233S93.1Very high96.7Very high15 Ų1514.1 Ų14.111%0.1057%0.07CC..G310 helixtrans-73.1-6166.169.40000113.3Y230 Y231 G235 Y236 Q237Y230-S233 VanDerWaalsContact O-CB 3.24Å; Y230-S233 WeakPolarHBondContact O-CB 3.35Å; Y230-S233 PolarHBondContact O-N 3.12Å; Y230-S233 PolarHBondContact O-OG 3.35Å; Y231-S233 PolarHBondContact O-N 3.02Å; S233-G235 PolarHBondContact O-N 3.13Å; S233-G235 VanDerWaalsContact O-N 3.08Å; S233-G235 PolarHBondContact OG-N 3.09Å; S233-Y236 WeakPolarHBondContact O-CB 3.43Å; S233-Y236 VanDerWaalsContact O-CD2 3.25Å; S233-Y236 WeakPolarHBondContact O-CD2 3.36Å; S233-Y236 PolarHBondContact O-N 3.29Å; S233-Q237 PolarHBondContact OG-N 3.02Å
234F94.1Very high96.7Very high6 Ų614.1 Ų14.13%0.0267%0.07CC..THydrogen-bonded Turntrans59.518.9-177.2-145.2176.4000114.6H188 I191 A224 Y231 A232 Y236 H465 L469 F523 L534 F536H188-F234 HydrophobicContact CB-CE2 3.72Å; H188-F234 AromaticContact CD2-CD2 3.48Å; H188-F234 VanDerWaalsContact CD2-CD2 3.48Å; H188-F234 WeakPolarHBondContact CD2-CD2 3.49Å; H188-F234 AromaticContact CD2-CE2 3.54Å; H188-F234 AromaticContact CG-CE2 3.71Å; I191-F234 HydrophobicContact CD1-CE2 4.47Å; A224-F234 WeakPolarHBondContact CB-O 3.29Å; Y231-F234 PolarHBondContact O-N 2.91Å; A232-F234 PolarHBondContact O-N 3.2Å; F234-Y236 HydrophobicContact CB-CD2 4.2Å; F234-Y236 HydrophobicContact CB-CE2 4.31Å; F234-H465 AromaticContact CD1-CD2 3.95Å; F234-H465 HydrophobicContact CE1-CB 3.7Å; F234-H465 AromaticContact CE1-CD2 3.76Å; F234-H465 HydrophobicContact CZ-CB 4.06Å; F234-L469 HydrophobicContact CD1-CD1 4.27Å; F234-L469 HydrophobicContact CD1-CD2 4.09Å; F234-L469 HydrophobicContact CE1-CD2 3.98Å; F234-L469 HydrophobicContact CE1-CG 4.34Å; F234-F523 HydrophobicContact CZ-CE2 4.19Å; F234-F523 AromaticContact CZ-CZ 3.75Å; F234-F523 HydrophobicContact CZ-CZ 3.75Å; F234-L534 HydrophobicContact CE1-CD2 3.98Å; F234-L534 HydrophobicContact CE2-CD2 4.16Å; F234-L534 HydrophobicContact CZ-CD2 3.48Å; F234-L534 VanDerWaalsContact CZ-CD2 3.48Å; F234-F536 HydrophobicContact CB-CE2 4.42Å; F234-F536 HydrophobicContact CD1-CE2 4.17Å; F234-F536 HydrophobicContact CD2-CE1 4.28Å; F234-F536 AromaticContact CD2-CE2 3.66Å; F234-F536 HydrophobicContact CD2-CE2 3.66Å; F234-F536 AromaticContact CD2-CZ 3.28Å; F234-F536 HydrophobicContact CD2-CZ 3.28Å; F234-F536 HydrophobicContact CE1-CE2 4.26Å; F234-F536 AromaticContact CE2-CE2 3.79Å; F234-F536 HydrophobicContact CE2-CE2 3.79Å; F234-F536 AromaticContact CE2-CZ 3.42Å; F234-F536 HydrophobicContact CE2-CZ 3.42Å; F234-F536 VanDerWaalsContact CE2-CZ 3.42Å; F234-F536 AromaticContact CG-CE2 3.84Å; F234-F536 HydrophobicContact CG-CE2 3.84Å; F234-F536 AromaticContact CG-CZ 3.93Å; F234-F536 HydrophobicContact CG-CZ 3.93Å; F234-F536 HydrophobicContact CZ-CE2 4.09Å; F234-F536 HydrophobicContact CZ-CZ 4.15Å
235G95.6Very high96.8Very high2 Ų214 Ų142%0.0217%0.07CC..THydrogen-bonded Turntrans102.4-14.6-176.200000114.9S233 Q237 V238S233-G235 PolarHBondContact O-N 3.13Å; S233-G235 VanDerWaalsContact O-N 3.08Å; S233-G235 PolarHBondContact OG-N 3.09Å; G235-Q237 VanDerWaalsContact C-N 3.35Å; G235-Q237 PolarHBondContact O-N 3.45Å; G235-V238 WeakPolarHBondContact O-CG2 3.39Å
236Y95.8Very high96.7Very high48 Ų4815 Ų1519%0.1888%0.077CC..  trans-71.1-26.4-174.2-65.7-64.6000113.6S233 F234 V238 I273 H276 D342 H465S233-Y236 WeakPolarHBondContact O-CB 3.43Å; S233-Y236 VanDerWaalsContact O-CD2 3.25Å; S233-Y236 WeakPolarHBondContact O-CD2 3.36Å; S233-Y236 PolarHBondContact O-N 3.29Å; F234-Y236 HydrophobicContact CB-CD2 4.2Å; F234-Y236 HydrophobicContact CB-CE2 4.31Å; Y236-V238 PolarHBondContact O-N 2.84Å; Y236-V238 VanDerWaalsContact O-N 3.16Å; Y236-I273 HydrophobicContact CD1-CG1 4.21Å; Y236-H276 PolarHBondContact O-NE2 3.27Å; Y236-D342 HydrophobicContact CD1-CB 4.45Å; Y236-D342 HydrophobicContact CE1-CB 3.97Å; Y236-H465 AromaticContact CE2-NE2 3.95Å; Y236-H465 AromaticContact CZ-NE2 3.77Å; Y236-H465 PolarHBondContact OH-CE1 3.46Å; Y236-H465 PolarHBondContact OH-NE2 3.5Å
237Q96.6Very high96.6Very high31 Ų3117.8 Ų17.815%0.1459%0.087CC..SBendtrans-91.267.6178.8-68.5-69.1-45.100112H228 S233 G235 T239 C278 W307 S309H228-Q237 WeakPolarHBondContact CA-O 3.21Å; H228-Q237 VanDerWaalsContact CB-O 3.23Å; H228-Q237 WeakPolarHBondContact CB-O 3.46Å; S233-Q237 PolarHBondContact OG-N 3.02Å; G235-Q237 VanDerWaalsContact C-N 3.35Å; G235-Q237 PolarHBondContact O-N 3.45Å; Q237-T239 PolarHBondContact O-N 3.17Å; Q237-C278 HydrophobicContact CB-CB 4.21Å; Q237-C278 PolarHBondContact OE1-SG 3.16Å; Q237-W307 PolarHBondContact NE2-O 3.08Å; Q237-S309 PolarHBondContact NE2-OG 2.77Å; Q237-S309 PolarHBondContact OE1-OG 2.91Å
238V98.1Very high96.6Very high0 Ų017.9 Ų17.90%09%0.087CC..EExtended strand (participates in β ladder)trans-65.4131.3-177.8179.10000111.7M226 E227 G235 Y236 F241 I273 C278M226-V238 HydrophobicContact CB-CG1 4.01Å; M226-V238 HydrophobicContact CB-CG2 3.83Å; M226-V238 HydrophobicContact CE-CG1 4.23Å; E227-V238 WeakPolarHBondContact O-CA 3.24Å; G235-V238 WeakPolarHBondContact O-CG2 3.39Å; Y236-V238 PolarHBondContact O-N 2.84Å; Y236-V238 VanDerWaalsContact O-N 3.16Å; V238-F241 HydrophobicContact CB-CE1 4.29Å; V238-F241 HydrophobicContact CB-CE2 4.45Å; V238-F241 HydrophobicContact CB-CZ 4.07Å; V238-F241 HydrophobicContact CG1-CD1 3.97Å; V238-F241 HydrophobicContact CG1-CD2 3.91Å; V238-F241 HydrophobicContact CG1-CE1 3.9Å; V238-F241 HydrophobicContact CG1-CE2 3.85Å; V238-F241 HydrophobicContact CG1-CG 3.92Å; V238-F241 HydrophobicContact CG1-CZ 3.8Å; V238-I273 HydrophobicContact CG2-CB 3.71Å; V238-I273 HydrophobicContact CG2-CD1 4Å; V238-I273 HydrophobicContact CG2-CG1 4.04Å; V238-I273 HydrophobicContact CG2-CG2 4.25Å; V238-C278 VanDerWaalsContact O-CB 3.23Å; V238-C278 WeakPolarHBondContact O-CB 3.43Å; V238-C278 PolarHBondContact O-N 3.02Å
239T98.2Very high96.6Very high5 Ų518.5 Ų18.53%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-109.2-43.917753.50000112.4E227 A229 Q237 C278 N280 D283E227-T239 PolarHBondContact O-N 2.87Å; E227-T239 PolarHBondContact O-OG1 3.46Å; A229-T239 HydrophobicContact CB-CG2 3.8Å; Q237-T239 PolarHBondContact O-N 3.17Å; T239-C278 HydrophobicContact CG2-CB 3.77Å; T239-N280 HydrophobicContact CG2-CB 4.35Å; T239-D283 WeakPolarHBondContact CB-O 3.33Å
240S98.3Very high96.7Very high6 Ų619.7 Ų19.74%0.04210%0.099CC..EExtended strand (participates in β ladder)trans-124.397.3-179-69.40000111.2E227 Y242 A243E227-S240 PolarHBondContact O-N 3.01Å; S240-Y242 VanDerWaalsContact C-N 3.28Å; S240-Y242 PolarHBondContact O-N 3.39Å; S240-A243 PolarHBondContact O-N 3.34Å; S240-A243 VanDerWaalsContact O-N 3.16Å
241F98.6Very high96.9Very high1 Ų114 Ų140%0.0048%0.077CC..EExtended strand (participates in β ladder)trans-64-27.3-167.6-72.4-102.8000114.7M226 V238 I273 A277 L285 F312 F322 N326 W330M226-F241 HydrophobicContact CE-CB 3.91Å; M226-F241 HydrophobicContact CE-CD1 3.42Å; M226-F241 VanDerWaalsContact CE-CD1 3.42Å; M226-F241 HydrophobicContact CE-CE1 4.2Å; M226-F241 HydrophobicContact CE-CG 4.03Å; M226-F241 WeakPolarHBondContact CE-O 3.39Å; V238-F241 HydrophobicContact CB-CE1 4.29Å; V238-F241 HydrophobicContact CB-CE2 4.45Å; V238-F241 HydrophobicContact CB-CZ 4.07Å; V238-F241 HydrophobicContact CG1-CD1 3.97Å; V238-F241 HydrophobicContact CG1-CD2 3.91Å; V238-F241 HydrophobicContact CG1-CE1 3.9Å; V238-F241 HydrophobicContact CG1-CE2 3.85Å; V238-F241 HydrophobicContact CG1-CG 3.92Å; V238-F241 HydrophobicContact CG1-CZ 3.8Å; F241-I273 WeakPolarHBondContact CE1-O 3.4Å; F241-A277 HydrophobicContact CE2-CB 3.99Å; F241-A277 HydrophobicContact CZ-CB 3.68Å; F241-L285 HydrophobicContact CD2-CD2 4.22Å; F241-L285 HydrophobicContact CE2-CB 4.32Å; F241-L285 HydrophobicContact CE2-CD2 3.92Å; F241-F312 HydrophobicContact CD1-CZ 4.45Å; F241-F312 HydrophobicContact CE1-CE2 4.01Å; F241-F312 AromaticContact CE1-CZ 3.59Å; F241-F312 HydrophobicContact CE1-CZ 3.59Å; F241-F312 HydrophobicContact CE2-CZ 4.18Å; F241-F312 HydrophobicContact CZ-CE2 4.03Å; F241-F312 AromaticContact CZ-CZ 3.46Å; F241-F312 HydrophobicContact CZ-CZ 3.46Å; F241-F312 VanDerWaalsContact CZ-CZ 3.46Å; F241-F322 HydrophobicContact CB-CE1 3.99Å; F241-F322 HydrophobicContact CB-CZ 3.68Å; F241-F322 HydrophobicContact CD1-CE1 4.14Å; F241-F322 AromaticContact CD2-CE1 4Å; F241-F322 HydrophobicContact CD2-CE1 4Å; F241-F322 AromaticContact CD2-CZ 3.87Å; F241-F322 HydrophobicContact CD2-CZ 3.87Å; F241-F322 AromaticContact CG-CE1 3.75Å; F241-F322 HydrophobicContact CG-CE1 3.75Å; F241-F322 AromaticContact CG-CZ 3.79Å; F241-F322 HydrophobicContact CG-CZ 3.79Å; F241-N326 VanDerWaalsContact C-ND2 3.29Å; F241-N326 PolarHBondContact O-ND2 3.02Å; F241-W330 WeakPolarHBondContact O-CZ2 3.39Å; F241-W330 PolarHBondContact O-NE1 2.78Å
242Y98.6Very high97.1Very high2 Ų214.8 Ų14.81%0.0088%0.081CC..EExtended strand (participates in β ladder)trans-98.2-5.8-178-74.9-98.4000113.4Y59 W145 A146 S240 F322 S325 N326 W329Y59-Y242 HydrophobicContact CD1-CE1 4.41Å; W145-Y242 HydrophobicContact CD2-CE2 4.26Å; W145-Y242 HydrophobicContact CE3-CD1 4.44Å; W145-Y242 HydrophobicContact CE3-CD2 4.29Å; W145-Y242 AromaticContact CE3-CE1 3.83Å; W145-Y242 HydrophobicContact CE3-CE1 3.83Å; W145-Y242 AromaticContact CE3-CE2 3.68Å; W145-Y242 HydrophobicContact CE3-CE2 3.68Å; W145-Y242 AromaticContact CE3-CZ 3.4Å; W145-Y242 AromaticContact CZ3-CE1 3.93Å; W145-Y242 HydrophobicContact CZ3-CE1 3.93Å; W145-Y242 AromaticContact CZ3-CE2 3.97Å; W145-Y242 HydrophobicContact CZ3-CE2 3.97Å; W145-Y242 AromaticContact CZ3-CZ 3.36Å; W145-Y242 WeakPolarHBondContact CZ3-OH 3.4Å; A146-Y242 CarbonylContact O-C 3.59Å; A146-Y242 WeakPolarHBondContact O-CB 3.21Å; S240-Y242 VanDerWaalsContact C-N 3.28Å; S240-Y242 PolarHBondContact O-N 3.39Å; Y242-F322 AromaticContact CD2-CE2 3.98Å; Y242-F322 HydrophobicContact CD2-CE2 3.98Å; Y242-F322 HydrophobicContact CD2-CZ 4.26Å; Y242-F322 AromaticContact CE2-CD2 3.81Å; Y242-F322 HydrophobicContact CE2-CD2 3.81Å; Y242-F322 AromaticContact CE2-CE2 3.49Å; Y242-F322 HydrophobicContact CE2-CE2 3.49Å; Y242-F322 VanDerWaalsContact CE2-CE2 3.49Å; Y242-F322 HydrophobicContact CE2-CG 4.49Å; Y242-F322 AromaticContact CE2-CZ 3.93Å; Y242-F322 HydrophobicContact CE2-CZ 3.93Å; Y242-F322 PolarHBondContact OH-O 3.03Å; Y242-S325 VanDerWaalsContact OH-CB 3.25Å; Y242-S325 WeakPolarHBondContact OH-CB 3.33Å; Y242-N326 HydrophobicContact CE1-CB 4.25Å; Y242-N326 HydrophobicContact CE2-CB 4.01Å; Y242-N326 WeakPolarHBondContact OH-CA 3.47Å; Y242-N326 PolarHBondContact OH-N 3.24Å; Y242-W329 HydrophobicContact CD1-CB 3.85Å; Y242-W329 AromaticContact CD1-CD1 3.65Å; Y242-W329 AromaticContact CD1-CD2 3.77Å; Y242-W329 HydrophobicContact CD1-CD2 3.77Å; Y242-W329 HydrophobicContact CD1-CE3 4.36Å; Y242-W329 AromaticContact CD1-CG 3.5Å; Y242-W329 HydrophobicContact CD1-CG 3.5Å; Y242-W329 VanDerWaalsContact CD1-CG 3.5Å; Y242-W329 AromaticContact CD1-NE1 3.98Å; Y242-W329 HydrophobicContact CE1-CB 3.7Å; Y242-W329 HydrophobicContact CE1-CD2 4.37Å; Y242-W329 AromaticContact CE1-CG 3.89Å; Y242-W329 HydrophobicContact CE1-CG 3.89Å; Y242-W329 PolarHBondContact O-NE1 2.71Å
243A98.5Very high97.3Very high0 Ų016.2 Ų16.20%08%0.084CC..EExtended strand (participates in β ladder)trans-96.6125.9-176.900000110.3A146 V149 E227 S240A146-A243 PolarHBondContact O-N 3.12Å; V149-A243 HydrophobicContact CG2-CB 4.32Å; E227-A243 HydrophobicContact CB-CB 3.92Å; E227-A243 WeakPolarHBondContact CB-O 3.33Å; E227-A243 PolarHBondContact N-O 3.03Å; S240-A243 PolarHBondContact O-N 3.34Å; S240-A243 VanDerWaalsContact O-N 3.16Å
244P98.4Very high97.6Very high0 Ų015.5 Ų15.50%08%0.079CC..EExtended strand (participates in β ladder)trans-61.5139.5160.2-19.332.1000110.1T147 I225 S246 P251 L254 W330 Y334T147-P244 WeakPolarHBondContact O-CD 3.27Å; I225-P244 CarbonylContact O-C 3.51Å; I225-P244 WeakPolarHBondContact O-CA 3.28Å; P244-S246 PolarHBondContact O-N 3.4Å; P244-S246 VanDerWaalsContact O-N 3.12Å; P244-P251 HydrophobicContact CG-CB 4.31Å; P244-P251 HydrophobicContact CG-CG 4.17Å; P244-L254 HydrophobicContact CB-CD2 3.8Å; P244-L254 HydrophobicContact CG-CD2 3.96Å; P244-W330 HydrophobicContact CB-CH2 4.46Å; P244-W330 HydrophobicContact CG-CH2 4.03Å; P244-W330 HydrophobicContact CG-CZ3 4.05Å; P244-Y334 WeakPolarHBondContact CD-OH 3.25Å; P244-Y334 HydrophobicContact CG-CE1 3.65Å; P244-Y334 HydrophobicContact CG-CE2 4.3Å; P244-Y334 VanDerWaalsContact CG-CZ 3.41Å; P244-Y334 WeakPolarHBondContact CG-OH 3.41Å
245S98.4Very high97.8Very high0 Ų016.6 Ų16.60%08%0.084CC..  trans-56.6115.5179.2172.30000111.4I225 E227 R247 Y248I225-S245 PolarHBondContact O-N 2.88Å; E227-S245 VanDerWaalsContact OE1-CA 3.31Å; E227-S245 WeakPolarHBondContact OE1-CA 3.48Å; E227-S245 PolarHBondContact OE1-OG 2.61Å; S245-R247 PolarHBondContact O-N 3.25Å; S245-R247 VanDerWaalsContact O-N 3.16Å; S245-Y248 PolarHBondContact O-N 3.02Å; S245-Y248 VanDerWaalsContact OG-CE2 3.3Å; S245-Y248 WeakPolarHBondContact OG-CE2 3.32Å
246S97.8Very high97.9Very high21 Ų2119.2 Ų19.215%0.14710%0.097CC..THydrogen-bonded Turntrans-69.6-14.9-172.381.40000113.3V149 E227 P244 Y248 G249V149-S246 WeakPolarHBondContact O-CB 3.48Å; V149-S246 PolarHBondContact O-OG 3.17Å; E227-S246 WeakPolarHBondContact OE2-CB 3.39Å; E227-S246 PolarHBondContact OE2-N 3.16Å; P244-S246 PolarHBondContact O-N 3.4Å; P244-S246 VanDerWaalsContact O-N 3.12Å; S246-Y248 PolarHBondContact O-N 3.38Å; S246-G249 PolarHBondContact O-N 2.93Å
247R96.3Very high98.1Very high60 Ų6016.9 Ų16.923%0.2269%0.088CC..THydrogen-bonded Turntrans-62.9-30.9179.3-69.2-171.4-176.580.3-4.2112.7Y158 V198 E227 H228 A229 S245Y158-R247 PolarHBondContact OH-NH1 3.03Å; Y158-R247 VanDerWaalsContact OH-NH1 3.13Å; Y158-R247 PolarHBondContact OH-NH2 3.28Å; V198-R247 HydrophobicContact CG1-CB 4.08Å; E227-R247 IonicContact OE1-NH1 3.59Å; H228-R247 PolarHBondContact O-NH1 3.22Å; H228-R247 PolarHBondContact O-NH2 3.4Å; A229-R247 PolarHBondContact O-NH2 3.36Å; S245-R247 PolarHBondContact O-N 3.25Å; S245-R247 VanDerWaalsContact O-N 3.16Å
248Y97.8Very high98.2Very high1 Ų115.4 Ų15.40%0.0048%0.081CC..SBendtrans-92.3-11.5-177.1-38.4-52.3000112.3H188 V189 V198 S200 F201 A224 H228 Y231 S245 S246H188-Y248 AromaticContact CE1-CE1 3.99Å; H188-Y248 PolarHBondContact CE1-OH 3.09Å; H188-Y248 PolarHBondContact NE2-OH 3.17Å; H188-Y248 VanDerWaalsContact NE2-OH 3.11Å; V189-Y248 HydrophobicContact CB-CD1 4.22Å; V189-Y248 HydrophobicContact CB-CD2 4.24Å; V189-Y248 HydrophobicContact CB-CG 4.05Å; V189-Y248 HydrophobicContact CG1-CD1 4.11Å; V189-Y248 HydrophobicContact CG1-CD2 4.43Å; V189-Y248 HydrophobicContact CG1-CG 3.84Å; V198-Y248 HydrophobicContact CG1-CD1 3.66Å; V198-Y248 HydrophobicContact CG1-CE1 3.87Å; S200-Y248 CarbonylContact C-O 3.54Å; S200-Y248 WeakPolarHBondContact CA-O 3.12Å; S200-Y248 VanDerWaalsContact CB-O 3.23Å; S200-Y248 WeakPolarHBondContact CB-O 3.43Å; F201-Y248 AromaticContact CE1-CD2 3.71Å; F201-Y248 HydrophobicContact CE1-CD2 3.71Å; F201-Y248 HydrophobicContact CE1-CG 4.16Å; F201-Y248 HydrophobicContact CE2-CD2 4.36Å; F201-Y248 AromaticContact CZ-CD2 3.61Å; F201-Y248 HydrophobicContact CZ-CD2 3.61Å; F201-Y248 HydrophobicContact CZ-CG 4.17Å; F201-Y248 PolarHBondContact N-O 3.1Å; A224-Y248 WeakPolarHBondContact CB-OH 3.17Å; A224-Y248 WeakPolarHBondContact O-CE2 3.35Å; A224-Y248 PolarHBondContact O-OH 2.71Å; H228-Y248 PolarHBondContact CE1-OH 3.12Å; Y231-Y248 HydrophobicContact CE2-CE1 4.13Å; S245-Y248 PolarHBondContact O-N 3.02Å; S245-Y248 VanDerWaalsContact OG-CE2 3.3Å; S245-Y248 WeakPolarHBondContact OG-CE2 3.32Å; S246-Y248 PolarHBondContact O-N 3.38Å
249G97.4Very high98.2Very high14 Ų1415.4 Ų15.414%0.1448%0.081CC..  trans135-160.8-177.900000112.1S246 E253S246-G249 PolarHBondContact O-N 2.93Å; G249-E253 VanDerWaalsContact CA-OE2 3.26Å; G249-E253 WeakPolarHBondContact CA-OE2 3.27Å
250T97.9Very high98.2Very high44 Ų4416.7 Ų16.727%0.279%0.088SC..  trans-90.6160.3-17368.60000112.7Y163 E252 E253 L254Y163-T250 WeakPolarHBondContact OH-CB 3.47Å; T250-E252 PolarHBondContact O-N 3.4Å; T250-E253 PolarHBondContact N-OE2 3.04Å; T250-E253 PolarHBondContact O-N 3.4Å; T250-E253 PolarHBondContact OG1-N 3.3Å; T250-E253 PolarHBondContact OG1-OE2 2.78Å; T250-L254 PolarHBondContact O-N 2.9Å
251P98.3Very high98.2Very high2 Ų216.4 Ų16.41%0.0139%0.086CC..Hα-helixtrans-49.4-36.3169.9-34.235.2000115.3Y148 Y163 P244 K255 Y334Y148-P251 VanDerWaalsContact CD2-CD 3.4Å; Y148-P251 HydrophobicContact CD2-CG 3.76Å; Y148-P251 VanDerWaalsContact CE2-CD 3.5Å; Y148-P251 HydrophobicContact CE2-CG 4.35Å; Y148-P251 HydrophobicContact CG-CG 4.16Å; Y163-P251 HydrophobicContact CD1-CB 4.22Å; Y163-P251 HydrophobicContact CD1-CG 3.95Å; Y163-P251 HydrophobicContact CD2-CG 4.33Å; Y163-P251 HydrophobicContact CE1-CB 3.56Å; Y163-P251 HydrophobicContact CE1-CG 3.62Å; Y163-P251 HydrophobicContact CE2-CG 4.03Å; Y163-P251 HydrophobicContact CG-CG 4.29Å; Y163-P251 VanDerWaalsContact CZ-CD 3.47Å; P244-P251 HydrophobicContact CG-CB 4.31Å; P244-P251 HydrophobicContact CG-CG 4.17Å; P251-K255 WeakPolarHBondContact O-CG 3.28Å; P251-K255 PolarHBondContact O-N 3.46Å; P251-Y334 HydrophobicContact CB-CE1 4.25Å; P251-Y334 WeakPolarHBondContact CB-OH 3.31Å
252E98.1Very high98.2Very high28 Ų2816.8 Ų16.813%0.1319%0.088CC..Hα-helixtrans-70.4-32.7177.8-59.4-40.5120.200112.6Y163 P165 Y169 T250 K255 L256Y163-E252 HydrophobicContact CE1-CG 4.46Å; Y163-E252 WeakPolarHBondContact OH-CG 3.43Å; Y163-E252 PolarHBondContact OH-N 2.88Å; P165-E252 HydrophobicContact CG-CG 4.27Å; Y169-E252 WeakPolarHBondContact CA-OE2 3.19Å; Y169-E252 WeakPolarHBondContact CB-OE2 3.26Å; Y169-E252 PolarHBondContact N-OE2 3.35Å; T250-E252 PolarHBondContact O-N 3.4Å; E252-K255 PolarHBondContact O-N 2.9Å; E252-K255 IonicContact OE1-NZ 2.89Å; E252-K255 PolarHBondContact OE1-NZ 3.37Å; E252-K255 WeakPolarHBondContact OE2-CD 3.14Å; E252-K255 IonicContact OE2-NZ 3.01Å; E252-K255 PolarHBondContact OE2-NZ 3.27Å; E252-L256 PolarHBondContact O-N 2.99Å
253E98.3Very high98.2Very high55 Ų5519.3 Ų19.326%0.25711%0.106SC..Hα-helixtrans-70.4-35.2176.1-68.9170.6113.300111.9F201 S202 G249 T250 L256 L257F201-E253 HydrophobicContact CB-CB 3.9Å; F201-E253 HydrophobicContact CD2-CB 4.17Å; F201-E253 HydrophobicContact CG-CB 4.5Å; S202-E253 PolarHBondContact OG-OE1 3.44Å; G249-E253 VanDerWaalsContact CA-OE2 3.26Å; G249-E253 WeakPolarHBondContact CA-OE2 3.27Å; T250-E253 PolarHBondContact N-OE2 3.04Å; T250-E253 PolarHBondContact O-N 3.4Å; T250-E253 PolarHBondContact OG1-N 3.3Å; T250-E253 PolarHBondContact OG1-OE2 2.78Å; E253-L256 PolarHBondContact O-N 2.76Å; E253-L257 PolarHBondContact O-N 2.89Å
254L98.7Very high98.2Very high0 Ų024.9 Ų24.90%013%0.128CC..Hα-helixtrans-63.9-40.3171.2176.759.6000111.8F201 I225 P244 T250 L256 L257 I258 W330 Y334 F336F201-L254 HydrophobicContact CD1-CB 4.49Å; F201-L254 HydrophobicContact CD1-CD1 4.15Å; F201-L254 HydrophobicContact CD2-CB 4.15Å; F201-L254 HydrophobicContact CE1-CB 4.31Å; F201-L254 HydrophobicContact CE1-CD1 3.79Å; F201-L254 HydrophobicContact CE1-CG 4.5Å; F201-L254 HydrophobicContact CE2-CB 3.93Å; F201-L254 HydrophobicContact CG-CB 4.42Å; F201-L254 HydrophobicContact CZ-CB 4Å; F201-L254 HydrophobicContact CZ-CD1 4.17Å; F201-L254 HydrophobicContact CZ-CD2 4.39Å; F201-L254 HydrophobicContact CZ-CG 4.41Å; I225-L254 HydrophobicContact CD1-CD1 4.43Å; I225-L254 HydrophobicContact CG2-CD2 3.58Å; P244-L254 HydrophobicContact CB-CD2 3.8Å; P244-L254 HydrophobicContact CG-CD2 3.96Å; T250-L254 PolarHBondContact O-N 2.9Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.11Å; L254-L257 WeakPolarHBondContact O-CB 3.38Å; L254-L257 PolarHBondContact O-N 3.23Å; L254-I258 HydrophobicContact CD1-CD1 4.02Å; L254-I258 HydrophobicContact CD1-CG1 4.31Å; L254-I258 HydrophobicContact CG-CD1 4.1Å; L254-I258 WeakPolarHBondContact O-CG1 3.19Å; L254-I258 PolarHBondContact O-N 2.95Å; L254-I258 VanDerWaalsContact O-N 3.12Å; L254-W330 HydrophobicContact CD2-CZ3 4.16Å; L254-Y334 HydrophobicContact CB-CD1 4.24Å; L254-Y334 HydrophobicContact CB-CE1 4.28Å; L254-Y334 HydrophobicContact CD2-CD1 3.58Å; L254-Y334 HydrophobicContact CD2-CE1 3.78Å; L254-Y334 HydrophobicContact CD2-CG 4.3Å; L254-Y334 HydrophobicContact CG-CD1 3.8Å; L254-Y334 HydrophobicContact CG-CE1 4.21Å; L254-F336 HydrophobicContact CD1-CZ 4.42Å; L254-F336 HydrophobicContact CD2-CE2 4.44Å
255K98.6Very high98.1Very high29 Ų2927 Ų2713%0.12615%0.149CC..Hα-helixtrans-61.7-42.6175.1-67.8171.6-173.3164.50111.4Y169 F171 P251 E252 L257 I258 D259 K333 Y334Y169-K255 HydrophobicContact CD1-CB 3.61Å; Y169-K255 HydrophobicContact CD1-CD 4.44Å; Y169-K255 HydrophobicContact CE1-CB 4.31Å; Y169-K255 HydrophobicContact CG-CB 4.12Å; F171-K255 HydrophobicContact CE1-CB 4.31Å; F171-K255 WeakPolarHBondContact CE1-O 3.38Å; F171-K255 HydrophobicContact CE2-CB 3.95Å; F171-K255 HydrophobicContact CE2-CD 4.1Å; F171-K255 HydrophobicContact CE2-CG 3.85Å; F171-K255 HydrophobicContact CZ-CB 3.6Å; F171-K255 HydrophobicContact CZ-CD 4.49Å; F171-K255 HydrophobicContact CZ-CG 3.75Å; P251-K255 WeakPolarHBondContact O-CG 3.28Å; P251-K255 PolarHBondContact O-N 3.46Å; E252-K255 PolarHBondContact O-N 2.9Å; E252-K255 IonicContact OE1-NZ 2.89Å; E252-K255 PolarHBondContact OE1-NZ 3.37Å; E252-K255 WeakPolarHBondContact OE2-CD 3.14Å; E252-K255 IonicContact OE2-NZ 3.01Å; E252-K255 PolarHBondContact OE2-NZ 3.27Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-I258 PolarHBondContact O-N 3.02Å; K255-D259 WeakPolarHBondContact O-CB 3.2Å; K255-D259 PolarHBondContact O-N 2.9Å; K255-K333 WeakPolarHBondContact CE-O 3.45Å; K255-Y334 HydrophobicContact CG-CD1 3.84Å; K255-Y334 HydrophobicContact CG-CE1 4.17Å
256L98.3Very high98.1Very high56 Ų5627.1 Ų27.129%0.29315%0.15SC..Hα-helixtrans-59.5-44.5175.2174.362.6000111.4Y169 T205 E252 E253 L254 I258 D259 V260Y169-L256 HydrophobicContact CD2-CB 4.37Å; Y169-L256 HydrophobicContact CE2-CB 3.93Å; Y169-L256 HydrophobicContact CE2-CD1 3.74Å; Y169-L256 HydrophobicContact CE2-CG 4.38Å; Y169-L256 WeakPolarHBondContact OH-CD1 2.95Å; T205-L256 HydrophobicContact CG2-CG 4.49Å; E252-L256 PolarHBondContact O-N 2.99Å; E253-L256 PolarHBondContact O-N 2.76Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.11Å; L256-I258 PolarHBondContact O-N 2.86Å; L256-D259 PolarHBondContact O-N 2.75Å; L256-V260 HydrophobicContact CD1-CG2 3.91Å; L256-V260 HydrophobicContact CG-CG2 4.45Å; L256-V260 VanDerWaalsContact O-CG2 3.32Å; L256-V260 WeakPolarHBondContact O-CG2 3.35Å; L256-V260 PolarHBondContact O-N 2.96Å
257L98.7Very high98.2Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-55.3-51.4177-174.3164.2000111.5V189 F201 F204 T205 I209 L222 E253 L254 K255 V260 A261V189-L257 HydrophobicContact CG2-CD1 4.38Å; F201-L257 HydrophobicContact CB-CD1 4.26Å; F201-L257 HydrophobicContact CD1-CD1 3.79Å; F201-L257 HydrophobicContact CG-CD1 4.47Å; F204-L257 HydrophobicContact CB-CD1 4.14Å; F204-L257 HydrophobicContact CD1-CD1 3.71Å; F204-L257 HydrophobicContact CD1-CD2 4.36Å; F204-L257 HydrophobicContact CD1-CG 4.09Å; F204-L257 HydrophobicContact CG-CD1 4.18Å; T205-L257 VanDerWaalsContact OG1-CA 3.27Å; T205-L257 WeakPolarHBondContact OG1-CA 3.23Å; T205-L257 VanDerWaalsContact OG1-CB 3.26Å; T205-L257 WeakPolarHBondContact OG1-CB 3.48Å; T205-L257 WeakPolarHBondContact OG1-CG 3.43Å; I209-L257 HydrophobicContact CD1-CD2 4.18Å; I209-L257 HydrophobicContact CD1-CG 4.16Å; I209-L257 WeakPolarHBondContact CD1-O 3.47Å; L222-L257 HydrophobicContact CD1-CD2 3.81Å; E253-L257 PolarHBondContact O-N 2.89Å; L254-L257 WeakPolarHBondContact O-CB 3.38Å; L254-L257 PolarHBondContact O-N 3.23Å; K255-L257 VanDerWaalsContact C-N 3.34Å; L257-V260 PolarHBondContact O-N 3.35Å; L257-A261 PolarHBondContact O-N 3.01Å
258I98.7Very high98.3Very high0 Ų023.5 Ų23.50%013%0.134CC..Hα-helixtrans-65.9-42-178.1-63.4165.7000110.7F171 L254 K255 L256 V260 A261 H262 V268 Y334 K335 F336F171-I258 HydrophobicContact CE1-CB 4.4Å; F171-I258 HydrophobicContact CE1-CG2 4.4Å; L254-I258 HydrophobicContact CD1-CD1 4.02Å; L254-I258 HydrophobicContact CD1-CG1 4.31Å; L254-I258 HydrophobicContact CG-CD1 4.1Å; L254-I258 WeakPolarHBondContact O-CG1 3.19Å; L254-I258 PolarHBondContact O-N 2.95Å; L254-I258 VanDerWaalsContact O-N 3.12Å; K255-I258 PolarHBondContact O-N 3.02Å; L256-I258 PolarHBondContact O-N 2.86Å; I258-V260 VanDerWaalsContact C-N 3.31Å; I258-V260 PolarHBondContact O-N 3.08Å; I258-A261 WeakPolarHBondContact O-CB 3.38Å; I258-A261 PolarHBondContact O-N 2.72Å; I258-H262 VanDerWaalsContact O-CG 3.29Å; I258-H262 PolarHBondContact O-N 2.85Å; I258-V268 HydrophobicContact CG1-CG1 4.37Å; I258-V268 HydrophobicContact CG2-CB 4.44Å; I258-V268 HydrophobicContact CG2-CG2 4.29Å; I258-Y334 WeakPolarHBondContact CD1-O 3.29Å; I258-Y334 WeakPolarHBondContact CG2-O 3.5Å; I258-K335 HydrophobicContact CG2-CB 4.31Å; I258-F336 HydrophobicContact CD1-CD1 4.24Å; I258-F336 HydrophobicContact CD1-CD2 3.93Å; I258-F336 HydrophobicContact CD1-CE1 3.94Å; I258-F336 HydrophobicContact CD1-CE2 3.6Å; I258-F336 HydrophobicContact CD1-CG 4.24Å; I258-F336 HydrophobicContact CD1-CZ 3.61Å; I258-F336 HydrophobicContact CG1-CE1 4.49Å; I258-F336 HydrophobicContact CG1-CZ 4.5Å
259D98.7Very high98.3Very high0 Ų023.5 Ų23.50%013%0.134CC..Hα-helixtrans-63.1-36.2177.9-164.824.8000112.4Y169 F171 K172 H173 K255 L256 S263Y169-D259 HydrophobicContact CE1-CB 3.86Å; Y169-D259 WeakPolarHBondContact CE1-OD2 3.34Å; Y169-D259 PolarHBondContact OH-OD2 3.31Å; F171-D259 HydrophobicContact CD1-CB 3.6Å; F171-D259 HydrophobicContact CE1-CB 3.95Å; K172-D259 PolarHBondContact N-OD1 2.68Å; K172-D259 PolarHBondContact N-OD2 2.71Å; H173-D259 WeakPolarHBondContact CB-OD1 3.3Å; H173-D259 IonicContact CG-OD1 2.93Å; H173-D259 PolarHBondContact N-OD1 2.83Å; H173-D259 PolarHBondContact ND1-O 3.01Å; H173-D259 VanDerWaalsContact ND1-O 3.09Å; H173-D259 IonicContact ND1-OD1 3.89Å; H173-D259 PolarHBondContact ND1-OD1 2.97Å; H173-D259 IonicContact ND1-OD2 3.03Å; K255-D259 WeakPolarHBondContact O-CB 3.2Å; K255-D259 PolarHBondContact O-N 2.9Å; L256-D259 PolarHBondContact O-N 2.75Å; D259-S263 PolarHBondContact O-N 2.83Å
260V98.5Very high98.4Very high31 Ų3122.8 Ų22.819%0.18813%0.127CC..Hα-helixtrans-71.2-41.2174.5171.40000110.9T205 I209 L256 L257 I258 H262 S263 Y264T205-V260 HydrophobicContact CG2-CB 3.72Å; T205-V260 HydrophobicContact CG2-CG1 3.85Å; T205-V260 HydrophobicContact CG2-CG2 3.66Å; I209-V260 HydrophobicContact CD1-CB 4.35Å; I209-V260 HydrophobicContact CD1-CG1 4.14Å; I209-V260 HydrophobicContact CG2-CG1 4.22Å; L256-V260 HydrophobicContact CD1-CG2 3.91Å; L256-V260 HydrophobicContact CG-CG2 4.45Å; L256-V260 VanDerWaalsContact O-CG2 3.32Å; L256-V260 WeakPolarHBondContact O-CG2 3.35Å; L256-V260 PolarHBondContact O-N 2.96Å; L257-V260 PolarHBondContact O-N 3.35Å; I258-V260 VanDerWaalsContact C-N 3.31Å; I258-V260 PolarHBondContact O-N 3.08Å; V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.19Å; V260-S263 WeakPolarHBondContact O-CB 3.38Å; V260-S263 PolarHBondContact O-N 2.9Å; V260-S263 VanDerWaalsContact O-N 3.11Å; V260-S263 PolarHBondContact O-OG 3.03Å; V260-Y264 HydrophobicContact CG1-CD2 4.21Å; V260-Y264 HydrophobicContact CG1-CE2 3.85Å; V260-Y264 VanDerWaalsContact O-CD2 3.23Å; V260-Y264 WeakPolarHBondContact O-CD2 3.42Å; V260-Y264 PolarHBondContact O-N 2.73Å
261A98.6Very high98.4Very high0 Ų020.8 Ų20.80%011%0.114CC..Hα-helixtrans-58.3-43.917300000111.5I209 I220 L257 I258 S263 Y264 G265 M266 V268I209-A261 HydrophobicContact CD1-CB 4.08Å; I220-A261 HydrophobicContact CD1-CB 4.4Å; L257-A261 PolarHBondContact O-N 3.01Å; I258-A261 WeakPolarHBondContact O-CB 3.38Å; I258-A261 PolarHBondContact O-N 2.72Å; A261-S263 VanDerWaalsContact C-N 3.3Å; A261-S263 PolarHBondContact O-N 2.83Å; A261-Y264 PolarHBondContact O-N 3.41Å; A261-Y264 VanDerWaalsContact O-N 3.12Å; A261-G265 PolarHBondContact O-N 3.43Å; A261-M266 HydrophobicContact CB-CE 3.98Å; A261-M266 PolarHBondContact O-N 3.26Å; A261-M266 VanDerWaalsContact O-N 3.15Å; A261-V268 HydrophobicContact CB-CG2 3.45Å; A261-V268 VanDerWaalsContact CB-CG2 3.45Å
262H98.6Very high98.4Very high10 Ų1020.7 Ų20.75%0.04611%0.114CC..Hα-helixtrans-61.3-35.9174.2-69.2175000112.7H173 P176 I258 V260 Y264 G265 M266 K335 D337H173-H262 HydrophobicContact CB-CB 4.2Å; P176-H262 VanDerWaalsContact CD-CD2 3.46Å; P176-H262 WeakPolarHBondContact CD-CD2 3.46Å; I258-H262 VanDerWaalsContact O-CG 3.29Å; I258-H262 PolarHBondContact O-N 2.85Å; V260-H262 VanDerWaalsContact C-N 3.3Å; V260-H262 PolarHBondContact O-N 3.19Å; H262-Y264 PolarHBondContact O-N 3.09Å; H262-G265 PolarHBondContact O-N 2.89Å; H262-M266 PolarHBondContact CD2-O 2.92Å; H262-K335 PolarHBondContact CE1-O 2.91Å; H262-K335 VanDerWaalsContact CE1-O 3.25Å; H262-D337 IonicContact CD2-OD2 3.82Å; H262-D337 IonicContact CE1-OD1 3.01Å; H262-D337 IonicContact CE1-OD2 2.83Å; H262-D337 IonicContact NE2-OD1 3.64Å; H262-D337 IonicContact NE2-OD2 2.63Å; H262-D337 PolarHBondContact NE2-OD2 2.82Å
263S98.2Very high98.4Very high54 Ų5419.4 Ų19.438%0.37811%0.108SC..Hα-helixtrans-62.2-26.1175.883.40000113.7H173 D259 V260 A261 G265H173-S263 VanDerWaalsContact CE1-CB 3.47Å; H173-S263 WeakPolarHBondContact CE1-CB 3.41Å; H173-S263 WeakPolarHBondContact NE2-CB 3.41Å; D259-S263 PolarHBondContact O-N 2.83Å; V260-S263 WeakPolarHBondContact O-CB 3.38Å; V260-S263 PolarHBondContact O-N 2.9Å; V260-S263 VanDerWaalsContact O-N 3.11Å; V260-S263 PolarHBondContact O-OG 3.03Å; A261-S263 VanDerWaalsContact C-N 3.3Å; A261-S263 PolarHBondContact O-N 2.83Å; S263-G265 VanDerWaalsContact C-N 3.35Å
264Y97.9Very high98.4Very high117 Ų11716.9 Ų16.946%0.45910%0.096SC..THydrogen-bonded Turntrans-90.34172.9-70.4-73.7000113.4I209 V213 V260 A261 H262 M266I209-Y264 HydrophobicContact CG2-CD2 3.52Å; I209-Y264 HydrophobicContact CG2-CE2 3.68Å; V213-Y264 HydrophobicContact CB-CD1 4.47Å; V213-Y264 HydrophobicContact CG1-CD1 3.98Å; V213-Y264 HydrophobicContact CG1-CG 4.42Å; V213-Y264 HydrophobicContact CG2-CD1 3.96Å; V213-Y264 HydrophobicContact CG2-CD2 4.07Å; V213-Y264 HydrophobicContact CG2-CG 3.62Å; V260-Y264 HydrophobicContact CG1-CD2 4.21Å; V260-Y264 HydrophobicContact CG1-CE2 3.85Å; V260-Y264 VanDerWaalsContact O-CD2 3.23Å; V260-Y264 WeakPolarHBondContact O-CD2 3.42Å; V260-Y264 PolarHBondContact O-N 2.73Å; A261-Y264 PolarHBondContact O-N 3.41Å; A261-Y264 VanDerWaalsContact O-N 3.12Å; H262-Y264 PolarHBondContact O-N 3.09Å; Y264-M266 VanDerWaalsContact C-N 3.32Å
265G97.1Very high98.4Very high44 Ų4416.9 Ų16.945%0.45410%0.096SC..THydrogen-bonded Turntrans76.614.1-178.900000114.7P176 A261 H262 S263P176-G265 WeakPolarHBondContact CB-O 3.12Å; A261-G265 PolarHBondContact O-N 3.43Å; H262-G265 PolarHBondContact O-N 2.89Å; S263-G265 VanDerWaalsContact C-N 3.35Å
266M97.9Very high98.3Very high4 Ų415.8 Ų15.82%0.029%0.091CC..  trans-90.1138.8178.5-61.8-171.8-61.900111.4P176 I209 I212 V213 N218 I220 A261 H262 Y264P176-M266 VanDerWaalsContact CG-C 3.47Å; P176-M266 VanDerWaalsContact CG-O 3.24Å; P176-M266 WeakPolarHBondContact CG-O 3.24Å; I209-M266 HydrophobicContact CG2-CE 3.7Å; I212-M266 HydrophobicContact CG2-SD 3.89Å; V213-M266 HydrophobicContact CG2-CE 3.53Å; V213-M266 HydrophobicContact CG2-CG 4.29Å; V213-M266 HydrophobicContact CG2-SD 3.53Å; V213-M266 VanDerWaalsContact CG2-SD 3.53Å; N218-M266 WeakPolarHBondContact O-CA 3.33Å; I220-M266 HydrophobicContact CD1-CE 3.58Å; I220-M266 HydrophobicContact CD1-SD 4.21Å; I220-M266 HydrophobicContact CG1-CE 4.27Å; I220-M266 HydrophobicContact CG1-SD 4.27Å; A261-M266 HydrophobicContact CB-CE 3.98Å; A261-M266 PolarHBondContact O-N 3.26Å; A261-M266 VanDerWaalsContact O-N 3.15Å; H262-M266 PolarHBondContact CD2-O 2.92Å; Y264-M266 VanDerWaalsContact C-N 3.32Å
267I98.6Very high98.3Very high5 Ų513.2 Ų13.23%0.0268%0.078CC..EExtended strand (participates in β ladder)trans-80151.4166.964.8167.3000110.6P176 P179 L182 N218 A219 I220 L269 D337 V393P176-I267 HydrophobicContact CB-CG2 4.46Å; P176-I267 HydrophobicContact CG-CG2 3.83Å; P179-I267 HydrophobicContact CG-CD1 4.18Å; P179-I267 HydrophobicContact CG-CG1 4.31Å; P179-I267 HydrophobicContact CG-CG2 4.36Å; L182-I267 HydrophobicContact CD2-CD1 3.6Å; N218-I267 PolarHBondContact O-N 3.27Å; A219-I267 CarbonylContact C-O 3.47Å; A219-I267 VanDerWaalsContact CA-O 3.28Å; A219-I267 WeakPolarHBondContact CA-O 3.23Å; A219-I267 HydrophobicContact CB-CD1 3.97Å; A219-I267 HydrophobicContact CB-CG1 3.5Å; A219-I267 VanDerWaalsContact CB-CG1 3.5Å; I220-I267 PolarHBondContact N-O 3.38Å; I267-L269 HydrophobicContact CD1-CD2 4.12Å; I267-D337 WeakPolarHBondContact CA-OD2 3.47Å; I267-D337 HydrophobicContact CB-CB 3.75Å; I267-D337 HydrophobicContact CG2-CB 4.09Å; I267-V393 HydrophobicContact CD1-CG2 4.22Å
268V98.8Very high98.2Very high0 Ų013.5 Ų13.50%08%0.08CC..EExtended strand (participates in β ladder)trans-122.2121.9176.4-169.40000109.8I220 L222 I258 A261 F336 D337I220-V268 HydrophobicContact CB-CG1 4.49Å; L222-V268 HydrophobicContact CD1-CG1 3.59Å; L222-V268 HydrophobicContact CG-CG1 3.89Å; I258-V268 HydrophobicContact CG1-CG1 4.37Å; I258-V268 HydrophobicContact CG2-CB 4.44Å; I258-V268 HydrophobicContact CG2-CG2 4.29Å; A261-V268 HydrophobicContact CB-CG2 3.45Å; A261-V268 VanDerWaalsContact CB-CG2 3.45Å; V268-F336 HydrophobicContact CB-CD1 4.29Å; V268-F336 HydrophobicContact CG1-CD1 3.86Å; V268-F336 HydrophobicContact CG1-CE1 3.69Å; V268-D337 PolarHBondContact N-OD2 2.62Å; V268-D337 PolarHBondContact O-N 3.2Å
269L98.8Very high98.1Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-102.4146.6177.3-50.9-179.8000109.7I184 I220 L222 I267 G338 V393 I395I184-L269 HydrophobicContact CD1-CD1 4.28Å; I220-L269 PolarHBondContact O-N 3.36Å; L222-L269 PolarHBondContact N-O 2.86Å; I267-L269 HydrophobicContact CD1-CD2 4.12Å; L269-G338 WeakPolarHBondContact CA-O 3.37Å; L269-V393 HydrophobicContact CD2-CB 4.06Å; L269-I395 HydrophobicContact CD1-CD1 3.65Å
270L98.8Very high97.9Very high0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-109.6137.6177.5166.767.2000110.7Q221 I225 V272 W330 F336 G338 F339 R340Q221-L270 PolarHBondContact NE2-O 2.92Å; I225-L270 HydrophobicContact CB-CD1 3.51Å; I225-L270 HydrophobicContact CG1-CD1 3.91Å; I225-L270 HydrophobicContact CG2-CD1 4.03Å; L270-V272 HydrophobicContact CD2-CG2 4.09Å; L270-V272 HydrophobicContact CG-CG2 4.09Å; L270-V272 PolarHBondContact O-N 3.01Å; L270-W330 HydrophobicContact CD2-CB 3.72Å; L270-W330 VanDerWaalsContact CD2-CD1 3.49Å; L270-W330 HydrophobicContact CD2-CD2 3.46Å; L270-W330 VanDerWaalsContact CD2-CD2 3.46Å; L270-W330 HydrophobicContact CD2-CE3 4.05Å; L270-W330 HydrophobicContact CD2-CG 3.28Å; L270-F336 HydrophobicContact CB-CD1 3.59Å; L270-F336 HydrophobicContact CB-CD2 4.16Å; L270-F336 HydrophobicContact CB-CE1 3.66Å; L270-F336 HydrophobicContact CB-CE2 4.23Å; L270-F336 HydrophobicContact CB-CG 3.84Å; L270-F336 HydrophobicContact CB-CZ 3.98Å; L270-F336 HydrophobicContact CD1-CE1 4.44Å; L270-F336 HydrophobicContact CD1-CE2 4.43Å; L270-F336 HydrophobicContact CD1-CZ 4.09Å; L270-F336 HydrophobicContact CD2-CD2 4.24Å; L270-F336 HydrophobicContact CD2-CE2 4.2Å; L270-F336 HydrophobicContact CG-CZ 4.46Å; L270-G338 PolarHBondContact N-O 3.11Å; L270-F339 HydrophobicContact CB-CD1 3.85Å; L270-F339 HydrophobicContact CB-CE1 4.13Å; L270-F339 HydrophobicContact CD2-CD1 4.2Å; L270-F339 HydrophobicContact CD2-CE1 3.96Å; L270-F339 HydrophobicContact CG-CD1 4.28Å; L270-F339 HydrophobicContact CG-CE1 4.48Å; L270-F339 CarbonylContact O-C 3.52Å; L270-F339 WeakPolarHBondContact O-CA 3.4Å; L270-R340 PolarHBondContact O-N 3.48Å
271D98.5Very high97.8Very high2 Ų221.4 Ų21.41%0.01112%0.119CC..EExtended strand (participates in β ladder)trans-69.4120.3162.4-81.819.1000110.3Q221 L222 M223 I273 R340 D342Q221-D271 WeakPolarHBondContact CG-OD1 3.32Å; Q221-D271 PolarHBondContact NE2-OD1 3.39Å; L222-D271 PolarHBondContact O-N 2.86Å; L222-D271 VanDerWaalsContact O-N 3.13Å; M223-D271 WeakPolarHBondContact CA-OD2 3.33Å; M223-D271 WeakPolarHBondContact CB-OD2 3.31Å; M223-D271 VanDerWaalsContact CG-OD2 3.27Å; M223-D271 WeakPolarHBondContact CG-OD2 3.35Å; D271-I273 HydrophobicContact CB-CD1 4.19Å; D271-R340 IonicContact OD1-CZ 3.06Å; D271-R340 IonicContact OD1-NE 2.78Å; D271-R340 PolarHBondContact OD1-NE 3.06Å; D271-R340 IonicContact OD1-NH2 2.84Å; D271-R340 PolarHBondContact OD1-NH2 3.15Å; D271-R340 VanDerWaalsContact OD1-NH2 3.09Å; D271-R340 IonicContact OD2-CZ 3.2Å; D271-R340 IonicContact OD2-NE 3.82Å; D271-R340 IonicContact OD2-NH2 3.33Å; D271-R340 PolarHBondContact OD2-NH2 3.45Å; D271-D342 VanDerWaalsContact CB-OD2 3.3Å; D271-D342 WeakPolarHBondContact CB-OD2 3.36Å
272V98.5Very high97.5Very high0 Ų023.3 Ų23.30%013%0.134CC..EExtended strand (participates in β ladder)trans-112.2110.1178.21760000109.2L270 H274 L327 F339 R340 F341 D342L270-V272 HydrophobicContact CD2-CG2 4.09Å; L270-V272 HydrophobicContact CG-CG2 4.09Å; L270-V272 PolarHBondContact O-N 3.01Å; V272-H274 HydrophobicContact CG1-CB 4.21Å; V272-H274 VanDerWaalsContact CG1-CE1 3.45Å; V272-H274 WeakPolarHBondContact CG1-CE1 3.36Å; V272-H274 VanDerWaalsContact CG1-CG 3.43Å; V272-H274 VanDerWaalsContact CG1-ND1 3.35Å; V272-H274 WeakPolarHBondContact CG1-ND1 3.27Å; V272-H274 PolarHBondContact O-N 3.13Å; V272-L327 HydrophobicContact CB-CD2 4.5Å; V272-L327 HydrophobicContact CG1-CD2 3.93Å; V272-L327 HydrophobicContact CG2-CD2 4.04Å; V272-F339 HydrophobicContact CG2-CB 3.9Å; V272-F339 HydrophobicContact CG2-CD1 3.28Å; V272-F339 HydrophobicContact CG2-CE1 4Å; V272-F339 HydrophobicContact CG2-CG 3.76Å; V272-R340 PolarHBondContact N-O 2.68Å; V272-F341 HydrophobicContact CG1-CD1 4.4Å; V272-F341 HydrophobicContact CG1-CE1 4.33Å; V272-D342 PolarHBondContact O-N 3.13Å; V272-D342 VanDerWaalsContact O-N 3.14Å
273I98.2Very high97.3Very high1 Ų123 Ų231%0.00513%0.133CC..  trans-95.782.4178.5-5577.3000107.9M226 Y236 V238 F241 D271 D342M226-I273 HydrophobicContact SD-CD1 4.27Å; Y236-I273 HydrophobicContact CD1-CG1 4.21Å; V238-I273 HydrophobicContact CG2-CB 3.71Å; V238-I273 HydrophobicContact CG2-CD1 4Å; V238-I273 HydrophobicContact CG2-CG1 4.04Å; V238-I273 HydrophobicContact CG2-CG2 4.25Å; F241-I273 WeakPolarHBondContact CE1-O 3.4Å; D271-I273 HydrophobicContact CB-CD1 4.19Å; I273-D342 HydrophobicContact CG1-CB 4.48Å
274H98.6Very high97.1Very high1 Ų120.7 Ų20.71%0.00512%0.118CC..  trans-1042.8172.8-72.7174.1000112.9V272 F312 Y314 L323 N326 Y377V272-H274 HydrophobicContact CG1-CB 4.21Å; V272-H274 VanDerWaalsContact CG1-CE1 3.45Å; V272-H274 WeakPolarHBondContact CG1-CE1 3.36Å; V272-H274 VanDerWaalsContact CG1-CG 3.43Å; V272-H274 VanDerWaalsContact CG1-ND1 3.35Å; V272-H274 WeakPolarHBondContact CG1-ND1 3.27Å; V272-H274 PolarHBondContact O-N 3.13Å; H274-F312 VanDerWaalsContact O-CD2 3.3Å; H274-F312 WeakPolarHBondContact O-CD2 3.05Å; H274-Y314 PolarHBondContact O-OH 3.35Å; H274-L323 HydrophobicContact CB-CD2 4.37Å; H274-L323 PolarHBondContact CE1-O 3.16Å; H274-N326 PolarHBondContact NE2-OD1 2.65Å; H274-Y377 HydrophobicContact CB-CE1 4.28Å; H274-Y377 AromaticContact ND1-CZ 3.81Å; H274-Y377 PolarHBondContact ND1-OH 2.79Å
275S97.3Very high97.1Very high1 Ų115.5 Ų15.51%0.00710%0.098CC..SBendtrans-72-33.317750.10000113.3L311 D342 G343 M347S275-L311 WeakPolarHBondContact O-CD2 3.21Å; S275-D342 VanDerWaalsContact CB-O 3.3Å; S275-D342 WeakPolarHBondContact CB-O 3.37Å; S275-D342 PolarHBondContact OG-O 3.18Å; S275-G343 WeakPolarHBondContact CB-O 3.45Å; S275-M347 VanDerWaalsContact CA-CG 3.49Å
276H97.5Very high97.1Very high6 Ų614 Ų143%0.0288%0.079CC..  trans-156.2174.8-178.463.6-73.7000111.2Y236 W307 S309 R310 L311Y236-H276 PolarHBondContact O-NE2 3.27Å; H276-W307 HydrophobicContact CB-CE3 4.36Å; H276-W307 AromaticContact CE1-CE3 3.74Å; H276-W307 AromaticContact CE1-CZ3 3.85Å; H276-W307 AromaticContact CG-CE3 3.82Å; H276-W307 AromaticContact ND1-CE3 3.52Å; H276-W307 AromaticContact ND1-CZ3 3.43Å; H276-W307 WeakPolarHBondContact ND1-CZ3 3.33Å; H276-S309 PolarHBondContact CD2-OG 3.23Å; H276-R310 CarbonylContact C-O 3.56Å; H276-R310 VanDerWaalsContact CA-O 3.24Å; H276-R310 WeakPolarHBondContact CA-O 3.34Å; H276-R310 WeakPolarHBondContact CB-O 3.47Å; H276-L311 HydrophobicContact CB-CD2 4.2Å
277A97.8Very high97Very high1 Ų117.2 Ų17.21%0.0089%0.094CC..EExtended strand (participates in β ladder)trans-132.5153.5170.900000110.9F241 F296 R310 F312F241-A277 HydrophobicContact CE2-CB 3.99Å; F241-A277 HydrophobicContact CZ-CB 3.68Å; A277-F296 HydrophobicContact CB-CE1 3.51Å; A277-F296 HydrophobicContact CB-CZ 3.54Å; A277-R310 PolarHBondContact N-O 3.05Å; A277-R310 PolarHBondContact O-N 3.06Å; A277-F312 HydrophobicContact CB-CE2 4.36Å; A277-F312 HydrophobicContact CB-CZ 4.14Å
278C96.6Very high96.9Very high6 Ų617 Ų174%0.0419%0.093CC..EExtended strand (participates in β ladder)trans-58.7141.9175.6-172.40000111.4Q237 V238 T239 N280Q237-C278 HydrophobicContact CB-CB 4.21Å; Q237-C278 PolarHBondContact OE1-SG 3.16Å; V238-C278 VanDerWaalsContact O-CB 3.23Å; V238-C278 WeakPolarHBondContact O-CB 3.43Å; V238-C278 PolarHBondContact O-N 3.02Å; T239-C278 HydrophobicContact CG2-CB 3.77Å; C278-N280 PolarHBondContact O-N 3.42Å; C278-N280 VanDerWaalsContact SG-CG 3.58Å
279K96.1Very high96.7Very high88 Ų8817 Ų1738%0.3839%0.093SC..  trans-70.9-6176.666.4167.8173.2-177.10114.5T281 N286 D308K279-T281 PolarHBondContact O-N 2.82Å; K279-N286 WeakPolarHBondContact O-CB 3.44Å; K279-N286 PolarHBondContact O-ND2 2.89Å; K279-D308 WeakPolarHBondContact CD-O 3.47Å; K279-D308 WeakPolarHBondContact CD-OD1 3.38Å; K279-D308 WeakPolarHBondContact CE-OD1 3.5Å; K279-D308 VanDerWaalsContact CE-OD2 3.23Å; K279-D308 WeakPolarHBondContact CE-OD2 3.39Å; K279-D308 WeakPolarHBondContact CG-O 3.45Å; K279-D308 IonicContact NZ-OD1 3.17Å; K279-D308 PolarHBondContact NZ-OD1 3.09Å; K279-D308 IonicContact NZ-OD2 2.85Å; K279-D308 PolarHBondContact NZ-OD2 3.14Å
280N95.2Very high96.5Very high55 Ų5518.1 Ų18.129%0.29411%0.105SC..  trans-57.1129.8179.3-80.914.2000111.8T239 C278 D283 G284 N286T239-N280 HydrophobicContact CG2-CB 4.35Å; C278-N280 PolarHBondContact O-N 3.42Å; C278-N280 VanDerWaalsContact SG-CG 3.58Å; N280-D283 WeakPolarHBondContact CB-OD1 3.49Å; N280-D283 PolarHBondContact ND2-OD1 2.8Å; N280-G284 CarbonylContact O-C 3.56Å; N280-G284 VanDerWaalsContact O-CA 3.28Å; N280-G284 WeakPolarHBondContact O-CA 3.42Å; N280-G284 PolarHBondContact O-N 3.45Å; N280-N286 VanDerWaalsContact O-CB 3.28Å; N280-N286 WeakPolarHBondContact O-CB 3.4Å
281T95.3Very high96.2Very high55 Ų5520 Ų2034%0.33712%0.116SC..SBendtrans-98.3-27.6-179.256.90000113.4K141 K279 N286 Q287K141-T281 VanDerWaalsContact CD-O 3.32Å; K141-T281 WeakPolarHBondContact CD-O 3.32Å; K141-T281 WeakPolarHBondContact CE-O 3.48Å; K141-T281 PolarHBondContact NZ-O 3.19Å; K279-T281 PolarHBondContact O-N 2.82Å; T281-N286 HydrophobicContact CG2-CB 4.08Å; T281-Q287 HydrophobicContact CG2-CB 4.11Å; T281-Q287 HydrophobicContact CG2-CG 4.13Å
282A93.3Very high96Very high39 Ų3923.1 Ų23.132%0.32213%0.133SC..SBendtrans-81.9-37.5-175.600000112.7V157V157-A282 HydrophobicContact CG1-CB 3.67Å; V157-A282 HydrophobicContact CG2-CB 4.27Å
283D93.5Very high95.5Very high5 Ų524.6 Ų24.63%0.02715%0.148CC..SBendtrans-125.26-177.356.81.8000114.2L142 V157 Y158 T239 N280L142-D283 HydrophobicContact CD1-CB 3.89Å; V157-D283 HydrophobicContact CG1-CB 4.13Å; Y158-D283 PolarHBondContact N-OD2 3.2Å; T239-D283 WeakPolarHBondContact CB-O 3.33Å; N280-D283 WeakPolarHBondContact CB-OD1 3.49Å; N280-D283 PolarHBondContact ND2-OD1 2.8Å
284G95.1Very high95.4Very high5 Ų524.9 Ų24.95%0.05215%0.15CC..SBendtrans-118178.1177.500000113.1N280 N286N280-G284 CarbonylContact O-C 3.56Å; N280-G284 VanDerWaalsContact O-CA 3.28Å; N280-G284 WeakPolarHBondContact O-CA 3.42Å; N280-G284 PolarHBondContact O-N 3.45Å; G284-N286 PolarHBondContact O-N 3.41Å
285L97.3Very high95.4Very high7 Ų725 Ų254%0.03715%0.15CC..SBendtrans-73-13.5-179.3-169.459.9000113.3P144 F241 W288 Y295 F296 F312 F322P144-L285 HydrophobicContact CB-CD1 3.6Å; P144-L285 HydrophobicContact CG-CD1 3.67Å; F241-L285 HydrophobicContact CD2-CD2 4.22Å; F241-L285 HydrophobicContact CE2-CB 4.32Å; F241-L285 HydrophobicContact CE2-CD2 3.92Å; L285-W288 WeakPolarHBondContact O-CB 3.25Å; L285-W288 PolarHBondContact O-N 2.86Å; L285-Y295 HydrophobicContact CD1-CD2 3.47Å; L285-Y295 VanDerWaalsContact CD1-CD2 3.47Å; L285-Y295 HydrophobicContact CD1-CE2 3.58Å; L285-Y295 HydrophobicContact CD1-CG 4.01Å; L285-Y295 HydrophobicContact CD2-CD1 4.28Å; L285-Y295 HydrophobicContact CD2-CD2 4.2Å; L285-Y295 HydrophobicContact CD2-CG 3.89Å; L285-Y295 HydrophobicContact CG-CD2 3.86Å; L285-Y295 HydrophobicContact CG-CE2 4.46Å; L285-Y295 HydrophobicContact CG-CG 4.05Å; L285-F296 HydrophobicContact CB-CE2 4.3Å; L285-F296 HydrophobicContact CB-CZ 3.92Å; L285-F296 HydrophobicContact CD2-CE1 4.36Å; L285-F296 HydrophobicContact CD2-CE2 4.48Å; L285-F296 HydrophobicContact CD2-CZ 3.76Å; L285-F296 HydrophobicContact CG-CE2 4.06Å; L285-F296 HydrophobicContact CG-CZ 3.76Å; L285-F312 HydrophobicContact CD2-CE1 3.82Å; L285-F312 HydrophobicContact CD2-CZ 4.26Å; L285-F322 HydrophobicContact CD2-CE1 4.03Å; L285-F322 HydrophobicContact CD2-CZ 4.15Å
286N96.9Very high95.4Very high12 Ų1225 Ų256%0.06415%0.151CC..THydrogen-bonded Turntrans-66137.2-177.3-167.719.2000112.2K141 K279 N280 T281 G284 W288 R310K141-N286 PolarHBondContact NZ-O 2.91Å; K141-N286 VanDerWaalsContact NZ-O 3.17Å; K279-N286 WeakPolarHBondContact O-CB 3.44Å; K279-N286 PolarHBondContact O-ND2 2.89Å; N280-N286 VanDerWaalsContact O-CB 3.28Å; N280-N286 WeakPolarHBondContact O-CB 3.4Å; T281-N286 HydrophobicContact CG2-CB 4.08Å; G284-N286 PolarHBondContact O-N 3.41Å; N286-W288 PolarHBondContact O-N 3.34Å; N286-W288 VanDerWaalsContact O-N 3.14Å; N286-R310 HydrophobicContact CB-CG 4.21Å; N286-R310 PolarHBondContact OD1-NH1 3.36Å
287Q95.9Very high95.3Very high72 Ų7225.6 Ų25.634%0.33615%0.153SC..THydrogen-bonded Turntrans51.435.2-178.8-61.81780.300113.4K141 T281 D289 G290 T291 N292K141-Q287 WeakPolarHBondContact CE-O 3.27Å; K141-Q287 PolarHBondContact NZ-O 3.2Å; T281-Q287 HydrophobicContact CG2-CB 4.11Å; T281-Q287 HydrophobicContact CG2-CG 4.13Å; Q287-D289 PolarHBondContact O-N 3.2Å; Q287-G290 PolarHBondContact O-N 3.43Å; Q287-T291 VanDerWaalsContact CA-O 3.31Å; Q287-T291 WeakPolarHBondContact CA-O 3.43Å; Q287-N292 WeakPolarHBondContact CG-OD1 3.4Å; Q287-N292 PolarHBondContact NE2-OD1 3.39Å
288W96.7Very high95.1Very high1 Ų129.4 Ų29.40%0.00417%0.174CC..THydrogen-bonded Turntrans-52-51.6-176.3163.6-112.3000112.5E76 W77 V130 K141 L142 P144 L285 N286 G290 Y295E76-W288 HydrophobicContact CB-CZ2 4.11Å; E76-W288 HydrophobicContact CG-CH2 4.49Å; E76-W288 HydrophobicContact CG-CZ2 4.01Å; W77-W288 PolarHBondContact O-NE1 2.76Å; V130-W288 HydrophobicContact CB-CH2 3.8Å; V130-W288 HydrophobicContact CB-CZ3 4.35Å; V130-W288 HydrophobicContact CG1-CH2 3.84Å; V130-W288 HydrophobicContact CG1-CZ2 4.46Å; V130-W288 HydrophobicContact CG2-CH2 4.04Å; K141-W288 HydrophobicContact CB-CE3 3.57Å; K141-W288 HydrophobicContact CB-CH2 4.34Å; K141-W288 HydrophobicContact CB-CZ3 3.26Å; K141-W288 HydrophobicContact CG-CE3 4.07Å; K141-W288 HydrophobicContact CG-CZ3 4.17Å; L142-W288 WeakPolarHBondContact O-CZ3 3.43Å; P144-W288 VanDerWaalsContact CD-CE2 3.49Å; P144-W288 VanDerWaalsContact CD-CH2 3.45Å; P144-W288 HydrophobicContact CG-CD2 3.62Å; P144-W288 HydrophobicContact CG-CE3 4.06Å; P144-W288 HydrophobicContact CG-CG 3.97Å; P144-W288 HydrophobicContact CG-CH2 4.41Å; P144-W288 HydrophobicContact CG-CZ2 3.99Å; P144-W288 HydrophobicContact CG-CZ3 4.43Å; L285-W288 WeakPolarHBondContact O-CB 3.25Å; L285-W288 PolarHBondContact O-N 2.86Å; N286-W288 PolarHBondContact O-N 3.34Å; N286-W288 VanDerWaalsContact O-N 3.14Å; W288-G290 VanDerWaalsContact C-N 3.29Å; W288-G290 PolarHBondContact O-N 2.85Å; W288-Y295 AromaticContact CD1-CE2 3.68Å; W288-Y295 HydrophobicContact CG-CE2 4.22Å
289D95.5Very high94.7Very high0 Ų035.5 Ų35.50%021%0.206CC..THydrogen-bonded Turntrans-92.317.1178.972.7-7.6000113.6A78 P79 C80 A81 Q287 T291 C294A78-D289 HydrophobicContact CB-CB 3.79Å; P79-D289 WeakPolarHBondContact CD-OD2 3.45Å; C80-D289 VanDerWaalsContact CB-OD2 3.27Å; C80-D289 WeakPolarHBondContact CB-OD2 3.29Å; C80-D289 PolarHBondContact N-OD2 3.48Å; A81-D289 HydrophobicContact CB-CB 4.45Å; Q287-D289 PolarHBondContact O-N 3.2Å; D289-T291 VanDerWaalsContact C-N 3.31Å; D289-T291 WeakPolarHBondContact OD1-CB 3.36Å; D289-T291 PolarHBondContact OD1-N 3.25Å; D289-T291 PolarHBondContact OD1-OG1 2.98Å; D289-C294 WeakPolarHBondContact OD1-CB 3.46Å
290G93.5Very high94.4Very high24 Ų2439.3 Ų39.325%0.24722%0.219CC..SBendtrans80.52.6-174.200000114.8Q287 W288Q287-G290 PolarHBondContact O-N 3.43Å; W288-G290 VanDerWaalsContact C-N 3.29Å; W288-G290 PolarHBondContact O-N 2.85Å
291T94Very high94.3Very high38 Ų3842.2 Ų42.223%0.23323%0.226CC..SBendtrans-120.8161.9177.975.30000112.9C80 Q287 D289C80-T291 HydrophobicContact CB-CG2 3.4Å; C80-T291 VanDerWaalsContact CB-CG2 3.4Å; Q287-T291 VanDerWaalsContact CA-O 3.31Å; Q287-T291 WeakPolarHBondContact CA-O 3.43Å; D289-T291 VanDerWaalsContact C-N 3.31Å; D289-T291 WeakPolarHBondContact OD1-CB 3.36Å; D289-T291 PolarHBondContact OD1-N 3.25Å; D289-T291 PolarHBondContact OD1-OG1 2.98Å
292N92.9Very high94.2Very high69 Ų6939.6 Ų39.637%0.36921%0.21SC..SBendtrans-77.8-24.1178.4-71.2-26.8000113.4Q287 D298 R310Q287-N292 WeakPolarHBondContact CG-OD1 3.4Å; Q287-N292 PolarHBondContact NE2-OD1 3.39Å; N292-D298 VanDerWaalsContact CB-OD1 3.28Å; N292-D298 WeakPolarHBondContact CB-OD1 3.49Å; N292-R310 PolarHBondContact O-NH1 3.13Å; N292-R310 VanDerWaalsContact O-NH1 3.14Å; N292-R310 PolarHBondContact O-NH2 2.88Å
293G89.4Confident94.2Very high30 Ų3040.7 Ų40.731%0.30921%0.207SC..SBendtrans-97.77-165.900000117.2F296G293-F296 CarbonylContact C-O 3.57Å; G293-F296 VanDerWaalsContact CA-O 3.29Å; G293-F296 WeakPolarHBondContact CA-O 3.47Å
294C95.5Very high94.2Very high8 Ų840.5 Ų40.55%0.05421%0.206CC..SBendtrans-61.1-83.9-175.4-174.80000113.1W77 D289 F296W77-C294 WeakPolarHBondContact CH2-O 3.45Å; D289-C294 WeakPolarHBondContact OD1-CB 3.46Å; C294-F296 VanDerWaalsContact C-N 3.27Å
295Y97.7Very high93.9Very high2 Ų244.4 Ų44.41%0.00823%0.226CC..SBendtrans-80.2-10.7175-72.8-87.6000113.4W77 P144 L285 W288 F312 N313 V319 F322W77-Y295 HydrophobicContact CE3-CD1 4.36Å; W77-Y295 AromaticContact CE3-CE1 3.85Å; W77-Y295 HydrophobicContact CE3-CE1 3.85Å; W77-Y295 HydrophobicContact CE3-CE2 4.1Å; W77-Y295 AromaticContact CE3-CZ 3.7Å; W77-Y295 AromaticContact CZ3-CD1 3.99Å; W77-Y295 HydrophobicContact CZ3-CD1 3.99Å; W77-Y295 HydrophobicContact CZ3-CD2 4.39Å; W77-Y295 AromaticContact CZ3-CE1 3.94Å; W77-Y295 HydrophobicContact CZ3-CE1 3.94Å; W77-Y295 HydrophobicContact CZ3-CE2 4.35Å; W77-Y295 HydrophobicContact CZ3-CG 4.21Å; P144-Y295 HydrophobicContact CB-CE2 4.24Å; P144-Y295 HydrophobicContact CG-CE2 3.86Å; L285-Y295 HydrophobicContact CD1-CD2 3.47Å; L285-Y295 VanDerWaalsContact CD1-CD2 3.47Å; L285-Y295 HydrophobicContact CD1-CE2 3.58Å; L285-Y295 HydrophobicContact CD1-CG 4.01Å; L285-Y295 HydrophobicContact CD2-CD1 4.28Å; L285-Y295 HydrophobicContact CD2-CD2 4.2Å; L285-Y295 HydrophobicContact CD2-CG 3.89Å; L285-Y295 HydrophobicContact CG-CD2 3.86Å; L285-Y295 HydrophobicContact CG-CE2 4.46Å; L285-Y295 HydrophobicContact CG-CG 4.05Å; W288-Y295 AromaticContact CD1-CE2 3.68Å; W288-Y295 HydrophobicContact CG-CE2 4.22Å; Y295-F312 WeakPolarHBondContact O-CA 3.46Å; Y295-F312 WeakPolarHBondContact O-CD1 3.39Å; Y295-N313 PolarHBondContact O-N 3.42Å; Y295-V319 HydrophobicContact CD1-CG2 4.03Å; Y295-V319 WeakPolarHBondContact O-CG2 3.33Å; Y295-F322 HydrophobicContact CD1-CB 4.41Å; Y295-F322 HydrophobicContact CD1-CD1 4.34Å; Y295-F322 HydrophobicContact CD1-CG 4.25Å; Y295-F322 HydrophobicContact CE1-CB 3.89Å; Y295-F322 HydrophobicContact CE1-CD1 4.29Å; Y295-F322 AromaticContact CE1-CD2 3.88Å; Y295-F322 HydrophobicContact CE1-CD2 3.88Å; Y295-F322 HydrophobicContact CE1-CE2 4.47Å; Y295-F322 AromaticContact CE1-CG 3.77Å; Y295-F322 HydrophobicContact CE1-CG 3.77Å
296F98Very high93.5Very high3 Ų349.6 Ų49.61%0.01325%0.253CS..BIsolated β-bridgetrans-121.1159.9-167.5-54.4-62.1000110.5A277 L285 G293 C294 R310 L311 F312A277-F296 HydrophobicContact CB-CE1 3.51Å; A277-F296 HydrophobicContact CB-CZ 3.54Å; L285-F296 HydrophobicContact CB-CE2 4.3Å; L285-F296 HydrophobicContact CB-CZ 3.92Å; L285-F296 HydrophobicContact CD2-CE1 4.36Å; L285-F296 HydrophobicContact CD2-CE2 4.48Å; L285-F296 HydrophobicContact CD2-CZ 3.76Å; L285-F296 HydrophobicContact CG-CE2 4.06Å; L285-F296 HydrophobicContact CG-CZ 3.76Å; G293-F296 CarbonylContact C-O 3.57Å; G293-F296 VanDerWaalsContact CA-O 3.29Å; G293-F296 WeakPolarHBondContact CA-O 3.47Å; C294-F296 VanDerWaalsContact C-N 3.27Å; F296-R310 VanDerWaalsContact CB-NH2 3.29Å; F296-R310 HydrophobicContact CD1-CB 3.67Å; F296-R310 HydrophobicContact CD2-CB 4.02Å; F296-R310 HydrophobicContact CD2-CG 4.3Å; F296-R310 HydrophobicContact CE1-CB 3.74Å; F296-R310 HydrophobicContact CE2-CB 4.09Å; F296-R310 HydrophobicContact CE2-CG 4.33Å; F296-R310 HydrophobicContact CG-CB 3.81Å; F296-R310 HydrophobicContact CZ-CB 3.94Å; F296-L311 WeakPolarHBondContact CA-O 3.21Å; F296-L311 VanDerWaalsContact CB-O 3.24Å; F296-L311 WeakPolarHBondContact CB-O 3.3Å; F296-L311 WeakPolarHBondContact CD1-O 3.35Å; F296-F312 HydrophobicContact CD1-CD1 4.14Å; F296-F312 HydrophobicContact CD1-CE1 4.48Å; F296-F312 HydrophobicContact CD1-CG 4.44Å; F296-F312 AromaticContact CE1-CD1 3.91Å; F296-F312 HydrophobicContact CE1-CD1 3.91Å; F296-F312 AromaticContact CE1-CE1 3.81Å; F296-F312 HydrophobicContact CE1-CE1 3.81Å; F296-F312 HydrophobicContact CE1-CG 4.37Å; F296-F312 HydrophobicContact CE1-CZ 4.19Å
297H96.1Very high93.2Very high18 Ų1853 Ų538%0.08327%0.265CS..  trans-61.9151.4163.6-70.4-66.4000110R301 G302 R310 L311 F312 N313H297-R301 HydrophobicContact CB-CB 4.12Å; H297-R301 HydrophobicContact CB-CG 3.95Å; H297-R301 VanDerWaalsContact CE1-CZ 3.4Å; H297-R301 PolarHBondContact CE1-NE 3.3Å; H297-R301 PolarHBondContact NE2-NE 3.32Å; H297-R301 PolarHBondContact NE2-NH2 2.98Å; H297-G302 VanDerWaalsContact O-CA 3.22Å; H297-G302 WeakPolarHBondContact O-CA 3.47Å; H297-R310 PolarHBondContact O-NH2 3.49Å; H297-L311 PolarHBondContact N-O 3.46Å; H297-F312 PolarHBondContact CD2-O 3.01Å; H297-F312 VanDerWaalsContact CD2-O 3.23Å; H297-F312 PolarHBondContact NE2-O 2.77Å; H297-N313 PolarHBondContact CE1-OD1 3Å
298D92.1Very high93.1Very high81 Ų8153 Ų5343%0.43327%0.268SS..SBendtrans-87.5164171.7-160.28.5000110.8N292N292-D298 VanDerWaalsContact CB-OD1 3.28Å; N292-D298 WeakPolarHBondContact CB-OD1 3.49Å
299N88.4Confident93Very high133 Ų13353 Ų5371%0.71127%0.267SS*.G310 helixtrans57.8-152.8-179.7-50.3-66.6000113R301 G302N299-R301 VanDerWaalsContact C-N 3.31Å; N299-R301 PolarHBondContact O-N 3.48Å; N299-G302 PolarHBondContact O-N 3.45Å
300Y89.6Confident93.1Very high169 Ų16953.7 Ų53.766%0.66327%0.27SS*.G310 helixtrans-61.2-33.3-174.7-167-99.4000113.5G302 F303 D305Y300-G302 PolarHBondContact O-N 2.96Å; Y300-G302 VanDerWaalsContact O-N 3.14Å; Y300-F303 PolarHBondContact O-N 3.44Å; Y300-D305 WeakPolarHBondContact CE2-OD2 3.41Å; Y300-D305 VanDerWaalsContact CZ-OD2 3.31Å; Y300-D305 PolarHBondContact OH-OD2 2.79Å
301R92.6Very high93.3Very high116 Ų11653.1 Ų53.144%0.43826%0.261SS..G310 helixtrans-61.7-23.5175.8-174.9175.8176.3-177.5-2.6112.6H297 N299 D371 D373H297-R301 HydrophobicContact CB-CB 4.12Å; H297-R301 HydrophobicContact CB-CG 3.95Å; H297-R301 VanDerWaalsContact CE1-CZ 3.4Å; H297-R301 PolarHBondContact CE1-NE 3.3Å; H297-R301 PolarHBondContact NE2-NE 3.32Å; H297-R301 PolarHBondContact NE2-NH2 2.98Å; N299-R301 VanDerWaalsContact C-N 3.31Å; N299-R301 PolarHBondContact O-N 3.48Å; R301-D371 IonicContact NH2-OD2 3.05Å; R301-D373 IonicContact NH2-OD2 3.77Å; R301-D373 PolarHBondContact NH2-OD2 3.17Å
302G93.7Very high93.5Very high0 Ų051.4 Ų51.40%025%0.25CS..G310 helixtrans-89.46.5-178.900000115.6H297 N299 Y300 R310 L311H297-G302 VanDerWaalsContact O-CA 3.22Å; H297-G302 WeakPolarHBondContact O-CA 3.47Å; N299-G302 PolarHBondContact O-N 3.45Å; Y300-G302 PolarHBondContact O-N 2.96Å; Y300-G302 VanDerWaalsContact O-N 3.14Å; G302-R310 WeakPolarHBondContact O-CA 3.36Å; G302-R310 PolarHBondContact O-NE 3.2Å; G302-L311 PolarHBondContact O-N 3.3Å
303F93.9Very high93.8Very high62 Ų6248.9 Ų48.927%0.27224%0.237SC..EExtended strand (participates in β ladder)trans-134.3135.1-172.6-172.1-101.9000111Y300 D305 D308 S309Y300-F303 PolarHBondContact O-N 3.44Å; F303-D305 WeakPolarHBondContact CD1-OD1 3.34Å; F303-D305 VanDerWaalsContact CE1-OD1 3.3Å; F303-D305 WeakPolarHBondContact CE1-OD1 3.32Å; F303-D308 WeakPolarHBondContact CZ-OD1 3.42Å; F303-S309 WeakPolarHBondContact CA-O 3.23Å; F303-S309 VanDerWaalsContact CD2-O 3.27Å; F303-S309 WeakPolarHBondContact CD2-O 3.39Å
304H92.5Very high94.2Very high1 Ų148.1 Ų48.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-105.1101.5178.3-168.2-68.4000109.6L306 W307 D308 S309 L311 S346 H352H304-L306 PolarHBondContact O-N 3.45Å; H304-W307 HydrophobicContact CB-CB 4.43Å; H304-W307 AromaticContact CD2-CE3 3.74Å; H304-W307 AromaticContact CE1-CD1 3.8Å; H304-W307 AromaticContact CE1-CD2 3.31Å; H304-W307 AromaticContact CE1-CE2 3.61Å; H304-W307 AromaticContact CE1-CE3 3.75Å; H304-W307 AromaticContact CE1-CG 3.47Å; H304-W307 VanDerWaalsContact CE1-CG 3.47Å; H304-W307 AromaticContact CE1-NE1 3.85Å; H304-W307 AromaticContact CG-CE3 3.89Å; H304-W307 AromaticContact ND1-CD1 4Å; H304-W307 AromaticContact ND1-CD2 3.57Å; H304-W307 AromaticContact ND1-CE3 3.91Å; H304-W307 AromaticContact ND1-CG 3.38Å; H304-W307 PolarHBondContact ND1-N 3.18Å; H304-W307 AromaticContact NE2-CD2 3.67Å; H304-W307 AromaticContact NE2-CE2 3.93Å; H304-W307 AromaticContact NE2-CE3 3.65Å; H304-W307 AromaticContact NE2-CZ3 3.92Å; H304-W307 PolarHBondContact O-N 3.05Å; H304-D308 PolarHBondContact O-N 2.72Å; H304-S309 PolarHBondContact N-O 3.31Å; H304-S309 PolarHBondContact O-N 3.38Å; H304-L311 HydrophobicContact CB-CD1 4.19Å; H304-L311 HydrophobicContact CB-CD2 4.02Å; H304-L311 HydrophobicContact CB-CG 4.08Å; H304-S346 PolarHBondContact CD2-OG 3.39Å; H304-S346 PolarHBondContact NE2-OG 3.32Å; H304-S346 VanDerWaalsContact NE2-OG 3.1Å; H304-H352 AromaticContact CD2-CD2 3.72Å; H304-H352 AromaticContact CD2-CG 3.55Å; H304-H352 AromaticContact CD2-ND1 3.93Å; H304-H352 WeakPolarHBondContact NE2-CB 3.27Å; H304-H352 AromaticContact NE2-CD2 3.98Å; H304-H352 AromaticContact NE2-CG 3.58Å
305D89.7Confident94.2Very high87 Ų8751.3 Ų51.347%0.46524%0.244SC..G310 helixtrans-55.8-45.8-170.6-74.8-19.5000113.7Y300 F303 W307 D308Y300-D305 WeakPolarHBondContact CE2-OD2 3.41Å; Y300-D305 VanDerWaalsContact CZ-OD2 3.31Å; Y300-D305 PolarHBondContact OH-OD2 2.79Å; F303-D305 WeakPolarHBondContact CD1-OD1 3.34Å; F303-D305 VanDerWaalsContact CE1-OD1 3.3Å; F303-D305 WeakPolarHBondContact CE1-OD1 3.32Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 2.94Å; D305-D308 PolarHBondContact O-N 3.3Å
306L89.6Confident94.1Very high116 Ų11655.1 Ų55.161%0.60726%0.262SS*.G310 helixtrans-68-31.4-176.9-176.366.5000113.1H304 L354H304-L306 PolarHBondContact O-N 3.45Å; L306-L354 HydrophobicContact CB-CD1 4.01Å; L306-L354 HydrophobicContact CD2-CD1 4.47Å; L306-L354 HydrophobicContact CD2-CD2 3.53Å
307W90.6Very high94Very high84 Ų8457.3 Ų57.332%0.31827%0.273SS..G310 helixtrans-102.5-3.2-174.7-61.7-16.3000111.9Q237 H276 H304 D305 S309 S346Q237-W307 PolarHBondContact NE2-O 3.08Å; H276-W307 HydrophobicContact CB-CE3 4.36Å; H276-W307 AromaticContact CE1-CE3 3.74Å; H276-W307 AromaticContact CE1-CZ3 3.85Å; H276-W307 AromaticContact CG-CE3 3.82Å; H276-W307 AromaticContact ND1-CE3 3.52Å; H276-W307 AromaticContact ND1-CZ3 3.43Å; H276-W307 WeakPolarHBondContact ND1-CZ3 3.33Å; H304-W307 HydrophobicContact CB-CB 4.43Å; H304-W307 AromaticContact CD2-CE3 3.74Å; H304-W307 AromaticContact CE1-CD1 3.8Å; H304-W307 AromaticContact CE1-CD2 3.31Å; H304-W307 AromaticContact CE1-CE2 3.61Å; H304-W307 AromaticContact CE1-CE3 3.75Å; H304-W307 AromaticContact CE1-CG 3.47Å; H304-W307 VanDerWaalsContact CE1-CG 3.47Å; H304-W307 AromaticContact CE1-NE1 3.85Å; H304-W307 AromaticContact CG-CE3 3.89Å; H304-W307 AromaticContact ND1-CD1 4Å; H304-W307 AromaticContact ND1-CD2 3.57Å; H304-W307 AromaticContact ND1-CE3 3.91Å; H304-W307 AromaticContact ND1-CG 3.38Å; H304-W307 PolarHBondContact ND1-N 3.18Å; H304-W307 AromaticContact NE2-CD2 3.67Å; H304-W307 AromaticContact NE2-CE2 3.93Å; H304-W307 AromaticContact NE2-CE3 3.65Å; H304-W307 AromaticContact NE2-CZ3 3.92Å; H304-W307 PolarHBondContact O-N 3.05Å; D305-W307 VanDerWaalsContact C-N 3.31Å; D305-W307 PolarHBondContact O-N 2.94Å; W307-S309 VanDerWaalsContact C-N 3.27Å; W307-S309 PolarHBondContact O-N 2.77Å; W307-S309 PolarHBondContact O-OG 2.87Å; W307-S346 WeakPolarHBondContact CZ3-OG 3.34Å
308D92.8Very high94.1Very high72 Ų7257.2 Ų57.239%0.38527%0.273SS..THydrogen-bonded Turntrans52.445.8179.5-166.29000112.1K279 F303 H304 D305K279-D308 WeakPolarHBondContact CD-O 3.47Å; K279-D308 WeakPolarHBondContact CD-OD1 3.38Å; K279-D308 WeakPolarHBondContact CE-OD1 3.5Å; K279-D308 VanDerWaalsContact CE-OD2 3.23Å; K279-D308 WeakPolarHBondContact CE-OD2 3.39Å; K279-D308 WeakPolarHBondContact CG-O 3.45Å; K279-D308 IonicContact NZ-OD1 3.17Å; K279-D308 PolarHBondContact NZ-OD1 3.09Å; K279-D308 IonicContact NZ-OD2 2.85Å; K279-D308 PolarHBondContact NZ-OD2 3.14Å; F303-D308 WeakPolarHBondContact CZ-OD1 3.42Å; H304-D308 PolarHBondContact O-N 2.72Å; D305-D308 PolarHBondContact O-N 3.3Å
309S95.9Very high94.4Very high0 Ų053.4 Ų53.40%025%0.252CS..EExtended strand (participates in β ladder)trans-134.3166.1-164-67.40000113.8Q237 H276 F303 H304 W307Q237-S309 PolarHBondContact NE2-OG 2.77Å; Q237-S309 PolarHBondContact OE1-OG 2.91Å; H276-S309 PolarHBondContact CD2-OG 3.23Å; F303-S309 WeakPolarHBondContact CA-O 3.23Å; F303-S309 VanDerWaalsContact CD2-O 3.27Å; F303-S309 WeakPolarHBondContact CD2-O 3.39Å; H304-S309 PolarHBondContact N-O 3.31Å; H304-S309 PolarHBondContact O-N 3.38Å; W307-S309 VanDerWaalsContact C-N 3.27Å; W307-S309 PolarHBondContact O-N 2.77Å; W307-S309 PolarHBondContact O-OG 2.87Å
310R97.4Very high94.8Very high14 Ų1447.4 Ų47.45%0.05322%0.22CC..EExtended strand (participates in β ladder)trans-96.1144.3177.2-61.2-55.6-50.2-79.5-0112.3H276 A277 N286 N292 F296 H297 G302H276-R310 CarbonylContact C-O 3.56Å; H276-R310 VanDerWaalsContact CA-O 3.24Å; H276-R310 WeakPolarHBondContact CA-O 3.34Å; H276-R310 WeakPolarHBondContact CB-O 3.47Å; A277-R310 PolarHBondContact N-O 3.05Å; A277-R310 PolarHBondContact O-N 3.06Å; N286-R310 HydrophobicContact CB-CG 4.21Å; N286-R310 PolarHBondContact OD1-NH1 3.36Å; N292-R310 PolarHBondContact O-NH1 3.13Å; N292-R310 VanDerWaalsContact O-NH1 3.14Å; N292-R310 PolarHBondContact O-NH2 2.88Å; F296-R310 VanDerWaalsContact CB-NH2 3.29Å; F296-R310 HydrophobicContact CD1-CB 3.67Å; F296-R310 HydrophobicContact CD2-CB 4.02Å; F296-R310 HydrophobicContact CD2-CG 4.3Å; F296-R310 HydrophobicContact CE1-CB 3.74Å; F296-R310 HydrophobicContact CE2-CB 4.09Å; F296-R310 HydrophobicContact CE2-CG 4.33Å; F296-R310 HydrophobicContact CG-CB 3.81Å; F296-R310 HydrophobicContact CZ-CB 3.94Å; H297-R310 PolarHBondContact O-NH2 3.49Å; G302-R310 WeakPolarHBondContact O-CA 3.36Å; G302-R310 PolarHBondContact O-NE 3.2Å
311L97.8Very high95.2Very high13 Ų1339.5 Ų39.57%0.06819%0.189CC..  trans-110.3127.3-178.3-65.4173.9000112.2S275 H276 F296 H297 G302 H304 H352S275-L311 WeakPolarHBondContact O-CD2 3.21Å; H276-L311 HydrophobicContact CB-CD2 4.2Å; F296-L311 WeakPolarHBondContact CA-O 3.21Å; F296-L311 VanDerWaalsContact CB-O 3.24Å; F296-L311 WeakPolarHBondContact CB-O 3.3Å; F296-L311 WeakPolarHBondContact CD1-O 3.35Å; H297-L311 PolarHBondContact N-O 3.46Å; G302-L311 PolarHBondContact O-N 3.3Å; H304-L311 HydrophobicContact CB-CD1 4.19Å; H304-L311 HydrophobicContact CB-CD2 4.02Å; H304-L311 HydrophobicContact CB-CG 4.08Å; L311-H352 WeakPolarHBondContact CD1-CE1 3.44Å; L311-H352 WeakPolarHBondContact CD1-NE2 3.36Å
312F98.2Very high95.5Very high1 Ų134 Ų340%0.00417%0.168CC..BIsolated β-bridgetrans-61.5145.8-177.8-73.7-75000112.5F241 H274 A277 L285 Y295 F296 H297 Y314 V319 F322 L323F241-F312 HydrophobicContact CD1-CZ 4.45Å; F241-F312 HydrophobicContact CE1-CE2 4.01Å; F241-F312 AromaticContact CE1-CZ 3.59Å; F241-F312 HydrophobicContact CE1-CZ 3.59Å; F241-F312 HydrophobicContact CE2-CZ 4.18Å; F241-F312 HydrophobicContact CZ-CE2 4.03Å; F241-F312 AromaticContact CZ-CZ 3.46Å; F241-F312 HydrophobicContact CZ-CZ 3.46Å; F241-F312 VanDerWaalsContact CZ-CZ 3.46Å; H274-F312 VanDerWaalsContact O-CD2 3.3Å; H274-F312 WeakPolarHBondContact O-CD2 3.05Å; A277-F312 HydrophobicContact CB-CE2 4.36Å; A277-F312 HydrophobicContact CB-CZ 4.14Å; L285-F312 HydrophobicContact CD2-CE1 3.82Å; L285-F312 HydrophobicContact CD2-CZ 4.26Å; Y295-F312 WeakPolarHBondContact O-CA 3.46Å; Y295-F312 WeakPolarHBondContact O-CD1 3.39Å; F296-F312 HydrophobicContact CD1-CD1 4.14Å; F296-F312 HydrophobicContact CD1-CE1 4.48Å; F296-F312 HydrophobicContact CD1-CG 4.44Å; F296-F312 AromaticContact CE1-CD1 3.91Å; F296-F312 HydrophobicContact CE1-CD1 3.91Å; F296-F312 AromaticContact CE1-CE1 3.81Å; F296-F312 HydrophobicContact CE1-CE1 3.81Å; F296-F312 HydrophobicContact CE1-CG 4.37Å; F296-F312 HydrophobicContact CE1-CZ 4.19Å; H297-F312 PolarHBondContact CD2-O 3.01Å; H297-F312 VanDerWaalsContact CD2-O 3.23Å; H297-F312 PolarHBondContact NE2-O 2.77Å; F312-Y314 HydrophobicContact CB-CD1 4.18Å; F312-Y314 HydrophobicContact CB-CE1 3.72Å; F312-Y314 HydrophobicContact CB-CE2 4.2Å; F312-Y314 HydrophobicContact CG-CE1 4.42Å; F312-Y314 PolarHBondContact O-N 2.95Å; F312-V319 HydrophobicContact CB-CG1 4.29Å; F312-V319 HydrophobicContact CD1-CG1 3.99Å; F312-F322 HydrophobicContact CE1-CE1 4.48Å; F312-L323 HydrophobicContact CD1-CD1 4.4Å; F312-L323 HydrophobicContact CD1-CD2 4.42Å; F312-L323 HydrophobicContact CE1-CD2 4.02Å; F312-L323 HydrophobicContact CE2-CD2 4.23Å; F312-L323 HydrophobicContact CG-CD1 4.28Å; F312-L323 HydrophobicContact CZ-CD2 3.91Å
313N97.7Very high95.8Very high17 Ų1734 Ų349%0.09117%0.168CC..  trans-9389.7167.4-176.2-1.4000109.8Y295 H297 T315 E316 V319Y295-N313 PolarHBondContact O-N 3.42Å; H297-N313 PolarHBondContact CE1-OD1 3Å; N313-T315 PolarHBondContact O-N 3.09Å; N313-T315 WeakPolarHBondContact OD1-CB 3.32Å; N313-T315 PolarHBondContact OD1-N 2.63Å; N313-T315 PolarHBondContact OD1-OG1 2.72Å; N313-E316 HydrophobicContact CB-CG 4.21Å; N313-E316 WeakPolarHBondContact ND2-CG 3.49Å; N313-E316 PolarHBondContact O-N 3.21Å; N313-E316 VanDerWaalsContact O-N 3.15Å; N313-V319 WeakPolarHBondContact O-CB 3.38Å; N313-V319 WeakPolarHBondContact O-CG1 3.4Å
314Y97.5Very high96Very high14 Ų1431 Ų316%0.05516%0.155CC..THydrogen-bonded Turntrans-65.9-8.2-177.7-54.7-74.8000114.3H274 F312 L320 L323 M347 Y377H274-Y314 PolarHBondContact O-OH 3.35Å; F312-Y314 HydrophobicContact CB-CD1 4.18Å; F312-Y314 HydrophobicContact CB-CE1 3.72Å; F312-Y314 HydrophobicContact CB-CE2 4.2Å; F312-Y314 HydrophobicContact CG-CE1 4.42Å; F312-Y314 PolarHBondContact O-N 2.95Å; Y314-L320 WeakPolarHBondContact O-CD2 3.4Å; Y314-L320 WeakPolarHBondContact O-CG 3.32Å; Y314-L323 HydrophobicContact CD1-CD1 3.93Å; Y314-L323 HydrophobicContact CE1-CD1 3.77Å; Y314-M347 HydrophobicContact CE1-CE 4.01Å; Y314-Y377 AromaticContact CD1-CD1 3.84Å; Y314-Y377 HydrophobicContact CD1-CD1 3.84Å; Y314-Y377 AromaticContact CD1-CG 3.8Å; Y314-Y377 HydrophobicContact CD1-CG 3.8Å; Y314-Y377 AromaticContact CE1-CD1 3.86Å; Y314-Y377 HydrophobicContact CE1-CD1 3.86Å; Y314-Y377 HydrophobicContact CE1-CE1 4.34Å; Y314-Y377 HydrophobicContact CE1-CG 4.29Å
315T95.8Very high96.3Very high74 Ų7431 Ų3145%0.45416%0.155SC..THydrogen-bonded Turntrans-79-19.6175.170.60000113.3N313 D373N313-T315 PolarHBondContact O-N 3.09Å; N313-T315 WeakPolarHBondContact OD1-CB 3.32Å; N313-T315 PolarHBondContact OD1-N 2.63Å; N313-T315 PolarHBondContact OD1-OG1 2.72Å; T315-D373 HydrophobicContact CG2-CB 3.78Å; T315-D373 WeakPolarHBondContact CG2-OD1 3.4Å; T315-D373 VanDerWaalsContact CG2-OD2 3.22Å; T315-D373 WeakPolarHBondContact CG2-OD2 3.32Å
316E96Very high96.7Very high82 Ų8226.8 Ų26.838%0.38313%0.133SC..SBendtrans-80.4129.4-176.3-71.3-61.7155.500111.9N313 E318 V319 L320N313-E316 HydrophobicContact CB-CG 4.21Å; N313-E316 WeakPolarHBondContact ND2-CG 3.49Å; N313-E316 PolarHBondContact O-N 3.21Å; N313-E316 VanDerWaalsContact O-N 3.15Å; E316-E318 VanDerWaalsContact C-N 3.3Å; E316-E318 PolarHBondContact O-N 2.86Å; E316-V319 HydrophobicContact CB-CB 3.99Å; E316-V319 HydrophobicContact CB-CG2 3.67Å; E316-V319 WeakPolarHBondContact O-CB 3.34Å; E316-V319 PolarHBondContact O-N 2.87Å; E316-V319 VanDerWaalsContact O-N 3.09Å; E316-L320 PolarHBondContact O-N 3.19Å
317M96.1Very high97.2Very high50 Ų5021.3 Ų21.325%0.24610%0.104CC..Hα-helixtrans-62.3-36.7-176.3-171.861.767.100112.4T44 I45 F55 R321T44-M317 HydrophobicContact CG2-CE 3.77Å; I45-M317 HydrophobicContact CG1-CE 4.29Å; I45-M317 HydrophobicContact CG1-SD 3.86Å; F55-M317 HydrophobicContact CE2-CG 4Å; F55-M317 HydrophobicContact CE2-SD 3.61Å; F55-M317 HydrophobicContact CZ-CG 4.23Å; F55-M317 WeakPolarHBondContact CZ-O 3.19Å; F55-M317 HydrophobicContact CZ-SD 3.54Å; F55-M317 VanDerWaalsContact CZ-SD 3.54Å; M317-R321 WeakPolarHBondContact O-CB 3.33Å; M317-R321 PolarHBondContact O-N 3.11Å
318E97.4Very high97.5Very high16 Ų1617.3 Ų17.38%0.0759%0.089CC..Hα-helixtrans-76-26178-63.5-61147.400112.3Y62 W77 K107 E316 R321 F322Y62-E318 VanDerWaalsContact OH-CD 3.3Å; Y62-E318 PolarHBondContact OH-OE2 3.45Å; W77-E318 HydrophobicContact CD2-CB 3.46Å; W77-E318 VanDerWaalsContact CD2-CB 3.46Å; W77-E318 HydrophobicContact CD2-CG 3.81Å; W77-E318 HydrophobicContact CE3-CB 3.56Å; W77-E318 HydrophobicContact CE3-CG 4.42Å; W77-E318 HydrophobicContact CG-CB 4.04Å; W77-E318 HydrophobicContact CG-CG 3.96Å; W77-E318 HydrophobicContact CH2-CB 3.96Å; W77-E318 HydrophobicContact CZ2-CB 3.87Å; W77-E318 HydrophobicContact CZ2-CG 4.23Å; W77-E318 HydrophobicContact CZ3-CB 3.81Å; K107-E318 WeakPolarHBondContact CE-OE1 3.49Å; K107-E318 IonicContact NZ-OE1 2.9Å; K107-E318 PolarHBondContact NZ-OE1 2.92Å; E316-E318 VanDerWaalsContact C-N 3.3Å; E316-E318 PolarHBondContact O-N 2.86Å; E318-R321 PolarHBondContact O-N 3.42Å; E318-R321 IonicContact OE1-CZ 3.27Å; E318-R321 IonicContact OE1-NE 3.77Å; E318-R321 PolarHBondContact OE1-NE 3.15Å; E318-R321 IonicContact OE1-NH2 3.67Å; E318-R321 PolarHBondContact OE1-NH2 3.33Å; E318-R321 IonicContact OE2-CZ 3.35Å; E318-R321 IonicContact OE2-NE 3.74Å; E318-R321 PolarHBondContact OE2-NE 2.98Å; E318-R321 IonicContact OE2-NH2 2.75Å; E318-F322 VanDerWaalsContact O-CB 3.25Å; E318-F322 WeakPolarHBondContact O-CB 3.48Å; E318-F322 PolarHBondContact O-N 2.92Å
319V98.2Very high97.8Very high0 Ų014.9 Ų14.90%07%0.074CC..Hα-helixtrans-69.4-46169.5177.30000110.3W77 Y295 F312 N313 E316 R321 F322 L323W77-V319 HydrophobicContact CH2-CG2 4.42Å; W77-V319 HydrophobicContact CZ3-CG2 4.24Å; Y295-V319 HydrophobicContact CD1-CG2 4.03Å; Y295-V319 WeakPolarHBondContact O-CG2 3.33Å; F312-V319 HydrophobicContact CB-CG1 4.29Å; F312-V319 HydrophobicContact CD1-CG1 3.99Å; N313-V319 WeakPolarHBondContact O-CB 3.38Å; N313-V319 WeakPolarHBondContact O-CG1 3.4Å; E316-V319 HydrophobicContact CB-CB 3.99Å; E316-V319 HydrophobicContact CB-CG2 3.67Å; E316-V319 WeakPolarHBondContact O-CB 3.34Å; E316-V319 PolarHBondContact O-N 2.87Å; E316-V319 VanDerWaalsContact O-N 3.09Å; V319-R321 VanDerWaalsContact C-N 3.29Å; V319-R321 PolarHBondContact O-N 2.91Å; V319-F322 WeakPolarHBondContact O-CB 3.32Å; V319-F322 PolarHBondContact O-N 3.4Å; V319-F322 VanDerWaalsContact O-N 3.17Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.32Å; V319-L323 WeakPolarHBondContact O-CG 3.37Å; V319-L323 PolarHBondContact O-N 3.01Å
320L98.3Very high98Very high8 Ų814.9 Ų14.94%0.0427%0.074CC..Hα-helixtrans-57.1-44.4172.4-69.2178.5000111.1T41 F55 Y314 E316 F322 L324 Y377 L380T41-L320 HydrophobicContact CG2-CD1 3.83Å; F55-L320 HydrophobicContact CE1-CB 4.18Å; F55-L320 HydrophobicContact CZ-CB 4.05Å; Y314-L320 WeakPolarHBondContact O-CD2 3.4Å; Y314-L320 WeakPolarHBondContact O-CG 3.32Å; E316-L320 PolarHBondContact O-N 3.19Å; L320-F322 VanDerWaalsContact C-N 3.35Å; L320-F322 PolarHBondContact O-N 3Å; L320-L324 HydrophobicContact CB-CD1 4.35Å; L320-L324 WeakPolarHBondContact O-CB 3.31Å; L320-L324 WeakPolarHBondContact O-CD1 3.22Å; L320-L324 WeakPolarHBondContact O-CG 3.18Å; L320-L324 PolarHBondContact O-N 3.4Å; L320-Y377 HydrophobicContact CD2-CD2 3.84Å; L320-Y377 HydrophobicContact CD2-CG 4.4Å; L320-L380 HydrophobicContact CD1-CD1 4.27Å; L320-L380 HydrophobicContact CD2-CD1 4.32Å
321R98.5Very high98Very high2 Ų214.4 Ų14.41%0.0087%0.073CC..Hα-helixtrans-60.8-45.8176.5-164.6-165-54.7-77.6-3.8111.2E49 F55 Y62 M317 E318 V319 S325E49-R321 IonicContact OE1-CZ 3.6Å; E49-R321 IonicContact OE1-NH1 3.31Å; E49-R321 IonicContact OE1-NH2 2.83Å; E49-R321 PolarHBondContact OE1-NH2 3.22Å; E49-R321 IonicContact OE2-CZ 3.97Å; E49-R321 VanDerWaalsContact OE2-CZ 3.27Å; E49-R321 IonicContact OE2-NH1 3.34Å; E49-R321 PolarHBondContact OE2-NH1 2.65Å; E49-R321 IonicContact OE2-NH2 2.83Å; E49-R321 PolarHBondContact OE2-NH2 2.56Å; F55-R321 HydrophobicContact CD2-CB 4.43Å; F55-R321 HydrophobicContact CD2-CG 4.17Å; F55-R321 HydrophobicContact CE1-CB 4.2Å; F55-R321 HydrophobicContact CE2-CB 3.72Å; F55-R321 HydrophobicContact CE2-CG 3.94Å; F55-R321 VanDerWaalsContact CZ-CA 3.5Å; F55-R321 HydrophobicContact CZ-CB 3.59Å; F55-R321 HydrophobicContact CZ-CG 4.18Å; F55-R321 WeakPolarHBondContact O-CG 3.16Å; Y62-R321 VanDerWaalsContact CE2-CD 3.48Å; M317-R321 WeakPolarHBondContact O-CB 3.33Å; M317-R321 PolarHBondContact O-N 3.11Å; E318-R321 PolarHBondContact O-N 3.42Å; E318-R321 IonicContact OE1-CZ 3.27Å; E318-R321 IonicContact OE1-NE 3.77Å; E318-R321 PolarHBondContact OE1-NE 3.15Å; E318-R321 IonicContact OE1-NH2 3.67Å; E318-R321 PolarHBondContact OE1-NH2 3.33Å; E318-R321 IonicContact OE2-CZ 3.35Å; E318-R321 IonicContact OE2-NE 3.74Å; E318-R321 PolarHBondContact OE2-NE 2.98Å; E318-R321 IonicContact OE2-NH2 2.75Å; V319-R321 VanDerWaalsContact C-N 3.29Å; V319-R321 PolarHBondContact O-N 2.91Å; R321-S325 WeakPolarHBondContact O-CB 3.41Å; R321-S325 PolarHBondContact O-N 3.23Å; R321-S325 PolarHBondContact O-OG 2.76Å
322F98.7Very high98Very high0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-59.9-51179.5178.9-99.2000111.8P144 W145 F241 Y242 L285 Y295 F312 E318 V319 L320 N326P144-F322 HydrophobicContact CB-CD2 4.42Å; P144-F322 HydrophobicContact CB-CE2 3.7Å; P144-F322 HydrophobicContact CB-CZ 4.36Å; P144-F322 VanDerWaalsContact O-CE2 3.31Å; P144-F322 WeakPolarHBondContact O-CE2 3.48Å; W145-F322 HydrophobicContact CD2-CD2 4.23Å; W145-F322 HydrophobicContact CD2-CE2 4.48Å; W145-F322 AromaticContact CE2-CD2 3.76Å; W145-F322 HydrophobicContact CH2-CB 4.42Å; W145-F322 HydrophobicContact CH2-CD2 4.21Å; W145-F322 HydrophobicContact CZ2-CB 4.2Å; W145-F322 AromaticContact CZ2-CD2 3.76Å; W145-F322 HydrophobicContact CZ2-CD2 3.76Å; W145-F322 HydrophobicContact CZ2-CG 4.48Å; F241-F322 HydrophobicContact CB-CE1 3.99Å; F241-F322 HydrophobicContact CB-CZ 3.68Å; F241-F322 HydrophobicContact CD1-CE1 4.14Å; F241-F322 AromaticContact CD2-CE1 4Å; F241-F322 HydrophobicContact CD2-CE1 4Å; F241-F322 AromaticContact CD2-CZ 3.87Å; F241-F322 HydrophobicContact CD2-CZ 3.87Å; F241-F322 AromaticContact CG-CE1 3.75Å; F241-F322 HydrophobicContact CG-CE1 3.75Å; F241-F322 AromaticContact CG-CZ 3.79Å; F241-F322 HydrophobicContact CG-CZ 3.79Å; Y242-F322 AromaticContact CD2-CE2 3.98Å; Y242-F322 HydrophobicContact CD2-CE2 3.98Å; Y242-F322 HydrophobicContact CD2-CZ 4.26Å; Y242-F322 AromaticContact CE2-CD2 3.81Å; Y242-F322 HydrophobicContact CE2-CD2 3.81Å; Y242-F322 AromaticContact CE2-CE2 3.49Å; Y242-F322 HydrophobicContact CE2-CE2 3.49Å; Y242-F322 VanDerWaalsContact CE2-CE2 3.49Å; Y242-F322 HydrophobicContact CE2-CG 4.49Å; Y242-F322 AromaticContact CE2-CZ 3.93Å; Y242-F322 HydrophobicContact CE2-CZ 3.93Å; Y242-F322 PolarHBondContact OH-O 3.03Å; L285-F322 HydrophobicContact CD2-CE1 4.03Å; L285-F322 HydrophobicContact CD2-CZ 4.15Å; Y295-F322 HydrophobicContact CD1-CB 4.41Å; Y295-F322 HydrophobicContact CD1-CD1 4.34Å; Y295-F322 HydrophobicContact CD1-CG 4.25Å; Y295-F322 HydrophobicContact CE1-CB 3.89Å; Y295-F322 HydrophobicContact CE1-CD1 4.29Å; Y295-F322 AromaticContact CE1-CD2 3.88Å; Y295-F322 HydrophobicContact CE1-CD2 3.88Å; Y295-F322 HydrophobicContact CE1-CE2 4.47Å; Y295-F322 AromaticContact CE1-CG 3.77Å; Y295-F322 HydrophobicContact CE1-CG 3.77Å; F312-F322 HydrophobicContact CE1-CE1 4.48Å; E318-F322 VanDerWaalsContact O-CB 3.25Å; E318-F322 WeakPolarHBondContact O-CB 3.48Å; E318-F322 PolarHBondContact O-N 2.92Å; V319-F322 WeakPolarHBondContact O-CB 3.32Å; V319-F322 PolarHBondContact O-N 3.4Å; V319-F322 VanDerWaalsContact O-N 3.17Å; L320-F322 VanDerWaalsContact C-N 3.35Å; L320-F322 PolarHBondContact O-N 3Å; F322-N326 WeakPolarHBondContact O-CB 3.37Å; F322-N326 PolarHBondContact O-N 2.85Å
323L98.7Very high97.9Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-74.1-41.5-176.2-60.9176.2000112.5H274 F312 Y314 V319 N326 L327 Y377H274-L323 HydrophobicContact CB-CD2 4.37Å; H274-L323 PolarHBondContact CE1-O 3.16Å; F312-L323 HydrophobicContact CD1-CD1 4.4Å; F312-L323 HydrophobicContact CD1-CD2 4.42Å; F312-L323 HydrophobicContact CE1-CD2 4.02Å; F312-L323 HydrophobicContact CE2-CD2 4.23Å; F312-L323 HydrophobicContact CG-CD1 4.28Å; F312-L323 HydrophobicContact CZ-CD2 3.91Å; Y314-L323 HydrophobicContact CD1-CD1 3.93Å; Y314-L323 HydrophobicContact CE1-CD1 3.77Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.32Å; V319-L323 WeakPolarHBondContact O-CG 3.37Å; V319-L323 PolarHBondContact O-N 3.01Å; L323-N326 WeakPolarHBondContact O-CB 3.43Å; L323-N326 PolarHBondContact O-N 3.04Å; L323-L327 PolarHBondContact O-N 3.46Å; L323-Y377 HydrophobicContact CB-CD2 4.5Å; L323-Y377 HydrophobicContact CB-CE2 3.58Å; L323-Y377 HydrophobicContact CD1-CD2 4.45Å; L323-Y377 HydrophobicContact CD1-CE1 4.43Å; L323-Y377 HydrophobicContact CD1-CE2 4.1Å
324L98.7Very high98Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-71.2-34.1179.1-63.6167.6000111.8M52 F55 T56 L320 N326 L327 R328 Y377 L380 A381 F384M52-L324 HydrophobicContact CE-CD1 4.17Å; F55-L324 HydrophobicContact CD1-CD1 4.26Å; F55-L324 HydrophobicContact CE1-CD1 3.82Å; T56-L324 HydrophobicContact CG2-CB 4.03Å; L320-L324 HydrophobicContact CB-CD1 4.35Å; L320-L324 WeakPolarHBondContact O-CB 3.31Å; L320-L324 WeakPolarHBondContact O-CD1 3.22Å; L320-L324 WeakPolarHBondContact O-CG 3.18Å; L320-L324 PolarHBondContact O-N 3.4Å; L324-N326 VanDerWaalsContact C-N 3.27Å; L324-L327 HydrophobicContact CD2-CD1 4.37Å; L324-R328 PolarHBondContact O-N 2.72Å; L324-Y377 HydrophobicContact CD2-CD2 4.27Å; L324-Y377 HydrophobicContact CD2-CE2 3.8Å; L324-Y377 HydrophobicContact CG-CD2 4.43Å; L324-Y377 HydrophobicContact CG-CE2 4.03Å; L324-L380 HydrophobicContact CD1-CB 4.26Å; L324-L380 HydrophobicContact CD2-CB 4.35Å; L324-A381 HydrophobicContact CD2-CB 3.84Å; L324-F384 HydrophobicContact CB-CE1 4.25Å; L324-F384 HydrophobicContact CD2-CD1 3.78Å; L324-F384 HydrophobicContact CD2-CE1 3.62Å
325S98.8Very high98Very high0 Ų021.9 Ų21.90%011%0.105CC..Hα-helixtrans-68.6-28.3170.9-59.20000112.1F55 T56 G58 Y59 Y242 R321 R328 W329F55-S325 PolarHBondContact O-OG 3.08Å; T56-S325 WeakPolarHBondContact CA-OG 3.2Å; T56-S325 VanDerWaalsContact O-CA 3.27Å; T56-S325 WeakPolarHBondContact O-CA 3.49Å; T56-S325 WeakPolarHBondContact O-CB 3.43Å; T56-S325 PolarHBondContact O-OG 2.97Å; G58-S325 WeakPolarHBondContact CA-OG 3.42Å; G58-S325 PolarHBondContact N-OG 3.21Å; Y59-S325 WeakPolarHBondContact CD1-O 3.42Å; Y242-S325 VanDerWaalsContact OH-CB 3.25Å; Y242-S325 WeakPolarHBondContact OH-CB 3.33Å; R321-S325 WeakPolarHBondContact O-CB 3.41Å; R321-S325 PolarHBondContact O-N 3.23Å; R321-S325 PolarHBondContact O-OG 2.76Å; S325-R328 PolarHBondContact O-N 3.01Å; S325-W329 VanDerWaalsContact O-CB 3.27Å; S325-W329 WeakPolarHBondContact O-CB 3.33Å; S325-W329 PolarHBondContact O-N 3.13Å
326N98.8Very high98.2Very high0 Ų018.4 Ų18.40%08%0.083CC..Hα-helixtrans-67.6-46.1178-173.5-96.2000110.9F241 Y242 H274 F322 L323 L324 R328 W329 W330F241-N326 VanDerWaalsContact C-ND2 3.29Å; F241-N326 PolarHBondContact O-ND2 3.02Å; Y242-N326 HydrophobicContact CE1-CB 4.25Å; Y242-N326 HydrophobicContact CE2-CB 4.01Å; Y242-N326 WeakPolarHBondContact OH-CA 3.47Å; Y242-N326 PolarHBondContact OH-N 3.24Å; H274-N326 PolarHBondContact NE2-OD1 2.65Å; F322-N326 WeakPolarHBondContact O-CB 3.37Å; F322-N326 PolarHBondContact O-N 2.85Å; L323-N326 WeakPolarHBondContact O-CB 3.43Å; L323-N326 PolarHBondContact O-N 3.04Å; L324-N326 VanDerWaalsContact C-N 3.27Å; N326-R328 VanDerWaalsContact C-N 3.32Å; N326-R328 PolarHBondContact O-N 2.69Å; N326-W329 VanDerWaalsContact O-CB 3.31Å; N326-W329 WeakPolarHBondContact O-CB 3.42Å; N326-W329 PolarHBondContact O-N 2.8Å; N326-W329 VanDerWaalsContact O-N 3.13Å; N326-W330 PolarHBondContact O-N 3.48Å; N326-W330 VanDerWaalsContact O-N 3.12Å; N326-W330 VanDerWaalsContact OD1-CD1 3.23Å; N326-W330 PolarHBondContact OD1-NE1 2.92Å
327L98.8Very high98.3Very high0 Ų014.9 Ų14.90%07%0.068CC..Hα-helixtrans-55.6-48.7172.9-65.5172.5000111.1V272 L323 L324 W329 W330 V331 F339 F341 A381 F384 L385V272-L327 HydrophobicContact CB-CD2 4.5Å; V272-L327 HydrophobicContact CG1-CD2 3.93Å; V272-L327 HydrophobicContact CG2-CD2 4.04Å; L323-L327 PolarHBondContact O-N 3.46Å; L324-L327 HydrophobicContact CD2-CD1 4.37Å; L327-W329 VanDerWaalsContact C-N 3.33Å; L327-W329 PolarHBondContact O-N 3.45Å; L327-W330 PolarHBondContact O-N 2.86Å; L327-V331 WeakPolarHBondContact O-CG2 3.32Å; L327-V331 PolarHBondContact O-N 2.96Å; L327-F339 HydrophobicContact CB-CE2 4.27Å; L327-F339 HydrophobicContact CB-CZ 4.49Å; L327-F339 HydrophobicContact CD2-CD2 3.95Å; L327-F339 HydrophobicContact CD2-CE2 3.99Å; L327-F339 HydrophobicContact CD2-CG 4.21Å; L327-F339 HydrophobicContact CD2-CZ 4.3Å; L327-F339 WeakPolarHBondContact O-CZ 3.31Å; L327-F341 HydrophobicContact CD1-CE1 4.22Å; L327-F341 HydrophobicContact CD1-CZ 3.82Å; L327-F341 HydrophobicContact CD2-CE1 4.02Å; L327-F341 HydrophobicContact CD2-CE2 4.32Å; L327-F341 HydrophobicContact CD2-CZ 3.53Å; L327-F341 HydrophobicContact CG-CZ 4.33Å; L327-A381 HydrophobicContact CD1-CB 3.67Å; L327-F384 HydrophobicContact CB-CE1 4.22Å; L327-F384 HydrophobicContact CB-CZ 3.77Å; L327-F384 HydrophobicContact CD1-CE1 3.88Å; L327-F384 HydrophobicContact CD1-CZ 4.28Å; L327-L385 HydrophobicContact CB-CD2 4.31Å; L327-L385 HydrophobicContact CD1-CD1 4.18Å
328R98.6Very high98.4Very high0 Ų012.5 Ų12.50%06%0.056CC..Hα-helixtrans-64.8-36177.8-174.8173.7-177167.5-3.5113E53 T56 R57 Y59 L324 S325 N326 V331 E332 F384 K388E53-R328 PolarHBondContact O-NH1 3.25Å; E53-R328 IonicContact OE1-CZ 3.54Å; E53-R328 IonicContact OE1-NH1 3.4Å; E53-R328 PolarHBondContact OE1-NH1 2.65Å; E53-R328 IonicContact OE1-NH2 3.83Å; E53-R328 PolarHBondContact OE1-NH2 2.66Å; E53-R328 IonicContact OE2-CZ 3.65Å; E53-R328 IonicContact OE2-NH1 3.39Å; E53-R328 PolarHBondContact OE2-NH1 3.29Å; E53-R328 IonicContact OE2-NH2 3.1Å; T56-R328 VanDerWaalsContact O-CD 3.31Å; T56-R328 WeakPolarHBondContact O-CD 3.32Å; T56-R328 WeakPolarHBondContact OG1-CD 3.4Å; T56-R328 PolarHBondContact OG1-NH1 3.16Å; R57-R328 VanDerWaalsContact CG-CZ 3.48Å; Y59-R328 HydrophobicContact CE1-CB 4.12Å; Y59-R328 HydrophobicContact CE1-CG 4.03Å; Y59-R328 WeakPolarHBondContact OH-CG 3.2Å; L324-R328 PolarHBondContact O-N 2.72Å; S325-R328 PolarHBondContact O-N 3.01Å; N326-R328 VanDerWaalsContact C-N 3.32Å; N326-R328 PolarHBondContact O-N 2.69Å; R328-V331 PolarHBondContact O-N 2.83Å; R328-E332 HydrophobicContact CG-CG 3.97Å; R328-E332 IonicContact CZ-OE1 2.8Å; R328-E332 VanDerWaalsContact NE-CD 3.32Å; R328-E332 IonicContact NE-OE1 2.96Å; R328-E332 PolarHBondContact NE-OE1 3.22Å; R328-E332 IonicContact NE-OE2 2.94Å; R328-E332 IonicContact NH2-OE1 3.78Å; R328-E332 PolarHBondContact NH2-OE1 3.27Å; R328-E332 WeakPolarHBondContact O-CB 3.36Å; R328-E332 PolarHBondContact O-N 2.99Å; R328-F384 HydrophobicContact CB-CE2 4.34Å; R328-K388 VanDerWaalsContact NH2-NZ 3.11Å
329W98.5Very high98.5Very high21 Ų2111.8 Ų11.88%0.085%0.052CC..Hα-helixtrans-57.5-48.8177166.6-100.5000111.4Y59 T147 Y242 S325 N326 L327 V331 E332 K333 Y334Y59-W329 HydrophobicContact CD1-CB 3.8Å; Y59-W329 HydrophobicContact CD1-CE3 4.13Å; Y59-W329 AromaticContact CD2-CE3 3.7Å; Y59-W329 HydrophobicContact CD2-CE3 3.7Å; Y59-W329 HydrophobicContact CD2-CZ3 4.1Å; Y59-W329 HydrophobicContact CE1-CB 4.08Å; Y59-W329 HydrophobicContact CE2-CE3 4.33Å; Y59-W329 HydrophobicContact CG-CB 4.42Å; Y59-W329 AromaticContact CG-CE3 3.59Å; Y59-W329 HydrophobicContact CG-CE3 3.59Å; Y59-W329 HydrophobicContact CG-CZ3 4.29Å; T147-W329 HydrophobicContact CG2-CH2 3.5Å; T147-W329 VanDerWaalsContact CG2-CH2 3.5Å; T147-W329 HydrophobicContact CG2-CZ2 3.64Å; T147-W329 HydrophobicContact CG2-CZ3 4.37Å; Y242-W329 HydrophobicContact CD1-CB 3.85Å; Y242-W329 AromaticContact CD1-CD1 3.65Å; Y242-W329 AromaticContact CD1-CD2 3.77Å; Y242-W329 HydrophobicContact CD1-CD2 3.77Å; Y242-W329 HydrophobicContact CD1-CE3 4.36Å; Y242-W329 AromaticContact CD1-CG 3.5Å; Y242-W329 HydrophobicContact CD1-CG 3.5Å; Y242-W329 VanDerWaalsContact CD1-CG 3.5Å; Y242-W329 AromaticContact CD1-NE1 3.98Å; Y242-W329 HydrophobicContact CE1-CB 3.7Å; Y242-W329 HydrophobicContact CE1-CD2 4.37Å; Y242-W329 AromaticContact CE1-CG 3.89Å; Y242-W329 HydrophobicContact CE1-CG 3.89Å; Y242-W329 PolarHBondContact O-NE1 2.71Å; S325-W329 VanDerWaalsContact O-CB 3.27Å; S325-W329 WeakPolarHBondContact O-CB 3.33Å; S325-W329 PolarHBondContact O-N 3.13Å; N326-W329 VanDerWaalsContact O-CB 3.31Å; N326-W329 WeakPolarHBondContact O-CB 3.42Å; N326-W329 PolarHBondContact O-N 2.8Å; N326-W329 VanDerWaalsContact O-N 3.13Å; L327-W329 VanDerWaalsContact C-N 3.33Å; L327-W329 PolarHBondContact O-N 3.45Å; W329-V331 PolarHBondContact O-N 2.8Å; W329-E332 PolarHBondContact O-N 2.82Å; W329-K333 HydrophobicContact CD2-CB 4.37Å; W329-K333 HydrophobicContact CD2-CG 3.75Å; W329-K333 HydrophobicContact CE3-CB 4.45Å; W329-K333 HydrophobicContact CE3-CD 4.29Å; W329-K333 HydrophobicContact CE3-CG 3.4Å; W329-K333 VanDerWaalsContact CE3-CG 3.4Å; W329-K333 HydrophobicContact CH2-CG 3.92Å; W329-K333 HydrophobicContact CZ2-CG 4.24Å; W329-K333 HydrophobicContact CZ3-CD 4.06Å; W329-K333 HydrophobicContact CZ3-CG 3.52Å; W329-K333 VanDerWaalsContact O-CB 3.28Å; W329-K333 WeakPolarHBondContact O-CB 3.22Å; W329-K333 WeakPolarHBondContact O-CG 3.47Å; W329-K333 PolarHBondContact O-N 3.5Å; W329-Y334 AromaticContact CE2-CE2 3.84Å; W329-Y334 HydrophobicContact CZ2-CE2 4.02Å; W329-Y334 AromaticContact NE1-CE2 3.54Å
330W98.7Very high98.5Very high0 Ų011.9 Ų11.90%05%0.053CC..Hα-helixtrans-64.4-40178.6-66.9119.6000112.6I225 M226 F241 P244 L254 L270 N326 L327 Y334 K335 F336 F339I225-W330 HydrophobicContact CG2-CH2 4.13Å; I225-W330 HydrophobicContact CG2-CZ3 4.06Å; M226-W330 HydrophobicContact CG-CZ2 3.88Å; F241-W330 WeakPolarHBondContact O-CZ2 3.39Å; F241-W330 PolarHBondContact O-NE1 2.78Å; P244-W330 HydrophobicContact CB-CH2 4.46Å; P244-W330 HydrophobicContact CG-CH2 4.03Å; P244-W330 HydrophobicContact CG-CZ3 4.05Å; L254-W330 HydrophobicContact CD2-CZ3 4.16Å; L270-W330 HydrophobicContact CD2-CB 3.72Å; L270-W330 VanDerWaalsContact CD2-CD1 3.49Å; L270-W330 HydrophobicContact CD2-CD2 3.46Å; L270-W330 VanDerWaalsContact CD2-CD2 3.46Å; L270-W330 HydrophobicContact CD2-CE3 4.05Å; L270-W330 HydrophobicContact CD2-CG 3.28Å; N326-W330 PolarHBondContact O-N 3.48Å; N326-W330 VanDerWaalsContact O-N 3.12Å; N326-W330 VanDerWaalsContact OD1-CD1 3.23Å; N326-W330 PolarHBondContact OD1-NE1 2.92Å; L327-W330 PolarHBondContact O-N 2.86Å; W330-Y334 HydrophobicContact CD2-CD2 4.45Å; W330-Y334 AromaticContact CE3-CD2 3.4Å; W330-Y334 HydrophobicContact CE3-CD2 3.4Å; W330-Y334 VanDerWaalsContact CE3-CD2 3.4Å; W330-Y334 AromaticContact CE3-CE2 3.85Å; W330-Y334 HydrophobicContact CE3-CE2 3.85Å; W330-Y334 AromaticContact CE3-CG 3.94Å; W330-Y334 HydrophobicContact CE3-CG 3.94Å; W330-Y334 AromaticContact CZ3-CD2 3.65Å; W330-Y334 HydrophobicContact CZ3-CD2 3.65Å; W330-Y334 AromaticContact CZ3-CE2 3.68Å; W330-Y334 HydrophobicContact CZ3-CE2 3.68Å; W330-Y334 HydrophobicContact CZ3-CG 4.1Å; W330-Y334 WeakPolarHBondContact O-CB 3.07Å; W330-Y334 PolarHBondContact O-N 3.28Å; W330-K335 PolarHBondContact O-N 3.23Å; W330-F336 HydrophobicContact CB-CD2 4.05Å; W330-F336 HydrophobicContact CE3-CD2 4.14Å; W330-F336 AromaticContact CE3-CE2 3.78Å; W330-F336 HydrophobicContact CE3-CE2 3.78Å; W330-F336 HydrophobicContact CZ3-CE2 4.32Å; W330-F336 PolarHBondContact O-N 2.92Å; W330-F339 HydrophobicContact CB-CE1 3.81Å; W330-F339 HydrophobicContact CB-CZ 4.09Å
331V98.4Very high98.5Very high5 Ų511.5 Ų11.53%0.035%0.051CC..Hα-helixtrans-67.8-47.8174.6-176.20000112.2L327 R328 W329 K335 F339 L385 Y389 I392L327-V331 WeakPolarHBondContact O-CG2 3.32Å; L327-V331 PolarHBondContact O-N 2.96Å; R328-V331 PolarHBondContact O-N 2.83Å; W329-V331 PolarHBondContact O-N 2.8Å; V331-K335 WeakPolarHBondContact O-CA 3.38Å; V331-K335 PolarHBondContact O-N 2.81Å; V331-K335 VanDerWaalsContact O-N 3.13Å; V331-F339 HydrophobicContact CG2-CE2 3.75Å; V331-F339 HydrophobicContact CG2-CZ 3.51Å; V331-L385 HydrophobicContact CG2-CD2 4.43Å; V331-Y389 HydrophobicContact CB-CE2 4.03Å; V331-Y389 HydrophobicContact CG1-CD1 3.98Å; V331-Y389 HydrophobicContact CG1-CD2 3.98Å; V331-Y389 HydrophobicContact CG1-CE1 3.76Å; V331-Y389 HydrophobicContact CG1-CE2 3.75Å; V331-Y389 HydrophobicContact CG1-CG 4.09Å; V331-Y389 HydrophobicContact CG2-CD2 4.37Å; V331-Y389 HydrophobicContact CG2-CE2 4.19Å; V331-I392 HydrophobicContact CG2-CD1 4.04Å
332E97.4Very high98.5Very high42 Ų4211.5 Ų11.520%0.1965%0.051CC..Hα-helixtrans-77.7-41.4-172.1-73.4-160.317400113.2R57 Y59 R328 W329 Y389R57-E332 IonicContact NE-OE2 2.75Å; R57-E332 IonicContact NH2-OE1 3.55Å; R57-E332 IonicContact NH2-OE2 3.86Å; Y59-E332 VanDerWaalsContact OH-CD 3.24Å; Y59-E332 PolarHBondContact OH-OE2 3.11Å; R328-E332 HydrophobicContact CG-CG 3.97Å; R328-E332 IonicContact CZ-OE1 2.8Å; R328-E332 VanDerWaalsContact NE-CD 3.32Å; R328-E332 IonicContact NE-OE1 2.96Å; R328-E332 PolarHBondContact NE-OE1 3.22Å; R328-E332 IonicContact NE-OE2 2.94Å; R328-E332 IonicContact NH2-OE1 3.78Å; R328-E332 PolarHBondContact NH2-OE1 3.27Å; R328-E332 WeakPolarHBondContact O-CB 3.36Å; R328-E332 PolarHBondContact O-N 2.99Å; W329-E332 PolarHBondContact O-N 2.82Å; E332-Y389 WeakPolarHBondContact CG-OH 3.31Å; E332-Y389 PolarHBondContact OE1-OH 3.01Å
333K97.3Very high98.3Very high77 Ų7711.9 Ų11.934%0.3356%0.055SC..Hα-helixtrans-88.6-32.9-173.4-58.9-56-175.8-173.90113.8K255 W329K255-K333 WeakPolarHBondContact CE-O 3.45Å; W329-K333 HydrophobicContact CD2-CB 4.37Å; W329-K333 HydrophobicContact CD2-CG 3.75Å; W329-K333 HydrophobicContact CE3-CB 4.45Å; W329-K333 HydrophobicContact CE3-CD 4.29Å; W329-K333 HydrophobicContact CE3-CG 3.4Å; W329-K333 VanDerWaalsContact CE3-CG 3.4Å; W329-K333 HydrophobicContact CH2-CG 3.92Å; W329-K333 HydrophobicContact CZ2-CG 4.24Å; W329-K333 HydrophobicContact CZ3-CD 4.06Å; W329-K333 HydrophobicContact CZ3-CG 3.52Å; W329-K333 VanDerWaalsContact O-CB 3.28Å; W329-K333 WeakPolarHBondContact O-CB 3.22Å; W329-K333 WeakPolarHBondContact O-CG 3.47Å; W329-K333 PolarHBondContact O-N 3.5Å
334Y98.5Very high98.2Very high6 Ų611.9 Ų11.92%0.0246%0.055CC..Hα-helixtrans-113.2-10-176.7-63.3-86.7000113.2F171 P244 P251 L254 K255 I258 W329 W330 F336F171-Y334 VanDerWaalsContact CZ-O 3.31Å; F171-Y334 WeakPolarHBondContact CZ-O 3.35Å; P244-Y334 WeakPolarHBondContact CD-OH 3.25Å; P244-Y334 HydrophobicContact CG-CE1 3.65Å; P244-Y334 HydrophobicContact CG-CE2 4.3Å; P244-Y334 VanDerWaalsContact CG-CZ 3.41Å; P244-Y334 WeakPolarHBondContact CG-OH 3.41Å; P251-Y334 HydrophobicContact CB-CE1 4.25Å; P251-Y334 WeakPolarHBondContact CB-OH 3.31Å; L254-Y334 HydrophobicContact CB-CD1 4.24Å; L254-Y334 HydrophobicContact CB-CE1 4.28Å; L254-Y334 HydrophobicContact CD2-CD1 3.58Å; L254-Y334 HydrophobicContact CD2-CE1 3.78Å; L254-Y334 HydrophobicContact CD2-CG 4.3Å; L254-Y334 HydrophobicContact CG-CD1 3.8Å; L254-Y334 HydrophobicContact CG-CE1 4.21Å; K255-Y334 HydrophobicContact CG-CD1 3.84Å; K255-Y334 HydrophobicContact CG-CE1 4.17Å; I258-Y334 WeakPolarHBondContact CD1-O 3.29Å; I258-Y334 WeakPolarHBondContact CG2-O 3.5Å; W329-Y334 AromaticContact CE2-CE2 3.84Å; W329-Y334 HydrophobicContact CZ2-CE2 4.02Å; W329-Y334 AromaticContact NE1-CE2 3.54Å; W330-Y334 HydrophobicContact CD2-CD2 4.45Å; W330-Y334 AromaticContact CE3-CD2 3.4Å; W330-Y334 HydrophobicContact CE3-CD2 3.4Å; W330-Y334 VanDerWaalsContact CE3-CD2 3.4Å; W330-Y334 AromaticContact CE3-CE2 3.85Å; W330-Y334 HydrophobicContact CE3-CE2 3.85Å; W330-Y334 AromaticContact CE3-CG 3.94Å; W330-Y334 HydrophobicContact CE3-CG 3.94Å; W330-Y334 AromaticContact CZ3-CD2 3.65Å; W330-Y334 HydrophobicContact CZ3-CD2 3.65Å; W330-Y334 AromaticContact CZ3-CE2 3.68Å; W330-Y334 HydrophobicContact CZ3-CE2 3.68Å; W330-Y334 HydrophobicContact CZ3-CG 4.1Å; W330-Y334 WeakPolarHBondContact O-CB 3.07Å; W330-Y334 PolarHBondContact O-N 3.28Å; Y334-F336 VanDerWaalsContact C-N 3.29Å; Y334-F336 HydrophobicContact CG-CE2 4.49Å; Y334-F336 PolarHBondContact O-N 3.27Å
335K98.3Very high98.1Very high77 Ų7712.5 Ų12.534%0.3356%0.059SC..  trans67.320.9176.8-54.1-63.8-174.5-176.50114.9F171 K175 I258 H262 W330 V331 D337F171-K335 HydrophobicContact CD1-CB 4.28Å; F171-K335 HydrophobicContact CD1-CG 3.77Å; F171-K335 HydrophobicContact CD2-CG 3.81Å; F171-K335 HydrophobicContact CE1-CB 3.82Å; F171-K335 HydrophobicContact CE1-CG 3.6Å; F171-K335 HydrophobicContact CE2-CG 3.62Å; F171-K335 HydrophobicContact CG-CG 3.88Å; F171-K335 HydrophobicContact CZ-CB 3.97Å; F171-K335 HydrophobicContact CZ-CG 3.52Å; K175-K335 VanDerWaalsContact CE-O 3.32Å; K175-K335 WeakPolarHBondContact CE-O 3.33Å; K175-K335 PolarHBondContact NZ-O 2.86Å; I258-K335 HydrophobicContact CG2-CB 4.31Å; H262-K335 PolarHBondContact CE1-O 2.91Å; H262-K335 VanDerWaalsContact CE1-O 3.25Å; W330-K335 PolarHBondContact O-N 3.23Å; V331-K335 WeakPolarHBondContact O-CA 3.38Å; V331-K335 PolarHBondContact O-N 2.81Å; V331-K335 VanDerWaalsContact O-N 3.13Å; K335-D337 PolarHBondContact O-N 3.13Å
336F98.7Very high97.9Very high0 Ų012.7 Ų12.70%06%0.06CC..  trans-50.7139.4167.5-76.7-76.5000111.7K175 L222 I225 L254 I258 V268 L270 W330 Y334 F339K175-F336 VanDerWaalsContact NZ-C 3.28Å; K175-F336 PolarHBondContact NZ-O 3.17Å; L222-F336 HydrophobicContact CB-CE1 4.43Å; L222-F336 HydrophobicContact CD1-CE1 4.12Å; L222-F336 HydrophobicContact CD1-CZ 4.45Å; I225-F336 HydrophobicContact CG2-CZ 4.3Å; L254-F336 HydrophobicContact CD1-CZ 4.42Å; L254-F336 HydrophobicContact CD2-CE2 4.44Å; I258-F336 HydrophobicContact CD1-CD1 4.24Å; I258-F336 HydrophobicContact CD1-CD2 3.93Å; I258-F336 HydrophobicContact CD1-CE1 3.94Å; I258-F336 HydrophobicContact CD1-CE2 3.6Å; I258-F336 HydrophobicContact CD1-CG 4.24Å; I258-F336 HydrophobicContact CD1-CZ 3.61Å; I258-F336 HydrophobicContact CG1-CE1 4.49Å; I258-F336 HydrophobicContact CG1-CZ 4.5Å; V268-F336 HydrophobicContact CB-CD1 4.29Å; V268-F336 HydrophobicContact CG1-CD1 3.86Å; V268-F336 HydrophobicContact CG1-CE1 3.69Å; L270-F336 HydrophobicContact CB-CD1 3.59Å; L270-F336 HydrophobicContact CB-CD2 4.16Å; L270-F336 HydrophobicContact CB-CE1 3.66Å; L270-F336 HydrophobicContact CB-CE2 4.23Å; L270-F336 HydrophobicContact CB-CG 3.84Å; L270-F336 HydrophobicContact CB-CZ 3.98Å; L270-F336 HydrophobicContact CD1-CE1 4.44Å; L270-F336 HydrophobicContact CD1-CE2 4.43Å; L270-F336 HydrophobicContact CD1-CZ 4.09Å; L270-F336 HydrophobicContact CD2-CD2 4.24Å; L270-F336 HydrophobicContact CD2-CE2 4.2Å; L270-F336 HydrophobicContact CG-CZ 4.46Å; W330-F336 HydrophobicContact CB-CD2 4.05Å; W330-F336 HydrophobicContact CE3-CD2 4.14Å; W330-F336 AromaticContact CE3-CE2 3.78Å; W330-F336 HydrophobicContact CE3-CE2 3.78Å; W330-F336 HydrophobicContact CZ3-CE2 4.32Å; W330-F336 PolarHBondContact O-N 2.92Å; Y334-F336 VanDerWaalsContact C-N 3.29Å; Y334-F336 HydrophobicContact CG-CE2 4.49Å; Y334-F336 PolarHBondContact O-N 3.27Å; F336-F339 HydrophobicContact CB-CE1 4.47Å
337D98.7Very high97.8Very high9 Ų913 Ų135%0.0486%0.061CC..  trans-94.50.6-175.3-56.4-59000112.9K175 H262 I267 V268 K335 I392 V393K175-D337 WeakPolarHBondContact CG-OD1 3.32Å; K175-D337 IonicContact NZ-OD1 3.81Å; K175-D337 PolarHBondContact NZ-OD1 2.64Å; H262-D337 IonicContact CD2-OD2 3.82Å; H262-D337 IonicContact CE1-OD1 3.01Å; H262-D337 IonicContact CE1-OD2 2.83Å; H262-D337 IonicContact NE2-OD1 3.64Å; H262-D337 IonicContact NE2-OD2 2.63Å; H262-D337 PolarHBondContact NE2-OD2 2.82Å; I267-D337 WeakPolarHBondContact CA-OD2 3.47Å; I267-D337 HydrophobicContact CB-CB 3.75Å; I267-D337 HydrophobicContact CG2-CB 4.09Å; V268-D337 PolarHBondContact N-OD2 2.62Å; V268-D337 PolarHBondContact O-N 3.2Å; K335-D337 PolarHBondContact O-N 3.13Å; D337-I392 WeakPolarHBondContact O-CA 3.46Å; D337-I392 VanDerWaalsContact O-CG1 3.28Å; D337-I392 WeakPolarHBondContact O-CG1 3.48Å; D337-V393 PolarHBondContact O-N 2.56Å; D337-V393 VanDerWaalsContact O-N 3.11Å
338G98.7Very high97.7Very high0 Ų013 Ų130%06%0.062CC..EExtended strand (participates in β ladder)trans164.6-173.9-178.600000112.7L269 L270 V393L269-G338 WeakPolarHBondContact CA-O 3.37Å; L270-G338 PolarHBondContact N-O 3.11Å; G338-V393 CarbonylContact C-O 3.52Å; G338-V393 WeakPolarHBondContact CA-O 3.08Å
339F98.8Very high97.6Very high0 Ų013.1 Ų13.10%06%0.062CC..EExtended strand (participates in β ladder)trans-141.6143.8-170.9-55.7-65000111.4L270 V272 L327 W330 V331 F336 F341 L385 I392 V393 T394 I395L270-F339 HydrophobicContact CB-CD1 3.85Å; L270-F339 HydrophobicContact CB-CE1 4.13Å; L270-F339 HydrophobicContact CD2-CD1 4.2Å; L270-F339 HydrophobicContact CD2-CE1 3.96Å; L270-F339 HydrophobicContact CG-CD1 4.28Å; L270-F339 HydrophobicContact CG-CE1 4.48Å; L270-F339 CarbonylContact O-C 3.52Å; L270-F339 WeakPolarHBondContact O-CA 3.4Å; V272-F339 HydrophobicContact CG2-CB 3.9Å; V272-F339 HydrophobicContact CG2-CD1 3.28Å; V272-F339 HydrophobicContact CG2-CE1 4Å; V272-F339 HydrophobicContact CG2-CG 3.76Å; L327-F339 HydrophobicContact CB-CE2 4.27Å; L327-F339 HydrophobicContact CB-CZ 4.49Å; L327-F339 HydrophobicContact CD2-CD2 3.95Å; L327-F339 HydrophobicContact CD2-CE2 3.99Å; L327-F339 HydrophobicContact CD2-CG 4.21Å; L327-F339 HydrophobicContact CD2-CZ 4.3Å; L327-F339 WeakPolarHBondContact O-CZ 3.31Å; W330-F339 HydrophobicContact CB-CE1 3.81Å; W330-F339 HydrophobicContact CB-CZ 4.09Å; V331-F339 HydrophobicContact CG2-CE2 3.75Å; V331-F339 HydrophobicContact CG2-CZ 3.51Å; F336-F339 HydrophobicContact CB-CE1 4.47Å; F339-F341 HydrophobicContact CB-CD2 3.96Å; F339-F341 HydrophobicContact CB-CE2 3.68Å; F339-F341 HydrophobicContact CD2-CE2 4.35Å; F339-F341 HydrophobicContact CG-CE2 4.33Å; F339-L385 HydrophobicContact CD2-CD1 3.82Å; F339-L385 HydrophobicContact CE2-CD1 3.94Å; F339-L385 HydrophobicContact CE2-CD2 3.91Å; F339-I392 HydrophobicContact CD2-CD1 4.16Å; F339-I392 HydrophobicContact CE2-CD1 3.84Å; F339-V393 PolarHBondContact N-O 3.33Å; F339-T394 CarbonylContact O-C 3.57Å; F339-T394 WeakPolarHBondContact O-CA 3.29Å; F339-I395 PolarHBondContact O-N 3.45Å
340R98.8Very high97.3Very high2 Ų216 Ų161%0.0088%0.076CC..EExtended strand (participates in β ladder)trans-97.7125.7152.6-176.2177.564.7-164.6-1.9107.7E186 L270 D271 V272 D342 I395E186-R340 IonicContact OE1-CZ 3.51Å; E186-R340 VanDerWaalsContact OE1-CZ 3.28Å; E186-R340 IonicContact OE1-NH1 3.77Å; E186-R340 PolarHBondContact OE1-NH1 3.1Å; E186-R340 IonicContact OE1-NH2 3.8Å; E186-R340 PolarHBondContact OE1-NH2 3.13Å; L270-R340 PolarHBondContact O-N 3.48Å; D271-R340 IonicContact OD1-CZ 3.06Å; D271-R340 IonicContact OD1-NE 2.78Å; D271-R340 PolarHBondContact OD1-NE 3.06Å; D271-R340 IonicContact OD1-NH2 2.84Å; D271-R340 PolarHBondContact OD1-NH2 3.15Å; D271-R340 VanDerWaalsContact OD1-NH2 3.09Å; D271-R340 IonicContact OD2-CZ 3.2Å; D271-R340 IonicContact OD2-NE 3.82Å; D271-R340 IonicContact OD2-NH2 3.33Å; D271-R340 PolarHBondContact OD2-NH2 3.45Å; V272-R340 PolarHBondContact N-O 2.68Å; R340-D342 WeakPolarHBondContact CD-OD1 3.38Å; R340-D342 VanDerWaalsContact CG-OD1 3.31Å; R340-D342 WeakPolarHBondContact CG-OD1 3.43Å; R340-D342 IonicContact CZ-OD1 2.79Å; R340-D342 IonicContact NE-OD1 2.78Å; R340-D342 PolarHBondContact NE-OD1 3.38Å; R340-I395 CarbonylContact C-O 3.43Å; R340-I395 WeakPolarHBondContact CA-O 3.45Å; R340-I395 HydrophobicContact CB-CB 4.31Å; R340-I395 HydrophobicContact CG-CB 4.28Å; R340-I395 HydrophobicContact CG-CG2 4.34Å
341F98.7Very high96.9Very high1 Ų117.3 Ų17.30%0.0049%0.085CC..EExtended strand (participates in β ladder)trans-91.5117.3172.6-75.6-110.1000108V272 L327 F339 V344 L378 A381 T394 I395 E397 F416V272-F341 HydrophobicContact CG1-CD1 4.4Å; V272-F341 HydrophobicContact CG1-CE1 4.33Å; L327-F341 HydrophobicContact CD1-CE1 4.22Å; L327-F341 HydrophobicContact CD1-CZ 3.82Å; L327-F341 HydrophobicContact CD2-CE1 4.02Å; L327-F341 HydrophobicContact CD2-CE2 4.32Å; L327-F341 HydrophobicContact CD2-CZ 3.53Å; L327-F341 HydrophobicContact CG-CZ 4.33Å; F339-F341 HydrophobicContact CB-CD2 3.96Å; F339-F341 HydrophobicContact CB-CE2 3.68Å; F339-F341 HydrophobicContact CD2-CE2 4.35Å; F339-F341 HydrophobicContact CG-CE2 4.33Å; F341-V344 HydrophobicContact CB-CG2 3.72Å; F341-V344 VanDerWaalsContact O-CG2 3.31Å; F341-V344 WeakPolarHBondContact O-CG2 3.39Å; F341-L378 HydrophobicContact CD1-CD2 4.05Å; F341-L378 HydrophobicContact CE1-CD2 4.33Å; F341-A381 HydrophobicContact CZ-CB 4.38Å; F341-T394 HydrophobicContact CE2-CG2 4.26Å; F341-I395 PolarHBondContact N-O 3.39Å; F341-E397 WeakPolarHBondContact O-CB 3.34Å; F341-E397 PolarHBondContact O-N 2.7Å; F341-F416 HydrophobicContact CB-CE1 3.88Å; F341-F416 HydrophobicContact CB-CZ 4.02Å; F341-F416 AromaticContact CD2-CE1 3.57Å; F341-F416 HydrophobicContact CD2-CE1 3.57Å; F341-F416 HydrophobicContact CD2-CZ 4.22Å; F341-F416 HydrophobicContact CE2-CE1 4.23Å; F341-F416 AromaticContact CG-CE1 3.81Å; F341-F416 HydrophobicContact CG-CE1 3.81Å; F341-F416 HydrophobicContact CG-CZ 4.04Å
342D97.3Very high96.5Very high1 Ų119.1 Ų19.11%0.0059%0.093CC..THydrogen-bonded Turntrans-93.9143.7-174.2-59.3-32.9000111.7Y236 D271 V272 I273 S275 R340Y236-D342 HydrophobicContact CD1-CB 4.45Å; Y236-D342 HydrophobicContact CE1-CB 3.97Å; D271-D342 VanDerWaalsContact CB-OD2 3.3Å; D271-D342 WeakPolarHBondContact CB-OD2 3.36Å; V272-D342 PolarHBondContact O-N 3.13Å; V272-D342 VanDerWaalsContact O-N 3.14Å; I273-D342 HydrophobicContact CG1-CB 4.48Å; S275-D342 VanDerWaalsContact CB-O 3.3Å; S275-D342 WeakPolarHBondContact CB-O 3.37Å; S275-D342 PolarHBondContact OG-O 3.18Å; R340-D342 WeakPolarHBondContact CD-OD1 3.38Å; R340-D342 VanDerWaalsContact CG-OD1 3.31Å; R340-D342 WeakPolarHBondContact CG-OD1 3.43Å; R340-D342 IonicContact CZ-OD1 2.79Å; R340-D342 IonicContact NE-OD1 2.78Å; R340-D342 PolarHBondContact NE-OD1 3.38Å
343G95.1Very high95.9Very high8 Ų818 Ų188%0.0829%0.093CC..THydrogen-bonded Turntrans65.634.1-178.400000114.1S275 T345 S346 M347 E397S275-G343 WeakPolarHBondContact CB-O 3.45Å; G343-T345 VanDerWaalsContact C-N 3.25Å; G343-T345 PolarHBondContact O-N 3.48Å; G343-S346 WeakPolarHBondContact O-CB 3.43Å; G343-S346 PolarHBondContact O-N 3.04Å; G343-M347 PolarHBondContact O-N 3.39Å; G343-E397 PolarHBondContact N-OE2 3.28Å
344V97.3Very high95.3Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-60.6-36.7179.6173.70000111F341 S346 M347 I348 L378 A396 E397 E398 L405 F416F341-V344 HydrophobicContact CB-CG2 3.72Å; F341-V344 VanDerWaalsContact O-CG2 3.31Å; F341-V344 WeakPolarHBondContact O-CG2 3.39Å; V344-S346 VanDerWaalsContact C-N 3.26Å; V344-S346 PolarHBondContact O-N 2.76Å; V344-M347 WeakPolarHBondContact O-CA 3.39Å; V344-M347 WeakPolarHBondContact O-CB 3.44Å; V344-M347 PolarHBondContact O-N 2.99Å; V344-I348 HydrophobicContact CG1-CD1 4.45Å; V344-I348 HydrophobicContact CG1-CG2 3.93Å; V344-I348 WeakPolarHBondContact O-CG1 3.12Å; V344-I348 WeakPolarHBondContact O-CG2 3.3Å; V344-I348 PolarHBondContact O-N 2.89Å; V344-L378 HydrophobicContact CG1-CD1 4.04Å; V344-A396 HydrophobicContact CG2-CB 4.17Å; V344-E397 WeakPolarHBondContact CB-O 3.32Å; V344-E397 PolarHBondContact N-O 2.99Å; V344-E398 HydrophobicContact CB-CB 4.07Å; V344-E398 HydrophobicContact CB-CG 4.18Å; V344-E398 HydrophobicContact CG1-CB 4.14Å; V344-E398 HydrophobicContact CG1-CG 3.84Å; V344-L405 HydrophobicContact CG1-CD1 4.39Å; V344-F416 HydrophobicContact CG2-CZ 4.2Å
345T96Very high94.5Very high14 Ų1422 Ų229%0.08614%0.139CC..Hα-helixtrans-54.7-42.6173.3-43.50000112G343 M347 I348 Y349 F358 E398 V399G343-T345 VanDerWaalsContact C-N 3.25Å; G343-T345 PolarHBondContact O-N 3.48Å; T345-M347 VanDerWaalsContact C-N 3.29Å; T345-M347 PolarHBondContact O-N 3.25Å; T345-I348 PolarHBondContact O-N 3.35Å; T345-Y349 HydrophobicContact CG2-CD2 3.96Å; T345-Y349 HydrophobicContact CG2-CE2 4.06Å; T345-Y349 VanDerWaalsContact O-CD2 3.29Å; T345-Y349 WeakPolarHBondContact O-CD2 3.4Å; T345-Y349 PolarHBondContact O-N 3.15Å; T345-F358 HydrophobicContact CG2-CE2 4.44Å; T345-E398 WeakPolarHBondContact OG1-CA 3.25Å; T345-V399 HydrophobicContact CG2-CG2 4.45Å; T345-V399 WeakPolarHBondContact OG1-CG2 3.48Å; T345-V399 PolarHBondContact OG1-N 2.77Å
346S95.5Very high93.7Very high4 Ų421.2 Ų21.23%0.02814%0.139CC..Hα-helixtrans-67.9-31.5178.5179.50000112.1H304 W307 G343 V344 H352H304-S346 PolarHBondContact CD2-OG 3.39Å; H304-S346 PolarHBondContact NE2-OG 3.32Å; H304-S346 VanDerWaalsContact NE2-OG 3.1Å; W307-S346 WeakPolarHBondContact CZ3-OG 3.34Å; G343-S346 WeakPolarHBondContact O-CB 3.43Å; G343-S346 PolarHBondContact O-N 3.04Å; V344-S346 VanDerWaalsContact C-N 3.26Å; V344-S346 PolarHBondContact O-N 2.76Å; S346-H352 PolarHBondContact O-ND1 2.67Å; S346-H352 PolarHBondContact OG-ND1 3.42Å
347M96.6Very high92.8Very high6 Ų624.3 Ų24.33%0.0317%0.17CC..Hα-helixtrans-70.1-48.9176-64.7175.267.900112.2S275 Y314 G343 V344 T345 Y349 D371 S374 Y377 L378S275-M347 VanDerWaalsContact CA-CG 3.49Å; Y314-M347 HydrophobicContact CE1-CE 4.01Å; G343-M347 PolarHBondContact O-N 3.39Å; V344-M347 WeakPolarHBondContact O-CA 3.39Å; V344-M347 WeakPolarHBondContact O-CB 3.44Å; V344-M347 PolarHBondContact O-N 2.99Å; T345-M347 VanDerWaalsContact C-N 3.29Å; T345-M347 PolarHBondContact O-N 3.25Å; M347-Y349 VanDerWaalsContact C-N 3.33Å; M347-Y349 PolarHBondContact O-N 3.12Å; M347-D371 WeakPolarHBondContact O-CB 3.44Å; M347-S374 VanDerWaalsContact C-OG 3.27Å; M347-S374 WeakPolarHBondContact O-CB 3.32Å; M347-S374 PolarHBondContact O-OG 3.4Å; M347-Y377 HydrophobicContact CE-CD1 3.66Å; M347-Y377 HydrophobicContact CE-CE1 3.81Å; M347-L378 HydrophobicContact CE-CD1 4.33Å; M347-L378 HydrophobicContact CE-CD2 3.76Å; M347-L378 HydrophobicContact CE-CG 4.04Å; M347-L378 HydrophobicContact SD-CD2 4.4Å
348I96.2Very high92.3Very high1 Ų126.6 Ų26.61%0.00518%0.18CC..Hα-helixtrans-83.3-7.7-165.267.1180000113.8V344 T345 A370 D371 L375 L378 E398 M402V344-I348 HydrophobicContact CG1-CD1 4.45Å; V344-I348 HydrophobicContact CG1-CG2 3.93Å; V344-I348 WeakPolarHBondContact O-CG1 3.12Å; V344-I348 WeakPolarHBondContact O-CG2 3.3Å; V344-I348 PolarHBondContact O-N 2.89Å; T345-I348 PolarHBondContact O-N 3.35Å; I348-A370 CarbonylContact O-C 3.56Å; I348-A370 VanDerWaalsContact O-CA 3.27Å; I348-A370 WeakPolarHBondContact O-CA 3.32Å; I348-D371 PolarHBondContact O-N 3.47Å; I348-L375 HydrophobicContact CB-CD2 4.04Å; I348-L375 HydrophobicContact CB-CG 4.3Å; I348-L375 HydrophobicContact CG2-CD2 3.58Å; I348-L375 HydrophobicContact CG2-CG 4.1Å; I348-L378 HydrophobicContact CG2-CD1 3.82Å; I348-E398 HydrophobicContact CD1-CG 3.92Å; I348-M402 HydrophobicContact CD1-CB 4.19Å; I348-M402 HydrophobicContact CD1-SD 3.89Å
349Y95.5Very high91.7Very high1 Ų131 Ų310%0.00421%0.21CC..BIsolated β-bridgetrans-125.6137.4175.5-55.8-64.8000111.5T345 M347 S351 H352 F358 Y365 N369 S400T345-Y349 HydrophobicContact CG2-CD2 3.96Å; T345-Y349 HydrophobicContact CG2-CE2 4.06Å; T345-Y349 VanDerWaalsContact O-CD2 3.29Å; T345-Y349 WeakPolarHBondContact O-CD2 3.4Å; T345-Y349 PolarHBondContact O-N 3.15Å; M347-Y349 VanDerWaalsContact C-N 3.33Å; M347-Y349 PolarHBondContact O-N 3.12Å; Y349-S351 PolarHBondContact O-N 3.01Å; Y349-H352 WeakPolarHBondContact O-CA 3.37Å; Y349-H352 PolarHBondContact O-N 3.44Å; Y349-H352 PolarHBondContact O-ND1 2.68Å; Y349-F358 HydrophobicContact CD2-CE1 4.19Å; Y349-F358 AromaticContact CD2-CZ 3.75Å; Y349-F358 HydrophobicContact CD2-CZ 3.75Å; Y349-F358 HydrophobicContact CE1-CE1 4.16Å; Y349-F358 AromaticContact CE2-CE1 3.7Å; Y349-F358 HydrophobicContact CE2-CE1 3.7Å; Y349-F358 AromaticContact CE2-CZ 3.54Å; Y349-F358 HydrophobicContact CE2-CZ 3.54Å; Y349-F358 HydrophobicContact CG-CZ 4.42Å; Y349-F358 AromaticContact CZ-CE1 3.71Å; Y349-Y365 VanDerWaalsContact OH-CD1 3.3Å; Y349-Y365 WeakPolarHBondContact OH-CD1 3.49Å; Y349-N369 CarbonylContact C-O 3.53Å; Y349-N369 WeakPolarHBondContact CA-O 3.5Å; Y349-S400 WeakPolarHBondContact CE2-OG 3.47Å; Y349-S400 PolarHBondContact OH-OG 2.92Å
350H92.7Very high91.2Very high81 Ų8132.7 Ų32.738%0.37523%0.229SC..THydrogen-bonded Turntrans-66.8-26.1174.9-69-47.5000113.2H352 N369 D371H350-H352 PolarHBondContact O-NE2 3.09Å; H350-N369 PolarHBondContact N-O 3.12Å; H350-D371 IonicContact CE1-OD1 3.6Å; H350-D371 IonicContact CE1-OD2 2.65Å; H350-D371 PolarHBondContact CE1-OD2 3.47Å; H350-D371 IonicContact ND1-OD2 2.74Å; H350-D371 PolarHBondContact ND1-OD2 2.91Å
351S91Very high90.8Very high28 Ų2836.6 Ų36.620%0.19625%0.249CC..THydrogen-bonded Turntrans-74.6-11.1168.159.70000113.7Y349 G353 L354 D356 N369Y349-S351 PolarHBondContact O-N 3.01Å; S351-G353 PolarHBondContact O-N 3.38Å; S351-G353 PolarHBondContact OG-N 3.02Å; S351-L354 WeakPolarHBondContact O-CB 3.45Å; S351-L354 PolarHBondContact O-N 3.34Å; S351-D356 VanDerWaalsContact CB-OD2 3.3Å; S351-D356 WeakPolarHBondContact CB-OD2 3.06Å; S351-D356 PolarHBondContact OG-OD2 2.81Å; S351-N369 PolarHBondContact N-OD1 3.38Å; S351-N369 VanDerWaalsContact N-OD1 3.1Å; S351-N369 PolarHBondContact OG-ND2 2.91Å; S351-N369 PolarHBondContact OG-OD1 2.94Å
352H89.6Confident90.5Very high43 Ų4338.2 Ų38.220%0.19926%0.256CS..THydrogen-bonded Turntrans60.817.6-170.2-47.3-59.2000114.8H304 L311 S346 Y349 H350 L354H304-H352 AromaticContact CD2-CD2 3.72Å; H304-H352 AromaticContact CD2-CG 3.55Å; H304-H352 AromaticContact CD2-ND1 3.93Å; H304-H352 WeakPolarHBondContact NE2-CB 3.27Å; H304-H352 AromaticContact NE2-CD2 3.98Å; H304-H352 AromaticContact NE2-CG 3.58Å; L311-H352 WeakPolarHBondContact CD1-CE1 3.44Å; L311-H352 WeakPolarHBondContact CD1-NE2 3.36Å; S346-H352 PolarHBondContact O-ND1 2.67Å; S346-H352 PolarHBondContact OG-ND1 3.42Å; Y349-H352 WeakPolarHBondContact O-CA 3.37Å; Y349-H352 PolarHBondContact O-N 3.44Å; Y349-H352 PolarHBondContact O-ND1 2.68Å; H350-H352 PolarHBondContact O-NE2 3.09Å; H352-L354 HydrophobicContact CB-CD1 4.48Å; H352-L354 HydrophobicContact CB-CG 4.26Å; H352-L354 PolarHBondContact O-N 3.48Å
353G84.6Confident90.2Very high19 Ų1944 Ų4420%0.19628%0.283CS..THydrogen-bonded Turntrans74.85.6-171.400000113.8S351 G355S351-G353 PolarHBondContact O-N 3.38Å; S351-G353 PolarHBondContact OG-N 3.02Å; G353-G355 PolarHBondContact O-N 2.85Å
354L84.4Confident90.1Very high80 Ų8046.4 Ų46.442%0.41929%0.293SS..THydrogen-bonded Turntrans-76.6116.1179.8-60.3178.9000110.3L306 S351 H352 D356L306-L354 HydrophobicContact CB-CD1 4.01Å; L306-L354 HydrophobicContact CD2-CD1 4.47Å; L306-L354 HydrophobicContact CD2-CD2 3.53Å; S351-L354 WeakPolarHBondContact O-CB 3.45Å; S351-L354 PolarHBondContact O-N 3.34Å; H352-L354 HydrophobicContact CB-CD1 4.48Å; H352-L354 HydrophobicContact CB-CG 4.26Å; H352-L354 PolarHBondContact O-N 3.48Å; L354-D356 PolarHBondContact O-N 2.98Å
355G81.7Confident89.9Confident88 Ų8847 Ų4791%0.90730%0.296SS*.THydrogen-bonded Turntrans78.32.8-179.800000114.5G353G353-G355 PolarHBondContact O-N 2.85Å
356D82.4Confident89.7Confident60 Ų6047 Ų4732%0.32130%0.295SS..  trans-83.7127.5176.2-68.3-27.3000110.9S351 L354 F358 N369S351-D356 VanDerWaalsContact CB-OD2 3.3Å; S351-D356 WeakPolarHBondContact CB-OD2 3.06Å; S351-D356 PolarHBondContact OG-OD2 2.81Å; L354-D356 PolarHBondContact O-N 2.98Å; D356-F358 HydrophobicContact CB-CE1 4.23Å; D356-F358 HydrophobicContact CB-CE2 3.98Å; D356-F358 HydrophobicContact CB-CZ 3.8Å; D356-N369 PolarHBondContact OD2-ND2 3.43Å
357G80.4Confident89.5Confident64 Ų6448.1 Ų48.166%0.6631%0.306SS*.  trans-91.999.9167.900000109.6S359G357-S359 PolarHBondContact O-N 3.33Å
358F86.6Confident89.2Confident57 Ų5758 Ų5825%0.2535%0.35CS..  trans-74.494.9175-61-71.2000110T345 Y349 D356 G360 D364 Y365 S400T345-F358 HydrophobicContact CG2-CE2 4.44Å; Y349-F358 HydrophobicContact CD2-CE1 4.19Å; Y349-F358 AromaticContact CD2-CZ 3.75Å; Y349-F358 HydrophobicContact CD2-CZ 3.75Å; Y349-F358 HydrophobicContact CE1-CE1 4.16Å; Y349-F358 AromaticContact CE2-CE1 3.7Å; Y349-F358 HydrophobicContact CE2-CE1 3.7Å; Y349-F358 AromaticContact CE2-CZ 3.54Å; Y349-F358 HydrophobicContact CE2-CZ 3.54Å; Y349-F358 HydrophobicContact CG-CZ 4.42Å; Y349-F358 AromaticContact CZ-CE1 3.71Å; D356-F358 HydrophobicContact CB-CE1 4.23Å; D356-F358 HydrophobicContact CB-CE2 3.98Å; D356-F358 HydrophobicContact CB-CZ 3.8Å; F358-G360 VanDerWaalsContact C-N 3.28Å; F358-G360 PolarHBondContact O-N 3.06Å; F358-D364 HydrophobicContact CD1-CB 4.36Å; F358-Y365 HydrophobicContact CB-CE1 4.39Å; F358-Y365 HydrophobicContact CD1-CD1 4.31Å; F358-Y365 AromaticContact CD1-CE1 3.79Å; F358-Y365 HydrophobicContact CD1-CE1 3.79Å; F358-Y365 HydrophobicContact CG-CE1 4.38Å; F358-S400 VanDerWaalsContact CD2-CB 3.47Å; F358-S400 VanDerWaalsContact CE1-CB 3.48Å; F358-S400 VanDerWaalsContact CE2-CB 3.44Å; F358-S400 VanDerWaalsContact CZ-CB 3.44Å
359S87Confident89Confident92 Ų9260.4 Ų60.464%0.64336%0.363SS*.  trans-77-16.5-174.265.90000113.7G357 D361 D364G357-S359 PolarHBondContact O-N 3.33Å; S359-D361 WeakPolarHBondContact OG-CB 3.4Å; S359-D361 PolarHBondContact OG-N 3.27Å; S359-D364 PolarHBondContact N-OD2 3.23Å; S359-D364 PolarHBondContact OG-OD2 3.46Å
360G87.7Confident89Confident37 Ų3760.6 Ų60.638%0.38136%0.364SS..SBendtrans91-1.3-165.100000113.5F358 Y362F358-G360 VanDerWaalsContact C-N 3.28Å; F358-G360 PolarHBondContact O-N 3.06Å; G360-Y362 VanDerWaalsContact O-CD1 3.23Å; G360-Y362 WeakPolarHBondContact O-CD1 3.2Å; G360-Y362 WeakPolarHBondContact O-CE1 3.42Å
361D91Very high89.1Confident83 Ų8357.3 Ų57.344%0.44435%0.35SS..  trans-67131.7165.2-170.7-20.2000109.7S359 H363 D364S359-D361 WeakPolarHBondContact OG-CB 3.4Å; S359-D361 PolarHBondContact OG-N 3.27Å; D361-H363 PolarHBondContact O-N 2.97Å; D361-H363 IonicContact OD1-CD2 3.83Å; D361-H363 PolarHBondContact OD1-CD2 2.84Å; D361-H363 IonicContact OD1-CG 3.38Å; D361-H363 PolarHBondContact OD1-N 3.32Å; D361-D364 WeakPolarHBondContact O-CB 3.26Å; D361-D364 PolarHBondContact O-N 3.37Å; D361-D364 VanDerWaalsContact O-N 3.13Å
362Y92.1Very high89.4Confident36 Ų3656.7 Ų56.714%0.14135%0.345CS..THydrogen-bonded Turntrans-74.3-17.7-173.2-72.222.9000112D21 L24 F27 G360 D364 Y365 F366 P403 R453D21-Y362 PolarHBondContact OD1-OH 2.9Å; D21-Y362 WeakPolarHBondContact OD2-CE2 3.41Å; D21-Y362 PolarHBondContact OD2-OH 3.12Å; D21-Y362 VanDerWaalsContact OD2-OH 3.07Å; L24-Y362 HydrophobicContact CD2-CD2 3.58Å; L24-Y362 HydrophobicContact CD2-CE2 3.72Å; L24-Y362 HydrophobicContact CG-CD2 4.16Å; L24-Y362 HydrophobicContact CG-CE2 3.88Å; F27-Y362 HydrophobicContact CD2-CD2 4.47Å; F27-Y362 HydrophobicContact CE2-CD2 4.29Å; F27-Y362 HydrophobicContact CE2-CG 4.29Å; G360-Y362 VanDerWaalsContact O-CD1 3.23Å; G360-Y362 WeakPolarHBondContact O-CD1 3.2Å; G360-Y362 WeakPolarHBondContact O-CE1 3.42Å; Y362-D364 PolarHBondContact O-N 3.47Å; Y362-Y365 HydrophobicContact CD1-CD2 4.3Å; Y362-Y365 HydrophobicContact CD1-CE2 4.4Å; Y362-Y365 PolarHBondContact O-N 2.93Å; Y362-Y365 VanDerWaalsContact O-N 3.14Å; Y362-F366 WeakPolarHBondContact O-CD2 3.33Å; Y362-F366 PolarHBondContact O-N 2.9Å; Y362-F366 VanDerWaalsContact O-N 3.09Å; Y362-P403 HydrophobicContact CD1-CG 4.38Å; Y362-P403 HydrophobicContact CD2-CG 4.44Å; Y362-P403 HydrophobicContact CE1-CG 4.28Å; Y362-P403 HydrophobicContact CE2-CG 4.27Å; Y362-R453 PolarHBondContact OH-NH2 3.02Å
363H91.6Very high89.7Confident123 Ų12356.7 Ų56.757%0.56935%0.346SS*.Hα-helixtrans-61.3-28.7170.3-76.5-76.7000112.8F27 D361 Y365 G367F27-H363 AromaticContact CE1-CE1 3.85Å; F27-H363 AromaticContact CE1-ND1 3.75Å; F27-H363 AromaticContact CZ-CD2 3.92Å; F27-H363 AromaticContact CZ-CE1 3.9Å; F27-H363 AromaticContact CZ-CG 3.99Å; F27-H363 AromaticContact CZ-ND1 3.98Å; F27-H363 AromaticContact CZ-NE2 3.87Å; D361-H363 PolarHBondContact O-N 2.97Å; D361-H363 IonicContact OD1-CD2 3.83Å; D361-H363 PolarHBondContact OD1-CD2 2.84Å; D361-H363 IonicContact OD1-CG 3.38Å; D361-H363 PolarHBondContact OD1-N 3.32Å; H363-Y365 VanDerWaalsContact C-N 3.25Å; H363-Y365 PolarHBondContact O-N 3.23Å; H363-G367 WeakPolarHBondContact O-CA 3.42Å; H363-G367 PolarHBondContact O-N 3.45Å
364D91.6Very high90.3Very high57 Ų5755.8 Ų55.831%0.30534%0.337SS..Hα-helixtrans-66-30.2177-60.8-23000111.4F358 S359 D361 Y362F358-D364 HydrophobicContact CD1-CB 4.36Å; S359-D364 PolarHBondContact N-OD2 3.23Å; S359-D364 PolarHBondContact OG-OD2 3.46Å; D361-D364 WeakPolarHBondContact O-CB 3.26Å; D361-D364 PolarHBondContact O-N 3.37Å; D361-D364 VanDerWaalsContact O-N 3.13Å; Y362-D364 PolarHBondContact O-N 3.47Å
365Y93.2Very high90.9Very high12 Ų1252 Ų525%0.04732%0.317CS..Hα-helixtrans-95.3-29.9-175.1-53.8-55.3000114.3Y349 F358 Y362 H363 S400 M402 P403Y349-Y365 VanDerWaalsContact OH-CD1 3.3Å; Y349-Y365 WeakPolarHBondContact OH-CD1 3.49Å; F358-Y365 HydrophobicContact CB-CE1 4.39Å; F358-Y365 HydrophobicContact CD1-CD1 4.31Å; F358-Y365 AromaticContact CD1-CE1 3.79Å; F358-Y365 HydrophobicContact CD1-CE1 3.79Å; F358-Y365 HydrophobicContact CG-CE1 4.38Å; Y362-Y365 HydrophobicContact CD1-CD2 4.3Å; Y362-Y365 HydrophobicContact CD1-CE2 4.4Å; Y362-Y365 PolarHBondContact O-N 2.93Å; Y362-Y365 VanDerWaalsContact O-N 3.14Å; H363-Y365 VanDerWaalsContact C-N 3.25Å; H363-Y365 PolarHBondContact O-N 3.23Å; Y365-S400 WeakPolarHBondContact CE1-O 3.27Å; Y365-S400 PolarHBondContact OH-O 3.17Å; Y365-M402 HydrophobicContact CD1-CB 4.37Å; Y365-P403 HydrophobicContact CD2-CG 3.8Å; Y365-P403 HydrophobicContact CE2-CG 4.2Å; Y365-P403 HydrophobicContact CG-CG 4.46Å
366F93.3Very high91.7Very high15 Ų1548.1 Ų48.17%0.06628%0.276CS..Hα-helixtrans-114.34.2-174.4-61.6-81.2000113.6L24 F27 E30 I31 Y362 M402 P403L24-F366 HydrophobicContact CD2-CD2 4.35Å; L24-F366 HydrophobicContact CD2-CE2 3.37Å; L24-F366 HydrophobicContact CD2-CZ 3.53Å; F27-F366 HydrophobicContact CB-CB 4.2Å; F27-F366 HydrophobicContact CB-CD1 4.36Å; F27-F366 HydrophobicContact CB-CD2 4.29Å; F27-F366 HydrophobicContact CB-CG 4.03Å; F27-F366 HydrophobicContact CD1-CB 3.35Å; F27-F366 HydrophobicContact CD1-CD2 4.19Å; F27-F366 AromaticContact CD1-CG 3.96Å; F27-F366 HydrophobicContact CD1-CG 3.96Å; F27-F366 HydrophobicContact CD2-CD2 4.24Å; F27-F366 HydrophobicContact CE1-CB 3.88Å; F27-F366 HydrophobicContact CG-CB 3.89Å; F27-F366 AromaticContact CG-CD2 3.97Å; F27-F366 HydrophobicContact CG-CD2 3.97Å; F27-F366 AromaticContact CG-CG 3.97Å; F27-F366 HydrophobicContact CG-CG 3.97Å; E30-F366 HydrophobicContact CG-CB 4.43Å; E30-F366 HydrophobicContact CG-CD1 4.49Å; I31-F366 HydrophobicContact CD1-CE1 4.39Å; I31-F366 HydrophobicContact CG1-CD1 4.39Å; I31-F366 HydrophobicContact CG1-CE1 4.01Å; Y362-F366 WeakPolarHBondContact O-CD2 3.33Å; Y362-F366 PolarHBondContact O-N 2.9Å; Y362-F366 VanDerWaalsContact O-N 3.09Å; F366-M402 HydrophobicContact CE1-CE 4.27Å; F366-P403 HydrophobicContact CE2-CB 4.26Å; F366-P403 HydrophobicContact CE2-CG 4.17Å; F366-P403 HydrophobicContact CZ-CB 4.31Å
367G90.7Very high92.5Very high27 Ų2745.3 Ų45.328%0.27826%0.261SS..SBendtrans-74.3-176.7175.700000114.3H363 N369 A370H363-G367 WeakPolarHBondContact O-CA 3.42Å; H363-G367 PolarHBondContact O-N 3.45Å; G367-N369 PolarHBondContact O-N 2.86Å; G367-N369 VanDerWaalsContact O-N 3.14Å; G367-A370 WeakPolarHBondContact O-CB 3.29Å; G367-A370 PolarHBondContact O-N 3.31Å; G367-A370 VanDerWaalsContact O-N 3.11Å
368F89.9Confident93.3Very high213 Ų21342.2 Ų42.293%0.93423%0.229SC*.THydrogen-bonded Turntrans-63.9-17-179-67-68.8000114.7A370F368-A370 VanDerWaalsContact C-N 3.25Å
369N93.3Very high93.9Very high52 Ų5239.7 Ų39.728%0.27822%0.218SC..THydrogen-bonded Turntrans-72-21.7176.2-168.537.8000112.2Y349 H350 S351 D356 G367 D371Y349-N369 CarbonylContact C-O 3.53Å; Y349-N369 WeakPolarHBondContact CA-O 3.5Å; H350-N369 PolarHBondContact N-O 3.12Å; S351-N369 PolarHBondContact N-OD1 3.38Å; S351-N369 VanDerWaalsContact N-OD1 3.1Å; S351-N369 PolarHBondContact OG-ND2 2.91Å; S351-N369 PolarHBondContact OG-OD1 2.94Å; D356-N369 PolarHBondContact OD2-ND2 3.43Å; G367-N369 PolarHBondContact O-N 2.86Å; G367-N369 VanDerWaalsContact O-N 3.14Å; N369-D371 PolarHBondContact O-N 2.9Å
370A94.4Very high94.4Very high5 Ų535.3 Ų35.34%0.04119%0.187CC..BIsolated β-bridgetrans-70.5120.6179.700000111.4I348 G367 F368 T372 L375I348-A370 CarbonylContact O-C 3.56Å; I348-A370 VanDerWaalsContact O-CA 3.27Å; I348-A370 WeakPolarHBondContact O-CA 3.32Å; G367-A370 WeakPolarHBondContact O-CB 3.29Å; G367-A370 PolarHBondContact O-N 3.31Å; G367-A370 VanDerWaalsContact O-N 3.11Å; F368-A370 VanDerWaalsContact C-N 3.25Å; A370-T372 PolarHBondContact O-N 3.36Å; A370-T372 VanDerWaalsContact O-N 3.14Å; A370-L375 HydrophobicContact CB-CD1 4.43Å
371D95.7Very high94.9Very high13 Ų1333.5 Ų33.57%0.0717%0.169CC..  trans-75.1104.9177.6-169.2-30.2000109.8R301 M347 I348 H350 N369 D373 S374 L375R301-D371 IonicContact NH2-OD2 3.05Å; M347-D371 WeakPolarHBondContact O-CB 3.44Å; I348-D371 PolarHBondContact O-N 3.47Å; H350-D371 IonicContact CE1-OD1 3.6Å; H350-D371 IonicContact CE1-OD2 2.65Å; H350-D371 PolarHBondContact CE1-OD2 3.47Å; H350-D371 IonicContact ND1-OD2 2.74Å; H350-D371 PolarHBondContact ND1-OD2 2.91Å; N369-D371 PolarHBondContact O-N 2.9Å; D371-D373 VanDerWaalsContact C-N 3.29Å; D371-D373 PolarHBondContact O-N 3.19Å; D371-D373 WeakPolarHBondContact OD1-CA 3.38Å; D371-D373 WeakPolarHBondContact OD1-CB 3.45Å; D371-D373 PolarHBondContact OD1-N 3.04Å; D371-S374 WeakPolarHBondContact CB-OG 3.32Å; D371-S374 PolarHBondContact O-OG 3.21Å; D371-S374 VanDerWaalsContact O-OG 3.08Å; D371-S374 PolarHBondContact OD1-N 3.31Å; D371-L375 WeakPolarHBondContact O-CB 3.32Å; D371-L375 WeakPolarHBondContact O-CD1 3.43Å; D371-L375 VanDerWaalsContact O-CG 3.26Å; D371-L375 WeakPolarHBondContact O-CG 3.35Å; D371-L375 PolarHBondContact O-N 2.46Å
372T96.1Very high95.3Very high15 Ų1529.6 Ų29.69%0.09215%0.148CC..Hα-helixtrans-67.6-31.5-179.9-57.20000112.4R33 R34 I37 A370 V376R33-T372 PolarHBondContact NH2-OG1 2.92Å; R34-T372 HydrophobicContact CG-CG2 4.14Å; I37-T372 HydrophobicContact CD1-CG2 3.55Å; A370-T372 PolarHBondContact O-N 3.36Å; A370-T372 VanDerWaalsContact O-N 3.14Å; T372-V376 HydrophobicContact CG2-CG2 4.26Å; T372-V376 WeakPolarHBondContact O-CB 3.27Å; T372-V376 WeakPolarHBondContact O-CG2 3.49Å; T372-V376 PolarHBondContact O-N 3.48Å
373D96.3Very high95.6Very high43 Ų4331.8 Ų31.823%0.2316%0.157CC..Hα-helixtrans-71-43.1-173.8-56.6-38.2000109.8R301 T315 D371 V376 Y377R301-D373 IonicContact NH2-OD2 3.77Å; R301-D373 PolarHBondContact NH2-OD2 3.17Å; T315-D373 HydrophobicContact CG2-CB 3.78Å; T315-D373 WeakPolarHBondContact CG2-OD1 3.4Å; T315-D373 VanDerWaalsContact CG2-OD2 3.22Å; T315-D373 WeakPolarHBondContact CG2-OD2 3.32Å; D371-D373 VanDerWaalsContact C-N 3.29Å; D371-D373 PolarHBondContact O-N 3.19Å; D371-D373 WeakPolarHBondContact OD1-CA 3.38Å; D371-D373 WeakPolarHBondContact OD1-CB 3.45Å; D371-D373 PolarHBondContact OD1-N 3.04Å; D373-V376 PolarHBondContact O-N 2.68Å; D373-Y377 PolarHBondContact O-N 2.94Å
374S97.3Very high95.8Very high0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-68.8-41175.471.90000112.2M347 D371 V376 Y377 L378M347-S374 VanDerWaalsContact C-OG 3.27Å; M347-S374 WeakPolarHBondContact O-CB 3.32Å; M347-S374 PolarHBondContact O-OG 3.4Å; D371-S374 WeakPolarHBondContact CB-OG 3.32Å; D371-S374 PolarHBondContact O-OG 3.21Å; D371-S374 VanDerWaalsContact O-OG 3.08Å; D371-S374 PolarHBondContact OD1-N 3.31Å; S374-V376 VanDerWaalsContact C-N 3.31Å; S374-V376 PolarHBondContact O-N 2.94Å; S374-Y377 WeakPolarHBondContact O-CB 3.36Å; S374-Y377 PolarHBondContact O-N 3.39Å; S374-Y377 VanDerWaalsContact O-N 3.17Å; S374-L378 WeakPolarHBondContact O-CG 3.38Å; S374-L378 PolarHBondContact O-N 2.96Å
375L97.7Very high96.2Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-59.6-41.7174.5-75.1168.7000111.6I348 A370 D371 L378 M379 M402 Q414I348-L375 HydrophobicContact CB-CD2 4.04Å; I348-L375 HydrophobicContact CB-CG 4.3Å; I348-L375 HydrophobicContact CG2-CD2 3.58Å; I348-L375 HydrophobicContact CG2-CG 4.1Å; A370-L375 HydrophobicContact CB-CD1 4.43Å; D371-L375 WeakPolarHBondContact O-CB 3.32Å; D371-L375 WeakPolarHBondContact O-CD1 3.43Å; D371-L375 VanDerWaalsContact O-CG 3.26Å; D371-L375 WeakPolarHBondContact O-CG 3.35Å; D371-L375 PolarHBondContact O-N 2.46Å; L375-L378 PolarHBondContact O-N 3.11Å; L375-M379 VanDerWaalsContact O-CG 3.25Å; L375-M379 WeakPolarHBondContact O-CG 3.33Å; L375-M379 PolarHBondContact O-N 2.94Å; L375-M402 HydrophobicContact CD1-CE 4.2Å; L375-M402 HydrophobicContact CD2-CE 3.83Å; L375-M402 HydrophobicContact CD2-SD 3.83Å; L375-Q414 HydrophobicContact CD2-CG 3.61Å
376V97.6Very high96.4Very high7 Ų725.3 Ų25.34%0.04213%0.125CC..Hα-helixtrans-66.1-39.6175.8168.40000111.4I37 F38 T372 D373 S374 M379 L380I37-V376 HydrophobicContact CB-CG2 4.04Å; I37-V376 HydrophobicContact CG2-CG1 4.32Å; I37-V376 HydrophobicContact CG2-CG2 3.78Å; F38-V376 HydrophobicContact CB-CG1 4.41Å; T372-V376 HydrophobicContact CG2-CG2 4.26Å; T372-V376 WeakPolarHBondContact O-CB 3.27Å; T372-V376 WeakPolarHBondContact O-CG2 3.49Å; T372-V376 PolarHBondContact O-N 3.48Å; D373-V376 PolarHBondContact O-N 2.68Å; S374-V376 VanDerWaalsContact C-N 3.31Å; S374-V376 PolarHBondContact O-N 2.94Å; V376-M379 PolarHBondContact O-N 3.45Å; V376-L380 HydrophobicContact CG1-CD1 4.07Å; V376-L380 HydrophobicContact CG1-CG 4.46Å; V376-L380 WeakPolarHBondContact O-CG 3.3Å; V376-L380 PolarHBondContact O-N 3.22Å
377Y98.4Very high96.5Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-58.3-46.8172.1162.7-107.5000111.7H274 Y314 L320 L323 L324 M347 D373 S374 M379 L380 A381H274-Y377 HydrophobicContact CB-CE1 4.28Å; H274-Y377 AromaticContact ND1-CZ 3.81Å; H274-Y377 PolarHBondContact ND1-OH 2.79Å; Y314-Y377 AromaticContact CD1-CD1 3.84Å; Y314-Y377 HydrophobicContact CD1-CD1 3.84Å; Y314-Y377 AromaticContact CD1-CG 3.8Å; Y314-Y377 HydrophobicContact CD1-CG 3.8Å; Y314-Y377 AromaticContact CE1-CD1 3.86Å; Y314-Y377 HydrophobicContact CE1-CD1 3.86Å; Y314-Y377 HydrophobicContact CE1-CE1 4.34Å; Y314-Y377 HydrophobicContact CE1-CG 4.29Å; L320-Y377 HydrophobicContact CD2-CD2 3.84Å; L320-Y377 HydrophobicContact CD2-CG 4.4Å; L323-Y377 HydrophobicContact CB-CD2 4.5Å; L323-Y377 HydrophobicContact CB-CE2 3.58Å; L323-Y377 HydrophobicContact CD1-CD2 4.45Å; L323-Y377 HydrophobicContact CD1-CE1 4.43Å; L323-Y377 HydrophobicContact CD1-CE2 4.1Å; L324-Y377 HydrophobicContact CD2-CD2 4.27Å; L324-Y377 HydrophobicContact CD2-CE2 3.8Å; L324-Y377 HydrophobicContact CG-CD2 4.43Å; L324-Y377 HydrophobicContact CG-CE2 4.03Å; M347-Y377 HydrophobicContact CE-CD1 3.66Å; M347-Y377 HydrophobicContact CE-CE1 3.81Å; D373-Y377 PolarHBondContact O-N 2.94Å; S374-Y377 WeakPolarHBondContact O-CB 3.36Å; S374-Y377 PolarHBondContact O-N 3.39Å; S374-Y377 VanDerWaalsContact O-N 3.17Å; Y377-M379 PolarHBondContact O-N 2.95Å; Y377-L380 WeakPolarHBondContact O-CB 3.42Å; Y377-L380 PolarHBondContact O-N 3.08Å; Y377-A381 HydrophobicContact CE2-CB 4.45Å; Y377-A381 WeakPolarHBondContact O-CB 3.44Å; Y377-A381 PolarHBondContact O-N 3.44Å
378L98.5Very high96.8Very high0 Ų032.5 Ų32.50%015%0.151CC..Hα-helixtrans-63-40.6177.9-66.9174.2000111.9F341 V344 M347 I348 S374 L375 A381 N382 F416F341-L378 HydrophobicContact CD1-CD2 4.05Å; F341-L378 HydrophobicContact CE1-CD2 4.33Å; V344-L378 HydrophobicContact CG1-CD1 4.04Å; M347-L378 HydrophobicContact CE-CD1 4.33Å; M347-L378 HydrophobicContact CE-CD2 3.76Å; M347-L378 HydrophobicContact CE-CG 4.04Å; M347-L378 HydrophobicContact SD-CD2 4.4Å; I348-L378 HydrophobicContact CG2-CD1 3.82Å; S374-L378 WeakPolarHBondContact O-CG 3.38Å; S374-L378 PolarHBondContact O-N 2.96Å; L375-L378 PolarHBondContact O-N 3.11Å; L378-A381 PolarHBondContact O-N 2.79Å; L378-N382 PolarHBondContact O-N 2.7Å; L378-N382 PolarHBondContact O-ND2 2.78Å; L378-F416 HydrophobicContact CB-CE2 4.36Å; L378-F416 HydrophobicContact CD1-CE2 4.17Å; L378-F416 HydrophobicContact CD2-CE2 4.22Å; L378-F416 HydrophobicContact CD2-CZ 3.86Å; L378-F416 HydrophobicContact CG-CE2 4.48Å
379M98.3Very high97.2Very high3 Ų324.5 Ų24.52%0.01512%0.115CC..Hα-helixtrans-61-45.3172.9-69.5169.276.200111.7Y35 F38 L375 V376 Y377 Y383 V409 Q414Y35-M379 HydrophobicContact CD2-CE 3.93Å; F38-M379 HydrophobicContact CB-CE 3.78Å; F38-M379 HydrophobicContact CB-SD 4.26Å; F38-M379 HydrophobicContact CD1-CE 4.22Å; F38-M379 HydrophobicContact CD2-CB 3.74Å; F38-M379 HydrophobicContact CD2-CE 4.42Å; F38-M379 HydrophobicContact CE2-CB 4.23Å; F38-M379 HydrophobicContact CG-CB 4.34Å; F38-M379 HydrophobicContact CG-CE 3.89Å; L375-M379 VanDerWaalsContact O-CG 3.25Å; L375-M379 WeakPolarHBondContact O-CG 3.33Å; L375-M379 PolarHBondContact O-N 2.94Å; V376-M379 PolarHBondContact O-N 3.45Å; Y377-M379 PolarHBondContact O-N 2.95Å; M379-Y383 WeakPolarHBondContact O-CB 3.36Å; M379-Y383 PolarHBondContact O-N 3.21Å; M379-V409 HydrophobicContact CB-CG1 4.24Å; M379-V409 HydrophobicContact CB-CG2 4.33Å; M379-V409 HydrophobicContact CE-CG1 3.77Å; M379-V409 HydrophobicContact CG-CG1 4.49Å; M379-Q414 HydrophobicContact CG-CG 4.41Å
380L98.2Very high97.3Very high0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-61.7-44.4176.2-72.2165.3000111.5F38 T41 L42 L320 L324 V376 Y377 F384F38-L380 HydrophobicContact CD2-CD2 3.82Å; F38-L380 HydrophobicContact CD2-CG 3.96Å; F38-L380 HydrophobicContact CE2-CD2 3.77Å; F38-L380 HydrophobicContact CE2-CG 4.2Å; T41-L380 HydrophobicContact CG2-CD1 3.67Å; L42-L380 HydrophobicContact CB-CD2 4.32Å; L42-L380 HydrophobicContact CD1-CD2 4.39Å; L320-L380 HydrophobicContact CD1-CD1 4.27Å; L320-L380 HydrophobicContact CD2-CD1 4.32Å; L324-L380 HydrophobicContact CD1-CB 4.26Å; L324-L380 HydrophobicContact CD2-CB 4.35Å; V376-L380 HydrophobicContact CG1-CD1 4.07Å; V376-L380 HydrophobicContact CG1-CG 4.46Å; V376-L380 WeakPolarHBondContact O-CG 3.3Å; V376-L380 PolarHBondContact O-N 3.22Å; Y377-L380 WeakPolarHBondContact O-CB 3.42Å; Y377-L380 PolarHBondContact O-N 3.08Å; L380-F384 WeakPolarHBondContact O-CD1 3.28Å; L380-F384 PolarHBondContact O-N 3.11Å; L380-F384 VanDerWaalsContact O-N 3.09Å
381A98.6Very high97.4Very high0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-58.6-58.4178.400000111.1L324 L327 F341 Y377 L378 Y383 F384 L385L324-A381 HydrophobicContact CD2-CB 3.84Å; L327-A381 HydrophobicContact CD1-CB 3.67Å; F341-A381 HydrophobicContact CZ-CB 4.38Å; Y377-A381 HydrophobicContact CE2-CB 4.45Å; Y377-A381 WeakPolarHBondContact O-CB 3.44Å; Y377-A381 PolarHBondContact O-N 3.44Å; L378-A381 PolarHBondContact O-N 2.79Å; A381-Y383 PolarHBondContact O-N 3.33Å; A381-F384 WeakPolarHBondContact O-CD1 3.42Å; A381-F384 WeakPolarHBondContact O-CE1 3.34Å; A381-F384 PolarHBondContact O-N 3.14Å; A381-L385 WeakPolarHBondContact O-CB 3.33Å; A381-L385 VanDerWaalsContact O-CG 3.22Å; A381-L385 WeakPolarHBondContact O-CG 3.41Å; A381-L385 PolarHBondContact O-N 3.28Å
382N98.6Very high97.5Very high1 Ų130.9 Ų30.91%0.00515%0.153CC..Hα-helixtrans-65.8-37.6-178.9-77.4-48.6000112.6L378 H386 T394 Q414 G415L378-N382 PolarHBondContact O-N 2.7Å; L378-N382 PolarHBondContact O-ND2 2.78Å; N382-H386 WeakPolarHBondContact O-CB 3.4Å; N382-H386 PolarHBondContact O-N 2.76Å; N382-H386 VanDerWaalsContact O-N 3.08Å; N382-H386 PolarHBondContact O-ND1 3.32Å; N382-T394 WeakPolarHBondContact OD1-CB 3.45Å; N382-T394 WeakPolarHBondContact OD1-CG2 3.47Å; N382-T394 PolarHBondContact OD1-OG1 2.96Å; N382-Q414 WeakPolarHBondContact CB-O 3.28Å; N382-Q414 PolarHBondContact ND2-O 3.14Å; N382-G415 WeakPolarHBondContact CB-O 3.29Å; N382-G415 VanDerWaalsContact CG-C 3.44Å; N382-G415 VanDerWaalsContact CG-O 3.23Å; N382-G415 PolarHBondContact OD1-O 2.94Å
383Y97.7Very high97.6Very high82 Ų8230.2 Ų30.232%0.32215%0.149SC..Hα-helixtrans-58.5-50.7176.7176.5-100.2000111.6F38 L42 M379 A381 Q387F38-Y383 HydrophobicContact CE2-CD1 4.49Å; F38-Y383 HydrophobicContact CE2-CG 4.19Å; F38-Y383 HydrophobicContact CZ-CD1 4.12Å; F38-Y383 AromaticContact CZ-CD2 3.96Å; F38-Y383 HydrophobicContact CZ-CD2 3.96Å; F38-Y383 HydrophobicContact CZ-CE2 4.49Å; F38-Y383 AromaticContact CZ-CG 3.76Å; F38-Y383 HydrophobicContact CZ-CG 3.76Å; L42-Y383 HydrophobicContact CD1-CD1 4.38Å; L42-Y383 HydrophobicContact CD1-CE1 4.12Å; L42-Y383 HydrophobicContact CD2-CD1 4.36Å; L42-Y383 HydrophobicContact CD2-CE1 3.76Å; M379-Y383 WeakPolarHBondContact O-CB 3.36Å; M379-Y383 PolarHBondContact O-N 3.21Å; A381-Y383 PolarHBondContact O-N 3.33Å; Y383-Q387 VanDerWaalsContact CE1-OE1 3.24Å; Y383-Q387 WeakPolarHBondContact O-CB 3.49Å; Y383-Q387 PolarHBondContact O-N 3.44Å; Y383-Q387 VanDerWaalsContact O-N 3.07Å
384F97.2Very high97.7Very high5 Ų528.1 Ų28.12%0.02214%0.138CC..Hα-helixtrans-71.9-39-177.498.4-100.7000112.1M52 T56 L324 L327 R328 L380 A381 Q387 K388M52-F384 HydrophobicContact CE-CB 3.4Å; M52-F384 VanDerWaalsContact CE-CB 3.4Å; M52-F384 HydrophobicContact CE-CD1 3.98Å; M52-F384 HydrophobicContact CE-CG 3.88Å; T56-F384 HydrophobicContact CG2-CD1 4.47Å; T56-F384 HydrophobicContact CG2-CD2 4.16Å; T56-F384 HydrophobicContact CG2-CE2 4.22Å; T56-F384 HydrophobicContact CG2-CG 4.3Å; T56-F384 HydrophobicContact CG2-CZ 4.4Å; L324-F384 HydrophobicContact CB-CE1 4.25Å; L324-F384 HydrophobicContact CD2-CD1 3.78Å; L324-F384 HydrophobicContact CD2-CE1 3.62Å; L327-F384 HydrophobicContact CB-CE1 4.22Å; L327-F384 HydrophobicContact CB-CZ 3.77Å; L327-F384 HydrophobicContact CD1-CE1 3.88Å; L327-F384 HydrophobicContact CD1-CZ 4.28Å; R328-F384 HydrophobicContact CB-CE2 4.34Å; L380-F384 WeakPolarHBondContact O-CD1 3.28Å; L380-F384 PolarHBondContact O-N 3.11Å; L380-F384 VanDerWaalsContact O-N 3.09Å; A381-F384 WeakPolarHBondContact O-CD1 3.42Å; A381-F384 WeakPolarHBondContact O-CE1 3.34Å; A381-F384 PolarHBondContact O-N 3.14Å; F384-Q387 PolarHBondContact O-N 2.82Å; F384-K388 VanDerWaalsContact O-CB 3.26Å; F384-K388 WeakPolarHBondContact O-CB 3.31Å; F384-K388 PolarHBondContact O-N 3.2Å
385L98.2Very high97.8Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-60.8-51.5-178.5-77.1176.2000110.2L327 V331 F339 A381 K388 Y389 I392 T394L327-L385 HydrophobicContact CB-CD2 4.31Å; L327-L385 HydrophobicContact CD1-CD1 4.18Å; V331-L385 HydrophobicContact CG2-CD2 4.43Å; F339-L385 HydrophobicContact CD2-CD1 3.82Å; F339-L385 HydrophobicContact CE2-CD1 3.94Å; F339-L385 HydrophobicContact CE2-CD2 3.91Å; A381-L385 WeakPolarHBondContact O-CB 3.33Å; A381-L385 VanDerWaalsContact O-CG 3.22Å; A381-L385 WeakPolarHBondContact O-CG 3.41Å; A381-L385 PolarHBondContact O-N 3.28Å; L385-K388 PolarHBondContact O-N 3.25Å; L385-Y389 HydrophobicContact CD2-CD2 4.17Å; L385-Y389 HydrophobicContact CD2-CE2 4.39Å; L385-Y389 CarbonylContact O-C 3.4Å; L385-Y389 WeakPolarHBondContact O-CA 3.07Å; L385-Y389 WeakPolarHBondContact O-CB 3.48Å; L385-Y389 PolarHBondContact O-N 2.8Å; L385-I392 HydrophobicContact CB-CD1 4.02Å; L385-I392 HydrophobicContact CB-CG2 4.12Å; L385-I392 HydrophobicContact CD1-CD1 4.16Å; L385-I392 HydrophobicContact CD2-CD1 3.61Å; L385-I392 HydrophobicContact CG-CD1 4.13Å; L385-T394 HydrophobicContact CD1-CG2 3.93Å
386H97.9Very high97.8Very high50 Ų5028.2 Ų28.223%0.23114%0.138CC..Hα-helixtrans-70.6-32.5180-69.194.3000113.3N382 K388 G415 D417N382-H386 WeakPolarHBondContact O-CB 3.4Å; N382-H386 PolarHBondContact O-N 2.76Å; N382-H386 VanDerWaalsContact O-N 3.08Å; N382-H386 PolarHBondContact O-ND1 3.32Å; H386-K388 VanDerWaalsContact C-N 3.34Å; H386-G415 PolarHBondContact CE1-O 2.79Å; H386-G415 VanDerWaalsContact CE1-O 3.26Å; H386-D417 IonicContact CE1-OD2 2.7Å; H386-D417 IonicContact NE2-OD1 3.9Å; H386-D417 IonicContact NE2-OD2 2.68Å; H386-D417 PolarHBondContact NE2-OD2 2.94Å; H386-D417 VanDerWaalsContact NE2-OD2 3.1Å
387Q96.5Very high97.8Very high126 Ų12629 Ų2959%0.58914%0.142SC*.Hα-helixtrans-66.2-38.9175.2-175179.311.800111.7Y383 F384Y383-Q387 VanDerWaalsContact CE1-OE1 3.24Å; Y383-Q387 WeakPolarHBondContact O-CB 3.49Å; Y383-Q387 PolarHBondContact O-N 3.44Å; Y383-Q387 VanDerWaalsContact O-N 3.07Å; F384-Q387 PolarHBondContact O-N 2.82Å
388K96.6Very high97.6Very high68 Ų6829 Ų2930%0.29614%0.142SC..Hα-helixtrans-90.5-32.9-175.1-167.7173.2174.676.60113.2E53 R328 F384 L385 H386E53-K388 IonicContact OE1-NZ 3.39Å; E53-K388 PolarHBondContact OE1-NZ 3.2Å; E53-K388 VanDerWaalsContact OE1-NZ 3.11Å; E53-K388 IonicContact OE2-NZ 2.78Å; E53-K388 PolarHBondContact OE2-NZ 3.36Å; R328-K388 VanDerWaalsContact NH2-NZ 3.11Å; F384-K388 VanDerWaalsContact O-CB 3.26Å; F384-K388 WeakPolarHBondContact O-CB 3.31Å; F384-K388 PolarHBondContact O-N 3.2Å; L385-K388 PolarHBondContact O-N 3.25Å; H386-K388 VanDerWaalsContact C-N 3.34Å
389Y97Very high97.3Very high44 Ų4433 Ų3317%0.17317%0.166CC..  trans-130.282.8-176-49.1-64.3000108.5V331 E332 L385 D391 I392V331-Y389 HydrophobicContact CB-CE2 4.03Å; V331-Y389 HydrophobicContact CG1-CD1 3.98Å; V331-Y389 HydrophobicContact CG1-CD2 3.98Å; V331-Y389 HydrophobicContact CG1-CE1 3.76Å; V331-Y389 HydrophobicContact CG1-CE2 3.75Å; V331-Y389 HydrophobicContact CG1-CG 4.09Å; V331-Y389 HydrophobicContact CG2-CD2 4.37Å; V331-Y389 HydrophobicContact CG2-CE2 4.19Å; E332-Y389 WeakPolarHBondContact CG-OH 3.31Å; E332-Y389 PolarHBondContact OE1-OH 3.01Å; L385-Y389 HydrophobicContact CD2-CD2 4.17Å; L385-Y389 HydrophobicContact CD2-CE2 4.39Å; L385-Y389 CarbonylContact O-C 3.4Å; L385-Y389 WeakPolarHBondContact O-CA 3.07Å; L385-Y389 WeakPolarHBondContact O-CB 3.48Å; L385-Y389 PolarHBondContact O-N 2.8Å; Y389-D391 PolarHBondContact O-N 3.49Å; Y389-D391 VanDerWaalsContact O-N 3.13Å; Y389-I392 HydrophobicContact CD2-CD1 4.39Å; Y389-I392 VanDerWaalsContact O-CB 3.27Å; Y389-I392 WeakPolarHBondContact O-CB 3.44Å; Y389-I392 WeakPolarHBondContact O-CG2 3.42Å; Y389-I392 PolarHBondContact O-N 3.15Å
390P95.8Very high97Very high97 Ų9733.2 Ų33.263%0.6317%0.168SC*.THydrogen-bonded Turntrans-59.1-29.2-172.4-27.436.2000114.9I392P390-I392 VanDerWaalsContact C-N 3.32Å
391D96.5Very high96.8Very high102 Ų10233.7 Ų33.755%0.54517%0.172SC..THydrogen-bonded Turntrans-88.42.5179.9-67-31.1000113.5K178 Y389K178-D391 HydrophobicContact CB-CB 4.09Å; Y389-D391 PolarHBondContact O-N 3.49Å; Y389-D391 VanDerWaalsContact O-N 3.13Å
392I98.1Very high96.6Very high5 Ų533.7 Ų33.73%0.02617%0.173CC..  trans-63.3151178.7-154.3173.4000110.8K178 V331 D337 F339 L385 Y389 P390K178-I392 PolarHBondContact NZ-O 2.78Å; V331-I392 HydrophobicContact CG2-CD1 4.04Å; D337-I392 WeakPolarHBondContact O-CA 3.46Å; D337-I392 VanDerWaalsContact O-CG1 3.28Å; D337-I392 WeakPolarHBondContact O-CG1 3.48Å; F339-I392 HydrophobicContact CD2-CD1 4.16Å; F339-I392 HydrophobicContact CE2-CD1 3.84Å; L385-I392 HydrophobicContact CB-CD1 4.02Å; L385-I392 HydrophobicContact CB-CG2 4.12Å; L385-I392 HydrophobicContact CD1-CD1 4.16Å; L385-I392 HydrophobicContact CD2-CD1 3.61Å; L385-I392 HydrophobicContact CG-CD1 4.13Å; Y389-I392 HydrophobicContact CD2-CD1 4.39Å; Y389-I392 VanDerWaalsContact O-CB 3.27Å; Y389-I392 WeakPolarHBondContact O-CB 3.44Å; Y389-I392 WeakPolarHBondContact O-CG2 3.42Å; Y389-I392 PolarHBondContact O-N 3.15Å; P390-I392 VanDerWaalsContact C-N 3.32Å
393V98.5Very high96.5Very high1 Ų133.8 Ų33.81%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-117128.1172.9-178.30000110K178 L182 I267 L269 D337 G338 F339 I395 D417 Y418K178-V393 HydrophobicContact CD-CG2 4.27Å; K178-V393 HydrophobicContact CG-CG2 4.31Å; L182-V393 HydrophobicContact CD1-CG1 3.69Å; I267-V393 HydrophobicContact CD1-CG2 4.22Å; L269-V393 HydrophobicContact CD2-CB 4.06Å; D337-V393 PolarHBondContact O-N 2.56Å; D337-V393 VanDerWaalsContact O-N 3.11Å; G338-V393 CarbonylContact C-O 3.52Å; G338-V393 WeakPolarHBondContact CA-O 3.08Å; F339-V393 PolarHBondContact N-O 3.33Å; V393-I395 HydrophobicContact CG1-CG1 4.09Å; V393-D417 VanDerWaalsContact CA-OD2 3.23Å; V393-D417 WeakPolarHBondContact CA-OD2 3.47Å; V393-D417 HydrophobicContact CG1-CB 4.44Å; V393-Y418 HydrophobicContact CG1-CD2 4.09Å; V393-Y418 HydrophobicContact CG1-CE2 4.26Å
394T98.7Very high96.4Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-119.4128.8169.363.50000112F339 F341 N382 L385 F416 D417 Y418F339-T394 CarbonylContact O-C 3.57Å; F339-T394 WeakPolarHBondContact O-CA 3.29Å; F341-T394 HydrophobicContact CE2-CG2 4.26Å; N382-T394 WeakPolarHBondContact OD1-CB 3.45Å; N382-T394 WeakPolarHBondContact OD1-CG2 3.47Å; N382-T394 PolarHBondContact OD1-OG1 2.96Å; L385-T394 HydrophobicContact CD1-CG2 3.93Å; T394-F416 WeakPolarHBondContact OG1-CA 3.28Å; T394-D417 PolarHBondContact N-OD2 3.19Å; T394-D417 WeakPolarHBondContact O-CB 3.2Å; T394-D417 PolarHBondContact O-N 3.36Å; T394-Y418 PolarHBondContact O-N 3.2Å
395I98.8Very high96.4Very high1 Ų129.7 Ų29.71%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-115.7132.1-178.6-51.7177.6000108.4I184 L269 F339 R340 F341 V393 Y418 L420 I459I184-I395 HydrophobicContact CD1-CD1 3.62Å; L269-I395 HydrophobicContact CD1-CD1 3.65Å; F339-I395 PolarHBondContact O-N 3.45Å; R340-I395 CarbonylContact C-O 3.43Å; R340-I395 WeakPolarHBondContact CA-O 3.45Å; R340-I395 HydrophobicContact CB-CB 4.31Å; R340-I395 HydrophobicContact CG-CB 4.28Å; R340-I395 HydrophobicContact CG-CG2 4.34Å; F341-I395 PolarHBondContact N-O 3.39Å; V393-I395 HydrophobicContact CG1-CG1 4.09Å; I395-Y418 CarbonylContact C-O 3.16Å; I395-Y418 VanDerWaalsContact CA-O 3.31Å; I395-Y418 WeakPolarHBondContact CA-O 3.5Å; I395-L420 HydrophobicContact CG2-CD2 3.79Å; I395-L420 HydrophobicContact CG2-CG 4.15Å; I395-I459 HydrophobicContact CD1-CG1 4.26Å; I395-I459 HydrophobicContact CG2-CG1 4.35Å
396A98.6Very high96.4Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-97.2125.2172.300000111.2V344 E398 L405 F416 Y418 R419 L420V344-A396 HydrophobicContact CG2-CB 4.17Å; A396-E398 HydrophobicContact CB-CB 4.14Å; A396-E398 PolarHBondContact O-N 3.02Å; A396-L405 HydrophobicContact CB-CD2 3.76Å; A396-L405 HydrophobicContact CB-CG 4.46Å; A396-F416 HydrophobicContact CB-CB 4.43Å; A396-F416 HydrophobicContact CB-CD1 3.82Å; A396-F416 HydrophobicContact CB-CD2 3.97Å; A396-F416 HydrophobicContact CB-CE1 3.92Å; A396-F416 HydrophobicContact CB-CE2 4.08Å; A396-F416 HydrophobicContact CB-CG 3.82Å; A396-F416 HydrophobicContact CB-CZ 4.04Å; A396-Y418 PolarHBondContact N-O 3.34Å; A396-R419 WeakPolarHBondContact O-CA 3.34Å; A396-L420 PolarHBondContact O-N 3.12Å
397E97.1Very high96.4Very high24 Ų2430 Ų3011%0.11216%0.158CC..  trans-83.593.7161.7-176.6-173.6-107.900108.8F341 G343 V344 L420 M422F341-E397 WeakPolarHBondContact O-CB 3.34Å; F341-E397 PolarHBondContact O-N 2.7Å; G343-E397 PolarHBondContact N-OE2 3.28Å; V344-E397 WeakPolarHBondContact CB-O 3.32Å; V344-E397 PolarHBondContact N-O 2.99Å; E397-L420 HydrophobicContact CB-CD1 4.23Å; E397-L420 HydrophobicContact CG-CD1 4.17Å; E397-M422 HydrophobicContact CG-CE 3.99Å; E397-M422 HydrophobicContact CG-SD 3.94Å
398E94.1Very high96.4Very high0 Ų026.7 Ų26.70%015%0.147CC..  trans-143.5117.6-168.5-162.9-69.3119.300110.2V344 T345 I348 A396 S400 G401 M402 L405 R419V344-E398 HydrophobicContact CB-CB 4.07Å; V344-E398 HydrophobicContact CB-CG 4.18Å; V344-E398 HydrophobicContact CG1-CB 4.14Å; V344-E398 HydrophobicContact CG1-CG 3.84Å; T345-E398 WeakPolarHBondContact OG1-CA 3.25Å; I348-E398 HydrophobicContact CD1-CG 3.92Å; A396-E398 HydrophobicContact CB-CB 4.14Å; A396-E398 PolarHBondContact O-N 3.02Å; E398-S400 VanDerWaalsContact CD-OG 3.3Å; E398-S400 VanDerWaalsContact OE1-CA 3.27Å; E398-S400 WeakPolarHBondContact OE1-CA 3.32Å; E398-S400 WeakPolarHBondContact OE1-CB 3.43Å; E398-S400 PolarHBondContact OE1-N 3.39Å; E398-S400 PolarHBondContact OE1-OG 3.01Å; E398-G401 PolarHBondContact OE1-N 2.94Å; E398-G401 WeakPolarHBondContact OE2-CA 3.46Å; E398-G401 PolarHBondContact OE2-N 3.31Å; E398-M402 PolarHBondContact OE2-N 2.93Å; E398-L405 HydrophobicContact CB-CD2 3.7Å; E398-L405 HydrophobicContact CG-CD2 3.6Å; E398-R419 PolarHBondContact O-NH2 3.39Å; E398-R419 IonicContact OE2-CZ 3.67Å; E398-R419 IonicContact OE2-NE 3.83Å; E398-R419 IonicContact OE2-NH2 3.67Å; E398-R419 PolarHBondContact OE2-NH2 3.06Å
399V91.6Very high96.4Very high85 Ų8523.9 Ų23.952%0.51514%0.136SC..SBendtrans-93-29.1-169.4-137.80000113T345 G401 M422T345-V399 HydrophobicContact CG2-CG2 4.45Å; T345-V399 WeakPolarHBondContact OG1-CG2 3.48Å; T345-V399 PolarHBondContact OG1-N 2.77Å; V399-G401 PolarHBondContact O-N 3.24Å; V399-M422 HydrophobicContact CB-SD 4.08Å; V399-M422 HydrophobicContact CG1-CB 3.87Å; V399-M422 HydrophobicContact CG1-CE 4.47Å; V399-M422 HydrophobicContact CG1-CG 4.43Å; V399-M422 HydrophobicContact CG1-SD 3.93Å; V399-M422 HydrophobicContact CG2-CE 4.17Å; V399-M422 HydrophobicContact CG2-SD 3.72Å
400S92.7Very high96.4Very high7 Ų723.4 Ų23.45%0.04914%0.139CC..SBendtrans-67.7-29.8-172.778.20000114.1Y349 F358 Y365 E398 M402Y349-S400 WeakPolarHBondContact CE2-OG 3.47Å; Y349-S400 PolarHBondContact OH-OG 2.92Å; F358-S400 VanDerWaalsContact CD2-CB 3.47Å; F358-S400 VanDerWaalsContact CE1-CB 3.48Å; F358-S400 VanDerWaalsContact CE2-CB 3.44Å; F358-S400 VanDerWaalsContact CZ-CB 3.44Å; Y365-S400 WeakPolarHBondContact CE1-O 3.27Å; Y365-S400 PolarHBondContact OH-O 3.17Å; E398-S400 VanDerWaalsContact CD-OG 3.3Å; E398-S400 VanDerWaalsContact OE1-CA 3.27Å; E398-S400 WeakPolarHBondContact OE1-CA 3.32Å; E398-S400 WeakPolarHBondContact OE1-CB 3.43Å; E398-S400 PolarHBondContact OE1-N 3.39Å; E398-S400 PolarHBondContact OE1-OG 3.01Å; S400-M402 PolarHBondContact OG-N 2.99Å
401G93.3Very high96.5Very high9 Ų919.3 Ų19.39%0.09311%0.112CC..  trans82.534.6-176.600000115.3E398 V399 P403 R419E398-G401 PolarHBondContact OE1-N 2.94Å; E398-G401 WeakPolarHBondContact OE2-CA 3.46Å; E398-G401 PolarHBondContact OE2-N 3.31Å; V399-G401 PolarHBondContact O-N 3.24Å; G401-P403 WeakPolarHBondContact O-CD 3.03Å; G401-R419 VanDerWaalsContact CA-CZ 3.45Å; G401-R419 VanDerWaalsContact CA-NH1 3.33Å
402M95.7Very high96.4Very high1 Ų114.9 Ų14.91%0.0059%0.091CC..  trans-51.8119.6178.8-179176.7173.100111.7R34 I348 Y365 F366 L375 E398 S400 L405R34-M402 VanDerWaalsContact NH1-CE 3.27Å; I348-M402 HydrophobicContact CD1-CB 4.19Å; I348-M402 HydrophobicContact CD1-SD 3.89Å; Y365-M402 HydrophobicContact CD1-CB 4.37Å; F366-M402 HydrophobicContact CE1-CE 4.27Å; L375-M402 HydrophobicContact CD1-CE 4.2Å; L375-M402 HydrophobicContact CD2-CE 3.83Å; L375-M402 HydrophobicContact CD2-SD 3.83Å; E398-M402 PolarHBondContact OE2-N 2.93Å; S400-M402 PolarHBondContact OG-N 2.99Å; M402-L405 HydrophobicContact CB-CB 4.45Å; M402-L405 WeakPolarHBondContact O-CB 3.35Å; M402-L405 PolarHBondContact O-N 3.12Å
403P95.9Very high96.3Very high2 Ų214.7 Ų14.71%0.0139%0.09CC..THydrogen-bonded Turntrans-61.4137176.3-24.834.4000113L24 Y362 Y365 F366 G401 L405L24-P403 HydrophobicContact CD1-CB 4.24Å; L24-P403 HydrophobicContact CD2-CB 3.87Å; L24-P403 HydrophobicContact CD2-CG 4.46Å; Y362-P403 HydrophobicContact CD1-CG 4.38Å; Y362-P403 HydrophobicContact CD2-CG 4.44Å; Y362-P403 HydrophobicContact CE1-CG 4.28Å; Y362-P403 HydrophobicContact CE2-CG 4.27Å; Y365-P403 HydrophobicContact CD2-CG 3.8Å; Y365-P403 HydrophobicContact CE2-CG 4.2Å; Y365-P403 HydrophobicContact CG-CG 4.46Å; F366-P403 HydrophobicContact CE2-CB 4.26Å; F366-P403 HydrophobicContact CE2-CG 4.17Å; F366-P403 HydrophobicContact CZ-CB 4.31Å; G401-P403 WeakPolarHBondContact O-CD 3.03Å; P403-L405 VanDerWaalsContact C-N 3.26Å; P403-L405 PolarHBondContact O-N 3.26Å
404G95.4Very high96.3Very high2 Ų214.9 Ų14.92%0.0219%0.09CC..THydrogen-bonded Turntrans81-0.1177.300000114.5C406 R407 G413 Q414 E456G404-C406 VanDerWaalsContact C-N 3.27Å; G404-C406 PolarHBondContact O-N 2.69Å; G404-R407 PolarHBondContact O-N 3.29Å; G404-R407 VanDerWaalsContact O-N 3.16Å; G404-G413 WeakPolarHBondContact O-CA 3.33Å; G404-Q414 PolarHBondContact O-N 3.4Å; G404-E456 PolarHBondContact N-OE1 3.03Å
405L97.3Very high96.2Very high0 Ų015.2 Ų15.20%09%0.094CC..THydrogen-bonded Turntrans-57.5-43.2178.5-175.775.7000111.1V344 A396 E398 M402 P403 R407 Q414 G415 F416 E456V344-L405 HydrophobicContact CG1-CD1 4.39Å; A396-L405 HydrophobicContact CB-CD2 3.76Å; A396-L405 HydrophobicContact CB-CG 4.46Å; E398-L405 HydrophobicContact CB-CD2 3.7Å; E398-L405 HydrophobicContact CG-CD2 3.6Å; M402-L405 HydrophobicContact CB-CB 4.45Å; M402-L405 WeakPolarHBondContact O-CB 3.35Å; M402-L405 PolarHBondContact O-N 3.12Å; P403-L405 VanDerWaalsContact C-N 3.26Å; P403-L405 PolarHBondContact O-N 3.26Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 2.9Å; L405-Q414 HydrophobicContact CD1-CB 3.92Å; L405-Q414 HydrophobicContact CD1-CG 4.06Å; L405-G415 PolarHBondContact O-N 3.11Å; L405-F416 HydrophobicContact CD1-CD2 3.97Å; L405-F416 HydrophobicContact CD1-CE2 4.12Å; L405-F416 HydrophobicContact CG-CD2 3.98Å; L405-F416 PolarHBondContact O-N 3.49Å; L405-E456 PolarHBondContact N-OE2 2.89Å
406C97.8Very high96.2Very high10 Ų1015.4 Ų15.47%0.06810%0.095CC..THydrogen-bonded Turntrans-97.431.3-179.6-56.10000112.8G404 F416 R419 E456G404-C406 VanDerWaalsContact C-N 3.27Å; G404-C406 PolarHBondContact O-N 2.69Å; C406-F416 CarbonylContact C-O 3.58Å; C406-F416 VanDerWaalsContact C-O 3.26Å; C406-F416 WeakPolarHBondContact CA-O 3.41Å; C406-R419 PolarHBondContact SG-N 3.23Å; C406-E456 HydrophobicContact CB-CB 4.02Å; C406-E456 HydrophobicContact CB-CG 4.18Å; C406-E456 PolarHBondContact N-OE2 3.23Å
407R97.5Very high96.2Very high45 Ų4516.8 Ų16.817%0.1710%0.103CC..SBendtrans-115.2150.5175.5-62.1-60.8-55.3178.1-0.1110.9L17 G404 L405 E411 G413 G415 G455 E456L17-R407 HydrophobicContact CD1-CB 4.47Å; L17-R407 HydrophobicContact CD1-CG 3.93Å; G404-R407 PolarHBondContact O-N 3.29Å; G404-R407 VanDerWaalsContact O-N 3.16Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 2.9Å; R407-E411 IonicContact CZ-OE2 3.86Å; R407-E411 IonicContact NE-OE2 3.52Å; R407-E411 PolarHBondContact NE-OE2 3Å; R407-E411 VanDerWaalsContact NH2-CD 3.26Å; R407-E411 IonicContact NH2-OE1 3.55Å; R407-E411 PolarHBondContact NH2-OE1 3.21Å; R407-E411 IonicContact NH2-OE2 3.59Å; R407-E411 PolarHBondContact NH2-OE2 2.72Å; R407-G413 CarbonylContact O-C 3.43Å; R407-G413 WeakPolarHBondContact O-CA 3.45Å; R407-G415 WeakPolarHBondContact O-CA 3.49Å; R407-G415 PolarHBondContact O-N 3.44Å; R407-G455 PolarHBondContact NH1-O 2.98Å; R407-E456 HydrophobicContact CG-CG 3.88Å
408P97.2Very high96.3Very high57 Ų5716 Ų1637%0.3710%0.098SC..  trans-54147.2-179.9-26.333.9000113.5S410 E411 G413P408-S410 PolarHBondContact O-N 3.5Å; P408-E411 HydrophobicContact CB-CG 4.28Å; P408-E411 HydrophobicContact CG-CG 4.38Å; P408-E411 PolarHBondContact O-N 2.96Å; P408-G413 PolarHBondContact O-N 2.98Å
409V97.4Very high96.4Very high9 Ų917.3 Ų17.36%0.05510%0.103CC..G310 helixtrans-59.3-31.2176.7-179.80000111.9Y35 F38 M379 E411 G412 G413Y35-V409 HydrophobicContact CE2-CG1 4.29Å; Y35-V409 WeakPolarHBondContact CE2-O 3.38Å; F38-V409 HydrophobicContact CD1-CG1 4.24Å; F38-V409 HydrophobicContact CE1-CG1 3.84Å; F38-V409 HydrophobicContact CE2-CG1 4.13Å; F38-V409 HydrophobicContact CZ-CG1 3.78Å; M379-V409 HydrophobicContact CB-CG1 4.24Å; M379-V409 HydrophobicContact CB-CG2 4.33Å; M379-V409 HydrophobicContact CE-CG1 3.77Å; M379-V409 HydrophobicContact CG-CG1 4.49Å; V409-E411 VanDerWaalsContact C-N 3.26Å; V409-E411 PolarHBondContact O-N 2.88Å; V409-G412 PolarHBondContact O-N 2.83Å; V409-G412 VanDerWaalsContact O-N 3.13Å; V409-G413 WeakPolarHBondContact CA-O 3.48Å
410S96.8Very high96.7Very high35 Ų3513.4 Ų13.425%0.2458%0.08CC..G310 helixtrans-67.6-23.117656.90000114P11 P12 E13 P408 G412P11-S410 VanDerWaalsContact CB-O 3.29Å; P11-S410 WeakPolarHBondContact CB-O 3.27Å; P12-S410 VanDerWaalsContact CD-O 3.3Å; P12-S410 WeakPolarHBondContact CD-O 3.48Å; E13-S410 PolarHBondContact N-O 2.87Å; E13-S410 WeakPolarHBondContact OE1-CB 3.31Å; E13-S410 PolarHBondContact OE1-OG 2.87Å; P408-S410 PolarHBondContact O-N 3.5Å; S410-G412 VanDerWaalsContact C-N 3.34Å
411E96.7Very high96.9Very high10 Ų1013.5 Ų13.55%0.0478%0.081CC..G310 helixtrans-89.2-0.6174.6-60.2-177.4-177.700112.4E13 L14 K16 L17 R407 P408 V409E13-E411 HydrophobicContact CB-CG 3.95Å; L14-E411 VanDerWaalsContact CD1-O 3.27Å; L14-E411 WeakPolarHBondContact CD1-O 3.47Å; K16-E411 HydrophobicContact CB-CG 4.23Å; K16-E411 HydrophobicContact CD-CG 4.44Å; L17-E411 HydrophobicContact CB-CB 4.39Å; L17-E411 WeakPolarHBondContact CD2-O 3.3Å; R407-E411 IonicContact CZ-OE2 3.86Å; R407-E411 IonicContact NE-OE2 3.52Å; R407-E411 PolarHBondContact NE-OE2 3Å; R407-E411 VanDerWaalsContact NH2-CD 3.26Å; R407-E411 IonicContact NH2-OE1 3.55Å; R407-E411 PolarHBondContact NH2-OE1 3.21Å; R407-E411 IonicContact NH2-OE2 3.59Å; R407-E411 PolarHBondContact NH2-OE2 2.72Å; P408-E411 HydrophobicContact CB-CG 4.28Å; P408-E411 HydrophobicContact CG-CG 4.38Å; P408-E411 PolarHBondContact O-N 2.96Å; V409-E411 VanDerWaalsContact C-N 3.26Å; V409-E411 PolarHBondContact O-N 2.88Å
412G95.3Very high97Very high10 Ų1014.6 Ų14.610%0.1038%0.084CC..THydrogen-bonded Turntrans91.45.1-175.700000114.8V409 S410V409-G412 PolarHBondContact O-N 2.83Å; V409-G412 VanDerWaalsContact O-N 3.13Å; S410-G412 VanDerWaalsContact C-N 3.34Å
413G96.5Very high96.8Very high1 Ų117.6 Ų17.61%0.0111%0.109CC..SBendtrans-81.9-178174.900000114.3G404 R407 P408 V409G404-G413 WeakPolarHBondContact O-CA 3.33Å; R407-G413 CarbonylContact O-C 3.43Å; R407-G413 WeakPolarHBondContact O-CA 3.45Å; P408-G413 PolarHBondContact O-N 2.98Å; V409-G413 WeakPolarHBondContact CA-O 3.48Å
414Q97.3Very high96.9Very high4 Ų417.7 Ų17.72%0.01911%0.109CC..  trans-91.5-10.9178.3-78.857.561.700113.2L375 M379 N382 G404 L405 F416L375-Q414 HydrophobicContact CD2-CG 3.61Å; M379-Q414 HydrophobicContact CG-CG 4.41Å; N382-Q414 WeakPolarHBondContact CB-O 3.28Å; N382-Q414 PolarHBondContact ND2-O 3.14Å; G404-Q414 PolarHBondContact O-N 3.4Å; L405-Q414 HydrophobicContact CD1-CB 3.92Å; L405-Q414 HydrophobicContact CD1-CG 4.06Å; Q414-F416 HydrophobicContact CB-CD2 4.2Å; Q414-F416 HydrophobicContact CB-CE2 4.46Å
415G97.8Very high96.9Very high8 Ų817.7 Ų17.78%0.08211%0.109CC..  trans86.913.9170.200000116N382 H386 L405 R407N382-G415 WeakPolarHBondContact CB-O 3.29Å; N382-G415 VanDerWaalsContact CG-C 3.44Å; N382-G415 VanDerWaalsContact CG-O 3.23Å; N382-G415 PolarHBondContact OD1-O 2.94Å; H386-G415 PolarHBondContact CE1-O 2.79Å; H386-G415 VanDerWaalsContact CE1-O 3.26Å; L405-G415 PolarHBondContact O-N 3.11Å; R407-G415 WeakPolarHBondContact O-CA 3.49Å; R407-G415 PolarHBondContact O-N 3.44Å
416F98.6Very high96.6Very high5 Ų522.4 Ų22.42%0.02213%0.134CC..  trans-69.9148171.3-73.2-82.1000111.4F341 V344 L378 T394 A396 L405 C406 Q414F341-F416 HydrophobicContact CB-CE1 3.88Å; F341-F416 HydrophobicContact CB-CZ 4.02Å; F341-F416 AromaticContact CD2-CE1 3.57Å; F341-F416 HydrophobicContact CD2-CE1 3.57Å; F341-F416 HydrophobicContact CD2-CZ 4.22Å; F341-F416 HydrophobicContact CE2-CE1 4.23Å; F341-F416 AromaticContact CG-CE1 3.81Å; F341-F416 HydrophobicContact CG-CE1 3.81Å; F341-F416 HydrophobicContact CG-CZ 4.04Å; V344-F416 HydrophobicContact CG2-CZ 4.2Å; L378-F416 HydrophobicContact CB-CE2 4.36Å; L378-F416 HydrophobicContact CD1-CE2 4.17Å; L378-F416 HydrophobicContact CD2-CE2 4.22Å; L378-F416 HydrophobicContact CD2-CZ 3.86Å; L378-F416 HydrophobicContact CG-CE2 4.48Å; T394-F416 WeakPolarHBondContact OG1-CA 3.28Å; A396-F416 HydrophobicContact CB-CB 4.43Å; A396-F416 HydrophobicContact CB-CD1 3.82Å; A396-F416 HydrophobicContact CB-CD2 3.97Å; A396-F416 HydrophobicContact CB-CE1 3.92Å; A396-F416 HydrophobicContact CB-CE2 4.08Å; A396-F416 HydrophobicContact CB-CG 3.82Å; A396-F416 HydrophobicContact CB-CZ 4.04Å; L405-F416 HydrophobicContact CD1-CD2 3.97Å; L405-F416 HydrophobicContact CD1-CE2 4.12Å; L405-F416 HydrophobicContact CG-CD2 3.98Å; L405-F416 PolarHBondContact O-N 3.49Å; C406-F416 CarbonylContact C-O 3.58Å; C406-F416 VanDerWaalsContact C-O 3.26Å; C406-F416 WeakPolarHBondContact CA-O 3.41Å; Q414-F416 HydrophobicContact CB-CD2 4.2Å; Q414-F416 HydrophobicContact CB-CE2 4.46Å
417D98.2Very high96.5Very high29 Ų2924 Ų2416%0.15514%0.14CC..SBendtrans-79.1-38.8172.3-70.8-82.6000111.9K178 H386 V393 T394K178-D417 IonicContact NZ-OD1 2.7Å; K178-D417 PolarHBondContact NZ-OD1 3.39Å; K178-D417 IonicContact NZ-OD2 3.51Å; H386-D417 IonicContact CE1-OD2 2.7Å; H386-D417 IonicContact NE2-OD1 3.9Å; H386-D417 IonicContact NE2-OD2 2.68Å; H386-D417 PolarHBondContact NE2-OD2 2.94Å; H386-D417 VanDerWaalsContact NE2-OD2 3.1Å; V393-D417 VanDerWaalsContact CA-OD2 3.23Å; V393-D417 WeakPolarHBondContact CA-OD2 3.47Å; V393-D417 HydrophobicContact CG1-CB 4.44Å; T394-D417 PolarHBondContact N-OD2 3.19Å; T394-D417 WeakPolarHBondContact O-CB 3.2Å; T394-D417 PolarHBondContact O-N 3.36Å
418Y98.4Very high96.5Very high6 Ų621.9 Ų21.92%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-140.5158.9-175.8-62.1-98.1000112L182 V393 T394 I395 A396 K457 I459 E518L182-Y418 HydrophobicContact CD1-CD2 3.99Å; L182-Y418 HydrophobicContact CD1-CE2 3.66Å; L182-Y418 HydrophobicContact CG-CE2 4.34Å; V393-Y418 HydrophobicContact CG1-CD2 4.09Å; V393-Y418 HydrophobicContact CG1-CE2 4.26Å; T394-Y418 PolarHBondContact O-N 3.2Å; I395-Y418 CarbonylContact C-O 3.16Å; I395-Y418 VanDerWaalsContact CA-O 3.31Å; I395-Y418 WeakPolarHBondContact CA-O 3.5Å; A396-Y418 PolarHBondContact N-O 3.34Å; Y418-K457 VanDerWaalsContact CA-O 3.27Å; Y418-K457 WeakPolarHBondContact CA-O 3.34Å; Y418-K457 HydrophobicContact CD1-CB 3.35Å; Y418-K457 HydrophobicContact CD1-CD 4.14Å; Y418-K457 HydrophobicContact CD1-CG 4.42Å; Y418-K457 HydrophobicContact CE1-CB 3.52Å; Y418-K457 HydrophobicContact CE1-CD 3.52Å; Y418-K457 HydrophobicContact CE1-CG 4.16Å; Y418-K457 HydrophobicContact CE2-CD 4.26Å; Y418-K457 HydrophobicContact CG-CB 4.1Å; Y418-I459 HydrophobicContact CD1-CD1 3.34Å; Y418-I459 HydrophobicContact CD1-CG1 3.98Å; Y418-I459 HydrophobicContact CD2-CD1 4.4Å; Y418-I459 HydrophobicContact CE1-CD1 3.8Å; Y418-I459 HydrophobicContact CG-CD1 3.71Å; Y418-I459 HydrophobicContact CG-CG1 4.05Å; Y418-E518 HydrophobicContact CE1-CB 4.31Å
419R97.9Very high96.3Very high28 Ų2820.2 Ų20.211%0.10612%0.12CC..EExtended strand (participates in β ladder)trans-121.5156.4161.261.6-177.8-60.9-132-5111.7A396 E398 G401 C406 K457 N458 I459A396-R419 WeakPolarHBondContact O-CA 3.34Å; E398-R419 PolarHBondContact O-NH2 3.39Å; E398-R419 IonicContact OE2-CZ 3.67Å; E398-R419 IonicContact OE2-NE 3.83Å; E398-R419 IonicContact OE2-NH2 3.67Å; E398-R419 PolarHBondContact OE2-NH2 3.06Å; G401-R419 VanDerWaalsContact CA-CZ 3.45Å; G401-R419 VanDerWaalsContact CA-NH1 3.33Å; C406-R419 PolarHBondContact SG-N 3.23Å; R419-K457 PolarHBondContact N-O 2.62Å; R419-N458 WeakPolarHBondContact CG-OD1 3.33Å; R419-N458 CarbonylContact O-C 3.58Å; R419-N458 VanDerWaalsContact O-CA 3.27Å; R419-N458 WeakPolarHBondContact O-CA 3.22Å; R419-I459 PolarHBondContact O-N 3.23Å
420L97.8Very high96.1Very high4 Ų422.4 Ų22.42%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-73.9135.3172.4-67.9-165.5000111.5I395 A396 E397 M422 I459 Y461 L521I395-L420 HydrophobicContact CG2-CD2 3.79Å; I395-L420 HydrophobicContact CG2-CG 4.15Å; A396-L420 PolarHBondContact O-N 3.12Å; E397-L420 HydrophobicContact CB-CD1 4.23Å; E397-L420 HydrophobicContact CG-CD1 4.17Å; L420-M422 VanDerWaalsContact C-N 3.27Å; L420-M422 HydrophobicContact CB-CG 3.81Å; L420-M422 PolarHBondContact O-N 3.41Å; L420-I459 HydrophobicContact CD2-CB 3.82Å; L420-I459 HydrophobicContact CD2-CG1 4.37Å; L420-I459 HydrophobicContact CD2-CG2 4.11Å; L420-Y461 HydrophobicContact CB-CE1 3.95Å; L420-Y461 HydrophobicContact CD1-CE1 4.39Å; L420-Y461 HydrophobicContact CD2-CE1 4.28Å; L420-Y461 HydrophobicContact CG-CE1 4.43Å; L420-L521 HydrophobicContact CD2-CD1 4.48Å
421A96.3Very high96.1Very high8 Ų820.9 Ų20.97%0.06613%0.128CC..  trans-84.564.7176.400000111.8A423 I424 N458 I459A421-A423 PolarHBondContact O-N 3.13Å; A421-A423 VanDerWaalsContact O-N 3.13Å; A421-I424 HydrophobicContact CB-CD1 3.61Å; A421-I424 HydrophobicContact CB-CG1 4.15Å; A421-I424 PolarHBondContact O-N 3.38Å; A421-I424 VanDerWaalsContact O-N 3.15Å; A421-N458 HydrophobicContact CB-CB 4.29Å; A421-I459 WeakPolarHBondContact CB-O 3.22Å; A421-I459 PolarHBondContact N-O 2.85Å
422M94Very high96Very high33 Ų3321.5 Ų21.516%0.16313%0.131CC..THydrogen-bonded Turntrans-65-19.3-167.2-52.6-173.870.600115.1E397 V399 L420 I424 P425 Y461E397-M422 HydrophobicContact CG-CE 3.99Å; E397-M422 HydrophobicContact CG-SD 3.94Å; V399-M422 HydrophobicContact CB-SD 4.08Å; V399-M422 HydrophobicContact CG1-CB 3.87Å; V399-M422 HydrophobicContact CG1-CE 4.47Å; V399-M422 HydrophobicContact CG1-CG 4.43Å; V399-M422 HydrophobicContact CG1-SD 3.93Å; V399-M422 HydrophobicContact CG2-CE 4.17Å; V399-M422 HydrophobicContact CG2-SD 3.72Å; L420-M422 VanDerWaalsContact C-N 3.27Å; L420-M422 HydrophobicContact CB-CG 3.81Å; L420-M422 PolarHBondContact O-N 3.41Å; M422-I424 VanDerWaalsContact C-N 3.31Å; M422-I424 PolarHBondContact O-N 3.13Å; M422-P425 WeakPolarHBondContact O-CD 3.49Å; M422-Y461 WeakPolarHBondContact CA-OH 3.41Å; M422-Y461 WeakPolarHBondContact CG-OH 3.3Å
423A93.4Very high95.8Very high64 Ų6428.1 Ų28.153%0.52916%0.157SC..Hα-helixtrans-74.2-17.6177.300000114A421 K427A421-A423 PolarHBondContact O-N 3.13Å; A421-A423 VanDerWaalsContact O-N 3.13Å; A423-K427 PolarHBondContact O-N 2.82Å
424I96.6Very high95.2Very high4 Ų431.3 Ų31.32%0.02119%0.19CC..Hα-helixtrans-69.9-50.8-175.9-61.8174.8000112A421 M422 D426 K427 W428 L449 A460 T512A421-I424 HydrophobicContact CB-CD1 3.61Å; A421-I424 HydrophobicContact CB-CG1 4.15Å; A421-I424 PolarHBondContact O-N 3.38Å; A421-I424 VanDerWaalsContact O-N 3.15Å; M422-I424 VanDerWaalsContact C-N 3.31Å; M422-I424 PolarHBondContact O-N 3.13Å; I424-D426 VanDerWaalsContact C-N 3.3Å; I424-D426 PolarHBondContact O-N 3.44Å; I424-K427 WeakPolarHBondContact O-CB 3.39Å; I424-K427 PolarHBondContact O-N 2.86Å; I424-K427 VanDerWaalsContact O-N 3.13Å; I424-W428 PolarHBondContact O-N 2.72Å; I424-L449 HydrophobicContact CD1-CD2 3.93Å; I424-L449 HydrophobicContact CG1-CD2 4.08Å; I424-L449 HydrophobicContact CG2-CD2 3.69Å; I424-A460 HydrophobicContact CD1-CB 4.06Å; I424-T512 HydrophobicContact CD1-CG2 4.31Å; I424-T512 HydrophobicContact CG2-CG2 3.69Å
425P95.5Very high95.1Very high2 Ų234.5 Ų34.51%0.01321%0.206CC..Hα-helixtrans-55.1-43.3175.3-24.129.5000113.6M422 K427 W428 I429 Y461 A462M422-P425 WeakPolarHBondContact O-CD 3.49Å; P425-K427 PolarHBondContact O-N 3.23Å; P425-W428 PolarHBondContact O-N 2.96Å; P425-I429 WeakPolarHBondContact O-CG1 3.45Å; P425-I429 PolarHBondContact O-N 3.09Å; P425-Y461 HydrophobicContact CB-CE2 4.49Å; P425-Y461 HydrophobicContact CG-CD2 3.51Å; P425-Y461 HydrophobicContact CG-CE2 3.22Å; P425-A462 WeakPolarHBondContact CA-O 3.42Å
426D92.4Very high95Very high98 Ų9841 Ų4152%0.52423%0.228SC..Hα-helixtrans-58.3-38.4178.3-71.9-17.4000111.9I424 I429 A430I424-D426 VanDerWaalsContact C-N 3.3Å; I424-D426 PolarHBondContact O-N 3.44Å; D426-I429 PolarHBondContact O-N 3.33Å; D426-A430 VanDerWaalsContact O-CB 3.3Å; D426-A430 WeakPolarHBondContact O-CB 3.27Å; D426-A430 PolarHBondContact O-N 2.76Å
427K95.2Very high94.9Very high44 Ų4441.4 Ų41.419%0.19123%0.231CC..Hα-helixtrans-63.8-42.5176-176.661.8174.3-179.70111.7A423 I424 P425 A430 L431 L445 T448A423-K427 PolarHBondContact O-N 2.82Å; I424-K427 WeakPolarHBondContact O-CB 3.39Å; I424-K427 PolarHBondContact O-N 2.86Å; I424-K427 VanDerWaalsContact O-N 3.13Å; P425-K427 PolarHBondContact O-N 3.23Å; K427-A430 PolarHBondContact O-N 3.4Å; K427-L431 HydrophobicContact CG-CD1 4.4Å; K427-L431 WeakPolarHBondContact O-CG 3.45Å; K427-L431 PolarHBondContact O-N 2.93Å; K427-L445 HydrophobicContact CG-CD1 4.5Å; K427-T448 HydrophobicContact CB-CG2 3.62Å; K427-T448 HydrophobicContact CD-CG2 4.47Å; K427-T448 HydrophobicContact CG-CG2 3.85Å
428W96.7Very high94.7Very high1 Ų144.1 Ų44.10%0.00424%0.243CC..Hα-helixtrans-65.8-43.5177.6-68.4124.7000112.2I424 P425 A430 L431 L432 W440 L445 L475 I508 I511 T512I424-W428 PolarHBondContact O-N 2.72Å; P425-W428 PolarHBondContact O-N 2.96Å; W428-A430 VanDerWaalsContact C-N 3.34Å; W428-A430 PolarHBondContact O-N 3.3Å; W428-L431 HydrophobicContact CE3-CD1 3.89Å; W428-L431 HydrophobicContact CZ3-CD1 3.97Å; W428-L431 PolarHBondContact O-N 3.06Å; W428-L432 WeakPolarHBondContact O-CB 3.35Å; W428-L432 VanDerWaalsContact O-CG 3.29Å; W428-L432 WeakPolarHBondContact O-CG 3.44Å; W428-L432 PolarHBondContact O-N 2.65Å; W428-W440 HydrophobicContact CZ3-CZ3 4.3Å; W428-L445 HydrophobicContact CE3-CD1 4.37Å; W428-L445 HydrophobicContact CH2-CD1 3.35Å; W428-L445 HydrophobicContact CH2-CD2 3.7Å; W428-L445 HydrophobicContact CH2-CG 4.13Å; W428-L445 HydrophobicContact CZ2-CD1 3.66Å; W428-L445 HydrophobicContact CZ3-CD1 3.72Å; W428-L445 HydrophobicContact CZ3-CD2 4.06Å; W428-L475 HydrophobicContact CB-CD2 3.95Å; W428-I508 HydrophobicContact CD2-CG1 4.26Å; W428-I508 HydrophobicContact CD2-CG2 3.72Å; W428-I508 HydrophobicContact CE3-CD1 4.11Å; W428-I508 HydrophobicContact CE3-CG1 3.85Å; W428-I508 HydrophobicContact CE3-CG2 4.2Å; W428-I508 HydrophobicContact CG-CG2 4.03Å; W428-I508 HydrophobicContact CH2-CB 4.38Å; W428-I508 HydrophobicContact CH2-CG1 3.92Å; W428-I508 HydrophobicContact CH2-CG2 4.39Å; W428-I508 HydrophobicContact CZ2-CB 4.34Å; W428-I508 HydrophobicContact CZ2-CG1 4.33Å; W428-I508 HydrophobicContact CZ2-CG2 3.95Å; W428-I508 HydrophobicContact CZ3-CD1 4.34Å; W428-I508 HydrophobicContact CZ3-CG1 3.69Å; W428-I511 HydrophobicContact CH2-CG2 3.7Å; W428-I511 HydrophobicContact CZ2-CG2 3.53Å; W428-T512 PolarHBondContact NE1-OG1 2.65Å
429I92.9Very high94.7Very high22 Ų2247.8 Ų47.811%0.11326%0.263CS..Hα-helixtrans-60.5-46174.8-62.6167.5000110.4P425 D426 L431 L432 K433 Q467 W478P425-I429 WeakPolarHBondContact O-CG1 3.45Å; P425-I429 PolarHBondContact O-N 3.09Å; D426-I429 PolarHBondContact O-N 3.33Å; I429-L431 VanDerWaalsContact C-N 3.3Å; I429-L431 PolarHBondContact O-N 2.86Å; I429-L432 PolarHBondContact O-N 3.41Å; I429-K433 HydrophobicContact CG2-CD 4.5Å; I429-K433 WeakPolarHBondContact O-CB 3.33Å; I429-K433 PolarHBondContact O-N 3.44Å; I429-Q467 HydrophobicContact CD1-CG 3.49Å; I429-Q467 VanDerWaalsContact CD1-CG 3.49Å; I429-Q467 HydrophobicContact CG1-CG 4.25Å; I429-W478 HydrophobicContact CG2-CZ2 4.36Å
430A93.6Very high94.7Very high55 Ų5546.6 Ų46.646%0.45526%0.258SS..Hα-helixtrans-59.1-42.2179.800000112.1D426 K427 W428D426-A430 VanDerWaalsContact O-CB 3.3Å; D426-A430 WeakPolarHBondContact O-CB 3.27Å; D426-A430 PolarHBondContact O-N 2.76Å; K427-A430 PolarHBondContact O-N 3.4Å; W428-A430 VanDerWaalsContact C-N 3.34Å; W428-A430 PolarHBondContact O-N 3.3Å
431L96.2Very high94.7Very high3 Ų349.3 Ų49.32%0.01627%0.272CS..Hα-helixtrans-64.9-47.9175.2-70.8172.2000111.5K427 W428 I429 I435 W440 L445K427-L431 HydrophobicContact CG-CD1 4.4Å; K427-L431 WeakPolarHBondContact O-CG 3.45Å; K427-L431 PolarHBondContact O-N 2.93Å; W428-L431 HydrophobicContact CE3-CD1 3.89Å; W428-L431 HydrophobicContact CZ3-CD1 3.97Å; W428-L431 PolarHBondContact O-N 3.06Å; I429-L431 VanDerWaalsContact C-N 3.3Å; I429-L431 PolarHBondContact O-N 2.86Å; L431-I435 HydrophobicContact CD2-CD1 4.15Å; L431-I435 PolarHBondContact O-N 2.98Å; L431-W440 HydrophobicContact CB-CD2 4.43Å; L431-W440 HydrophobicContact CB-CZ2 4.14Å; L431-W440 HydrophobicContact CD1-CD2 4.44Å; L431-W440 HydrophobicContact CD2-CB 4.37Å; L431-W440 HydrophobicContact CD2-CD2 4.33Å; L431-W440 HydrophobicContact CD2-CG 3.96Å; L431-L445 HydrophobicContact CD1-CD1 4.37Å
432L95.3Very high94.7Very high22 Ų2248.9 Ų48.912%0.11527%0.269CS..Hα-helixtrans-74-30.3-174.2-69.3171000114.1W428 I429 W440 L475 W478 L479 I508W428-L432 WeakPolarHBondContact O-CB 3.35Å; W428-L432 VanDerWaalsContact O-CG 3.29Å; W428-L432 WeakPolarHBondContact O-CG 3.44Å; W428-L432 PolarHBondContact O-N 2.65Å; I429-L432 PolarHBondContact O-N 3.41Å; L432-W440 HydrophobicContact CD2-CH2 4.15Å; L432-W440 HydrophobicContact CD2-CZ2 3.91Å; L432-L475 HydrophobicContact CD1-CD2 3.5Å; L432-W478 HydrophobicContact CB-CB 4.12Å; L432-W478 HydrophobicContact CB-CG 4.3Å; L432-W478 HydrophobicContact CD1-CB 3.89Å; L432-W478 HydrophobicContact CD1-CG 4.42Å; L432-L479 HydrophobicContact CD2-CD2 3.49Å; L432-L479 VanDerWaalsContact CD2-CD2 3.49Å; L432-L479 HydrophobicContact CD2-CG 4.07Å; L432-I508 HydrophobicContact CD1-CD1 4.46Å
433K90.9Very high94.9Very high150 Ų15048 Ų4865%0.65227%0.268SS*.Hα-helixtrans-79.3-31.8-175.1-177171.3-178.2174.90113.5I429 W478I429-K433 HydrophobicContact CG2-CD 4.5Å; I429-K433 WeakPolarHBondContact O-CB 3.33Å; I429-K433 PolarHBondContact O-N 3.44Å; K433-W478 HydrophobicContact CB-CH2 3.84Å; K433-W478 HydrophobicContact CB-CZ2 4.4Å; K433-W478 HydrophobicContact CB-CZ3 3.89Å; K433-W478 HydrophobicContact CD-CH2 3.81Å; K433-W478 HydrophobicContact CD-CZ2 4.27Å; K433-W478 HydrophobicContact CG-CH2 3.61Å; K433-W478 HydrophobicContact CG-CZ2 4.42Å; K433-W478 HydrophobicContact CG-CZ3 3.93Å
434G83.7Confident95.1Very high68 Ų6848.8 Ų48.870%0.70126%0.264SS*.Hα-helixtrans-141.2-4.4-165.200000117
435I95.3Very high95.1Very high70 Ų7048.6 Ų48.636%0.35926%0.263SS..  trans-125.7126.4-172.1-52.3178.2000109.4L431 D439 W440L431-I435 HydrophobicContact CD2-CD1 4.15Å; L431-I435 PolarHBondContact O-N 2.98Å; I435-D439 HydrophobicContact CG2-CB 3.68Å; I435-W440 PolarHBondContact O-NE1 2.94Å; I435-W440 VanDerWaalsContact O-NE1 3.16Å
436R95.5Very high95.2Very high145 Ų14548.5 Ų48.555%0.54726%0.262SS..  trans-66.1149.9175.7-58.8179.4-62.4152.2-1.4110.2E438 D439 W440R436-E438 VanDerWaalsContact C-N 3.26Å; R436-E438 HydrophobicContact CB-CG 4.23Å; R436-E438 IonicContact CZ-OE1 2.79Å; R436-E438 IonicContact NE-OE1 3.86Å; R436-E438 IonicContact NH1-OE1 3.82Å; R436-E438 PolarHBondContact NH1-OE1 3.16Å; R436-E438 PolarHBondContact O-N 3.3Å; R436-D439 IonicContact CZ-OD2 2.99Å; R436-D439 IonicContact NE-OD2 2.57Å; R436-D439 PolarHBondContact NE-OD2 2.91Å; R436-D439 IonicContact NH2-OD1 3.94Å; R436-D439 PolarHBondContact NH2-OD1 2.97Å; R436-D439 IonicContact NH2-OD2 2.72Å; R436-D439 PolarHBondContact NH2-OD2 3.24Å; R436-D439 WeakPolarHBondContact O-CA 3.2Å; R436-D439 WeakPolarHBondContact O-CB 3.21Å; R436-D439 PolarHBondContact O-N 3.42Å; R436-W440 PolarHBondContact O-N 2.69Å
437D96.2Very high95.5Very high13 Ų1349.5 Ų49.57%0.0726%0.262CS..G310 helixtrans-52.4-42.6-178.1-62.73.2000112.4D439 W440 R500 P614 R675D437-D439 PolarHBondContact O-N 3.21Å; D437-W440 WeakPolarHBondContact O-CB 3.43Å; D437-W440 PolarHBondContact O-N 3.01Å; D437-R500 IonicContact OD1-CZ 3.32Å; D437-R500 IonicContact OD1-NE 2.87Å; D437-R500 PolarHBondContact OD1-NE 3.21Å; D437-R500 IonicContact OD1-NH2 3.67Å; D437-R500 PolarHBondContact OD1-NH2 3.5Å; D437-R500 IonicContact OD2-CZ 3.61Å; D437-R500 IonicContact OD2-NE 2.72Å; D437-R500 PolarHBondContact OD2-NE 2.66Å; D437-R500 IonicContact OD2-NH2 3.49Å; D437-P614 HydrophobicContact CB-CB 4.11Å; D437-P614 HydrophobicContact CB-CG 4.34Å; D437-R675 IonicContact OD2-CZ 2.87Å; D437-R675 IonicContact OD2-NE 3.21Å; D437-R675 IonicContact OD2-NH2 3.95Å; D437-R675 PolarHBondContact OD2-NH2 3.27Å
438E95.6Very high95.6Very high87 Ų8748.9 Ų48.941%0.40726%0.262SS..G310 helixtrans-64.9-19.5176.856.1-95.9-156.500114.8R436 K597 P614R436-E438 VanDerWaalsContact C-N 3.26Å; R436-E438 HydrophobicContact CB-CG 4.23Å; R436-E438 IonicContact CZ-OE1 2.79Å; R436-E438 IonicContact NE-OE1 3.86Å; R436-E438 IonicContact NH1-OE1 3.82Å; R436-E438 PolarHBondContact NH1-OE1 3.16Å; R436-E438 PolarHBondContact O-N 3.3Å; E438-K597 VanDerWaalsContact C-CE 3.46Å; E438-K597 WeakPolarHBondContact O-CE 3.46Å; E438-K597 PolarHBondContact O-NZ 3.44Å; E438-P614 HydrophobicContact CB-CG 4.45Å
439D96.9Very high95.6Very high83 Ų8348.9 Ų48.944%0.44426%0.262SS..G310 helixtrans-99.20.4-179.4-60.4-36.1000112.2I435 R436 D437 N441I435-D439 HydrophobicContact CG2-CB 3.68Å; R436-D439 IonicContact CZ-OD2 2.99Å; R436-D439 IonicContact NE-OD2 2.57Å; R436-D439 PolarHBondContact NE-OD2 2.91Å; R436-D439 IonicContact NH2-OD1 3.94Å; R436-D439 PolarHBondContact NH2-OD1 2.97Å; R436-D439 IonicContact NH2-OD2 2.72Å; R436-D439 PolarHBondContact NH2-OD2 3.24Å; R436-D439 WeakPolarHBondContact O-CA 3.2Å; R436-D439 WeakPolarHBondContact O-CB 3.21Å; R436-D439 PolarHBondContact O-N 3.42Å; D437-D439 PolarHBondContact O-N 3.21Å; D439-N441 PolarHBondContact O-N 3.25Å
440W97.8Very high95.8Very high3 Ų351 Ų511%0.01127%0.271CS..  trans-63.6126.8175.5-72.413.9000110.7W428 L431 L432 I435 R436 D437 M442 L504 K597 F612W428-W440 HydrophobicContact CZ3-CZ3 4.3Å; L431-W440 HydrophobicContact CB-CD2 4.43Å; L431-W440 HydrophobicContact CB-CZ2 4.14Å; L431-W440 HydrophobicContact CD1-CD2 4.44Å; L431-W440 HydrophobicContact CD2-CB 4.37Å; L431-W440 HydrophobicContact CD2-CD2 4.33Å; L431-W440 HydrophobicContact CD2-CG 3.96Å; L432-W440 HydrophobicContact CD2-CH2 4.15Å; L432-W440 HydrophobicContact CD2-CZ2 3.91Å; I435-W440 PolarHBondContact O-NE1 2.94Å; I435-W440 VanDerWaalsContact O-NE1 3.16Å; R436-W440 PolarHBondContact O-N 2.69Å; D437-W440 WeakPolarHBondContact O-CB 3.43Å; D437-W440 PolarHBondContact O-N 3.01Å; W440-M442 HydrophobicContact CB-CE 3.58Å; W440-L504 HydrophobicContact CH2-CD1 4.2Å; W440-L504 HydrophobicContact CZ3-CD2 4.44Å; W440-K597 WeakPolarHBondContact O-CD 3.37Å; W440-K597 WeakPolarHBondContact O-CE 3.3Å; W440-K597 PolarHBondContact O-NZ 3.41Å; W440-F612 HydrophobicContact CE3-CD1 4.18Å; W440-F612 AromaticContact CZ3-CD1 3.9Å; W440-F612 HydrophobicContact CZ3-CD1 3.9Å; W440-F612 HydrophobicContact CZ3-CE1 4.14Å
441N97.7Very high95.8Very high60 Ų6053.5 Ų53.532%0.32128%0.277SS..  trans-88.4112.6176.1-175.1-42.5000109.8D439 G443 D444 L445 E594D439-N441 PolarHBondContact O-N 3.25Å; N441-G443 WeakPolarHBondContact OD1-CA 3.47Å; N441-G443 PolarHBondContact OD1-N 3.39Å; N441-D444 HydrophobicContact CB-CB 4.05Å; N441-D444 VanDerWaalsContact CG-CG 3.44Å; N441-D444 PolarHBondContact ND2-OD2 3.29Å; N441-D444 PolarHBondContact OD1-N 3.19Å; N441-L445 PolarHBondContact O-N 3.14Å; N441-L445 VanDerWaalsContact O-N 3.14Å; N441-E594 WeakPolarHBondContact CA-OE2 3.37Å; N441-E594 PolarHBondContact OD1-OE1 3.27Å
442M97.9Very high95.7Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-69.1-37.4-177.6-61.4-62.291.700111.3W440 L445 V446 E594 K597 V599 F612W440-M442 HydrophobicContact CB-CE 3.58Å; M442-L445 PolarHBondContact O-N 2.91Å; M442-V446 WeakPolarHBondContact O-CB 3.35Å; M442-V446 VanDerWaalsContact O-CG2 3.31Å; M442-V446 WeakPolarHBondContact O-CG2 3.34Å; M442-V446 PolarHBondContact O-N 3.07Å; M442-E594 PolarHBondContact N-OE1 3.17Å; M442-E594 PolarHBondContact N-OE2 3.06Å; M442-K597 HydrophobicContact CE-CD 4Å; M442-K597 HydrophobicContact CG-CD 4.15Å; M442-K597 HydrophobicContact SD-CB 4.41Å; M442-K597 HydrophobicContact SD-CD 4.29Å; M442-V599 HydrophobicContact CB-CG2 3.88Å; M442-V599 HydrophobicContact CG-CG2 4.12Å; M442-V599 HydrophobicContact SD-CG2 3.81Å; M442-F612 HydrophobicContact CE-CB 4.34Å; M442-F612 HydrophobicContact SD-CB 4.03Å; M442-F612 HydrophobicContact SD-CD2 3.9Å; M442-F612 HydrophobicContact SD-CG 4.23Å
443G97.5Very high95.7Very high14 Ų1457.5 Ų57.514%0.14429%0.291CS..Hα-helixtrans-58.6-47.7174.600000112.7N441 F447 E594N441-G443 WeakPolarHBondContact OD1-CA 3.47Å; N441-G443 PolarHBondContact OD1-N 3.39Å; G443-F447 VanDerWaalsContact O-CB 3.24Å; G443-F447 WeakPolarHBondContact O-CB 3.49Å; G443-F447 PolarHBondContact O-N 3.24Å; G443-E594 PolarHBondContact N-OE1 2.78Å
444D97Very high95.7Very high80 Ų8058.6 Ų58.643%0.42829%0.292SS..Hα-helixtrans-67.8-37.2178.8-67.7-11.2000112N441 T448N441-D444 HydrophobicContact CB-CB 4.05Å; N441-D444 VanDerWaalsContact CG-CG 3.44Å; N441-D444 PolarHBondContact ND2-OD2 3.29Å; N441-D444 PolarHBondContact OD1-N 3.19Å; D444-T448 PolarHBondContact O-N 3.25Å; D444-T448 PolarHBondContact O-OG1 3.16Å
445L97.5Very high96Very high1 Ų157 Ų571%0.00528%0.276CS..Hα-helixtrans-63.2-53.4175.5171.959.9000110.7K427 W428 L431 N441 M442 F447 T448 L449 I511 F612K427-L445 HydrophobicContact CG-CD1 4.5Å; W428-L445 HydrophobicContact CE3-CD1 4.37Å; W428-L445 HydrophobicContact CH2-CD1 3.35Å; W428-L445 HydrophobicContact CH2-CD2 3.7Å; W428-L445 HydrophobicContact CH2-CG 4.13Å; W428-L445 HydrophobicContact CZ2-CD1 3.66Å; W428-L445 HydrophobicContact CZ3-CD1 3.72Å; W428-L445 HydrophobicContact CZ3-CD2 4.06Å; L431-L445 HydrophobicContact CD1-CD1 4.37Å; N441-L445 PolarHBondContact O-N 3.14Å; N441-L445 VanDerWaalsContact O-N 3.14Å; M442-L445 PolarHBondContact O-N 2.91Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 PolarHBondContact O-N 2.78Å; L445-T448 PolarHBondContact O-N 2.78Å; L445-L449 HydrophobicContact CD1-CD1 3.99Å; L445-L449 HydrophobicContact CD1-CG 4.33Å; L445-L449 HydrophobicContact CG-CD1 4.22Å; L445-L449 WeakPolarHBondContact O-CG 3.49Å; L445-L449 PolarHBondContact O-N 3.39Å; L445-L449 VanDerWaalsContact O-N 3.13Å; L445-I511 HydrophobicContact CD2-CD1 4.27Å; L445-F612 HydrophobicContact CD2-CE2 4.38Å; L445-F612 HydrophobicContact CD2-CZ 4.41Å
446V98Very high96.1Very high0 Ų054.4 Ų54.40%026%0.262CS..Hα-helixtrans-58.7-44.3177.3168.30000110.3M442 T448 L449 E450 L515 T589 K592 V599M442-V446 WeakPolarHBondContact O-CB 3.35Å; M442-V446 VanDerWaalsContact O-CG2 3.31Å; M442-V446 WeakPolarHBondContact O-CG2 3.34Å; M442-V446 PolarHBondContact O-N 3.07Å; V446-T448 VanDerWaalsContact C-N 3.33Å; V446-T448 PolarHBondContact O-N 3.24Å; V446-L449 PolarHBondContact O-N 3.02Å; V446-E450 HydrophobicContact CG1-CG 4.17Å; V446-E450 WeakPolarHBondContact CG1-OE2 3.43Å; V446-E450 WeakPolarHBondContact O-CB 3.41Å; V446-E450 WeakPolarHBondContact O-CG 3.39Å; V446-E450 PolarHBondContact O-N 2.75Å; V446-L515 HydrophobicContact CG1-CD2 4.35Å; V446-L515 HydrophobicContact CG2-CD2 4.37Å; V446-T589 HydrophobicContact CG1-CG2 3.96Å; V446-T589 HydrophobicContact CG2-CG2 4.48Å; V446-K592 HydrophobicContact CB-CD 4.44Å; V446-K592 HydrophobicContact CG1-CD 4.28Å; V446-K592 HydrophobicContact CG2-CB 4.34Å; V446-V599 HydrophobicContact CG2-CG1 3.73Å; V446-V599 HydrophobicContact CG2-CG2 4.14Å
447F97.7Very high96.1Very high119 Ų11951.6 Ų51.652%0.52225%0.254SS..Hα-helixtrans-56.8-46176.7177.4-98.5000111.6G443 L445 L449 E450 N451G443-F447 VanDerWaalsContact O-CB 3.24Å; G443-F447 WeakPolarHBondContact O-CB 3.49Å; G443-F447 PolarHBondContact O-N 3.24Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 PolarHBondContact O-N 2.78Å; F447-L449 VanDerWaalsContact C-N 3.32Å; F447-L449 PolarHBondContact O-N 2.94Å; F447-E450 PolarHBondContact O-N 3.48Å; F447-N451 HydrophobicContact CD1-CB 4.36Å; F447-N451 HydrophobicContact CD2-CB 4.43Å; F447-N451 HydrophobicContact CE1-CB 4.08Å; F447-N451 HydrophobicContact CE2-CB 4.16Å; F447-N451 HydrophobicContact CZ-CB 3.97Å; F447-N451 WeakPolarHBondContact O-CA 3.36Å; F447-N451 WeakPolarHBondContact O-CB 3.49Å; F447-N451 PolarHBondContact O-N 2.92Å
448T97.1Very high96.1Very high30 Ų3051.1 Ų51.118%0.18425%0.251CS..Hα-helixtrans-61.4-41.4179.3-52.60000111.6K427 D444 L445 V446K427-T448 HydrophobicContact CB-CG2 3.62Å; K427-T448 HydrophobicContact CD-CG2 4.47Å; K427-T448 HydrophobicContact CG-CG2 3.85Å; D444-T448 PolarHBondContact O-N 3.25Å; D444-T448 PolarHBondContact O-OG1 3.16Å; L445-T448 PolarHBondContact O-N 2.78Å; V446-T448 VanDerWaalsContact C-N 3.33Å; V446-T448 PolarHBondContact O-N 3.24Å
449L97.4Very high96.3Very high1 Ų147 Ų471%0.00523%0.232CC..Hα-helixtrans-72-34.4-179.4-64.7171.7000112.6I424 L445 V446 F447 R452 I511 T512 L515 G516I424-L449 HydrophobicContact CD1-CD2 3.93Å; I424-L449 HydrophobicContact CG1-CD2 4.08Å; I424-L449 HydrophobicContact CG2-CD2 3.69Å; L445-L449 HydrophobicContact CD1-CD1 3.99Å; L445-L449 HydrophobicContact CD1-CG 4.33Å; L445-L449 HydrophobicContact CG-CD1 4.22Å; L445-L449 WeakPolarHBondContact O-CG 3.49Å; L445-L449 PolarHBondContact O-N 3.39Å; L445-L449 VanDerWaalsContact O-N 3.13Å; V446-L449 PolarHBondContact O-N 3.02Å; F447-L449 VanDerWaalsContact C-N 3.32Å; F447-L449 PolarHBondContact O-N 2.94Å; L449-R452 PolarHBondContact O-NE 2.94Å; L449-I511 HydrophobicContact CD1-CD1 4Å; L449-I511 HydrophobicContact CD1-CG1 3.82Å; L449-I511 HydrophobicContact CD1-CG2 4.23Å; L449-T512 HydrophobicContact CD2-CG2 4.36Å; L449-L515 HydrophobicContact CB-CB 4.25Å; L449-L515 HydrophobicContact CB-CD2 4.03Å; L449-L515 HydrophobicContact CB-CG 3.99Å; L449-L515 HydrophobicContact CD1-CB 4.32Å; L449-L515 HydrophobicContact CD1-CD2 3.99Å; L449-G516 WeakPolarHBondContact O-CA 3.3Å
450E96.3Very high96.3Very high66 Ų6643 Ų4331%0.30821%0.211SC..Hα-helixtrans-91.5-23.1-177.6-68.6-175.1155.800114.3V446 F447 R452 L515 T589V446-E450 HydrophobicContact CG1-CG 4.17Å; V446-E450 WeakPolarHBondContact CG1-OE2 3.43Å; V446-E450 WeakPolarHBondContact O-CB 3.41Å; V446-E450 WeakPolarHBondContact O-CG 3.39Å; V446-E450 PolarHBondContact O-N 2.75Å; F447-E450 PolarHBondContact O-N 3.48Å; E450-R452 VanDerWaalsContact C-N 3.28Å; E450-R452 PolarHBondContact O-N 2.73Å; E450-L515 HydrophobicContact CG-CD1 3.87Å; E450-L515 HydrophobicContact CG-CD2 4.23Å; E450-L515 HydrophobicContact CG-CG 3.93Å; E450-T589 WeakPolarHBondContact OE1-CB 3.13Å; E450-T589 PolarHBondContact OE1-OG1 3.29Å
451N95.3Very high96.3Very high108 Ų10843.2 Ų43.258%0.57821%0.212SC*.  trans-70.679.2-173.6-178.333.5000112.1F447F447-N451 HydrophobicContact CD1-CB 4.36Å; F447-N451 HydrophobicContact CD2-CB 4.43Å; F447-N451 HydrophobicContact CE1-CB 4.08Å; F447-N451 HydrophobicContact CE2-CB 4.16Å; F447-N451 HydrophobicContact CZ-CB 3.97Å; F447-N451 WeakPolarHBondContact O-CA 3.36Å; F447-N451 WeakPolarHBondContact O-CB 3.49Å; F447-N451 PolarHBondContact O-N 2.92Å
452R94.1Very high96.3Very high51 Ų5140.6 Ų40.619%0.19220%0.198CC..SBendtrans-142.6156.1-174.4-59.2-179.9-77.6130.8-6.4109.5L449 E450 Y454 N458 L515 G516 E518L449-R452 PolarHBondContact O-NE 2.94Å; E450-R452 VanDerWaalsContact C-N 3.28Å; E450-R452 PolarHBondContact O-N 2.73Å; R452-Y454 PolarHBondContact O-N 3.44Å; R452-N458 WeakPolarHBondContact CD-ND2 3.39Å; R452-N458 WeakPolarHBondContact CG-ND2 3.41Å; R452-L515 PolarHBondContact NH2-O 3.07Å; R452-G516 WeakPolarHBondContact CD-O 3.38Å; R452-G516 PolarHBondContact NE-O 2.81Å; R452-G516 PolarHBondContact NH1-O 2.79Å; R452-G516 VanDerWaalsContact NH2-C 3.34Å; R452-E518 IonicContact CZ-OE1 2.72Å; R452-E518 VanDerWaalsContact NH1-CD 3.34Å; R452-E518 IonicContact NH1-OE1 3.52Å; R452-E518 PolarHBondContact NH1-OE1 3.34Å; R452-E518 IonicContact NH1-OE2 3.54Å; R452-E518 PolarHBondContact NH1-OE2 2.62Å; R452-E518 VanDerWaalsContact NH1-OE2 3.07Å; R452-E518 IonicContact NH2-OE1 3.71Å
453R93.4Very high96.2Very high59 Ų5941 Ų4122%0.22320%0.2CC..  trans-76.2126.5-176.4-53.3-171.874.1757110.1D21 Y362 G455 E456D21-R453 IonicContact OD2-CZ 2.62Å; D21-R453 IonicContact OD2-NH2 3.73Å; D21-R453 PolarHBondContact OD2-NH2 2.86Å; Y362-R453 PolarHBondContact OH-NH2 3.02Å; R453-G455 PolarHBondContact O-N 3.21Å; R453-E456 HydrophobicContact CB-CB 4.21Å; R453-E456 HydrophobicContact CB-CG 4.45Å; R453-E456 WeakPolarHBondContact CD-OE1 3.48Å; R453-E456 IonicContact NE-OE1 3.18Å; R453-E456 PolarHBondContact NE-OE1 3.33Å; R453-E456 PolarHBondContact O-N 3.3Å
454Y91.5Very high95.6Very high172 Ų17240.6 Ų40.668%0.67520%0.195SC*.THydrogen-bonded Turntrans-65.4131176.4-177.4-99.2000110.8L20 R452 P586L20-Y454 HydrophobicContact CD2-CD1 3.95Å; L20-Y454 HydrophobicContact CD2-CE1 4.04Å; R452-Y454 PolarHBondContact O-N 3.44Å; Y454-P586 HydrophobicContact CD2-CG 4.46Å; Y454-P586 HydrophobicContact CE2-CG 4.27Å
455G91.1Very high95.2Very high36 Ų3636.9 Ų36.937%0.37118%0.175SC..THydrogen-bonded Turntrans86.1-1.6-178.600000115.3R407 R453R407-G455 PolarHBondContact NH1-O 2.98Å; R453-G455 PolarHBondContact O-N 3.21Å
456E95.8Very high94.5Very high14 Ų1440.4 Ų40.47%0.06519%0.194CC..SBendtrans-114.1126.5169.5-66.9-170-121.900108.7G404 L405 C406 R407 R453G404-E456 PolarHBondContact N-OE1 3.03Å; L405-E456 PolarHBondContact N-OE2 2.89Å; C406-E456 HydrophobicContact CB-CB 4.02Å; C406-E456 HydrophobicContact CB-CG 4.18Å; C406-E456 PolarHBondContact N-OE2 3.23Å; R407-E456 HydrophobicContact CG-CG 3.88Å; R453-E456 HydrophobicContact CB-CB 4.21Å; R453-E456 HydrophobicContact CB-CG 4.45Å; R453-E456 WeakPolarHBondContact CD-OE1 3.48Å; R453-E456 IonicContact NE-OE1 3.18Å; R453-E456 PolarHBondContact NE-OE1 3.33Å; R453-E456 PolarHBondContact O-N 3.3Å
457K96.8Very high93.5Very high86 Ų8641.1 Ų41.137%0.37420%0.197SC..EExtended strand (participates in β ladder)trans-85.6141.5-172.5-59.4-180-176.9172.20111.4Y418 R419 E518Y418-K457 VanDerWaalsContact CA-O 3.27Å; Y418-K457 WeakPolarHBondContact CA-O 3.34Å; Y418-K457 HydrophobicContact CD1-CB 3.35Å; Y418-K457 HydrophobicContact CD1-CD 4.14Å; Y418-K457 HydrophobicContact CD1-CG 4.42Å; Y418-K457 HydrophobicContact CE1-CB 3.52Å; Y418-K457 HydrophobicContact CE1-CD 3.52Å; Y418-K457 HydrophobicContact CE1-CG 4.16Å; Y418-K457 HydrophobicContact CE2-CD 4.26Å; Y418-K457 HydrophobicContact CG-CB 4.1Å; R419-K457 PolarHBondContact N-O 2.62Å; K457-E518 WeakPolarHBondContact CA-OE2 3.47Å; K457-E518 HydrophobicContact CB-CB 4.06Å; K457-E518 HydrophobicContact CB-CG 4.42Å; K457-E518 HydrophobicContact CD-CB 4.49Å; K457-E518 HydrophobicContact CG-CB 4.19Å; K457-E518 HydrophobicContact CG-CG 4.3Å
458N96.5Very high92.2Very high4 Ų435.5 Ų35.52%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-115.7145174.7-73.119.4000112.1R419 A421 R452 E518 G519R419-N458 WeakPolarHBondContact CG-OD1 3.33Å; R419-N458 CarbonylContact O-C 3.58Å; R419-N458 VanDerWaalsContact O-CA 3.27Å; R419-N458 WeakPolarHBondContact O-CA 3.22Å; A421-N458 HydrophobicContact CB-CB 4.29Å; R452-N458 WeakPolarHBondContact CD-ND2 3.39Å; R452-N458 WeakPolarHBondContact CG-ND2 3.41Å; N458-E518 PolarHBondContact N-OE2 2.87Å; N458-E518 PolarHBondContact O-N 2.83Å; N458-G519 PolarHBondContact O-N 3.17Å; N458-G519 VanDerWaalsContact O-N 3.08Å
459I98.1Very high91.1Very high0 Ų036.3 Ų36.30%018%0.176CC..EExtended strand (participates in β ladder)trans-93.3116.9162.4-55.7-56.3000108.3L182 I184 I395 Y418 R419 L420 A421 L521L182-I459 HydrophobicContact CB-CD1 4.28Å; L182-I459 HydrophobicContact CD1-CD1 4.16Å; I184-I459 HydrophobicContact CD1-CD1 4.09Å; I184-I459 HydrophobicContact CD1-CG1 4.22Å; I184-I459 HydrophobicContact CD1-CG2 4.13Å; I395-I459 HydrophobicContact CD1-CG1 4.26Å; I395-I459 HydrophobicContact CG2-CG1 4.35Å; Y418-I459 HydrophobicContact CD1-CD1 3.34Å; Y418-I459 HydrophobicContact CD1-CG1 3.98Å; Y418-I459 HydrophobicContact CD2-CD1 4.4Å; Y418-I459 HydrophobicContact CE1-CD1 3.8Å; Y418-I459 HydrophobicContact CG-CD1 3.71Å; Y418-I459 HydrophobicContact CG-CG1 4.05Å; R419-I459 PolarHBondContact O-N 3.23Å; L420-I459 HydrophobicContact CD2-CB 3.82Å; L420-I459 HydrophobicContact CD2-CG1 4.37Å; L420-I459 HydrophobicContact CD2-CG2 4.11Å; A421-I459 WeakPolarHBondContact CB-O 3.22Å; A421-I459 PolarHBondContact N-O 2.85Å; I459-L521 HydrophobicContact CG2-CB 3.51Å; I459-L521 HydrophobicContact CG2-CD1 4.38Å
460A98Very high89.6Confident0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-93.5145.8177.200000111.5I424 T512 G516 G519 W520 L521I424-A460 HydrophobicContact CD1-CB 4.06Å; A460-T512 HydrophobicContact CB-CG2 4.05Å; A460-G516 VanDerWaalsContact CB-C 3.4Å; A460-G516 WeakPolarHBondContact CB-O 3.48Å; A460-G519 PolarHBondContact N-O 3.47Å; A460-W520 CarbonylContact O-C 3.46Å; A460-W520 WeakPolarHBondContact O-CA 3.43Å; A460-L521 PolarHBondContact O-N 3.38Å
461Y98.2Very high88.6Confident7 Ų740 Ų403%0.02722%0.22CC..  trans-153.7147.1175.253.5-79.8000108.4L420 M422 P425 L521L420-Y461 HydrophobicContact CB-CE1 3.95Å; L420-Y461 HydrophobicContact CD1-CE1 4.39Å; L420-Y461 HydrophobicContact CD2-CE1 4.28Å; L420-Y461 HydrophobicContact CG-CE1 4.43Å; M422-Y461 WeakPolarHBondContact CA-OH 3.41Å; M422-Y461 WeakPolarHBondContact CG-OH 3.3Å; P425-Y461 HydrophobicContact CB-CE2 4.49Å; P425-Y461 HydrophobicContact CG-CD2 3.51Å; P425-Y461 HydrophobicContact CG-CE2 3.22Å; Y461-L521 WeakPolarHBondContact CB-O 3.49Å; Y461-L521 HydrophobicContact CG-CD2 4.18Å
462A97.6Very high88Confident4 Ų437.3 Ų37.33%0.03321%0.205CC..SBendtrans-85.2-28.7-177.900000112.3P425 L475 I508 T512 W520P425-A462 WeakPolarHBondContact CA-O 3.42Å; A462-L475 HydrophobicContact CB-CD1 3.7Å; A462-I508 HydrophobicContact CB-CG2 3.91Å; A462-T512 HydrophobicContact CB-CG2 4.46Å; A462-W520 HydrophobicContact CB-CH2 4.23Å
463E94.6Very high87.7Confident8 Ų837.8 Ų37.84%0.03721%0.209CC..SBendtrans-155.6146176.651-179.6157.700108.4Q467 T474 L475 N526E463-Q467 HydrophobicContact CB-CB 4.33Å; E463-T474 VanDerWaalsContact OE2-CA 3.29Å; E463-T474 WeakPolarHBondContact OE2-CA 3.02Å; E463-T474 WeakPolarHBondContact OE2-CB 3.39Å; E463-L475 HydrophobicContact CB-CD1 4.09Å; E463-L475 HydrophobicContact CB-CG 4.03Å; E463-L475 HydrophobicContact CG-CD1 3.76Å; E463-L475 HydrophobicContact CG-CG 3.96Å; E463-L475 PolarHBondContact OE2-N 3.2Å; E463-N526 HydrophobicContact CG-CB 4.25Å; E463-N526 WeakPolarHBondContact CG-ND2 3.38Å; E463-N526 WeakPolarHBondContact OE1-CB 3.49Å
464S86.6Confident87.7Confident6 Ų635.1 Ų35.14%0.04220%0.199CC..  trans-109.1-177178.163.30000111.9D466 Q467 A468S464-D466 PolarHBondContact O-N 3.33Å; S464-D466 PolarHBondContact OG-N 2.87Å; S464-Q467 PolarHBondContact O-N 3.42Å; S464-Q467 PolarHBondContact OG-OE1 2.92Å; S464-A468 PolarHBondContact O-N 3.38Å
465H87.5Confident87.8Confident3 Ų327.1 Ų27.11%0.01417%0.168CC..THydrogen-bonded Turntrans-57.2-28.1168.268.3-98.1000113.6E186 M223 F234 Y236 A468 L469 F523E186-H465 IonicContact OE1-CE1 2.81Å; E186-H465 IonicContact OE1-ND1 3.75Å; E186-H465 PolarHBondContact OE1-ND1 3.04Å; E186-H465 IonicContact OE2-ND1 2.65Å; E186-H465 PolarHBondContact OE2-ND1 2.8Å; M223-H465 HydrophobicContact CE-CB 4.29Å; M223-H465 WeakPolarHBondContact CE-ND1 3.34Å; M223-H465 HydrophobicContact SD-CB 4.2Å; F234-H465 AromaticContact CD1-CD2 3.95Å; F234-H465 HydrophobicContact CE1-CB 3.7Å; F234-H465 AromaticContact CE1-CD2 3.76Å; F234-H465 HydrophobicContact CZ-CB 4.06Å; Y236-H465 AromaticContact CE2-NE2 3.95Å; Y236-H465 AromaticContact CZ-NE2 3.77Å; Y236-H465 PolarHBondContact OH-CE1 3.46Å; Y236-H465 PolarHBondContact OH-NE2 3.5Å; H465-A468 WeakPolarHBondContact O-CB 3.42Å; H465-A468 PolarHBondContact O-N 3.22Å; H465-L469 WeakPolarHBondContact O-CG 3.33Å; H465-L469 PolarHBondContact O-N 3.44Å; H465-F523 HydrophobicContact CB-CD1 4.13Å; H465-F523 HydrophobicContact CB-CD2 3.69Å; H465-F523 HydrophobicContact CB-CE1 4.01Å; H465-F523 HydrophobicContact CB-CE2 3.61Å; H465-F523 HydrophobicContact CB-CG 3.98Å; H465-F523 HydrophobicContact CB-CZ 3.81Å
466D81.9Confident88Confident75 Ų7525.4 Ų25.440%0.40115%0.15SC..THydrogen-bonded Turntrans-66.8-46.5178.2-72.2-39.1000112S464 A468 L469S464-D466 PolarHBondContact O-N 3.33Å; S464-D466 PolarHBondContact OG-N 2.87Å; D466-A468 PolarHBondContact O-N 3.2Å; D466-L469 WeakPolarHBondContact O-CB 3.26Å; D466-L469 PolarHBondContact O-N 3.42Å
467Q78.5Confident88Confident14 Ų1425.4 Ų25.47%0.06515%0.15CC..THydrogen-bonded Turntrans-66.5-19.7174.8-74.493.119.800113I429 E463 S464 L469 K473I429-Q467 HydrophobicContact CD1-CG 3.49Å; I429-Q467 VanDerWaalsContact CD1-CG 3.49Å; I429-Q467 HydrophobicContact CG1-CG 4.25Å; E463-Q467 HydrophobicContact CB-CB 4.33Å; S464-Q467 PolarHBondContact O-N 3.42Å; S464-Q467 PolarHBondContact OG-OE1 2.92Å; Q467-L469 VanDerWaalsContact C-N 3.33Å; Q467-K473 CarbonylContact O-C 3.26Å; Q467-K473 VanDerWaalsContact O-C 3.29Å
468A69.9Low87.9Confident1 Ų124 Ų241%0.00814%0.142CC..THydrogen-bonded Turntrans-78.1-17.4174.700000112.4S464 H465 D466 T474 F523 W533 L534S464-A468 PolarHBondContact O-N 3.38Å; H465-A468 WeakPolarHBondContact O-CB 3.42Å; H465-A468 PolarHBondContact O-N 3.22Å; D466-A468 PolarHBondContact O-N 3.2Å; A468-T474 HydrophobicContact CB-CG2 4.48Å; A468-F523 HydrophobicContact CB-CD1 3.87Å; A468-F523 HydrophobicContact CB-CE1 3.71Å; A468-W533 CarbonylContact O-C 3.56Å; A468-L534 WeakPolarHBondContact O-CA 3.48Å; A468-L534 VanDerWaalsContact O-CB 3.25Å; A468-L534 WeakPolarHBondContact O-CB 3.35Å; A468-L534 PolarHBondContact O-N 3.32Å
469L74.6Confident87.9Confident48 Ų4824 Ų2425%0.25114%0.143SC..BIsolated β-bridgetrans-75.4157.7-176.7-70.2172.5000113.3F234 H465 D466 Q467 G471 D472 L534 F536F234-L469 HydrophobicContact CD1-CD1 4.27Å; F234-L469 HydrophobicContact CD1-CD2 4.09Å; F234-L469 HydrophobicContact CE1-CD2 3.98Å; F234-L469 HydrophobicContact CE1-CG 4.34Å; H465-L469 WeakPolarHBondContact O-CG 3.33Å; H465-L469 PolarHBondContact O-N 3.44Å; D466-L469 WeakPolarHBondContact O-CB 3.26Å; D466-L469 PolarHBondContact O-N 3.42Å; Q467-L469 VanDerWaalsContact C-N 3.33Å; L469-G471 PolarHBondContact O-N 3.03Å; L469-D472 PolarHBondContact O-N 3.34Å; L469-L534 CarbonylContact C-O 3.59Å; L469-L534 WeakPolarHBondContact CA-O 3.41Å; L469-L534 HydrophobicContact CD2-CD2 4.16Å; L469-L534 HydrophobicContact CD2-CG 4.32Å; L469-F536 HydrophobicContact CD2-CD2 4.2Å; L469-F536 HydrophobicContact CD2-CE2 4.08Å
470V65.5Low87.8Confident60 Ų6024.2 Ų24.236%0.36414%0.144SC..THydrogen-bonded Turntrans-55.8128.6171.867.40000111L534 D535V470-L534 PolarHBondContact N-O 3.17Å; V470-D535 HydrophobicContact CB-CB 4.01Å; V470-D535 HydrophobicContact CG1-CB 4.22Å; V470-D535 WeakPolarHBondContact CG1-OD1 3.49Å
471G74.5Confident87.7Confident85 Ų8527.1 Ų27.188%0.87616%0.159SC*.THydrogen-bonded Turntrans110.4-18.6-176.100000113.3L469L469-G471 PolarHBondContact O-N 3.03Å
472D83.9Confident87.5Confident50 Ų5033.5 Ų33.527%0.26719%0.187SC..SBendtrans-120.4-174.7166.5-146.7-27.6000110.7L469 W478L469-D472 PolarHBondContact O-N 3.34Å; D472-W478 PolarHBondContact OD1-NE1 3.12Å
473K86.9Confident87.5Confident61 Ų6135.4 Ų35.427%0.26520%0.195SC..  trans-131.1143.2175.7-58.2-177170.3-172.40109.7Q467 F477 W478 D481Q467-K473 CarbonylContact O-C 3.26Å; Q467-K473 VanDerWaalsContact O-C 3.29Å; K473-F477 HydrophobicContact CB-CB 4.25Å; K473-F477 HydrophobicContact CB-CD1 4.01Å; K473-F477 HydrophobicContact CD-CD1 3.57Å; K473-F477 HydrophobicContact CD-CE1 4.08Å; K473-F477 HydrophobicContact CG-CD1 3.71Å; K473-F477 HydrophobicContact CG-CE1 4.37Å; K473-W478 HydrophobicContact CB-CD2 4.16Å; K473-W478 HydrophobicContact CB-CG 4.02Å; K473-W478 HydrophobicContact CB-CZ2 4.49Å; K473-W478 HydrophobicContact CD-CD2 4.11Å; K473-W478 HydrophobicContact CD-CE3 4.26Å; K473-W478 HydrophobicContact CD-CZ2 4.43Å; K473-W478 HydrophobicContact CD-CZ3 4.48Å; K473-W478 HydrophobicContact CG-CZ2 4.48Å; K473-W478 PolarHBondContact O-NE1 2.98Å; K473-W478 VanDerWaalsContact O-NE1 3.16Å; K473-D481 IonicContact NZ-OD2 2.65Å; K473-D481 PolarHBondContact NZ-OD2 3.49Å
474T93Very high87.5Confident4 Ų435.1 Ų35.13%0.02519%0.194CC..  trans-61.1160166.260.90000110.7E463 A468 S476 F477 W478 H530E463-T474 VanDerWaalsContact OE2-CA 3.29Å; E463-T474 WeakPolarHBondContact OE2-CA 3.02Å; E463-T474 WeakPolarHBondContact OE2-CB 3.39Å; A468-T474 HydrophobicContact CB-CG2 4.48Å; T474-S476 VanDerWaalsContact C-N 3.26Å; T474-S476 PolarHBondContact O-N 2.91Å; T474-S476 PolarHBondContact OG1-OG 3.21Å; T474-F477 PolarHBondContact O-N 2.47Å; T474-F477 WeakPolarHBondContact OG1-CB 3.44Å; T474-F477 PolarHBondContact OG1-N 3.41Å; T474-W478 PolarHBondContact O-N 3.06Å; T474-H530 PolarHBondContact OG1-O 3.33Å
475L95Very high87.9Confident3 Ų340.1 Ų40.12%0.01621%0.213CC..Hα-helixtrans-56.9-41.6176.4-70.6175.2000111.5W428 L432 A462 E463 F477 W478 L479 I508W428-L475 HydrophobicContact CB-CD2 3.95Å; L432-L475 HydrophobicContact CD1-CD2 3.5Å; A462-L475 HydrophobicContact CB-CD1 3.7Å; E463-L475 HydrophobicContact CB-CD1 4.09Å; E463-L475 HydrophobicContact CB-CG 4.03Å; E463-L475 HydrophobicContact CG-CD1 3.76Å; E463-L475 HydrophobicContact CG-CG 3.96Å; E463-L475 PolarHBondContact OE2-N 3.2Å; L475-F477 VanDerWaalsContact C-N 3.3Å; L475-F477 PolarHBondContact O-N 2.83Å; L475-W478 PolarHBondContact O-N 3.49Å; L475-L479 WeakPolarHBondContact O-CB 3.43Å; L475-L479 WeakPolarHBondContact O-CD1 3.28Å; L475-L479 WeakPolarHBondContact O-CG 3.44Å; L475-L479 PolarHBondContact O-N 3.1Å; L475-I508 HydrophobicContact CD1-CG2 3.77Å
476S95.6Very high88.3Confident0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-58.7-43.1175.758.10000111.6T474 L479 M480 G529 H530T474-S476 VanDerWaalsContact C-N 3.26Å; T474-S476 PolarHBondContact O-N 2.91Å; T474-S476 PolarHBondContact OG1-OG 3.21Å; S476-L479 PolarHBondContact O-N 2.7Å; S476-M480 WeakPolarHBondContact O-CB 3.39Å; S476-M480 WeakPolarHBondContact O-CE 3.36Å; S476-M480 PolarHBondContact O-N 2.84Å; S476-G529 PolarHBondContact OG-O 3.23Å; S476-H530 PolarHBondContact OG-O 3.49Å
477F94.8Very high89Confident15 Ų1544.7 Ų44.77%0.06624%0.235CC..Hα-helixtrans-78.3-28.3-178-159.1-113.6000112.9K473 T474 L475 L479 D481 M484 Y485 W533K473-F477 HydrophobicContact CB-CB 4.25Å; K473-F477 HydrophobicContact CB-CD1 4.01Å; K473-F477 HydrophobicContact CD-CD1 3.57Å; K473-F477 HydrophobicContact CD-CE1 4.08Å; K473-F477 HydrophobicContact CG-CD1 3.71Å; K473-F477 HydrophobicContact CG-CE1 4.37Å; T474-F477 PolarHBondContact O-N 2.47Å; T474-F477 WeakPolarHBondContact OG1-CB 3.44Å; T474-F477 PolarHBondContact OG1-N 3.41Å; L475-F477 VanDerWaalsContact C-N 3.3Å; L475-F477 PolarHBondContact O-N 2.83Å; F477-L479 VanDerWaalsContact C-N 3.31Å; F477-D481 VanDerWaalsContact CE2-C 3.47Å; F477-D481 WeakPolarHBondContact CE2-O 3.05Å; F477-D481 WeakPolarHBondContact O-CA 3.37Å; F477-D481 PolarHBondContact O-N 3.48Å; F477-M484 HydrophobicContact CB-SD 4.44Å; F477-M484 HydrophobicContact CD2-SD 3.93Å; F477-Y485 HydrophobicContact CE2-CE2 4.04Å; F477-Y485 AromaticContact CE2-CZ 3.97Å; F477-Y485 WeakPolarHBondContact CE2-OH 3.45Å; F477-W533 HydrophobicContact CE1-CZ3 4.46Å
478W94.6Very high89.9Confident55 Ų5544.2 Ų44.221%0.20823%0.232CC..Hα-helixtrans-62.9-37.8164.9-85.5115.9000112.3I429 L432 K433 D472 K473 T474 L475I429-W478 HydrophobicContact CG2-CZ2 4.36Å; L432-W478 HydrophobicContact CB-CB 4.12Å; L432-W478 HydrophobicContact CB-CG 4.3Å; L432-W478 HydrophobicContact CD1-CB 3.89Å; L432-W478 HydrophobicContact CD1-CG 4.42Å; K433-W478 HydrophobicContact CB-CH2 3.84Å; K433-W478 HydrophobicContact CB-CZ2 4.4Å; K433-W478 HydrophobicContact CB-CZ3 3.89Å; K433-W478 HydrophobicContact CD-CH2 3.81Å; K433-W478 HydrophobicContact CD-CZ2 4.27Å; K433-W478 HydrophobicContact CG-CH2 3.61Å; K433-W478 HydrophobicContact CG-CZ2 4.42Å; K433-W478 HydrophobicContact CG-CZ3 3.93Å; D472-W478 PolarHBondContact OD1-NE1 3.12Å; K473-W478 HydrophobicContact CB-CD2 4.16Å; K473-W478 HydrophobicContact CB-CG 4.02Å; K473-W478 HydrophobicContact CB-CZ2 4.49Å; K473-W478 HydrophobicContact CD-CD2 4.11Å; K473-W478 HydrophobicContact CD-CE3 4.26Å; K473-W478 HydrophobicContact CD-CZ2 4.43Å; K473-W478 HydrophobicContact CD-CZ3 4.48Å; K473-W478 HydrophobicContact CG-CZ2 4.48Å; K473-W478 PolarHBondContact O-NE1 2.98Å; K473-W478 VanDerWaalsContact O-NE1 3.16Å; T474-W478 PolarHBondContact O-N 3.06Å; L475-W478 PolarHBondContact O-N 3.49Å
479L96.5Very high91.2Very high6 Ų645.8 Ų45.83%0.03124%0.243CC..Hα-helixtrans-81-37.7-174.8-76.8168.4000114L432 L475 S476 F477 R500 L504 H505 I508L432-L479 HydrophobicContact CD2-CD2 3.49Å; L432-L479 VanDerWaalsContact CD2-CD2 3.49Å; L432-L479 HydrophobicContact CD2-CG 4.07Å; L475-L479 WeakPolarHBondContact O-CB 3.43Å; L475-L479 WeakPolarHBondContact O-CD1 3.28Å; L475-L479 WeakPolarHBondContact O-CG 3.44Å; L475-L479 PolarHBondContact O-N 3.1Å; S476-L479 PolarHBondContact O-N 2.7Å; F477-L479 VanDerWaalsContact C-N 3.31Å; L479-R500 PolarHBondContact O-NH1 3.16Å; L479-L504 HydrophobicContact CD1-CB 4.11Å; L479-L504 HydrophobicContact CD2-CB 3.78Å; L479-L504 HydrophobicContact CD2-CD1 3.72Å; L479-L504 HydrophobicContact CD2-CG 4.4Å; L479-H505 HydrophobicContact CD1-CB 4Å; L479-I508 HydrophobicContact CD1-CD1 4.41Å
480M97Very high92.2Very high4 Ų445.8 Ų45.82%0.0225%0.245CC..Hα-helixtrans-121.9-19.1-168.5-64.8177-76.200113.6S476 K482 E483 M484 M488 I498 I502S476-M480 WeakPolarHBondContact O-CB 3.39Å; S476-M480 WeakPolarHBondContact O-CE 3.36Å; S476-M480 PolarHBondContact O-N 2.84Å; M480-K482 PolarHBondContact O-N 3.05Å; M480-E483 WeakPolarHBondContact O-CB 3.41Å; M480-E483 PolarHBondContact O-N 3.02Å; M480-E483 VanDerWaalsContact O-N 3.13Å; M480-M484 HydrophobicContact CB-CG 3.32Å; M480-M484 HydrophobicContact CB-SD 4.04Å; M480-M484 HydrophobicContact CE-CE 3.81Å; M480-M484 HydrophobicContact CE-CG 4.15Å; M480-M484 HydrophobicContact CE-SD 4Å; M480-M484 HydrophobicContact CG-CG 4.34Å; M480-M484 HydrophobicContact SD-CG 4.26Å; M480-M488 HydrophobicContact SD-SD 4.27Å; M480-I498 HydrophobicContact CB-CD1 3.97Å; M480-I498 HydrophobicContact CG-CD1 3.95Å; M480-I498 HydrophobicContact SD-CD1 3.82Å; M480-I502 HydrophobicContact SD-CG1 4.43Å
481D94.4Very high93.7Very high61 Ų6149.3 Ų49.333%0.32626%0.261SS..THydrogen-bonded Turntrans44.4-137.4179.2-162.1-97.8000112.1K473 F477 E483 M484K473-D481 IonicContact NZ-OD2 2.65Å; K473-D481 PolarHBondContact NZ-OD2 3.49Å; F477-D481 VanDerWaalsContact CE2-C 3.47Å; F477-D481 WeakPolarHBondContact CE2-O 3.05Å; F477-D481 WeakPolarHBondContact O-CA 3.37Å; F477-D481 PolarHBondContact O-N 3.48Å; D481-E483 PolarHBondContact O-N 3.33Å; D481-E483 VanDerWaalsContact O-N 3.16Å; D481-M484 WeakPolarHBondContact O-CB 3.39Å; D481-M484 VanDerWaalsContact O-CG 3.32Å; D481-M484 WeakPolarHBondContact O-CG 3.21Å; D481-M484 PolarHBondContact O-N 3.33Å
482K95.1Very high94.7Very high141 Ų14146.3 Ų46.361%0.61323%0.227SC*.THydrogen-bonded Turntrans-62.7-18.8-178.568.2-179.9-178.51770115M480 M484 Y485M480-K482 PolarHBondContact O-N 3.05Å; K482-M484 PolarHBondContact O-N 2.7Å; K482-Y485 HydrophobicContact CB-CD2 4.14Å; K482-Y485 HydrophobicContact CB-CE2 4.31Å; K482-Y485 WeakPolarHBondContact O-CD2 3.4Å; K482-Y485 PolarHBondContact O-N 3.41Å; K482-Y485 VanDerWaalsContact O-N 3.13Å
483E96.4Very high95.3Very high43 Ų4348.5 Ų48.520%0.20124%0.244CC..Hα-helixtrans-65.4-19.6177.9-72.1-160-157.400112.1M480 D481 Y485 D486 F487 T495 I497 I498M480-E483 WeakPolarHBondContact O-CB 3.41Å; M480-E483 PolarHBondContact O-N 3.02Å; M480-E483 VanDerWaalsContact O-N 3.13Å; D481-E483 PolarHBondContact O-N 3.33Å; D481-E483 VanDerWaalsContact O-N 3.16Å; E483-Y485 PolarHBondContact O-N 3.43Å; E483-D486 PolarHBondContact O-N 3.31Å; E483-F487 HydrophobicContact CB-CD2 4.02Å; E483-F487 HydrophobicContact CG-CD2 4.09Å; E483-F487 HydrophobicContact CG-CE2 4.44Å; E483-F487 PolarHBondContact O-N 2.88Å; E483-T495 WeakPolarHBondContact OE2-CB 3.47Å; E483-T495 PolarHBondContact OE2-OG1 3.11Å; E483-I497 HydrophobicContact CB-CG2 4.38Å; E483-I497 HydrophobicContact CG-CG2 4.43Å; E483-I497 WeakPolarHBondContact OE1-CD1 3.42Å; E483-I498 HydrophobicContact CB-CD1 3.94Å; E483-I498 HydrophobicContact CB-CG1 4.34Å
484M96Very high95.7Very high2 Ų249.1 Ų49.11%0.0125%0.25CC..Hα-helixtrans-55.6-33.6172.8-66.2-174.774.600112.6F477 M480 D481 K482 M488 G529 P531 Y562F477-M484 HydrophobicContact CB-SD 4.44Å; F477-M484 HydrophobicContact CD2-SD 3.93Å; M480-M484 HydrophobicContact CB-CG 3.32Å; M480-M484 HydrophobicContact CB-SD 4.04Å; M480-M484 HydrophobicContact CE-CE 3.81Å; M480-M484 HydrophobicContact CE-CG 4.15Å; M480-M484 HydrophobicContact CE-SD 4Å; M480-M484 HydrophobicContact CG-CG 4.34Å; M480-M484 HydrophobicContact SD-CG 4.26Å; D481-M484 WeakPolarHBondContact O-CB 3.39Å; D481-M484 VanDerWaalsContact O-CG 3.32Å; D481-M484 WeakPolarHBondContact O-CG 3.21Å; D481-M484 PolarHBondContact O-N 3.33Å; K482-M484 PolarHBondContact O-N 2.7Å; M484-M488 HydrophobicContact CB-CG 4.26Å; M484-M488 VanDerWaalsContact O-CB 3.29Å; M484-M488 WeakPolarHBondContact O-CB 3.39Å; M484-M488 WeakPolarHBondContact O-CG 3.37Å; M484-G529 VanDerWaalsContact CE-O 3.25Å; M484-G529 WeakPolarHBondContact CE-O 3.37Å; M484-P531 HydrophobicContact CE-CB 3.79Å; M484-P531 HydrophobicContact SD-CB 4.29Å; M484-Y562 HydrophobicContact CE-CE1 3.89Å
485Y95.2Very high96Very high111 Ų11149.9 Ų49.944%0.43526%0.255SS..Hα-helixtrans-74.8-35-176.2-54.9-59.9000112.7F477 K482 E483 P531 E532F477-Y485 HydrophobicContact CE2-CE2 4.04Å; F477-Y485 AromaticContact CE2-CZ 3.97Å; F477-Y485 WeakPolarHBondContact CE2-OH 3.45Å; K482-Y485 HydrophobicContact CB-CD2 4.14Å; K482-Y485 HydrophobicContact CB-CE2 4.31Å; K482-Y485 WeakPolarHBondContact O-CD2 3.4Å; K482-Y485 PolarHBondContact O-N 3.41Å; K482-Y485 VanDerWaalsContact O-N 3.13Å; E483-Y485 PolarHBondContact O-N 3.43Å; Y485-P531 HydrophobicContact CE1-CB 4.44Å; Y485-E532 HydrophobicContact CE1-CG 3.94Å; Y485-E532 WeakPolarHBondContact OH-CG 2.95Å
486D94.6Very high96.1Very high114 Ų11454.9 Ų54.961%0.6129%0.287SS*.Hα-helixtrans-99.4-32.4-172.9-63.3-40.3000112.8E483E483-D486 PolarHBondContact O-N 3.31Å
487F97.3Very high96.1Very high61 Ų6158.4 Ų58.427%0.26831%0.305SS..Hα-helixtrans-119.218.1-166.6-59.9-76.3000114.2E483 S492 T495 I498 R561E483-F487 HydrophobicContact CB-CD2 4.02Å; E483-F487 HydrophobicContact CG-CD2 4.09Å; E483-F487 HydrophobicContact CG-CE2 4.44Å; E483-F487 PolarHBondContact O-N 2.88Å; F487-S492 WeakPolarHBondContact CA-OG 3.44Å; F487-T495 HydrophobicContact CB-CG2 4.15Å; F487-T495 HydrophobicContact CD1-CG2 3.55Å; F487-T495 HydrophobicContact CD2-CG2 3.94Å; F487-T495 HydrophobicContact CE1-CG2 3.84Å; F487-T495 HydrophobicContact CE2-CG2 4.2Å; F487-T495 HydrophobicContact CG-CG2 3.61Å; F487-T495 HydrophobicContact CZ-CG2 4.16Å; F487-I498 HydrophobicContact CB-CD1 4.35Å; F487-I498 HydrophobicContact CB-CG1 3.65Å; F487-R561 PolarHBondContact O-NH1 2.74Å
488M97.6Very high96.3Very high4 Ų457.7 Ų57.72%0.0230%0.302CS..  trans-86-2.6169-75.6-64.8-76.200113.8M480 M484 I498 L560 R561 Y562M480-M488 HydrophobicContact SD-SD 4.27Å; M484-M488 HydrophobicContact CB-CG 4.26Å; M484-M488 VanDerWaalsContact O-CB 3.29Å; M484-M488 WeakPolarHBondContact O-CB 3.39Å; M484-M488 WeakPolarHBondContact O-CG 3.37Å; M488-I498 HydrophobicContact SD-CD1 4.37Å; M488-I498 HydrophobicContact SD-CG2 4.2Å; M488-L560 CarbonylContact O-C 3.5Å; M488-L560 WeakPolarHBondContact O-CA 3.39Å; M488-R561 HydrophobicContact CE-CB 3.72Å; M488-R561 WeakPolarHBondContact O-CB 3.27Å; M488-R561 WeakPolarHBondContact O-CG 3.34Å; M488-R561 PolarHBondContact O-N 2.65Å; M488-R561 HydrophobicContact SD-CB 3.95Å; M488-Y562 HydrophobicContact CB-CE2 3.8Å; M488-Y562 HydrophobicContact CE-CD1 3.52Å; M488-Y562 HydrophobicContact CE-CD2 3.86Å; M488-Y562 HydrophobicContact CE-CE1 3.58Å; M488-Y562 HydrophobicContact CE-CE2 3.9Å; M488-Y562 HydrophobicContact CE-CG 3.67Å; M488-Y562 HydrophobicContact CG-CE1 4.48Å; M488-Y562 HydrophobicContact CG-CE2 4.12Å
489S96.9Very high96.5Very high33 Ų3357.1 Ų57.123%0.23130%0.303CS..BIsolated β-bridgetrans-79.2133174179.10000112L491 S492 L559 R561S489-L491 PolarHBondContact O-N 3Å; S489-L491 PolarHBondContact OG-N 3.49Å; S489-L491 VanDerWaalsContact OG-N 3.15Å; S489-S492 PolarHBondContact O-N 3.49Å; S489-S492 PolarHBondContact O-OG 3.23Å; S489-L559 CarbonylContact C-O 3.51Å; S489-L559 VanDerWaalsContact CA-O 3.32Å; S489-L559 WeakPolarHBondContact CA-O 3.33Å; S489-L559 PolarHBondContact OG-O 3.23Å; S489-R561 PolarHBondContact O-NH1 2.82Å; S489-R561 PolarHBondContact O-NH2 3.17Å
490T96.4Very high96.5Very high48 Ų4859.1 Ų59.129%0.29431%0.31SS..THydrogen-bonded Turntrans-61.8-12.317261.20000113.4L559 R561 F564T490-L559 PolarHBondContact N-O 2.89Å; T490-L559 PolarHBondContact OG1-O 3.28Å; T490-R561 HydrophobicContact CG2-CG 4.04Å; T490-F564 HydrophobicContact CG2-CE2 4.34Å; T490-F564 HydrophobicContact CG2-CZ 4.34Å
491L96.4Very high96.6Very high134 Ų13459 Ų5970%0.70231%0.309SS*.THydrogen-bonded Turntrans-89.5-20.4175.4-55-179.5000113S489S489-L491 PolarHBondContact O-N 3Å; S489-L491 PolarHBondContact OG-N 3.49Å; S489-L491 VanDerWaalsContact OG-N 3.15Å
492S95.8Very high96.8Very high23 Ų2356.2 Ų56.216%0.16130%0.295CS..SBendtrans-79.9157173.977.90000110.3F487 S489 L494 R561F487-S492 WeakPolarHBondContact CA-OG 3.44Å; S489-S492 PolarHBondContact O-N 3.49Å; S489-S492 PolarHBondContact O-OG 3.23Å; S492-L494 PolarHBondContact O-N 3.07Å; S492-R561 PolarHBondContact O-NH2 3.47Å; S492-R561 PolarHBondContact OG-NH1 3Å
493P95.4Very high96.9Very high96 Ų9650 Ų5062%0.62327%0.269SS*.  trans-53.1141.1168.5-2434.3000111.1T495P493-T495 PolarHBondContact O-N 2.73Å
494L96.7Very high97Very high73 Ų7348 Ų4838%0.38226%0.26SS..  trans-78101.9168.5-179.265.5000107.7S492 I498 D499S492-L494 PolarHBondContact O-N 3.07Å; L494-I498 HydrophobicContact CD1-CB 4.19Å; L494-I498 HydrophobicContact CD1-CG2 3.75Å; L494-D499 HydrophobicContact CD1-CB 4.22Å; L494-D499 HydrophobicContact CD2-CB 4.11Å; L494-D499 HydrophobicContact CG-CB 4Å
495T97.8Very high97.2Very high21 Ų2147.9 Ų47.913%0.12926%0.26CS..  trans-72.2153.9177.972.20000110E483 F487 P493 I497 I498 D499E483-T495 WeakPolarHBondContact OE2-CB 3.47Å; E483-T495 PolarHBondContact OE2-OG1 3.11Å; F487-T495 HydrophobicContact CB-CG2 4.15Å; F487-T495 HydrophobicContact CD1-CG2 3.55Å; F487-T495 HydrophobicContact CD2-CG2 3.94Å; F487-T495 HydrophobicContact CE1-CG2 3.84Å; F487-T495 HydrophobicContact CE2-CG2 4.2Å; F487-T495 HydrophobicContact CG-CG2 3.61Å; F487-T495 HydrophobicContact CZ-CG2 4.16Å; P493-T495 PolarHBondContact O-N 2.73Å; T495-I497 PolarHBondContact O-N 3.24Å; T495-I497 VanDerWaalsContact O-N 3.13Å; T495-I498 PolarHBondContact O-N 3.14Å; T495-I498 WeakPolarHBondContact OG1-CG1 3.48Å; T495-I498 PolarHBondContact OG1-N 3Å; T495-D499 WeakPolarHBondContact O-CB 3.25Å; T495-D499 PolarHBondContact O-N 3.01Å
496P96.8Very high97.3Very high108 Ų10842.8 Ų42.870%0.70124%0.24SC*.Hα-helixtrans-57.3-26.1174.7-26.535.4000113.9R500P496-R500 WeakPolarHBondContact O-CB 3.34Å; P496-R500 PolarHBondContact O-N 3.23Å
497I97.4Very high97.5Very high73 Ų7337.3 Ų37.337%0.37421%0.211SC..Hα-helixtrans-74.9-46.2177.8-73.2163.8000110.9E483 T495 R500 G501E483-I497 HydrophobicContact CB-CG2 4.38Å; E483-I497 HydrophobicContact CG-CG2 4.43Å; E483-I497 WeakPolarHBondContact OE1-CD1 3.42Å; T495-I497 PolarHBondContact O-N 3.24Å; T495-I497 VanDerWaalsContact O-N 3.13Å; I497-R500 PolarHBondContact O-N 3.24Å; I497-G501 PolarHBondContact O-N 3.15Å
498I98.1Very high97.6Very high0 Ų034.4 Ų34.40%020%0.198CC..Hα-helixtrans-65.9-40.9175.2-64.1-58.2000111.2M480 E483 F487 M488 L494 T495 G501 I502M480-I498 HydrophobicContact CB-CD1 3.97Å; M480-I498 HydrophobicContact CG-CD1 3.95Å; M480-I498 HydrophobicContact SD-CD1 3.82Å; E483-I498 HydrophobicContact CB-CD1 3.94Å; E483-I498 HydrophobicContact CB-CG1 4.34Å; F487-I498 HydrophobicContact CB-CD1 4.35Å; F487-I498 HydrophobicContact CB-CG1 3.65Å; M488-I498 HydrophobicContact SD-CD1 4.37Å; M488-I498 HydrophobicContact SD-CG2 4.2Å; L494-I498 HydrophobicContact CD1-CB 4.19Å; L494-I498 HydrophobicContact CD1-CG2 3.75Å; T495-I498 PolarHBondContact O-N 3.14Å; T495-I498 WeakPolarHBondContact OG1-CG1 3.48Å; T495-I498 PolarHBondContact OG1-N 3Å; I498-G501 PolarHBondContact O-N 3.15Å; I498-I502 HydrophobicContact CG2-CD1 3.73Å; I498-I502 HydrophobicContact CG2-CG1 4.27Å; I498-I502 WeakPolarHBondContact O-CG1 3.47Å; I498-I502 PolarHBondContact O-N 2.98Å
499D98.1Very high97.6Very high44 Ų4434.3 Ų34.324%0.23520%0.197CC..Hα-helixtrans-59.1-50.6175.4-171.121.3000111.3L494 T495 G501 A503 H645L494-D499 HydrophobicContact CD1-CB 4.22Å; L494-D499 HydrophobicContact CD2-CB 4.11Å; L494-D499 HydrophobicContact CG-CB 4Å; T495-D499 WeakPolarHBondContact O-CB 3.25Å; T495-D499 PolarHBondContact O-N 3.01Å; D499-G501 VanDerWaalsContact C-N 3.32Å; D499-G501 PolarHBondContact O-N 2.78Å; D499-A503 VanDerWaalsContact O-CB 3.31Å; D499-A503 WeakPolarHBondContact O-CB 3.43Å; D499-A503 PolarHBondContact O-N 3.15Å; D499-H645 VanDerWaalsContact CG-NE2 3.26Å; D499-H645 IonicContact OD1-CD2 2.84Å; D499-H645 IonicContact OD1-CE1 3.6Å; D499-H645 IonicContact OD1-NE2 3.18Å; D499-H645 PolarHBondContact OD1-NE2 2.88Å; D499-H645 IonicContact OD2-CE1 3.5Å; D499-H645 PolarHBondContact OD2-CE1 3.43Å; D499-H645 IonicContact OD2-NE2 2.73Å; D499-H645 PolarHBondContact OD2-NE2 3.17Å
500R98Very high97.7Very high48 Ų4832.8 Ų32.818%0.18119%0.186CC..Hα-helixtrans-54.1-48.4172.5173.1179.4175.4-88.10.4111.6D437 L479 P496 I497 A503 L504D437-R500 IonicContact OD1-CZ 3.32Å; D437-R500 IonicContact OD1-NE 2.87Å; D437-R500 PolarHBondContact OD1-NE 3.21Å; D437-R500 IonicContact OD1-NH2 3.67Å; D437-R500 PolarHBondContact OD1-NH2 3.5Å; D437-R500 IonicContact OD2-CZ 3.61Å; D437-R500 IonicContact OD2-NE 2.72Å; D437-R500 PolarHBondContact OD2-NE 2.66Å; D437-R500 IonicContact OD2-NH2 3.49Å; L479-R500 PolarHBondContact O-NH1 3.16Å; P496-R500 WeakPolarHBondContact O-CB 3.34Å; P496-R500 PolarHBondContact O-N 3.23Å; I497-R500 PolarHBondContact O-N 3.24Å; R500-A503 PolarHBondContact O-N 3.09Å; R500-L504 HydrophobicContact CG-CD1 3.75Å; R500-L504 HydrophobicContact CG-CG 4.31Å; R500-L504 WeakPolarHBondContact O-CB 3.46Å; R500-L504 WeakPolarHBondContact O-CG 3.42Å; R500-L504 PolarHBondContact O-N 3.33Å
501G97.8Very high97.8Very high0 Ų030.5 Ų30.50%017%0.172CC..Hα-helixtrans-66.7-44.7-173.800000113I497 I498 D499 H505I497-G501 PolarHBondContact O-N 3.15Å; I498-G501 PolarHBondContact O-N 3.15Å; D499-G501 VanDerWaalsContact C-N 3.32Å; D499-G501 PolarHBondContact O-N 2.78Å; G501-H505 WeakPolarHBondContact O-CB 3.25Å; G501-H505 PolarHBondContact O-N 2.88Å
502I98.3Very high97.9Very high3 Ų324.1 Ų24.12%0.01514%0.139CC..Hα-helixtrans-62.5-45.7175.6-69.5173.9000110.4M480 I498 K506 R561 L565M480-I502 HydrophobicContact SD-CG1 4.43Å; I498-I502 HydrophobicContact CG2-CD1 3.73Å; I498-I502 HydrophobicContact CG2-CG1 4.27Å; I498-I502 WeakPolarHBondContact O-CG1 3.47Å; I498-I502 PolarHBondContact O-N 2.98Å; I502-K506 WeakPolarHBondContact O-CE 2.94Å; I502-K506 WeakPolarHBondContact O-CG 3.02Å; I502-K506 PolarHBondContact O-N 3.12Å; I502-R561 HydrophobicContact CD1-CB 4Å; I502-R561 HydrophobicContact CD1-CG 4.46Å; I502-L565 HydrophobicContact CB-CD2 4.45Å; I502-L565 HydrophobicContact CG2-CD2 3.97Å
503A98.5Very high98Very high10 Ų1023 Ų238%0.08313%0.131CC..Hα-helixtrans-62.1-52.8179.800000112.3D499 R500 H505 K506 M507 R675D499-A503 VanDerWaalsContact O-CB 3.31Å; D499-A503 WeakPolarHBondContact O-CB 3.43Å; D499-A503 PolarHBondContact O-N 3.15Å; R500-A503 PolarHBondContact O-N 3.09Å; A503-H505 PolarHBondContact O-N 3.13Å; A503-K506 PolarHBondContact O-N 3.21Å; A503-M507 WeakPolarHBondContact O-CG 3.25Å; A503-M507 PolarHBondContact O-N 3.29Å; A503-M507 VanDerWaalsContact O-N 3.1Å; A503-R675 HydrophobicContact CB-CB 3.88Å
504L98.6Very high98.1Very high1 Ų118.4 Ų18.41%0.00510%0.101CC..Hα-helixtrans-66.8-36.5-178.2-71.3-179.3000112.5W440 L479 R500 K506 M507 I508 F612W440-L504 HydrophobicContact CH2-CD1 4.2Å; W440-L504 HydrophobicContact CZ3-CD2 4.44Å; L479-L504 HydrophobicContact CD1-CB 4.11Å; L479-L504 HydrophobicContact CD2-CB 3.78Å; L479-L504 HydrophobicContact CD2-CD1 3.72Å; L479-L504 HydrophobicContact CD2-CG 4.4Å; R500-L504 HydrophobicContact CG-CD1 3.75Å; R500-L504 HydrophobicContact CG-CG 4.31Å; R500-L504 WeakPolarHBondContact O-CB 3.46Å; R500-L504 WeakPolarHBondContact O-CG 3.42Å; R500-L504 PolarHBondContact O-N 3.33Å; L504-K506 VanDerWaalsContact C-N 3.32Å; L504-K506 PolarHBondContact O-N 3.38Å; L504-M507 HydrophobicContact CD2-SD 4.19Å; L504-M507 PolarHBondContact O-N 3.13Å; L504-I508 HydrophobicContact CB-CD1 4.43Å; L504-I508 VanDerWaalsContact O-CB 3.3Å; L504-I508 WeakPolarHBondContact O-CB 3.38Å; L504-I508 WeakPolarHBondContact O-CG1 3.49Å; L504-I508 PolarHBondContact O-N 3.13Å; L504-F612 HydrophobicContact CD2-CD1 4.01Å; L504-F612 HydrophobicContact CD2-CE1 4.35Å
505H98.6Very high98.2Very high0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-58.2-45.5175.9-171.1-74.2000111.5L479 G501 A503 R509 N526 L565L479-H505 HydrophobicContact CD1-CB 4Å; G501-H505 WeakPolarHBondContact O-CB 3.25Å; G501-H505 PolarHBondContact O-N 2.88Å; A503-H505 PolarHBondContact O-N 3.13Å; H505-R509 WeakPolarHBondContact O-CG 3.46Å; H505-R509 PolarHBondContact O-N 3Å; H505-N526 PolarHBondContact CE1-O 3.1Å; H505-N526 VanDerWaalsContact CE1-O 3.27Å; H505-L565 HydrophobicContact CB-CD2 4.14Å
506K98.7Very high98.1Very high4 Ų414 Ų142%0.0178%0.078CC..Hα-helixtrans-62.1-45.2176.1-68.8-177.3-64.6-170.90112I502 A503 L504 L510 L565 W568 S637 F642I502-K506 WeakPolarHBondContact O-CE 2.94Å; I502-K506 WeakPolarHBondContact O-CG 3.02Å; I502-K506 PolarHBondContact O-N 3.12Å; A503-K506 PolarHBondContact O-N 3.21Å; L504-K506 VanDerWaalsContact C-N 3.32Å; L504-K506 PolarHBondContact O-N 3.38Å; K506-L510 PolarHBondContact O-N 3.34Å; K506-L565 HydrophobicContact CD-CD2 4.41Å; K506-L565 HydrophobicContact CG-CD2 3.76Å; K506-W568 HydrophobicContact CB-CD2 4.23Å; K506-W568 HydrophobicContact CB-CG 4.03Å; K506-W568 HydrophobicContact CB-CZ2 4.49Å; K506-W568 HydrophobicContact CD-CB 4.01Å; K506-W568 HydrophobicContact CD-CD2 4.11Å; K506-W568 HydrophobicContact CD-CG 3.8Å; K506-W568 HydrophobicContact CG-CB 4.06Å; K506-W568 VanDerWaalsContact CG-CD1 3.42Å; K506-W568 HydrophobicContact CG-CD2 4.18Å; K506-W568 HydrophobicContact CG-CG 3.61Å; K506-W568 PolarHBondContact O-NE1 2.99Å; K506-W568 VanDerWaalsContact O-NE1 3.07Å; K506-S637 PolarHBondContact NZ-O 2.87Å; K506-F642 HydrophobicContact CD-CB 4.07Å; K506-F642 PolarHBondContact NZ-O 3.16Å
507M98.7Very high98.1Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-66.2-46.8-178.8-68.8174.471.600112.7A503 L504 R509 L510 I511 F610 N611 F612 R675 C677A503-M507 WeakPolarHBondContact O-CG 3.25Å; A503-M507 PolarHBondContact O-N 3.29Å; A503-M507 VanDerWaalsContact O-N 3.1Å; L504-M507 HydrophobicContact CD2-SD 4.19Å; L504-M507 PolarHBondContact O-N 3.13Å; M507-R509 VanDerWaalsContact C-N 3.34Å; M507-R509 PolarHBondContact O-N 3.11Å; M507-L510 PolarHBondContact O-N 3Å; M507-I511 WeakPolarHBondContact O-CG2 3.36Å; M507-I511 PolarHBondContact O-N 3.12Å; M507-F610 HydrophobicContact CB-CD1 4.45Å; M507-F610 HydrophobicContact CE-CB 4.3Å; M507-F610 HydrophobicContact CE-CD1 4.37Å; M507-N611 WeakPolarHBondContact CE-O 3.33Å; M507-F612 HydrophobicContact CB-CE1 4.02Å; M507-F612 HydrophobicContact CB-CZ 4.21Å; M507-F612 HydrophobicContact CE-CB 4.41Å; M507-F612 HydrophobicContact CE-CD1 3.54Å; M507-F612 HydrophobicContact CE-CD2 3.91Å; M507-F612 HydrophobicContact CE-CE1 3.63Å; M507-F612 HydrophobicContact CE-CE2 3.99Å; M507-F612 HydrophobicContact CE-CG 3.68Å; M507-F612 HydrophobicContact CE-CZ 3.86Å; M507-F612 HydrophobicContact SD-CD1 4.49Å; M507-F612 HydrophobicContact SD-CE1 4.48Å; M507-R675 HydrophobicContact SD-CB 4.28Å; M507-C677 HydrophobicContact CG-CB 4.05Å
508I98.6Very high98.1Very high0 Ų06.8 Ų6.80%03%0.033CC..Hα-helixtrans-58-46.5179.4-74.2169.6000110.5W428 L432 A462 L475 L479 L504 I511 T512W428-I508 HydrophobicContact CD2-CG1 4.26Å; W428-I508 HydrophobicContact CD2-CG2 3.72Å; W428-I508 HydrophobicContact CE3-CD1 4.11Å; W428-I508 HydrophobicContact CE3-CG1 3.85Å; W428-I508 HydrophobicContact CE3-CG2 4.2Å; W428-I508 HydrophobicContact CG-CG2 4.03Å; W428-I508 HydrophobicContact CH2-CB 4.38Å; W428-I508 HydrophobicContact CH2-CG1 3.92Å; W428-I508 HydrophobicContact CH2-CG2 4.39Å; W428-I508 HydrophobicContact CZ2-CB 4.34Å; W428-I508 HydrophobicContact CZ2-CG1 4.33Å; W428-I508 HydrophobicContact CZ2-CG2 3.95Å; W428-I508 HydrophobicContact CZ3-CD1 4.34Å; W428-I508 HydrophobicContact CZ3-CG1 3.69Å; L432-I508 HydrophobicContact CD1-CD1 4.46Å; A462-I508 HydrophobicContact CB-CG2 3.91Å; L475-I508 HydrophobicContact CD1-CG2 3.77Å; L479-I508 HydrophobicContact CD1-CD1 4.41Å; L504-I508 HydrophobicContact CB-CD1 4.43Å; L504-I508 VanDerWaalsContact O-CB 3.3Å; L504-I508 WeakPolarHBondContact O-CB 3.38Å; L504-I508 WeakPolarHBondContact O-CG1 3.49Å; L504-I508 PolarHBondContact O-N 3.13Å; I508-I511 WeakPolarHBondContact O-CG2 3.45Å; I508-T512 WeakPolarHBondContact O-CB 3.25Å; I508-T512 PolarHBondContact O-N 2.96Å; I508-T512 VanDerWaalsContact O-N 3.13Å; I508-T512 PolarHBondContact O-OG1 2.71Å
509R98.6Very high98.1Very high2 Ų26.8 Ų6.81%0.0083%0.033CC..Hα-helixtrans-66.3-47.7177-67.6-160-24.1-137.7-8.5112H505 M507 I511 T512 H513 W520 E527 W568 D569H505-R509 WeakPolarHBondContact O-CG 3.46Å; H505-R509 PolarHBondContact O-N 3Å; M507-R509 VanDerWaalsContact C-N 3.34Å; M507-R509 PolarHBondContact O-N 3.11Å; R509-I511 PolarHBondContact O-N 2.69Å; R509-T512 PolarHBondContact O-N 3.5Å; R509-H513 WeakPolarHBondContact O-CB 3.25Å; R509-H513 PolarHBondContact O-N 2.82Å; R509-W520 HydrophobicContact CB-CH2 4.19Å; R509-W520 HydrophobicContact CB-CZ2 4.42Å; R509-W520 HydrophobicContact CG-CH2 4.33Å; R509-E527 VanDerWaalsContact NH1-CA 3.31Å; R509-E527 PolarHBondContact NH1-O 3.15Å; R509-W568 VanDerWaalsContact NH2-CD1 3.31Å; R509-D569 IonicContact CZ-OD1 3.87Å; R509-D569 IonicContact NE-OD1 2.76Å; R509-D569 PolarHBondContact NE-OD1 3.29Å; R509-D569 IonicContact NH1-OD1 3.21Å; R509-D569 PolarHBondContact NH1-OD1 3.16Å; R509-D569 VanDerWaalsContact NH2-N 3.11Å; R509-D569 IonicContact NH2-OD1 2.77Å; R509-D569 PolarHBondContact NH2-OD1 3.35Å
510L98.6Very high98.1Very high0 Ų04.8 Ų4.80%02%0.022CC..Hα-helixtrans-61.3-48.7-178-176.868.8000111K506 M507 T512 H513 C514 W568 M572 F610 L635 C677 V679K506-L510 PolarHBondContact O-N 3.34Å; M507-L510 PolarHBondContact O-N 3Å; L510-T512 VanDerWaalsContact C-N 3.29Å; L510-T512 PolarHBondContact O-N 2.75Å; L510-H513 WeakPolarHBondContact O-CB 3.45Å; L510-H513 PolarHBondContact O-N 3.15Å; L510-H513 VanDerWaalsContact O-N 3.15Å; L510-C514 PolarHBondContact O-N 3.25Å; L510-C514 PolarHBondContact O-SG 3.19Å; L510-W568 HydrophobicContact CB-CZ2 3.99Å; L510-W568 HydrophobicContact CD2-CH2 4.16Å; L510-W568 HydrophobicContact CD2-CZ2 3.81Å; L510-W568 HydrophobicContact CG-CZ2 4.3Å; L510-M572 HydrophobicContact CB-SD 4.41Å; L510-M572 HydrophobicContact CD1-CG 3.82Å; L510-M572 HydrophobicContact CD1-SD 4.04Å; L510-F610 HydrophobicContact CB-CE1 4.11Å; L510-F610 HydrophobicContact CB-CZ 4.27Å; L510-F610 HydrophobicContact CD2-CE1 4.05Å; L510-F610 HydrophobicContact CD2-CZ 3.87Å; L510-F610 HydrophobicContact CG-CE1 4.18Å; L510-F610 HydrophobicContact CG-CZ 3.91Å; L510-L635 HydrophobicContact CD1-CD1 4.3Å; L510-C677 HydrophobicContact CD2-CB 4.16Å; L510-V679 HydrophobicContact CD2-CG2 4.03Å
511I98.6Very high98.1Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-62.7-38.5-178.7-162.7175.1000111.4W428 L445 L449 M507 I508 R509 L515 V599 F601 F610 F612W428-I511 HydrophobicContact CH2-CG2 3.7Å; W428-I511 HydrophobicContact CZ2-CG2 3.53Å; L445-I511 HydrophobicContact CD2-CD1 4.27Å; L449-I511 HydrophobicContact CD1-CD1 4Å; L449-I511 HydrophobicContact CD1-CG1 3.82Å; L449-I511 HydrophobicContact CD1-CG2 4.23Å; M507-I511 WeakPolarHBondContact O-CG2 3.36Å; M507-I511 PolarHBondContact O-N 3.12Å; I508-I511 WeakPolarHBondContact O-CG2 3.45Å; R509-I511 PolarHBondContact O-N 2.69Å; I511-L515 HydrophobicContact CG1-CB 4.47Å; I511-L515 HydrophobicContact CG1-CD2 4.44Å; I511-L515 WeakPolarHBondContact O-CB 3.41Å; I511-L515 PolarHBondContact O-N 3.32Å; I511-V599 HydrophobicContact CD1-CG1 4.31Å; I511-F601 HydrophobicContact CG1-CE1 4.18Å; I511-F601 HydrophobicContact CG1-CZ 4.43Å; I511-F610 HydrophobicContact CB-CD1 4.09Å; I511-F610 HydrophobicContact CB-CE1 3.54Å; I511-F610 HydrophobicContact CB-CE2 4.18Å; I511-F610 HydrophobicContact CB-CZ 3.6Å; I511-F610 HydrophobicContact CD1-CD2 4.42Å; I511-F610 HydrophobicContact CD1-CG 4.46Å; I511-F610 HydrophobicContact CG1-CD2 4.42Å; I511-F610 HydrophobicContact CG1-CE1 4.27Å; I511-F610 HydrophobicContact CG1-CE2 4.07Å; I511-F610 HydrophobicContact CG1-CZ 4Å; I511-F612 HydrophobicContact CD1-CE2 4Å; I511-F612 HydrophobicContact CD1-CZ 4.29Å; I511-F612 HydrophobicContact CG2-CZ 4.33Å
512T98.5Very high98.2Very high0 Ų02.9 Ų2.90%02%0.016CC..Hα-helixtrans-65.2-44.2175.1-54.80000111.2I424 W428 L449 A460 A462 I508 R509 L510 C514 G516 W520I424-T512 HydrophobicContact CD1-CG2 4.31Å; I424-T512 HydrophobicContact CG2-CG2 3.69Å; W428-T512 PolarHBondContact NE1-OG1 2.65Å; L449-T512 HydrophobicContact CD2-CG2 4.36Å; A460-T512 HydrophobicContact CB-CG2 4.05Å; A462-T512 HydrophobicContact CB-CG2 4.46Å; I508-T512 WeakPolarHBondContact O-CB 3.25Å; I508-T512 PolarHBondContact O-N 2.96Å; I508-T512 VanDerWaalsContact O-N 3.13Å; I508-T512 PolarHBondContact O-OG1 2.71Å; R509-T512 PolarHBondContact O-N 3.5Å; L510-T512 VanDerWaalsContact C-N 3.29Å; L510-T512 PolarHBondContact O-N 2.75Å; T512-C514 PolarHBondContact O-N 3.38Å; T512-G516 WeakPolarHBondContact O-CA 3.43Å; T512-G516 PolarHBondContact O-N 3.46Å; T512-W520 HydrophobicContact CG2-CZ3 3.81Å
513H98.3Very high98.1Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-63.2-40-179.5-171.9-70.3000112.6R509 L510 W520 M572 N573 W581 L582R509-H513 WeakPolarHBondContact O-CB 3.25Å; R509-H513 PolarHBondContact O-N 2.82Å; L510-H513 WeakPolarHBondContact O-CB 3.45Å; L510-H513 PolarHBondContact O-N 3.15Å; L510-H513 VanDerWaalsContact O-N 3.15Å; H513-W520 HydrophobicContact CB-CD2 4.17Å; H513-W520 HydrophobicContact CB-CE3 3.86Å; H513-W520 HydrophobicContact CB-CZ3 4.1Å; H513-W520 AromaticContact CD2-CD1 3.36Å; H513-W520 AromaticContact CD2-CD2 3.29Å; H513-W520 AromaticContact CD2-CE2 3.65Å; H513-W520 AromaticContact CD2-CE3 3.88Å; H513-W520 AromaticContact CD2-CG 3.12Å; H513-W520 AromaticContact CD2-NE1 3.67Å; H513-W520 AromaticContact CG-CD2 3.99Å; H513-W520 AromaticContact NE2-CD1 3.62Å; H513-W520 AromaticContact NE2-CG 3.56Å; H513-M572 HydrophobicContact CB-CE 4.36Å; H513-M572 HydrophobicContact CB-CG 4.5Å; H513-M572 HydrophobicContact CB-SD 3.63Å; H513-M572 VanDerWaalsContact CD2-CE 3.41Å; H513-M572 WeakPolarHBondContact CD2-CE 3.44Å; H513-N573 PolarHBondContact NE2-OD1 2.89Å; H513-W581 AromaticContact CE1-CE2 3.82Å; H513-W581 AromaticContact CE1-CZ2 3.63Å; H513-W581 AromaticContact CE1-NE1 3.47Å; H513-W581 PolarHBondContact CE1-NE1 2.63Å; H513-W581 AromaticContact ND1-CE2 3.65Å; H513-W581 AromaticContact ND1-CZ2 3.58Å; H513-W581 AromaticContact ND1-NE1 3.13Å; H513-W581 PolarHBondContact ND1-NE1 3.05Å; H513-W581 VanDerWaalsContact ND1-NE1 3.13Å; H513-L582 WeakPolarHBondContact O-CD2 3.45Å
514C97.4Very high98.1Very high0 Ų02.3 Ų2.30%01%0.011CC..Hα-helixtrans-96.5-16.3-177.659.50000115L510 T512 F601 R603 F608L510-C514 PolarHBondContact O-N 3.25Å; L510-C514 PolarHBondContact O-SG 3.19Å; T512-C514 PolarHBondContact O-N 3.38Å; C514-F601 HydrophobicContact CB-CE2 4.24Å; C514-F601 HydrophobicContact CB-CZ 4.46Å; C514-F601 WeakPolarHBondContact SG-CZ 3.42Å; C514-R603 WeakPolarHBondContact O-CD 3.42Å; C514-R603 PolarHBondContact O-NH1 2.54Å; C514-F608 HydrophobicContact CB-CD1 3.9Å; C514-F608 HydrophobicContact CB-CE1 3.44Å; C514-F608 VanDerWaalsContact CB-CE1 3.44Å; C514-F608 HydrophobicContact CB-CE2 4.41Å; C514-F608 HydrophobicContact CB-CZ 3.74Å; C514-F608 WeakPolarHBondContact SG-CD1 3.42Å
515L97.3Very high98Very high2 Ų22.2 Ų2.21%0.011%0.011CC..Hα-helixtrans-115.1-22.9-179.7-162.960.3000114.5V446 L449 E450 R452 I511 A587 F601V446-L515 HydrophobicContact CG1-CD2 4.35Å; V446-L515 HydrophobicContact CG2-CD2 4.37Å; L449-L515 HydrophobicContact CB-CB 4.25Å; L449-L515 HydrophobicContact CB-CD2 4.03Å; L449-L515 HydrophobicContact CB-CG 3.99Å; L449-L515 HydrophobicContact CD1-CB 4.32Å; L449-L515 HydrophobicContact CD1-CD2 3.99Å; E450-L515 HydrophobicContact CG-CD1 3.87Å; E450-L515 HydrophobicContact CG-CD2 4.23Å; E450-L515 HydrophobicContact CG-CG 3.93Å; R452-L515 PolarHBondContact NH2-O 3.07Å; I511-L515 HydrophobicContact CG1-CB 4.47Å; I511-L515 HydrophobicContact CG1-CD2 4.44Å; I511-L515 WeakPolarHBondContact O-CB 3.41Å; I511-L515 PolarHBondContact O-N 3.32Å; L515-A587 HydrophobicContact CD1-CB 3.5Å; L515-F601 HydrophobicContact CB-CE1 4.43Å; L515-F601 HydrophobicContact CB-CE2 4.33Å; L515-F601 HydrophobicContact CB-CZ 3.96Å; L515-F601 HydrophobicContact CD1-CD1 4.44Å; L515-F601 HydrophobicContact CD1-CD2 4.11Å; L515-F601 HydrophobicContact CD1-CE1 4.48Å; L515-F601 HydrophobicContact CD1-CE2 4.15Å; L515-F601 HydrophobicContact CD1-CG 4.24Å; L515-F601 HydrophobicContact CD1-CZ 4.31Å; L515-F601 HydrophobicContact CD2-CD1 4.32Å; L515-F601 HydrophobicContact CD2-CE1 4.08Å; L515-F601 HydrophobicContact CD2-CZ 4.42Å; L515-F601 HydrophobicContact CG-CZ 4.48Å
516G96.3Very high98Very high0 Ų02.3 Ų2.30%01%0.011CC..SBendtrans-87.6-14.2-167.600000116.9L449 R452 A460 T512L449-G516 WeakPolarHBondContact O-CA 3.3Å; R452-G516 WeakPolarHBondContact CD-O 3.38Å; R452-G516 PolarHBondContact NE-O 2.81Å; R452-G516 PolarHBondContact NH1-O 2.79Å; R452-G516 VanDerWaalsContact NH2-C 3.34Å; A460-G516 VanDerWaalsContact CB-C 3.4Å; A460-G516 WeakPolarHBondContact CB-O 3.48Å; T512-G516 WeakPolarHBondContact O-CA 3.43Å; T512-G516 PolarHBondContact O-N 3.46Å
517G96.4Very high97.9Very high0 Ų02.2 Ų2.20%01%0.011CC..  trans-166173.6-165.900000116.4R603G517-R603 VanDerWaalsContact O-CZ 3.31Å; G517-R603 PolarHBondContact O-NH1 2.78Å; G517-R603 PolarHBondContact O-NH2 2.82Å
518E97.8Very high97.9Very high29 Ų292.2 Ų2.214%0.1361%0.011CC..SBendtrans-102.10.2167.2-66.666.1-13200111.8Y418 R452 K457 N458 L582 R603Y418-E518 HydrophobicContact CE1-CB 4.31Å; R452-E518 IonicContact CZ-OE1 2.72Å; R452-E518 VanDerWaalsContact NH1-CD 3.34Å; R452-E518 IonicContact NH1-OE1 3.52Å; R452-E518 PolarHBondContact NH1-OE1 3.34Å; R452-E518 IonicContact NH1-OE2 3.54Å; R452-E518 PolarHBondContact NH1-OE2 2.62Å; R452-E518 VanDerWaalsContact NH1-OE2 3.07Å; R452-E518 IonicContact NH2-OE1 3.71Å; K457-E518 WeakPolarHBondContact CA-OE2 3.47Å; K457-E518 HydrophobicContact CB-CB 4.06Å; K457-E518 HydrophobicContact CB-CG 4.42Å; K457-E518 HydrophobicContact CD-CB 4.49Å; K457-E518 HydrophobicContact CG-CB 4.19Å; K457-E518 HydrophobicContact CG-CG 4.3Å; N458-E518 PolarHBondContact N-OE2 2.87Å; N458-E518 PolarHBondContact O-N 2.83Å; E518-L582 VanDerWaalsContact CA-O 3.3Å; E518-L582 WeakPolarHBondContact CA-O 3.3Å; E518-R603 IonicContact OE1-NH2 2.83Å
519G98Very high97.8Very high0 Ų02.2 Ų2.20%01%0.011CC..EExtended strand (participates in β ladder)trans-147.5165.2165.600000110.8L182 N458 A460L182-G519 CarbonylContact O-C 3.25Å; L182-G519 VanDerWaalsContact O-CA 3.24Å; L182-G519 WeakPolarHBondContact O-CA 3.48Å; N458-G519 PolarHBondContact O-N 3.17Å; N458-G519 VanDerWaalsContact O-N 3.08Å; A460-G519 PolarHBondContact N-O 3.47Å
520W98.4Very high97.7Very high1 Ų12.4 Ų2.40%0.0041%0.011CC..EExtended strand (participates in β ladder)trans-120.1143.2-179.8171.9-117.4000110.5L182 I184 Y217 A460 A462 R509 T512 H513 N522 M572 L582L182-W520 PolarHBondContact O-N 2.9Å; I184-W520 WeakPolarHBondContact CB-O 3.19Å; I184-W520 PolarHBondContact N-O 3.07Å; Y217-W520 AromaticContact CE1-CD1 3.92Å; Y217-W520 AromaticContact CE1-NE1 3.92Å; A460-W520 CarbonylContact O-C 3.46Å; A460-W520 WeakPolarHBondContact O-CA 3.43Å; A462-W520 HydrophobicContact CB-CH2 4.23Å; R509-W520 HydrophobicContact CB-CH2 4.19Å; R509-W520 HydrophobicContact CB-CZ2 4.42Å; R509-W520 HydrophobicContact CG-CH2 4.33Å; T512-W520 HydrophobicContact CG2-CZ3 3.81Å; H513-W520 HydrophobicContact CB-CD2 4.17Å; H513-W520 HydrophobicContact CB-CE3 3.86Å; H513-W520 HydrophobicContact CB-CZ3 4.1Å; H513-W520 AromaticContact CD2-CD1 3.36Å; H513-W520 AromaticContact CD2-CD2 3.29Å; H513-W520 AromaticContact CD2-CE2 3.65Å; H513-W520 AromaticContact CD2-CE3 3.88Å; H513-W520 AromaticContact CD2-CG 3.12Å; H513-W520 AromaticContact CD2-NE1 3.67Å; H513-W520 AromaticContact CG-CD2 3.99Å; H513-W520 AromaticContact NE2-CD1 3.62Å; H513-W520 AromaticContact NE2-CG 3.56Å; W520-N522 HydrophobicContact CZ2-CB 4.46Å; W520-M572 HydrophobicContact CZ2-CE 4.11Å; W520-L582 HydrophobicContact CB-CD1 4.13Å
521L98.6Very high97.4Very high4 Ų42.5 Ų2.52%0.0211%0.012CC..EExtended strand (participates in β ladder)trans-131.8139.3171.5178.6154.9000110.7I184 E186 L420 I459 A460 Y461I184-L521 HydrophobicContact CB-CB 4.15Å; I184-L521 HydrophobicContact CB-CD1 4.42Å; I184-L521 HydrophobicContact CB-CG 4.28Å; I184-L521 HydrophobicContact CG2-CD1 4.12Å; I184-L521 HydrophobicContact CG2-CG 4.29Å; I184-L521 CarbonylContact O-C 3.56Å; I184-L521 VanDerWaalsContact O-CA 3.32Å; I184-L521 WeakPolarHBondContact O-CA 3.47Å; E186-L521 HydrophobicContact CB-CD1 4.21Å; E186-L521 HydrophobicContact CB-CD2 3.99Å; E186-L521 HydrophobicContact CB-CG 4.08Å; L420-L521 HydrophobicContact CD2-CD1 4.48Å; I459-L521 HydrophobicContact CG2-CB 3.51Å; I459-L521 HydrophobicContact CG2-CD1 4.38Å; A460-L521 PolarHBondContact O-N 3.38Å; Y461-L521 WeakPolarHBondContact CB-O 3.49Å; Y461-L521 HydrophobicContact CG-CD2 4.18Å
522N98.4Very high97Very high5 Ų53.8 Ų3.83%0.0272%0.018CC..EExtended strand (participates in β ladder)trans-132.5132.2172172.481.5000110.1I184 Y185 E186 Y217 W520 E527I184-N522 PolarHBondContact O-N 3.04Å; Y185-N522 CarbonylContact C-O 3.59Å; E186-N522 PolarHBondContact N-O 2.92Å; Y217-N522 HydrophobicContact CE1-CB 3.83Å; Y217-N522 WeakPolarHBondContact OH-CB 3.45Å; W520-N522 HydrophobicContact CZ2-CB 4.46Å; N522-E527 PolarHBondContact ND2-OE2 3.21Å; N522-E527 PolarHBondContact OD1-N 2.78Å
523F98.1Very high96.6Very high0 Ų07.2 Ų7.20%03%0.031CC..EExtended strand (participates in β ladder)trans-83.3138173.7-177.6-118000111.8E186 I191 M223 F234 H465 A468 G525 N526 L534E186-F523 HydrophobicContact CB-CD2 4.15Å; E186-F523 HydrophobicContact CG-CD2 3.9Å; E186-F523 WeakPolarHBondContact O-CD2 3.27Å; E186-F523 WeakPolarHBondContact OE2-CD2 3.45Å; I191-F523 HydrophobicContact CD1-CZ 4Å; M223-F523 HydrophobicContact SD-CE2 4.1Å; F234-F523 HydrophobicContact CZ-CE2 4.19Å; F234-F523 AromaticContact CZ-CZ 3.75Å; F234-F523 HydrophobicContact CZ-CZ 3.75Å; H465-F523 HydrophobicContact CB-CD1 4.13Å; H465-F523 HydrophobicContact CB-CD2 3.69Å; H465-F523 HydrophobicContact CB-CE1 4.01Å; H465-F523 HydrophobicContact CB-CE2 3.61Å; H465-F523 HydrophobicContact CB-CG 3.98Å; H465-F523 HydrophobicContact CB-CZ 3.81Å; A468-F523 HydrophobicContact CB-CD1 3.87Å; A468-F523 HydrophobicContact CB-CE1 3.71Å; F523-G525 PolarHBondContact O-N 3.45Å; F523-N526 WeakPolarHBondContact O-CB 3.38Å; F523-N526 PolarHBondContact O-N 2.93Å; F523-L534 HydrophobicContact CE1-CD2 4.34Å; F523-L534 HydrophobicContact CZ-CD2 4.2Å
524I97.9Very high96.4Very high0 Ų07.2 Ų7.20%03%0.031CC..THydrogen-bonded Turntrans-44.1119.8-176.8-173.4168.7000112.7Y185 E186 A187 I191 I208 R550 W552Y185-I524 HydrophobicContact CE1-CB 3.6Å; Y185-I524 HydrophobicContact CE1-CD1 4.2Å; Y185-I524 HydrophobicContact CE1-CG1 3.7Å; Y185-I524 WeakPolarHBondContact OH-CA 3.46Å; Y185-I524 WeakPolarHBondContact OH-CG1 3.24Å; E186-I524 PolarHBondContact O-N 3.46Å; A187-I524 HydrophobicContact CB-CD1 4.39Å; I191-I524 HydrophobicContact CD1-CG2 4.4Å; I208-I524 HydrophobicContact CG2-CD1 4.27Å; I524-R550 HydrophobicContact CD1-CG 4.44Å; I524-R550 HydrophobicContact CG1-CG 4.2Å; I524-R550 VanDerWaalsContact O-CZ 3.26Å; I524-R550 PolarHBondContact O-NE 3.09Å; I524-R550 PolarHBondContact O-NH2 3.3Å; I524-W552 HydrophobicContact CD1-CH2 4.35Å; I524-W552 HydrophobicContact CD1-CZ2 3.94Å; I524-W552 HydrophobicContact CG1-CH2 3.9Å; I524-W552 HydrophobicContact CG1-CZ2 3.91Å
525G96.9Very high96.1Very high0 Ų07.7 Ų7.70%03%0.034CC..THydrogen-bonded Turntrans100.1-28.6-179.500000114.8F523 E527 F528 G529 H530F523-G525 PolarHBondContact O-N 3.45Å; G525-E527 VanDerWaalsContact C-OE2 3.27Å; G525-E527 WeakPolarHBondContact CA-OE2 3.4Å; G525-E527 PolarHBondContact N-OE2 3.06Å; G525-E527 PolarHBondContact O-N 3.19Å; G525-F528 WeakPolarHBondContact O-CD1 3.5Å; G525-F528 PolarHBondContact O-N 3.47Å; G525-G529 PolarHBondContact O-N 3.47Å; G525-H530 WeakPolarHBondContact O-CB 3.41Å; G525-H530 PolarHBondContact O-N 3.42Å; G525-H530 VanDerWaalsContact O-N 3.11Å
526N97.4Very high95.9Very high1 Ų17.9 Ų7.91%0.0053%0.034CC..G310 helixtrans-70.3-20.8-177-65.3-2.6000111.6E463 H505 F523 F528 G529E463-N526 HydrophobicContact CG-CB 4.25Å; E463-N526 WeakPolarHBondContact CG-ND2 3.38Å; E463-N526 WeakPolarHBondContact OE1-CB 3.49Å; H505-N526 PolarHBondContact CE1-O 3.1Å; H505-N526 VanDerWaalsContact CE1-O 3.27Å; F523-N526 WeakPolarHBondContact O-CB 3.38Å; F523-N526 PolarHBondContact O-N 2.93Å; N526-F528 PolarHBondContact O-N 3.03Å; N526-F528 VanDerWaalsContact O-N 3.16Å; N526-G529 PolarHBondContact O-N 3.48Å; N526-G529 VanDerWaalsContact O-N 3.11Å
527E97.9Very high95.7Very high3 Ų38.6 Ų8.61%0.0144%0.039CC..G310 helixtrans-62.6-24.2176.570.5-77.7-172.800113.3Y185 R509 N522 G525 L565 D569Y185-E527 HydrophobicContact CE2-CG 4.41Å; Y185-E527 VanDerWaalsContact OH-CD 3.22Å; Y185-E527 PolarHBondContact OH-OE1 2.62Å; Y185-E527 PolarHBondContact OH-OE2 3.31Å; R509-E527 VanDerWaalsContact NH1-CA 3.31Å; R509-E527 PolarHBondContact NH1-O 3.15Å; N522-E527 PolarHBondContact ND2-OE2 3.21Å; N522-E527 PolarHBondContact OD1-N 2.78Å; G525-E527 VanDerWaalsContact C-OE2 3.27Å; G525-E527 WeakPolarHBondContact CA-OE2 3.4Å; G525-E527 PolarHBondContact N-OE2 3.06Å; G525-E527 PolarHBondContact O-N 3.19Å; E527-L565 CarbonylContact O-C 3.56Å; E527-L565 VanDerWaalsContact O-O 3.13Å; E527-D569 HydrophobicContact CB-CB 4Å; E527-D569 WeakPolarHBondContact CB-OD2 3.24Å
528F97.9Very high95.5Very high0 Ų012.5 Ų12.50%05%0.054CC..G310 helixtrans-11510.417764.4-99.7000112.8G525 N526 H530 W552 V555 Y562 N566G525-F528 WeakPolarHBondContact O-CD1 3.5Å; G525-F528 PolarHBondContact O-N 3.47Å; N526-F528 PolarHBondContact O-N 3.03Å; N526-F528 VanDerWaalsContact O-N 3.16Å; F528-H530 HydrophobicContact CD2-CB 4.4Å; F528-H530 HydrophobicContact CE2-CB 3.81Å; F528-H530 AromaticContact CE2-CD2 3.8Å; F528-H530 HydrophobicContact CZ-CB 4.13Å; F528-H530 AromaticContact CZ-CD2 3.64Å; F528-W552 HydrophobicContact CD1-CZ3 4.4Å; F528-W552 AromaticContact CE1-CE3 3.92Å; F528-W552 HydrophobicContact CE1-CE3 3.92Å; F528-W552 HydrophobicContact CE1-CH2 4.36Å; F528-W552 AromaticContact CE1-CZ3 3.59Å; F528-W552 HydrophobicContact CE1-CZ3 3.59Å; F528-W552 HydrophobicContact CZ-CE3 4.39Å; F528-W552 HydrophobicContact CZ-CZ3 4.41Å; F528-V555 HydrophobicContact CB-CB 4.27Å; F528-V555 HydrophobicContact CB-CG2 3.96Å; F528-V555 HydrophobicContact CD1-CB 4.22Å; F528-V555 HydrophobicContact CD1-CG1 4.26Å; F528-V555 HydrophobicContact CD1-CG2 4.4Å; F528-V555 HydrophobicContact CD2-CB 4.14Å; F528-V555 HydrophobicContact CE1-CG1 4.23Å; F528-V555 HydrophobicContact CE2-CB 4.48Å; F528-V555 HydrophobicContact CG-CB 3.98Å; F528-V555 HydrophobicContact CG-CG2 4.16Å; F528-V555 HydrophobicContact CZ-CG1 4.44Å; F528-Y562 HydrophobicContact CD2-CD1 4.14Å; F528-Y562 HydrophobicContact CD2-CG 4.49Å; F528-Y562 WeakPolarHBondContact O-CD1 3.48Å; F528-N566 HydrophobicContact CB-CB 3.82Å
529G96.7Very high95.1Very high0 Ų019.8 Ų19.80%09%0.088CC..THydrogen-bonded Turntrans65.150.8-17800000112.1S476 M484 G525 N526 Y562S476-G529 PolarHBondContact OG-O 3.23Å; M484-G529 VanDerWaalsContact CE-O 3.25Å; M484-G529 WeakPolarHBondContact CE-O 3.37Å; G525-G529 PolarHBondContact O-N 3.47Å; N526-G529 PolarHBondContact O-N 3.48Å; N526-G529 VanDerWaalsContact O-N 3.11Å; G529-Y562 WeakPolarHBondContact O-CE1 3.33Å
530H96.4Very high94.8Very high5 Ų522.8 Ų22.82%0.02312%0.119CC..  trans-49.1133.3177-170.2-70.8000111.1T474 S476 G525 F528 Q551T474-H530 PolarHBondContact OG1-O 3.33Å; S476-H530 PolarHBondContact OG-O 3.49Å; G525-H530 WeakPolarHBondContact O-CB 3.41Å; G525-H530 PolarHBondContact O-N 3.42Å; G525-H530 VanDerWaalsContact O-N 3.11Å; F528-H530 HydrophobicContact CD2-CB 4.4Å; F528-H530 HydrophobicContact CE2-CB 3.81Å; F528-H530 AromaticContact CE2-CD2 3.8Å; F528-H530 HydrophobicContact CZ-CB 4.13Å; F528-H530 AromaticContact CZ-CD2 3.64Å; H530-Q551 PolarHBondContact NE2-N 3.49Å
531P93.2Very high94.5Very high2 Ų224 Ų241%0.01313%0.126CC..  trans-75.3-178.318033.7-36.9000111.9M484 Y485 L554 Y562M484-P531 HydrophobicContact CE-CB 3.79Å; M484-P531 HydrophobicContact SD-CB 4.29Å; Y485-P531 HydrophobicContact CE1-CB 4.44Å; P531-L554 VanDerWaalsContact CD-CD1 3.4Å; P531-L554 HydrophobicContact CG-CD1 3.49Å; P531-L554 VanDerWaalsContact CG-CD1 3.49Å; P531-Y562 HydrophobicContact CG-CE1 4.46Å
532E89.5Confident94.2Very high27 Ų2731.1 Ų31.113%0.12616%0.164CC..SBendtrans60.7-143.3173.4-55.5166.8-165.300112.6Y485 Y547 Q551Y485-E532 HydrophobicContact CE1-CG 3.94Å; Y485-E532 WeakPolarHBondContact OH-CG 2.95Å; E532-Y547 HydrophobicContact CB-CD1 4.4Å; E532-Y547 HydrophobicContact CB-CE1 4.35Å; E532-Y547 HydrophobicContact CG-CE1 4.37Å; E532-Y547 WeakPolarHBondContact OE2-CD1 3.48Å; E532-Y547 WeakPolarHBondContact OE2-CE1 3.38Å; E532-Q551 VanDerWaalsContact CD-NE2 3.28Å; E532-Q551 PolarHBondContact OE1-NE2 3.39Å; E532-Q551 VanDerWaalsContact OE1-NE2 3.09Å; E532-Q551 PolarHBondContact OE2-NE2 3.03Å; E532-Q551 VanDerWaalsContact OE2-NE2 3.15Å
533W90.7Very high93.9Very high72 Ų7234.5 Ų34.527%0.27319%0.188SC..  trans-149.1169.317956.186000108.8A468 F477 Y547A468-W533 CarbonylContact O-C 3.56Å; F477-W533 HydrophobicContact CE1-CZ3 4.46Å; W533-Y547 HydrophobicContact CZ2-CE1 4.26Å; W533-Y547 HydrophobicContact CZ2-CE2 4.19Å; W533-Y547 AromaticContact CZ2-CZ 3.89Å
534L92.2Very high93.6Very high0 Ų036.5 Ų36.50%020%0.202CC..BIsolated β-bridgetrans-95.2124.3173.2-178.463.8000108.8I191 F234 A468 L469 V470 F523 F536 Y547I191-L534 HydrophobicContact CB-CD1 4.29Å; I191-L534 HydrophobicContact CD1-CD1 3.75Å; I191-L534 HydrophobicContact CD1-CD2 3.58Å; I191-L534 HydrophobicContact CD1-CG 4.34Å; I191-L534 HydrophobicContact CG2-CD1 4.09Å; F234-L534 HydrophobicContact CE1-CD2 3.98Å; F234-L534 HydrophobicContact CE2-CD2 4.16Å; F234-L534 HydrophobicContact CZ-CD2 3.48Å; F234-L534 VanDerWaalsContact CZ-CD2 3.48Å; A468-L534 WeakPolarHBondContact O-CA 3.48Å; A468-L534 VanDerWaalsContact O-CB 3.25Å; A468-L534 WeakPolarHBondContact O-CB 3.35Å; A468-L534 PolarHBondContact O-N 3.32Å; L469-L534 CarbonylContact C-O 3.59Å; L469-L534 WeakPolarHBondContact CA-O 3.41Å; L469-L534 HydrophobicContact CD2-CD2 4.16Å; L469-L534 HydrophobicContact CD2-CG 4.32Å; V470-L534 PolarHBondContact N-O 3.17Å; F523-L534 HydrophobicContact CE1-CD2 4.34Å; F523-L534 HydrophobicContact CZ-CD2 4.2Å; L534-F536 HydrophobicContact CD1-CE2 4.48Å; L534-F536 HydrophobicContact CD2-CE2 3.77Å; L534-F536 HydrophobicContact CD2-CZ 4.26Å; L534-F536 HydrophobicContact CG-CD2 4.45Å; L534-F536 HydrophobicContact CG-CE2 3.96Å; L534-Y547 WeakPolarHBondContact CD1-O 3.26Å
535D92.4Very high93.5Very high11 Ų1140.5 Ų40.56%0.05922%0.217CC..  trans-134.6130.8171.7-163.14000109.4V470 R538 N541 Y547 C548V470-D535 HydrophobicContact CB-CB 4.01Å; V470-D535 HydrophobicContact CG1-CB 4.22Å; V470-D535 WeakPolarHBondContact CG1-OD1 3.49Å; D535-R538 IonicContact OD1-CZ 2.54Å; D535-R538 IonicContact OD1-NE 2.78Å; D535-R538 PolarHBondContact OD1-NE 2.74Å; D535-R538 IonicContact OD1-NH2 2.82Å; D535-R538 PolarHBondContact OD1-NH2 2.87Å; D535-R538 IonicContact OD2-CZ 3.6Å; D535-R538 IonicContact OD2-NE 2.87Å; D535-R538 IonicContact OD2-NH2 3.45Å; D535-R538 PolarHBondContact OD2-NH2 3.2Å; D535-N541 PolarHBondContact OD1-ND2 3.43Å; D535-N541 PolarHBondContact OD2-ND2 3.18Å; D535-Y547 HydrophobicContact CB-CD2 4.44Å; D535-Y547 CarbonylContact O-C 3.43Å; D535-C548 WeakPolarHBondContact O-CB 3.12Å; D535-C548 PolarHBondContact O-N 3.31Å
536F93.1Very high93.3Very high5 Ų545.1 Ų45.12%0.02224%0.239CC..  trans-88.3154.1179.7-77-95000110.7I191 Y231 A232 F234 L469 L534 R538 N541I191-F536 HydrophobicContact CG2-CE1 3.92Å; I191-F536 HydrophobicContact CG2-CZ 3.91Å; Y231-F536 AromaticContact CD1-CD1 3.79Å; Y231-F536 HydrophobicContact CD1-CD1 3.79Å; Y231-F536 HydrophobicContact CD1-CE1 4.33Å; Y231-F536 HydrophobicContact CD2-CE1 4.44Å; Y231-F536 AromaticContact CE1-CD1 3.68Å; Y231-F536 HydrophobicContact CE1-CD1 3.68Å; Y231-F536 AromaticContact CE1-CE1 3.92Å; Y231-F536 HydrophobicContact CE1-CE1 3.92Å; Y231-F536 HydrophobicContact CE2-CD1 4.44Å; Y231-F536 HydrophobicContact CE2-CE1 4.05Å; Y231-F536 HydrophobicContact CG-CD1 4.21Å; Y231-F536 AromaticContact CZ-CE1 3.76Å; A232-F536 HydrophobicContact CB-CB 3.41Å; A232-F536 VanDerWaalsContact CB-CB 3.41Å; A232-F536 HydrophobicContact CB-CG 4.24Å; F234-F536 HydrophobicContact CB-CE2 4.42Å; F234-F536 HydrophobicContact CD1-CE2 4.17Å; F234-F536 HydrophobicContact CD2-CE1 4.28Å; F234-F536 AromaticContact CD2-CE2 3.66Å; F234-F536 HydrophobicContact CD2-CE2 3.66Å; F234-F536 AromaticContact CD2-CZ 3.28Å; F234-F536 HydrophobicContact CD2-CZ 3.28Å; F234-F536 HydrophobicContact CE1-CE2 4.26Å; F234-F536 AromaticContact CE2-CE2 3.79Å; F234-F536 HydrophobicContact CE2-CE2 3.79Å; F234-F536 AromaticContact CE2-CZ 3.42Å; F234-F536 HydrophobicContact CE2-CZ 3.42Å; F234-F536 VanDerWaalsContact CE2-CZ 3.42Å; F234-F536 AromaticContact CG-CE2 3.84Å; F234-F536 HydrophobicContact CG-CE2 3.84Å; F234-F536 AromaticContact CG-CZ 3.93Å; F234-F536 HydrophobicContact CG-CZ 3.93Å; F234-F536 HydrophobicContact CZ-CE2 4.09Å; F234-F536 HydrophobicContact CZ-CZ 4.15Å; L469-F536 HydrophobicContact CD2-CD2 4.2Å; L469-F536 HydrophobicContact CD2-CE2 4.08Å; L534-F536 HydrophobicContact CD1-CE2 4.48Å; L534-F536 HydrophobicContact CD2-CE2 3.77Å; L534-F536 HydrophobicContact CD2-CZ 4.26Å; L534-F536 HydrophobicContact CG-CD2 4.45Å; L534-F536 HydrophobicContact CG-CE2 3.96Å; F536-R538 PolarHBondContact O-N 3.39Å; F536-R538 VanDerWaalsContact O-N 3.14Å; F536-N541 PolarHBondContact O-ND2 3.27Å
537P92.1Very high93.1Very high16 Ų1648.5 Ų48.510%0.10425%0.252CS..SBendtrans-59.9119.317627.4-38000111Y231 S544 Y545Y231-P537 HydrophobicContact CD1-CG 3.8Å; Y231-P537 HydrophobicContact CE1-CG 4.38Å; P537-S544 WeakPolarHBondContact CA-O 3.08Å; P537-Y545 HydrophobicContact CB-CD2 4.13Å; P537-Y545 HydrophobicContact CB-CE2 3.83Å; P537-Y545 HydrophobicContact CG-CD1 4.28Å; P537-Y545 HydrophobicContact CG-CD2 4.36Å; P537-Y545 HydrophobicContact CG-CE1 3.8Å; P537-Y545 HydrophobicContact CG-CE2 3.89Å
538R91.4Very high92.9Very high81 Ų8148.3 Ų48.331%0.30625%0.251SS..  trans-149.7169.1179.160.9-170.8172.581.311.3110.6D535 F536 G540 N541 N542 S543D535-R538 IonicContact OD1-CZ 2.54Å; D535-R538 IonicContact OD1-NE 2.78Å; D535-R538 PolarHBondContact OD1-NE 2.74Å; D535-R538 IonicContact OD1-NH2 2.82Å; D535-R538 PolarHBondContact OD1-NH2 2.87Å; D535-R538 IonicContact OD2-CZ 3.6Å; D535-R538 IonicContact OD2-NE 2.87Å; D535-R538 IonicContact OD2-NH2 3.45Å; D535-R538 PolarHBondContact OD2-NH2 3.2Å; F536-R538 PolarHBondContact O-N 3.39Å; F536-R538 VanDerWaalsContact O-N 3.14Å; R538-G540 VanDerWaalsContact C-N 3.28Å; R538-G540 PolarHBondContact O-N 3.24Å; R538-N541 PolarHBondContact N-OD1 3.32Å; R538-N541 PolarHBondContact O-N 3.06Å; R538-N541 VanDerWaalsContact O-N 3.17Å; R538-N541 PolarHBondContact O-OD1 2.8Å; R538-N542 PolarHBondContact O-N 2.98Å; R538-S543 PolarHBondContact O-N 3.38Å
539E90.1Very high92.8Very high182 Ų18250 Ų5085%0.8526%0.259SS*.G310 helixtrans-54.3-45.2179.2-173.1-179.9177.500111.9N541 N542E539-N541 PolarHBondContact O-N 3.07Å; E539-N542 PolarHBondContact O-N 3.35Å; E539-N542 VanDerWaalsContact O-N 3.07Å
540G90.9Very high92.8Very high64 Ų6450.1 Ų50.166%0.6626%0.259SS*.G310 helixtrans-65.2-8.6-177.900000116.3R538R538-G540 VanDerWaalsContact C-N 3.28Å; R538-G540 PolarHBondContact O-N 3.24Å
541N92.6Very high92.8Very high26 Ų2651.2 Ų51.214%0.13926%0.264CS..G310 helixtrans-127.722.3172.868.817.6000113D535 F536 R538 E539 S543 S544D535-N541 PolarHBondContact OD1-ND2 3.43Å; D535-N541 PolarHBondContact OD2-ND2 3.18Å; F536-N541 PolarHBondContact O-ND2 3.27Å; R538-N541 PolarHBondContact N-OD1 3.32Å; R538-N541 PolarHBondContact O-N 3.06Å; R538-N541 VanDerWaalsContact O-N 3.17Å; R538-N541 PolarHBondContact O-OD1 2.8Å; E539-N541 PolarHBondContact O-N 3.07Å; N541-S543 VanDerWaalsContact C-N 3.3Å; N541-S543 PolarHBondContact O-N 2.94Å; N541-S543 PolarHBondContact OD1-N 3.22Å; N541-S544 WeakPolarHBondContact O-CB 3.23Å; N541-S544 PolarHBondContact O-N 3.36Å; N541-S544 PolarHBondContact OD1-N 2.84Å; N541-S544 VanDerWaalsContact OD1-N 3.14Å
542N93.4Very high93Very high154 Ų15451.7 Ų51.782%0.82427%0.266SS*.THydrogen-bonded Turntrans5738.1-178.2-57.8-53000113.6R538 E539 S544R538-N542 PolarHBondContact O-N 2.98Å; E539-N542 PolarHBondContact O-N 3.35Å; E539-N542 VanDerWaalsContact O-N 3.07Å; N542-S544 PolarHBondContact O-N 3.28Å
543S90.2Very high93.4Very high75 Ų7554.4 Ų54.452%0.52428%0.281SS..THydrogen-bonded Turntrans54.936.5-176.8-56.60000113.2R538 N541R538-S543 PolarHBondContact O-N 3.38Å; N541-S543 VanDerWaalsContact C-N 3.3Å; N541-S543 PolarHBondContact O-N 2.94Å; N541-S543 PolarHBondContact OD1-N 3.22Å
544S93.6Very high93.7Very high42 Ų4251.9 Ų51.929%0.29427%0.273SS..  trans-74.9135.2-177.3-178.80000111.7P537 N541 N542 H546P537-S544 WeakPolarHBondContact CA-O 3.08Å; N541-S544 WeakPolarHBondContact O-CB 3.23Å; N541-S544 PolarHBondContact O-N 3.36Å; N541-S544 PolarHBondContact OD1-N 2.84Å; N541-S544 VanDerWaalsContact OD1-N 3.14Å; N542-S544 PolarHBondContact O-N 3.28Å; S544-H546 VanDerWaalsContact OG-CB 3.24Å; S544-H546 WeakPolarHBondContact OG-CB 3.47Å; S544-H546 PolarHBondContact OG-N 3.12Å; S544-H546 VanDerWaalsContact OG-N 3.08Å
545Y94.1Very high93.9Very high84 Ų8452.2 Ų52.233%0.32928%0.275SS..  trans-95.97168.9-73.6-99000112.4G196 V198 Y231 P537 Y547 C548G196-Y545 VanDerWaalsContact C-CB 3.48Å; G196-Y545 WeakPolarHBondContact CA-O 3.24Å; G196-Y545 WeakPolarHBondContact O-CB 3.45Å; V198-Y545 HydrophobicContact CG2-CE1 3.73Å; Y231-Y545 HydrophobicContact CD1-CE1 4.33Å; Y231-Y545 AromaticContact CE1-CE1 3.99Å; Y231-Y545 HydrophobicContact CE1-CE1 3.99Å; P537-Y545 HydrophobicContact CB-CD2 4.13Å; P537-Y545 HydrophobicContact CB-CE2 3.83Å; P537-Y545 HydrophobicContact CG-CD1 4.28Å; P537-Y545 HydrophobicContact CG-CD2 4.36Å; P537-Y545 HydrophobicContact CG-CE1 3.8Å; P537-Y545 HydrophobicContact CG-CE2 3.89Å; Y545-Y547 VanDerWaalsContact C-N 3.33Å; Y545-Y547 PolarHBondContact O-N 2.83Å; Y545-C548 HydrophobicContact CD1-CB 4.27Å; Y545-C548 PolarHBondContact O-N 3.16Å; Y545-C548 VanDerWaalsContact O-N 3.13Å
546H93.8Very high94.2Very high98 Ų9855.6 Ų55.645%0.45429%0.293SS..SBendtrans-59.4-41.6-172-175.181.8000113.3S544 K549S544-H546 VanDerWaalsContact OG-CB 3.24Å; S544-H546 WeakPolarHBondContact OG-CB 3.47Å; S544-H546 PolarHBondContact OG-N 3.12Å; S544-H546 VanDerWaalsContact OG-N 3.08Å; H546-K549 WeakPolarHBondContact O-CD 2.95Å; H546-K549 WeakPolarHBondContact O-CE 3.14Å; H546-K549 WeakPolarHBondContact O-CG 3.35Å; H546-K549 PolarHBondContact O-NZ 3.38Å
547Y92.8Very high94.3Very high71 Ų7158.7 Ų58.728%0.27831%0.31SS..SBendtrans-96.3-3.1177.9-63.2-69.2000112.9E532 W533 L534 D535 Y545 K549E532-Y547 HydrophobicContact CB-CD1 4.4Å; E532-Y547 HydrophobicContact CB-CE1 4.35Å; E532-Y547 HydrophobicContact CG-CE1 4.37Å; E532-Y547 WeakPolarHBondContact OE2-CD1 3.48Å; E532-Y547 WeakPolarHBondContact OE2-CE1 3.38Å; W533-Y547 HydrophobicContact CZ2-CE1 4.26Å; W533-Y547 HydrophobicContact CZ2-CE2 4.19Å; W533-Y547 AromaticContact CZ2-CZ 3.89Å; L534-Y547 WeakPolarHBondContact CD1-O 3.26Å; D535-Y547 HydrophobicContact CB-CD2 4.44Å; D535-Y547 CarbonylContact O-C 3.43Å; Y545-Y547 VanDerWaalsContact C-N 3.33Å; Y545-Y547 PolarHBondContact O-N 2.83Å; Y547-K549 PolarHBondContact O-N 2.78Å
548C93.3Very high94.6Very high0 Ų063.7 Ų63.70%033%0.332CS..SBendtrans-86.552.1-178.3-161.80000110.6I191 D535 Y545I191-C548 VanDerWaalsContact CG2-SG 3.59Å; D535-C548 WeakPolarHBondContact O-CB 3.12Å; D535-C548 PolarHBondContact O-N 3.31Å; Y545-C548 HydrophobicContact CD1-CB 4.27Å; Y545-C548 PolarHBondContact O-N 3.16Å; Y545-C548 VanDerWaalsContact O-N 3.13Å
549K95.8Very high94.8Very high35 Ų3564 Ų6415%0.15234%0.339CS..SBendtrans-155.8174.7-16970.6-177.5-173.8-168.10112.9I191 S193 H546 Y547I191-K549 CarbonylContact O-C 3.37Å; I191-K549 VanDerWaalsContact O-C 3.25Å; I191-K549 WeakPolarHBondContact O-CA 3.32Å; S193-K549 WeakPolarHBondContact O-CB 3.4Å; H546-K549 WeakPolarHBondContact O-CD 2.95Å; H546-K549 WeakPolarHBondContact O-CE 3.14Å; H546-K549 WeakPolarHBondContact O-CG 3.35Å; H546-K549 PolarHBondContact O-NZ 3.38Å; Y547-K549 PolarHBondContact O-N 2.78Å
550R97.2Very high95.2Very high3 Ų356.9 Ų56.91%0.01131%0.307CS..  trans-129.5119.3172.6-71.2-66.4177.9-126.924.1112I191 S193 S194 I524 W552I191-R550 WeakPolarHBondContact O-CG 3.48Å; I191-R550 PolarHBondContact O-N 3.38Å; I191-R550 VanDerWaalsContact O-N 3.15Å; S193-R550 CarbonylContact C-O 3.57Å; S193-R550 PolarHBondContact O-N 3.11Å; S194-R550 WeakPolarHBondContact CA-O 3.17Å; S194-R550 PolarHBondContact N-O 2.82Å; S194-R550 PolarHBondContact OG-O 3.45Å; S194-R550 VanDerWaalsContact OG-O 3.11Å; I524-R550 HydrophobicContact CD1-CG 4.44Å; I524-R550 HydrophobicContact CG1-CG 4.2Å; I524-R550 VanDerWaalsContact O-CZ 3.26Å; I524-R550 PolarHBondContact O-NE 3.09Å; I524-R550 PolarHBondContact O-NH2 3.3Å; R550-W552 HydrophobicContact CB-CZ2 4Å; R550-W552 VanDerWaalsContact O-CD1 3.31Å; R550-W552 PolarHBondContact O-N 3.13Å
551Q97Very high95.6Very high28 Ų2854.7 Ų54.713%0.13128%0.278CS..  trans-82.471.3-170.9-56.5-171.252.500112.3H530 E532 N553 L554H530-Q551 PolarHBondContact NE2-N 3.49Å; E532-Q551 VanDerWaalsContact CD-NE2 3.28Å; E532-Q551 PolarHBondContact OE1-NE2 3.39Å; E532-Q551 VanDerWaalsContact OE1-NE2 3.09Å; E532-Q551 PolarHBondContact OE2-NE2 3.03Å; E532-Q551 VanDerWaalsContact OE2-NE2 3.15Å; Q551-N553 PolarHBondContact O-N 3.39Å; Q551-N553 VanDerWaalsContact O-N 3.14Å; Q551-L554 HydrophobicContact CB-CD1 3.62Å; Q551-L554 HydrophobicContact CB-CG 3.78Å; Q551-L554 HydrophobicContact CG-CD1 4.41Å; Q551-L554 WeakPolarHBondContact O-CB 3.32Å; Q551-L554 WeakPolarHBondContact O-CG 3.36Å; Q551-L554 PolarHBondContact O-N 3.39Å
552W97.5Very high95.9Very high11 Ų1153.8 Ų53.84%0.04227%0.273CS..THydrogen-bonded Turntrans-61.1-23.9-177.8-60.2109.9000114.4S192 S194 I208 I524 F528 R550 L554 V555 D556S192-W552 PolarHBondContact O-NE1 3.49Å; S194-W552 PolarHBondContact OG-N 3.22Å; I208-W552 HydrophobicContact CD1-CZ2 3.7Å; I524-W552 HydrophobicContact CD1-CH2 4.35Å; I524-W552 HydrophobicContact CD1-CZ2 3.94Å; I524-W552 HydrophobicContact CG1-CH2 3.9Å; I524-W552 HydrophobicContact CG1-CZ2 3.91Å; F528-W552 HydrophobicContact CD1-CZ3 4.4Å; F528-W552 AromaticContact CE1-CE3 3.92Å; F528-W552 HydrophobicContact CE1-CE3 3.92Å; F528-W552 HydrophobicContact CE1-CH2 4.36Å; F528-W552 AromaticContact CE1-CZ3 3.59Å; F528-W552 HydrophobicContact CE1-CZ3 3.59Å; F528-W552 HydrophobicContact CZ-CE3 4.39Å; F528-W552 HydrophobicContact CZ-CZ3 4.41Å; R550-W552 HydrophobicContact CB-CZ2 4Å; R550-W552 VanDerWaalsContact O-CD1 3.31Å; R550-W552 PolarHBondContact O-N 3.13Å; W552-L554 PolarHBondContact O-N 3.32Å; W552-L554 VanDerWaalsContact O-N 3.17Å; W552-V555 HydrophobicContact CE3-CG1 4.08Å; W552-V555 VanDerWaalsContact O-CG1 3.28Å; W552-V555 WeakPolarHBondContact O-CG1 3.31Å; W552-V555 PolarHBondContact O-N 3.19Å; W552-D556 WeakPolarHBondContact O-CB 3.48Å; W552-D556 VanDerWaalsContact O-CG 3.26Å; W552-D556 PolarHBondContact O-N 3.32Å
553N96.5Very high96.1Very high85 Ų8548.4 Ų48.446%0.45524%0.243SC..Hα-helixtrans-57.5-28.1173.558.8-74000112.5Q551 D557Q551-N553 PolarHBondContact O-N 3.39Å; Q551-N553 VanDerWaalsContact O-N 3.14Å; N553-D557 VanDerWaalsContact O-CB 3.32Å; N553-D557 WeakPolarHBondContact O-CB 3.34Å; N553-D557 PolarHBondContact O-N 3.4Å
554L97.5Very high96.5Very high18 Ų1846.5 Ų46.59%0.09423%0.225CC..Hα-helixtrans-68.2-39.4-179.4-62.7-179.8000112.6P531 Q551 W552 L560 Y562P531-L554 VanDerWaalsContact CD-CD1 3.4Å; P531-L554 HydrophobicContact CG-CD1 3.49Å; P531-L554 VanDerWaalsContact CG-CD1 3.49Å; Q551-L554 HydrophobicContact CB-CD1 3.62Å; Q551-L554 HydrophobicContact CB-CG 3.78Å; Q551-L554 HydrophobicContact CG-CD1 4.41Å; Q551-L554 WeakPolarHBondContact O-CB 3.32Å; Q551-L554 WeakPolarHBondContact O-CG 3.36Å; Q551-L554 PolarHBondContact O-N 3.39Å; W552-L554 PolarHBondContact O-N 3.32Å; W552-L554 VanDerWaalsContact O-N 3.17Å; L554-L560 HydrophobicContact CD2-CD1 3.95Å; L554-Y562 HydrophobicContact CB-CD2 3.68Å; L554-Y562 HydrophobicContact CB-CE2 3.9Å; L554-Y562 HydrophobicContact CB-CG 4.07Å; L554-Y562 HydrophobicContact CD1-CE1 4.38Å; L554-Y562 HydrophobicContact CD1-CE2 4.2Å; L554-Y562 HydrophobicContact CD2-CE2 3.99Å; L554-Y562 HydrophobicContact CG-CE2 4.26Å; L554-Y562 WeakPolarHBondContact O-CD2 3.3Å
555V97.3Very high96.7Very high8 Ų844.5 Ų44.55%0.04821%0.211CC..Hα-helixtrans-87.6-28.6-178.665.40000112.4F528 W552 N566F528-V555 HydrophobicContact CB-CB 4.27Å; F528-V555 HydrophobicContact CB-CG2 3.96Å; F528-V555 HydrophobicContact CD1-CB 4.22Å; F528-V555 HydrophobicContact CD1-CG1 4.26Å; F528-V555 HydrophobicContact CD1-CG2 4.4Å; F528-V555 HydrophobicContact CD2-CB 4.14Å; F528-V555 HydrophobicContact CE1-CG1 4.23Å; F528-V555 HydrophobicContact CE2-CB 4.48Å; F528-V555 HydrophobicContact CG-CB 3.98Å; F528-V555 HydrophobicContact CG-CG2 4.16Å; F528-V555 HydrophobicContact CZ-CG1 4.44Å; W552-V555 HydrophobicContact CE3-CG1 4.08Å; W552-V555 VanDerWaalsContact O-CG1 3.28Å; W552-V555 WeakPolarHBondContact O-CG1 3.31Å; W552-V555 PolarHBondContact O-N 3.19Å; V555-N566 HydrophobicContact CG2-CB 3.44Å; V555-N566 VanDerWaalsContact CG2-CB 3.44Å; V555-N566 WeakPolarHBondContact CG2-OD1 3.2Å
556D97.1Very high96.9Very high81 Ų8141.2 Ų41.243%0.43320%0.199SC..Hα-helixtrans-75.9-25.7178.6-66.9-21000112.2R211 W552 Q558R211-D556 IonicContact CZ-OD1 2.78Å; R211-D556 IonicContact CZ-OD2 2.65Å; R211-D556 IonicContact NH1-OD1 3.27Å; R211-D556 PolarHBondContact NH1-OD1 2.94Å; R211-D556 IonicContact NH1-OD2 3.7Å; R211-D556 PolarHBondContact NH1-OD2 3.16Å; R211-D556 IonicContact NH2-OD1 2.71Å; R211-D556 IonicContact NH2-OD2 3.02Å; R211-D556 PolarHBondContact NH2-OD2 2.97Å; W552-D556 WeakPolarHBondContact O-CB 3.48Å; W552-D556 VanDerWaalsContact O-CG 3.26Å; W552-D556 PolarHBondContact O-N 3.32Å; D556-Q558 PolarHBondContact O-N 3.23Å
557D97.3Very high97.1Very high71 Ų7138.9 Ų38.938%0.3819%0.188SC..  trans-76118.5179.3-167.3-21.8000112.6N553 L559 L560N553-D557 VanDerWaalsContact O-CB 3.32Å; N553-D557 WeakPolarHBondContact O-CB 3.34Å; N553-D557 PolarHBondContact O-N 3.4Å; D557-L559 PolarHBondContact O-N 3.42Å; D557-L559 WeakPolarHBondContact OD1-CB 3.43Å; D557-L559 PolarHBondContact OD1-N 3.13Å; D557-L560 HydrophobicContact CB-CD1 4Å; D557-L560 HydrophobicContact CB-CG 4.09Å; D557-L560 PolarHBondContact O-N 2.91Å
558Q96.6Very high97.4Very high120 Ų12035.5 Ų35.556%0.56118%0.175SC*.THydrogen-bonded Turntrans-70.2-13.2179.9-63.3-55.6-51.800114.1D556 L560 K563D556-Q558 PolarHBondContact O-N 3.23Å; Q558-L560 VanDerWaalsContact C-N 3.32Å; Q558-K563 PolarHBondContact O-NZ 3.16Å
559L97.4Very high97.7Very high88 Ų8835.5 Ų35.546%0.46118%0.175SC..THydrogen-bonded Turntrans-88.60.4175.5-60.6178.9000112.9S489 T490 D557S489-L559 CarbonylContact C-O 3.51Å; S489-L559 VanDerWaalsContact CA-O 3.32Å; S489-L559 WeakPolarHBondContact CA-O 3.33Å; S489-L559 PolarHBondContact OG-O 3.23Å; T490-L559 PolarHBondContact N-O 2.89Å; T490-L559 PolarHBondContact OG1-O 3.28Å; D557-L559 PolarHBondContact O-N 3.42Å; D557-L559 WeakPolarHBondContact OD1-CB 3.43Å; D557-L559 PolarHBondContact OD1-N 3.13Å
560L98.2Very high97.8Very high32 Ų3236.7 Ų36.717%0.16818%0.178CC..BIsolated β-bridgetrans-111.4154.2178.2-59.1179.2000112.1M488 L554 D557 Q558 Y562 K563M488-L560 CarbonylContact O-C 3.5Å; M488-L560 WeakPolarHBondContact O-CA 3.39Å; L554-L560 HydrophobicContact CD2-CD1 3.95Å; D557-L560 HydrophobicContact CB-CD1 4Å; D557-L560 HydrophobicContact CB-CG 4.09Å; D557-L560 PolarHBondContact O-N 2.91Å; Q558-L560 VanDerWaalsContact C-N 3.32Å; L560-Y562 HydrophobicContact CB-CD2 3.86Å; L560-Y562 HydrophobicContact CB-CE2 4.42Å; L560-Y562 HydrophobicContact CD1-CD2 4.15Å; L560-Y562 HydrophobicContact CD1-CE2 4.24Å; L560-K563 WeakPolarHBondContact O-CD 3.33Å; L560-K563 WeakPolarHBondContact O-CG 2.78Å
561R98.4Very high97.9Very high18 Ų1837.2 Ų37.27%0.06818%0.183CC..THydrogen-bonded Turntrans-82.1-11.5-176.3-68.7-178.2171.7103.211.6113.6F487 M488 S489 T490 S492 I502 K563 F564F487-R561 PolarHBondContact O-NH1 2.74Å; M488-R561 HydrophobicContact CE-CB 3.72Å; M488-R561 WeakPolarHBondContact O-CB 3.27Å; M488-R561 WeakPolarHBondContact O-CG 3.34Å; M488-R561 PolarHBondContact O-N 2.65Å; M488-R561 HydrophobicContact SD-CB 3.95Å; S489-R561 PolarHBondContact O-NH1 2.82Å; S489-R561 PolarHBondContact O-NH2 3.17Å; T490-R561 HydrophobicContact CG2-CG 4.04Å; S492-R561 PolarHBondContact O-NH2 3.47Å; S492-R561 PolarHBondContact OG-NH1 3Å; I502-R561 HydrophobicContact CD1-CB 4Å; I502-R561 HydrophobicContact CD1-CG 4.46Å; R561-K563 PolarHBondContact O-N 2.85Å; R561-F564 HydrophobicContact CB-CD2 3.88Å; R561-F564 HydrophobicContact CB-CE2 4.17Å; R561-F564 HydrophobicContact CG-CD2 4.07Å; R561-F564 HydrophobicContact CG-CE2 3.85Å; R561-F564 VanDerWaalsContact O-CB 3.29Å; R561-F564 WeakPolarHBondContact O-CB 3.42Å; R561-F564 WeakPolarHBondContact O-CD2 3.36Å; R561-F564 PolarHBondContact O-N 3.28Å
562Y98.3Very high97.9Very high7 Ų735.9 Ų35.93%0.02718%0.177CC..Hα-helixtrans-58.4-32.4178.1-60.8-81.9000112.7M484 M488 F528 G529 P531 L554 L560 F564 L565 N566M484-Y562 HydrophobicContact CE-CE1 3.89Å; M488-Y562 HydrophobicContact CB-CE2 3.8Å; M488-Y562 HydrophobicContact CE-CD1 3.52Å; M488-Y562 HydrophobicContact CE-CD2 3.86Å; M488-Y562 HydrophobicContact CE-CE1 3.58Å; M488-Y562 HydrophobicContact CE-CE2 3.9Å; M488-Y562 HydrophobicContact CE-CG 3.67Å; M488-Y562 HydrophobicContact CG-CE1 4.48Å; M488-Y562 HydrophobicContact CG-CE2 4.12Å; F528-Y562 HydrophobicContact CD2-CD1 4.14Å; F528-Y562 HydrophobicContact CD2-CG 4.49Å; F528-Y562 WeakPolarHBondContact O-CD1 3.48Å; G529-Y562 WeakPolarHBondContact O-CE1 3.33Å; P531-Y562 HydrophobicContact CG-CE1 4.46Å; L554-Y562 HydrophobicContact CB-CD2 3.68Å; L554-Y562 HydrophobicContact CB-CE2 3.9Å; L554-Y562 HydrophobicContact CB-CG 4.07Å; L554-Y562 HydrophobicContact CD1-CE1 4.38Å; L554-Y562 HydrophobicContact CD1-CE2 4.2Å; L554-Y562 HydrophobicContact CD2-CE2 3.99Å; L554-Y562 HydrophobicContact CG-CE2 4.26Å; L554-Y562 WeakPolarHBondContact O-CD2 3.3Å; L560-Y562 HydrophobicContact CB-CD2 3.86Å; L560-Y562 HydrophobicContact CB-CE2 4.42Å; L560-Y562 HydrophobicContact CD1-CD2 4.15Å; L560-Y562 HydrophobicContact CD1-CE2 4.24Å; Y562-F564 PolarHBondContact O-N 3.35Å; Y562-F564 VanDerWaalsContact O-N 3.17Å; Y562-L565 PolarHBondContact O-N 3.39Å; Y562-N566 PolarHBondContact O-N 3.4Å; Y562-N566 VanDerWaalsContact O-N 3.09Å
563K98Very high98Very high42 Ų4235.3 Ų35.318%0.18318%0.175CC..Hα-helixtrans-54.8-32.8174.873.5-171.2-176.61730112.9Q558 L560 R561 N566 E567Q558-K563 PolarHBondContact O-NZ 3.16Å; L560-K563 WeakPolarHBondContact O-CD 3.33Å; L560-K563 WeakPolarHBondContact O-CG 2.78Å; R561-K563 PolarHBondContact O-N 2.85Å; K563-N566 WeakPolarHBondContact O-CB 3.43Å; K563-N566 PolarHBondContact O-N 2.98Å; K563-E567 WeakPolarHBondContact O-CB 3.45Å; K563-E567 WeakPolarHBondContact O-CG 3.41Å; K563-E567 PolarHBondContact O-N 3.01Å
564F98.4Very high98Very high35 Ų3535.7 Ų35.715%0.15417%0.174CC..Hα-helixtrans-66.9-42.3-179.9-63-38.2000112.5T490 R561 Y562 W568 E641T490-F564 HydrophobicContact CG2-CE2 4.34Å; T490-F564 HydrophobicContact CG2-CZ 4.34Å; R561-F564 HydrophobicContact CB-CD2 3.88Å; R561-F564 HydrophobicContact CB-CE2 4.17Å; R561-F564 HydrophobicContact CG-CD2 4.07Å; R561-F564 HydrophobicContact CG-CE2 3.85Å; R561-F564 VanDerWaalsContact O-CB 3.29Å; R561-F564 WeakPolarHBondContact O-CB 3.42Å; R561-F564 WeakPolarHBondContact O-CD2 3.36Å; R561-F564 PolarHBondContact O-N 3.28Å; Y562-F564 PolarHBondContact O-N 3.35Å; Y562-F564 VanDerWaalsContact O-N 3.17Å; F564-W568 WeakPolarHBondContact O-CB 3.23Å; F564-W568 PolarHBondContact O-N 2.62Å; F564-W568 VanDerWaalsContact O-N 3.1Å; F564-E641 WeakPolarHBondContact CD1-O 3.3Å
565L98.5Very high98.1Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-68.8-38.8175.9-62-178.1000111.3I502 H505 K506 E527 Y562 W568 D569I502-L565 HydrophobicContact CB-CD2 4.45Å; I502-L565 HydrophobicContact CG2-CD2 3.97Å; H505-L565 HydrophobicContact CB-CD2 4.14Å; K506-L565 HydrophobicContact CD-CD2 4.41Å; K506-L565 HydrophobicContact CG-CD2 3.76Å; E527-L565 CarbonylContact O-C 3.56Å; E527-L565 VanDerWaalsContact O-O 3.13Å; Y562-L565 PolarHBondContact O-N 3.39Å; L565-W568 PolarHBondContact O-N 3.38Å; L565-D569 PolarHBondContact O-N 2.88Å
566N98.4Very high98.1Very high15 Ų1534.9 Ų34.98%0.0817%0.171CC..Hα-helixtrans-64-44.6177-173.378.9000112.7Q215 F528 V555 Y562 K563 W568 D569 R570Q215-N566 PolarHBondContact NE2-ND2 3.43Å; Q215-N566 PolarHBondContact NE2-OD1 3.43Å; Q215-N566 PolarHBondContact OE1-O 3.42Å; F528-N566 HydrophobicContact CB-CB 3.82Å; V555-N566 HydrophobicContact CG2-CB 3.44Å; V555-N566 VanDerWaalsContact CG2-CB 3.44Å; V555-N566 WeakPolarHBondContact CG2-OD1 3.2Å; Y562-N566 PolarHBondContact O-N 3.4Å; Y562-N566 VanDerWaalsContact O-N 3.09Å; K563-N566 WeakPolarHBondContact O-CB 3.43Å; K563-N566 PolarHBondContact O-N 2.98Å; N566-W568 VanDerWaalsContact C-N 3.34Å; N566-D569 PolarHBondContact O-N 2.87Å; N566-R570 PolarHBondContact O-N 3.03Å
567E98.4Very high98.1Very high49 Ų4935.5 Ų35.523%0.22917%0.171CC..Hα-helixtrans-69.5-33.6177-66.6-67.5123.500111.4K563 D569 R570 A571 F642K563-E567 WeakPolarHBondContact O-CB 3.45Å; K563-E567 WeakPolarHBondContact O-CG 3.41Å; K563-E567 PolarHBondContact O-N 3.01Å; E567-D569 VanDerWaalsContact C-N 3.34Å; E567-R570 VanDerWaalsContact CD-NH1 3.29Å; E567-R570 PolarHBondContact O-N 3.42Å; E567-R570 IonicContact OE1-CZ 3.68Å; E567-R570 IonicContact OE1-NH1 3.86Å; E567-R570 PolarHBondContact OE1-NH1 2.89Å; E567-R570 IonicContact OE2-CZ 3.8Å; E567-R570 IonicContact OE2-NH1 3.07Å; E567-R570 PolarHBondContact OE2-NH1 2.74Å; E567-R570 IonicContact OE2-NH2 2.74Å; E567-R570 PolarHBondContact OE2-NH2 3.27Å; E567-A571 WeakPolarHBondContact O-CB 3.43Å; E567-A571 PolarHBondContact O-N 3.08Å; E567-F642 HydrophobicContact CB-CD1 4.13Å; E567-F642 HydrophobicContact CB-CE1 4.12Å; E567-F642 WeakPolarHBondContact O-CE1 3.31Å
568W98.5Very high98.1Very high0 Ų036.4 Ų36.40%018%0.179CC..Hα-helixtrans-63.7-38.2172.4177.1-109.4000112.5K506 R509 L510 F564 L565 N566 A571 M572 L635 F642K506-W568 HydrophobicContact CB-CD2 4.23Å; K506-W568 HydrophobicContact CB-CG 4.03Å; K506-W568 HydrophobicContact CB-CZ2 4.49Å; K506-W568 HydrophobicContact CD-CB 4.01Å; K506-W568 HydrophobicContact CD-CD2 4.11Å; K506-W568 HydrophobicContact CD-CG 3.8Å; K506-W568 HydrophobicContact CG-CB 4.06Å; K506-W568 VanDerWaalsContact CG-CD1 3.42Å; K506-W568 HydrophobicContact CG-CD2 4.18Å; K506-W568 HydrophobicContact CG-CG 3.61Å; K506-W568 PolarHBondContact O-NE1 2.99Å; K506-W568 VanDerWaalsContact O-NE1 3.07Å; R509-W568 VanDerWaalsContact NH2-CD1 3.31Å; L510-W568 HydrophobicContact CB-CZ2 3.99Å; L510-W568 HydrophobicContact CD2-CH2 4.16Å; L510-W568 HydrophobicContact CD2-CZ2 3.81Å; L510-W568 HydrophobicContact CG-CZ2 4.3Å; F564-W568 WeakPolarHBondContact O-CB 3.23Å; F564-W568 PolarHBondContact O-N 2.62Å; F564-W568 VanDerWaalsContact O-N 3.1Å; L565-W568 PolarHBondContact O-N 3.38Å; N566-W568 VanDerWaalsContact C-N 3.34Å; W568-A571 PolarHBondContact O-N 3.39Å; W568-M572 WeakPolarHBondContact O-CB 3.45Å; W568-M572 PolarHBondContact O-N 3.3Å; W568-L635 HydrophobicContact CH2-CB 4.37Å; W568-L635 HydrophobicContact CZ3-CB 4.5Å; W568-F642 HydrophobicContact CB-CB 4.43Å; W568-F642 HydrophobicContact CB-CD1 3.86Å; W568-F642 HydrophobicContact CB-CE1 4.49Å; W568-F642 HydrophobicContact CB-CG 4.27Å; W568-F642 HydrophobicContact CE3-CB 4.39Å; W568-F642 HydrophobicContact CE3-CD1 4.15Å; W568-F642 AromaticContact CE3-CD2 3.7Å; W568-F642 HydrophobicContact CE3-CD2 3.7Å; W568-F642 HydrophobicContact CE3-CE1 4.37Å; W568-F642 AromaticContact CE3-CE2 3.94Å; W568-F642 HydrophobicContact CE3-CE2 3.94Å; W568-F642 AromaticContact CE3-CG 3.8Å; W568-F642 HydrophobicContact CE3-CG 3.8Å; W568-F642 HydrophobicContact CE3-CZ 4.27Å; W568-F642 HydrophobicContact CZ3-CD2 4.08Å; W568-F642 HydrophobicContact CZ3-CE2 4.18Å
569D98.7Very high98.1Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-61.9-47.7175.5-158.564.6000112.1Y217 R509 E527 L565 N566 E567 A571 M572 N573Y217-D569 WeakPolarHBondContact CE2-OD2 3.23Å; Y217-D569 VanDerWaalsContact CZ-OD2 3.28Å; Y217-D569 PolarHBondContact OH-OD1 3.4Å; Y217-D569 PolarHBondContact OH-OD2 3.45Å; R509-D569 IonicContact CZ-OD1 3.87Å; R509-D569 IonicContact NE-OD1 2.76Å; R509-D569 PolarHBondContact NE-OD1 3.29Å; R509-D569 IonicContact NH1-OD1 3.21Å; R509-D569 PolarHBondContact NH1-OD1 3.16Å; R509-D569 VanDerWaalsContact NH2-N 3.11Å; R509-D569 IonicContact NH2-OD1 2.77Å; R509-D569 PolarHBondContact NH2-OD1 3.35Å; E527-D569 HydrophobicContact CB-CB 4Å; E527-D569 WeakPolarHBondContact CB-OD2 3.24Å; L565-D569 PolarHBondContact O-N 2.88Å; N566-D569 PolarHBondContact O-N 2.87Å; E567-D569 VanDerWaalsContact C-N 3.34Å; D569-A571 PolarHBondContact O-N 3.36Å; D569-M572 PolarHBondContact O-N 3.02Å; D569-M572 WeakPolarHBondContact OD1-CE 3.37Å; D569-N573 PolarHBondContact O-N 3.17Å; D569-N573 VanDerWaalsContact O-N 3.09Å; D569-N573 PolarHBondContact O-ND2 2.82Å; D569-N573 PolarHBondContact OD2-ND2 3.21Å
570R98.6Very high98.1Very high59 Ų5930.1 Ų30.122%0.22315%0.146CC..Hα-helixtrans-56.1-51.3174.7-166.5179.473.3-133.4-8.2111.4K214 Q215 N566 E567 M572 N573 E574K214-R570 WeakPolarHBondContact O-CD 3.16Å; K214-R570 VanDerWaalsContact O-CG 3.31Å; K214-R570 WeakPolarHBondContact O-CG 3.15Å; Q215-R570 VanDerWaalsContact OE1-CB 3.31Å; Q215-R570 VanDerWaalsContact OE1-N 3.12Å; N566-R570 PolarHBondContact O-N 3.03Å; E567-R570 VanDerWaalsContact CD-NH1 3.29Å; E567-R570 PolarHBondContact O-N 3.42Å; E567-R570 IonicContact OE1-CZ 3.68Å; E567-R570 IonicContact OE1-NH1 3.86Å; E567-R570 PolarHBondContact OE1-NH1 2.89Å; E567-R570 IonicContact OE2-CZ 3.8Å; E567-R570 IonicContact OE2-NH1 3.07Å; E567-R570 PolarHBondContact OE2-NH1 2.74Å; E567-R570 IonicContact OE2-NH2 2.74Å; E567-R570 PolarHBondContact OE2-NH2 3.27Å; R570-M572 VanDerWaalsContact C-N 3.29Å; R570-M572 PolarHBondContact O-N 2.97Å; R570-N573 PolarHBondContact O-N 3.05Å; R570-E574 VanDerWaalsContact CD-OE1 3.29Å; R570-E574 WeakPolarHBondContact CD-OE1 3.37Å; R570-E574 HydrophobicContact CG-CG 4.14Å; R570-E574 WeakPolarHBondContact CG-OE1 3.27Å; R570-E574 IonicContact NE-OE1 3.46Å; R570-E574 PolarHBondContact NE-OE1 3.06Å; R570-E574 IonicContact NE-OE2 3.73Å; R570-E574 WeakPolarHBondContact O-CB 3.38Å; R570-E574 WeakPolarHBondContact O-CG 3.37Å; R570-E574 PolarHBondContact O-N 3.29Å
571A98.5Very high98Very high14 Ų1428.6 Ų28.612%0.11614%0.138CC..Hα-helixtrans-60.2-39.3-17800000112.3E567 W568 D569 A575 L635 F642E567-A571 WeakPolarHBondContact O-CB 3.43Å; E567-A571 PolarHBondContact O-N 3.08Å; W568-A571 PolarHBondContact O-N 3.39Å; D569-A571 PolarHBondContact O-N 3.36Å; A571-A575 WeakPolarHBondContact O-CB 3.29Å; A571-A575 PolarHBondContact O-N 3.14Å; A571-L635 HydrophobicContact CB-CD2 4.08Å; A571-F642 HydrophobicContact CB-CE1 3.88Å; A571-F642 HydrophobicContact CB-CZ 3.64Å
572M98.4Very high98Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-61.9-46.8175.7179.5179.568.500111.9L510 H513 W520 W568 D569 R570 E576 W581L510-M572 HydrophobicContact CB-SD 4.41Å; L510-M572 HydrophobicContact CD1-CG 3.82Å; L510-M572 HydrophobicContact CD1-SD 4.04Å; H513-M572 HydrophobicContact CB-CE 4.36Å; H513-M572 HydrophobicContact CB-CG 4.5Å; H513-M572 HydrophobicContact CB-SD 3.63Å; H513-M572 VanDerWaalsContact CD2-CE 3.41Å; H513-M572 WeakPolarHBondContact CD2-CE 3.44Å; W520-M572 HydrophobicContact CZ2-CE 4.11Å; W568-M572 WeakPolarHBondContact O-CB 3.45Å; W568-M572 PolarHBondContact O-N 3.3Å; D569-M572 PolarHBondContact O-N 3.02Å; D569-M572 WeakPolarHBondContact OD1-CE 3.37Å; R570-M572 VanDerWaalsContact C-N 3.29Å; R570-M572 PolarHBondContact O-N 2.97Å; M572-E576 PolarHBondContact O-N 2.56Å; M572-W581 WeakPolarHBondContact O-CH2 3.24Å
573N98.5Very high97.9Very high0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-70-41.2-180-70.2-38000112.4Q215 Y217 H513 D569 R570 A575 E576 E577Q215-N573 VanDerWaalsContact O-CB 3.29Å; Q215-N573 WeakPolarHBondContact O-CB 3.48Å; Q215-N573 PolarHBondContact O-ND2 2.87Å; Y217-N573 WeakPolarHBondContact CE2-ND2 3.24Å; H513-N573 PolarHBondContact NE2-OD1 2.89Å; D569-N573 PolarHBondContact O-N 3.17Å; D569-N573 VanDerWaalsContact O-N 3.09Å; D569-N573 PolarHBondContact O-ND2 2.82Å; D569-N573 PolarHBondContact OD2-ND2 3.21Å; R570-N573 PolarHBondContact O-N 3.05Å; N573-A575 VanDerWaalsContact C-N 3.33Å; N573-A575 PolarHBondContact O-N 3.33Å; N573-E576 PolarHBondContact O-N 2.91Å; N573-E577 PolarHBondContact O-N 3.14Å
574E98Very high97.7Very high92 Ų9229.7 Ų29.743%0.4316%0.155SC..Hα-helixtrans-62.8-40.2175.6-73.9174.6170.200111.7R570 E577 T578R570-E574 VanDerWaalsContact CD-OE1 3.29Å; R570-E574 WeakPolarHBondContact CD-OE1 3.37Å; R570-E574 HydrophobicContact CG-CG 4.14Å; R570-E574 WeakPolarHBondContact CG-OE1 3.27Å; R570-E574 IonicContact NE-OE1 3.46Å; R570-E574 PolarHBondContact NE-OE1 3.06Å; R570-E574 IonicContact NE-OE2 3.73Å; R570-E574 WeakPolarHBondContact O-CB 3.38Å; R570-E574 WeakPolarHBondContact O-CG 3.37Å; R570-E574 PolarHBondContact O-N 3.29Å; E574-E577 PolarHBondContact O-N 3.07Å; E574-T578 PolarHBondContact O-N 3.2Å; E574-T578 PolarHBondContact O-OG1 2.81Å
575A97.7Very high97.2Very high9 Ų929.3 Ų29.37%0.07416%0.161CC..Hα-helixtrans-66.2-37.9173.800000111.5A571 N573 T578 Y579 W581 L635A571-A575 WeakPolarHBondContact O-CB 3.29Å; A571-A575 PolarHBondContact O-N 3.14Å; N573-A575 VanDerWaalsContact C-N 3.33Å; N573-A575 PolarHBondContact O-N 3.33Å; A575-T578 PolarHBondContact O-N 3.15Å; A575-Y579 VanDerWaalsContact O-CD2 3.25Å; A575-Y579 WeakPolarHBondContact O-CD2 3.39Å; A575-Y579 PolarHBondContact O-N 2.81Å; A575-W581 VanDerWaalsContact C-CH2 3.48Å; A575-W581 HydrophobicContact CB-CH2 3.65Å; A575-W581 HydrophobicContact CB-CZ3 3.81Å; A575-W581 WeakPolarHBondContact O-CZ3 3.19Å; A575-L635 HydrophobicContact CB-CD1 3.73Å; A575-L635 HydrophobicContact CB-CD2 3.94Å; A575-L635 HydrophobicContact CB-CG 3.92Å
576E98.3Very high96.9Very high0 Ų033.3 Ų33.30%019%0.187CC..Hα-helixtrans-66.3-39.8175.1-160.4-82.8151.400111.8S181 R183 M572 N573 T578 Y579 H580 W581 L582S181-E576 PolarHBondContact OG-OE1 3.43Å; S181-E576 PolarHBondContact OG-OE2 3.47Å; R183-E576 WeakPolarHBondContact CD-OE2 3.48Å; R183-E576 IonicContact CZ-OE2 3.97Å; R183-E576 IonicContact NE-OE2 2.95Å; R183-E576 IonicContact NH1-OE2 3.73Å; R183-E576 PolarHBondContact NH1-OE2 2.65Å; M572-E576 PolarHBondContact O-N 2.56Å; N573-E576 PolarHBondContact O-N 2.91Å; E576-T578 PolarHBondContact O-N 2.91Å; E576-Y579 PolarHBondContact O-N 2.83Å; E576-H580 WeakPolarHBondContact O-CA 3.46Å; E576-H580 PolarHBondContact O-N 3.46Å; E576-W581 VanDerWaalsContact CA-CH2 3.49Å; E576-W581 HydrophobicContact CB-CD2 4.21Å; E576-W581 HydrophobicContact CB-CE3 4.46Å; E576-W581 HydrophobicContact CB-CH2 3.76Å; E576-W581 HydrophobicContact CB-CZ2 3.42Å; E576-W581 VanDerWaalsContact CB-CZ2 3.42Å; E576-W581 HydrophobicContact CB-CZ3 4.26Å; E576-W581 HydrophobicContact CG-CD2 3.83Å; E576-W581 VanDerWaalsContact CG-CE2 3.43Å; E576-W581 HydrophobicContact CG-CE3 4.45Å; E576-W581 HydrophobicContact CG-CG 4.18Å; E576-W581 HydrophobicContact CG-CH2 4.44Å; E576-W581 HydrophobicContact CG-CZ2 3.79Å; E576-L582 HydrophobicContact CG-CB 4.39Å; E576-L582 HydrophobicContact CG-CD1 3.76Å; E576-L582 HydrophobicContact CG-CG 3.81Å; E576-L582 WeakPolarHBondContact OE1-CB 3.22Å; E576-L582 PolarHBondContact OE1-N 2.65Å
577E97Very high96.8Very high95 Ų9533.6 Ų33.644%0.44419%0.192SC..Hα-helixtrans-62-31.1174.2-174.357.8-151.500111.9R183 N573 E574 H580R183-E577 IonicContact CZ-OE2 3.63Å; R183-E577 IonicContact NH1-OE2 3.3Å; R183-E577 PolarHBondContact NH1-OE2 3.15Å; R183-E577 IonicContact NH2-OE2 3.72Å; R183-E577 PolarHBondContact NH2-OE2 3.46Å; N573-E577 PolarHBondContact O-N 3.14Å; E574-E577 PolarHBondContact O-N 3.07Å; E577-H580 PolarHBondContact O-CE1 3.25Å; E577-H580 PolarHBondContact O-ND1 3.38Å; E577-H580 PolarHBondContact O-NE2 2.85Å
578T96.9Very high96.7Very high89 Ų8935.9 Ų35.955%0.54620%0.199SC..Hα-helixtrans-80.9-42179-55.90000112.6E574 A575 E576E574-T578 PolarHBondContact O-N 3.2Å; E574-T578 PolarHBondContact O-OG1 2.81Å; A575-T578 PolarHBondContact O-N 3.15Å; E576-T578 PolarHBondContact O-N 2.91Å
579Y97Very high96.7Very high27 Ų2737.3 Ų37.311%0.10621%0.207CC..Hα-helixtrans-108.8-10.4-169.5-62.8-79.3000114.8A575 E576 W581 L606 I634 A681 R685A575-Y579 VanDerWaalsContact O-CD2 3.25Å; A575-Y579 WeakPolarHBondContact O-CD2 3.39Å; A575-Y579 PolarHBondContact O-N 2.81Å; E576-Y579 PolarHBondContact O-N 2.83Å; Y579-W581 PolarHBondContact O-N 3.32Å; Y579-L606 HydrophobicContact CD1-CD2 3.83Å; Y579-L606 HydrophobicContact CE1-CD2 4.34Å; Y579-L606 HydrophobicContact CG-CD1 4.08Å; Y579-L606 HydrophobicContact CG-CD2 4.17Å; Y579-I634 HydrophobicContact CD1-CD1 4.44Å; Y579-I634 HydrophobicContact CD2-CD1 3.5Å; Y579-I634 VanDerWaalsContact CD2-CD1 3.5Å; Y579-I634 HydrophobicContact CE1-CD1 4.27Å; Y579-I634 HydrophobicContact CE2-CB 4.16Å; Y579-I634 HydrophobicContact CE2-CD1 3.32Å; Y579-I634 HydrophobicContact CE2-CG1 4.33Å; Y579-I634 HydrophobicContact CE2-CG2 4.26Å; Y579-I634 HydrophobicContact CG-CD1 4.1Å; Y579-I634 VanDerWaalsContact OH-CG2 3.3Å; Y579-I634 WeakPolarHBondContact OH-CG2 3.35Å; Y579-A681 HydrophobicContact CE1-CB 4.03Å; Y579-R685 HydrophobicContact CE1-CB 4.48Å
580H96.9Very high96.6Very high49 Ų4938 Ų3823%0.22721%0.212CC..  trans55.241.1171-54.1-59.4000115.7R180 E576 E577 L582 S583 S584R180-H580 PolarHBondContact NH1-CD2 3Å; R180-H580 VanDerWaalsContact NH1-CD2 3.25Å; E576-H580 WeakPolarHBondContact O-CA 3.46Å; E576-H580 PolarHBondContact O-N 3.46Å; E577-H580 PolarHBondContact O-CE1 3.25Å; E577-H580 PolarHBondContact O-ND1 3.38Å; E577-H580 PolarHBondContact O-NE2 2.85Å; H580-L582 PolarHBondContact O-N 2.82Å; H580-S583 PolarHBondContact O-N 2.95Å; H580-S583 PolarHBondContact O-OG 3.34Å; H580-S583 VanDerWaalsContact O-OG 3.14Å; H580-S584 PolarHBondContact O-OG 2.72Å
581W97.6Very high96.5Very high0 Ų037.7 Ų37.70%021%0.211CC..  trans-68.4-31-175.260.871.1000114.1H513 M572 A575 E576 Y579 S583 S584 R603 A604 L606 F608 L635H513-W581 AromaticContact CE1-CE2 3.82Å; H513-W581 AromaticContact CE1-CZ2 3.63Å; H513-W581 AromaticContact CE1-NE1 3.47Å; H513-W581 PolarHBondContact CE1-NE1 2.63Å; H513-W581 AromaticContact ND1-CE2 3.65Å; H513-W581 AromaticContact ND1-CZ2 3.58Å; H513-W581 AromaticContact ND1-NE1 3.13Å; H513-W581 PolarHBondContact ND1-NE1 3.05Å; H513-W581 VanDerWaalsContact ND1-NE1 3.13Å; M572-W581 WeakPolarHBondContact O-CH2 3.24Å; A575-W581 VanDerWaalsContact C-CH2 3.48Å; A575-W581 HydrophobicContact CB-CH2 3.65Å; A575-W581 HydrophobicContact CB-CZ3 3.81Å; A575-W581 WeakPolarHBondContact O-CZ3 3.19Å; E576-W581 VanDerWaalsContact CA-CH2 3.49Å; E576-W581 HydrophobicContact CB-CD2 4.21Å; E576-W581 HydrophobicContact CB-CE3 4.46Å; E576-W581 HydrophobicContact CB-CH2 3.76Å; E576-W581 HydrophobicContact CB-CZ2 3.42Å; E576-W581 VanDerWaalsContact CB-CZ2 3.42Å; E576-W581 HydrophobicContact CB-CZ3 4.26Å; E576-W581 HydrophobicContact CG-CD2 3.83Å; E576-W581 VanDerWaalsContact CG-CE2 3.43Å; E576-W581 HydrophobicContact CG-CE3 4.45Å; E576-W581 HydrophobicContact CG-CG 4.18Å; E576-W581 HydrophobicContact CG-CH2 4.44Å; E576-W581 HydrophobicContact CG-CZ2 3.79Å; Y579-W581 PolarHBondContact O-N 3.32Å; W581-S583 PolarHBondContact O-N 3.08Å; W581-S584 PolarHBondContact O-N 3.35Å; W581-R603 HydrophobicContact CB-CG 4.26Å; W581-R603 PolarHBondContact O-NE 2.8Å; W581-A604 HydrophobicContact CB-CB 3.94Å; W581-L606 HydrophobicContact CE3-CD1 3.67Å; W581-L606 HydrophobicContact CZ3-CD1 4.19Å; W581-F608 HydrophobicContact CB-CZ 4.48Å; W581-F608 HydrophobicContact CD2-CZ 4.02Å; W581-F608 HydrophobicContact CE3-CZ 4.08Å; W581-F608 HydrophobicContact CG-CZ 4.21Å; W581-L635 HydrophobicContact CH2-CD1 4.3Å
582L97.6Very high96.4Very high0 Ų042.1 Ų42.10%023%0.228CC..THydrogen-bonded Turntrans-62.6-33.4-179.2-71.6171.3000111.6R183 H513 E518 W520 E576 H580 R603R183-L582 HydrophobicContact CG-CD1 4.14Å; H513-L582 WeakPolarHBondContact O-CD2 3.45Å; E518-L582 VanDerWaalsContact CA-O 3.3Å; E518-L582 WeakPolarHBondContact CA-O 3.3Å; W520-L582 HydrophobicContact CB-CD1 4.13Å; E576-L582 HydrophobicContact CG-CB 4.39Å; E576-L582 HydrophobicContact CG-CD1 3.76Å; E576-L582 HydrophobicContact CG-CG 3.81Å; E576-L582 WeakPolarHBondContact OE1-CB 3.22Å; E576-L582 PolarHBondContact OE1-N 2.65Å; H580-L582 PolarHBondContact O-N 2.82Å; L582-R603 PolarHBondContact O-NH2 2.9Å
583S95.5Very high96.4Very high40 Ų4044.8 Ų44.828%0.2824%0.24SC..THydrogen-bonded Turntrans-92.92.9-17968.20000114.9R180 H580 W581R180-S583 WeakPolarHBondContact CD-OG 3.43Å; R180-S583 PolarHBondContact NE-OG 2.83Å; R180-S583 PolarHBondContact NH2-OG 3.27Å; H580-S583 PolarHBondContact O-N 2.95Å; H580-S583 PolarHBondContact O-OG 3.34Å; H580-S583 VanDerWaalsContact O-OG 3.14Å; W581-S583 PolarHBondContact O-N 3.08Å
584S93.9Very high96.3Very high51 Ų5148 Ų4836%0.35726%0.256SS..SBendtrans-94.19.9-172-66.30000114.6H580 W581 A604H580-S584 PolarHBondContact O-OG 2.72Å; W581-S584 PolarHBondContact O-N 3.35Å; S584-A604 VanDerWaalsContact CB-CB 3.48Å; S584-A604 VanDerWaalsContact OG-CB 3.25Å; S584-A604 WeakPolarHBondContact OG-CB 3.24Å
585G89.2Confident96.2Very high26 Ų2647.6 Ų47.627%0.26826%0.263SS..  trans84.8-172.4-175.200000113.4R603G585-R603 PolarHBondContact O-NE 2.91Å; G585-R603 PolarHBondContact O-NH2 3.13Å; G585-R603 VanDerWaalsContact O-NH2 3.12Å
586P92.5Very high96.2Very high85 Ų8549 Ų4955%0.55227%0.269SS*.  trans-66.8153.5-177.827.9-34.5000112.1Y454Y454-P586 HydrophobicContact CD2-CG 4.46Å; Y454-P586 HydrophobicContact CE2-CG 4.27Å
587A95.7Very high96.2Very high21 Ų2149.9 Ų49.917%0.17427%0.273CS..  trans-75.4162172.900000111.4L515 F601 E602 R603L515-A587 HydrophobicContact CD1-CB 3.5Å; A587-F601 HydrophobicContact CB-CB 4.47Å; A587-F601 HydrophobicContact CB-CD2 3.86Å; A587-F601 HydrophobicContact CB-CG 4.47Å; A587-E602 CarbonylContact C-O 3.49Å; A587-E602 VanDerWaalsContact CA-O 3.29Å; A587-E602 WeakPolarHBondContact CA-O 3.47Å; A587-R603 HydrophobicContact CB-CB 3.94Å; A587-R603 HydrophobicContact CB-CG 4.18Å
588Y96.9Very high96.3Very high96 Ų9645.3 Ų45.338%0.37625%0.251SS..EExtended strand (participates in β ladder)trans-105.9105.5164.4-172.5-78.8000109S590 F601 E602 N663Y588-S590 PolarHBondContact O-N 2.7Å; Y588-F601 CarbonylContact O-C 3.59Å; Y588-F601 VanDerWaalsContact O-CA 3.24Å; Y588-F601 WeakPolarHBondContact O-CA 3.13Å; Y588-F601 WeakPolarHBondContact O-CB 3.36Å; Y588-E602 PolarHBondContact N-O 3.14Å; Y588-E602 PolarHBondContact O-N 2.66Å; Y588-N663 WeakPolarHBondContact OH-CB 3.19Å
589T97.4Very high96.3Very high30 Ų3041.1 Ų41.118%0.18423%0.225CC..EExtended strand (participates in β ladder)trans-81.6101.2176.4-63.90000111.8V446 E450 K592 F601V446-T589 HydrophobicContact CG1-CG2 3.96Å; V446-T589 HydrophobicContact CG2-CG2 4.48Å; E450-T589 WeakPolarHBondContact OE1-CB 3.13Å; E450-T589 PolarHBondContact OE1-OG1 3.29Å; T589-K592 HydrophobicContact CG2-CD 4.48Å; T589-F601 HydrophobicContact CG2-CB 4.38Å; T589-F601 WeakPolarHBondContact OG1-CB 3.16Å
590S96.7Very high96.4Very high15 Ų1539.8 Ų39.811%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-79.4-28.2178.7540000113.7Y588 A600 A662Y588-S590 PolarHBondContact O-N 2.7Å; S590-A600 PolarHBondContact N-O 2.97Å; S590-A600 VanDerWaalsContact N-O 3.14Å; S590-A600 PolarHBondContact OG-O 3.14Å; S590-A600 VanDerWaalsContact OG-O 3.09Å; S590-A662 WeakPolarHBondContact O-CB 3.48Å
591W96.8Very high96.5Very high52 Ų5237.5 Ų37.520%0.19721%0.21CC..EExtended strand (participates in β ladder)trans-144128.6-170.9-151.4-112.5000111.7H593 V599 A600 Y621 L623 Y661 A662W591-H593 AromaticContact CE2-CD2 3.96Å; W591-H593 AromaticContact CZ2-CD2 3.59Å; W591-H593 AromaticContact NE1-CG 3.88Å; W591-V599 CarbonylContact O-C 3.54Å; W591-V599 WeakPolarHBondContact O-CA 3.02Å; W591-A600 HydrophobicContact CB-CB 3.94Å; W591-A600 PolarHBondContact N-O 3.19Å; W591-A600 PolarHBondContact O-N 3.38Å; W591-Y621 AromaticContact CD1-CE1 3.93Å; W591-Y621 AromaticContact NE1-CE1 3.48Å; W591-Y621 AromaticContact NE1-CZ 3.65Å; W591-Y621 PolarHBondContact NE1-OH 2.78Å; W591-L623 HydrophobicContact CG-CD2 4.38Å; W591-Y661 HydrophobicContact CE3-CE1 4.34Å; W591-Y661 HydrophobicContact CH2-CE1 4.28Å; W591-Y661 AromaticContact CH2-CZ 3.8Å; W591-Y661 WeakPolarHBondContact CH2-OH 3.46Å; W591-Y661 WeakPolarHBondContact CZ2-OH 3.27Å; W591-Y661 HydrophobicContact CZ3-CE1 4.07Å; W591-Y661 AromaticContact CZ3-CZ 3.95Å; W591-A662 HydrophobicContact CE3-CB 3.63Å; W591-A662 HydrophobicContact CZ3-CB 3.79Å
592K96.7Very high96.5Very high107 Ų10738.1 Ų38.147%0.46521%0.212SC..EExtended strand (participates in β ladder)trans-146.279.7174.954.3-168-176.4-176.30108.5V446 T589V446-K592 HydrophobicContact CB-CD 4.44Å; V446-K592 HydrophobicContact CG1-CD 4.28Å; V446-K592 HydrophobicContact CG2-CB 4.34Å; T589-K592 HydrophobicContact CG2-CD 4.48Å
593H97.6Very high96.5Very high56 Ų5638.2 Ų38.226%0.25921%0.213SC..EExtended strand (participates in β ladder)trans-98.8115.1-165.9-165.4-92.1000111.4W591 S595 D596 K597 I598W591-H593 AromaticContact CE2-CD2 3.96Å; W591-H593 AromaticContact CZ2-CD2 3.59Å; W591-H593 AromaticContact NE1-CG 3.88Å; H593-S595 PolarHBondContact CE1-OG 3.45Å; H593-S595 PolarHBondContact ND1-OG 2.83Å; H593-D596 IonicContact CE1-OD1 2.76Å; H593-D596 PolarHBondContact CE1-OD1 2.93Å; H593-D596 VanDerWaalsContact CE1-OD1 3.31Å; H593-D596 IonicContact CE1-OD2 3.84Å; H593-D596 PolarHBondContact CE1-OD2 2.84Å; H593-D596 VanDerWaalsContact ND1-CB 3.3Å; H593-D596 WeakPolarHBondContact ND1-CB 3.4Å; H593-D596 PolarHBondContact ND1-N 2.87Å; H593-D596 IonicContact ND1-OD1 3.2Å; H593-D596 PolarHBondContact ND1-OD1 2.91Å; H593-D596 IonicContact ND1-OD2 3.39Å; H593-D596 PolarHBondContact ND1-OD2 2.57Å; H593-K597 VanDerWaalsContact O-CA 3.24Å; H593-K597 WeakPolarHBondContact O-CA 3.37Å; H593-K597 PolarHBondContact O-N 2.77Å; H593-I598 PolarHBondContact N-O 3.21Å; H593-I598 PolarHBondContact O-N 3.35Å
594E97.1Very high96.5Very high69 Ų6937.4 Ų37.432%0.32221%0.208SC..THydrogen-bonded Turntrans-69.4-44.5-170.1-61.6-54145.300113.9N441 M442 G443 K597N441-E594 WeakPolarHBondContact CA-OE2 3.37Å; N441-E594 PolarHBondContact OD1-OE1 3.27Å; M442-E594 PolarHBondContact N-OE1 3.17Å; M442-E594 PolarHBondContact N-OE2 3.06Å; G443-E594 PolarHBondContact N-OE1 2.78Å; E594-K597 WeakPolarHBondContact O-CD 3.35Å; E594-K597 PolarHBondContact O-NZ 2.84Å
595S95.7Very high96.5Very high83 Ų8336.4 Ų36.458%0.5821%0.207SC*.THydrogen-bonded Turntrans-70-45.6-177.660.70000111.6H593 K597H593-S595 PolarHBondContact CE1-OG 3.45Å; H593-S595 PolarHBondContact ND1-OG 2.83Å; S595-K597 VanDerWaalsContact C-N 3.27Å; S595-K597 PolarHBondContact O-N 2.87Å
596D97.2Very high96.9Very high37 Ų3735.2 Ų35.220%0.19819%0.194CC..THydrogen-bonded Turntrans-79.1-16.7-176.9-57-2.3000111.6H593 I598 N613 F618 Y621H593-D596 IonicContact CE1-OD1 2.76Å; H593-D596 PolarHBondContact CE1-OD1 2.93Å; H593-D596 VanDerWaalsContact CE1-OD1 3.31Å; H593-D596 IonicContact CE1-OD2 3.84Å; H593-D596 PolarHBondContact CE1-OD2 2.84Å; H593-D596 VanDerWaalsContact ND1-CB 3.3Å; H593-D596 WeakPolarHBondContact ND1-CB 3.4Å; H593-D596 PolarHBondContact ND1-N 2.87Å; H593-D596 IonicContact ND1-OD1 3.2Å; H593-D596 PolarHBondContact ND1-OD1 2.91Å; H593-D596 IonicContact ND1-OD2 3.39Å; H593-D596 PolarHBondContact ND1-OD2 2.57Å; D596-I598 VanDerWaalsContact C-N 3.28Å; D596-I598 HydrophobicContact CB-CG1 3.88Å; D596-I598 PolarHBondContact O-N 3.49Å; D596-N613 WeakPolarHBondContact O-CB 3.2Å; D596-N613 PolarHBondContact O-ND2 2.94Å; D596-F618 HydrophobicContact CB-CE1 4.1Å; D596-F618 HydrophobicContact CB-CE2 4.07Å; D596-F618 HydrophobicContact CB-CZ 3.6Å; D596-F618 WeakPolarHBondContact O-CE2 3.28Å; D596-Y621 HydrophobicContact CB-CE2 4.34Å; D596-Y621 WeakPolarHBondContact OD2-CE2 3.44Å; D596-Y621 PolarHBondContact OD2-OH 3.32Å
597K98.1Very high97.2Very high19 Ų1931.1 Ų31.18%0.08317%0.167CC..THydrogen-bonded Turntrans59.336.9-175.4-58.7-72.7-169.4-92.70112.7E438 W440 M442 H593 E594 S595 F612 N613E438-K597 VanDerWaalsContact C-CE 3.46Å; E438-K597 WeakPolarHBondContact O-CE 3.46Å; E438-K597 PolarHBondContact O-NZ 3.44Å; W440-K597 WeakPolarHBondContact O-CD 3.37Å; W440-K597 WeakPolarHBondContact O-CE 3.3Å; W440-K597 PolarHBondContact O-NZ 3.41Å; M442-K597 HydrophobicContact CE-CD 4Å; M442-K597 HydrophobicContact CG-CD 4.15Å; M442-K597 HydrophobicContact SD-CB 4.41Å; M442-K597 HydrophobicContact SD-CD 4.29Å; H593-K597 VanDerWaalsContact O-CA 3.24Å; H593-K597 WeakPolarHBondContact O-CA 3.37Å; H593-K597 PolarHBondContact O-N 2.77Å; E594-K597 WeakPolarHBondContact O-CD 3.35Å; E594-K597 PolarHBondContact O-NZ 2.84Å; S595-K597 VanDerWaalsContact C-N 3.27Å; S595-K597 PolarHBondContact O-N 2.87Å; K597-F612 HydrophobicContact CB-CB 4.1Å; K597-F612 PolarHBondContact O-N 2.94Å; K597-N613 HydrophobicContact CB-CB 4.14Å
598I98.3Very high97.3Very high0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-101.4131179-59.9-79.4000109.8H593 D596 F610 N611 F618 Y621 L623 A672H593-I598 PolarHBondContact N-O 3.21Å; H593-I598 PolarHBondContact O-N 3.35Å; D596-I598 VanDerWaalsContact C-N 3.28Å; D596-I598 HydrophobicContact CB-CG1 3.88Å; D596-I598 PolarHBondContact O-N 3.49Å; I598-F610 VanDerWaalsContact CA-O 3.32Å; I598-F610 WeakPolarHBondContact CA-O 3.25Å; I598-N611 HydrophobicContact CD1-CB 3.49Å; I598-N611 VanDerWaalsContact CD1-CB 3.49Å; I598-F618 HydrophobicContact CD1-CD2 3.94Å; I598-F618 HydrophobicContact CD1-CE2 4.16Å; I598-F618 HydrophobicContact CG1-CD2 4.3Å; I598-F618 HydrophobicContact CG1-CE2 4.22Å; I598-Y621 HydrophobicContact CB-CE1 4.05Å; I598-Y621 HydrophobicContact CG1-CE1 4Å; I598-Y621 HydrophobicContact CG1-CE2 4.25Å; I598-Y621 HydrophobicContact CG2-CD1 4.29Å; I598-Y621 HydrophobicContact CG2-CE1 3.75Å; I598-L623 HydrophobicContact CG2-CD2 4.46Å; I598-A672 HydrophobicContact CD1-CB 4.19Å
599V98.6Very high97.4Very high0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-119.1130.2168.9177.10000108.7M442 V446 I511 W591 F601 F610M442-V599 HydrophobicContact CB-CG2 3.88Å; M442-V599 HydrophobicContact CG-CG2 4.12Å; M442-V599 HydrophobicContact SD-CG2 3.81Å; V446-V599 HydrophobicContact CG2-CG1 3.73Å; V446-V599 HydrophobicContact CG2-CG2 4.14Å; I511-V599 HydrophobicContact CD1-CG1 4.31Å; W591-V599 CarbonylContact O-C 3.54Å; W591-V599 WeakPolarHBondContact O-CA 3.02Å; V599-F601 HydrophobicContact CG1-CD1 3.98Å; V599-F601 HydrophobicContact CG1-CE1 4.23Å; V599-F610 HydrophobicContact CB-CB 4.35Å; V599-F610 PolarHBondContact N-O 3.1Å; V599-F610 PolarHBondContact O-N 2.83Å
600A98.5Very high97.5Very high0 Ų024.2 Ų24.20%013%0.133CC..EExtended strand (participates in β ladder)trans-140.8135174.500000112.1S590 W591 F608 L623S590-A600 PolarHBondContact N-O 2.97Å; S590-A600 VanDerWaalsContact N-O 3.14Å; S590-A600 PolarHBondContact OG-O 3.14Å; S590-A600 VanDerWaalsContact OG-O 3.09Å; W591-A600 HydrophobicContact CB-CB 3.94Å; W591-A600 PolarHBondContact N-O 3.19Å; W591-A600 PolarHBondContact O-N 3.38Å; A600-F608 VanDerWaalsContact CA-O 3.22Å; A600-F608 WeakPolarHBondContact CA-O 3.17Å; A600-L623 HydrophobicContact CB-CD1 4.23Å; A600-L623 HydrophobicContact CB-CD2 3.75Å
601F98.3Very high97.5Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-150.3157.1-177.456.6-92.8000112I511 C514 L515 A587 Y588 T589 V599 F608 F610I511-F601 HydrophobicContact CG1-CE1 4.18Å; I511-F601 HydrophobicContact CG1-CZ 4.43Å; C514-F601 HydrophobicContact CB-CE2 4.24Å; C514-F601 HydrophobicContact CB-CZ 4.46Å; C514-F601 WeakPolarHBondContact SG-CZ 3.42Å; L515-F601 HydrophobicContact CB-CE1 4.43Å; L515-F601 HydrophobicContact CB-CE2 4.33Å; L515-F601 HydrophobicContact CB-CZ 3.96Å; L515-F601 HydrophobicContact CD1-CD1 4.44Å; L515-F601 HydrophobicContact CD1-CD2 4.11Å; L515-F601 HydrophobicContact CD1-CE1 4.48Å; L515-F601 HydrophobicContact CD1-CE2 4.15Å; L515-F601 HydrophobicContact CD1-CG 4.24Å; L515-F601 HydrophobicContact CD1-CZ 4.31Å; L515-F601 HydrophobicContact CD2-CD1 4.32Å; L515-F601 HydrophobicContact CD2-CE1 4.08Å; L515-F601 HydrophobicContact CD2-CZ 4.42Å; L515-F601 HydrophobicContact CG-CZ 4.48Å; A587-F601 HydrophobicContact CB-CB 4.47Å; A587-F601 HydrophobicContact CB-CD2 3.86Å; A587-F601 HydrophobicContact CB-CG 4.47Å; Y588-F601 CarbonylContact O-C 3.59Å; Y588-F601 VanDerWaalsContact O-CA 3.24Å; Y588-F601 WeakPolarHBondContact O-CA 3.13Å; Y588-F601 WeakPolarHBondContact O-CB 3.36Å; T589-F601 HydrophobicContact CG2-CB 4.38Å; T589-F601 WeakPolarHBondContact OG1-CB 3.16Å; V599-F601 HydrophobicContact CG1-CD1 3.98Å; V599-F601 HydrophobicContact CG1-CE1 4.23Å; F601-F608 HydrophobicContact CD1-CB 4.37Å; F601-F608 HydrophobicContact CD2-CB 3.94Å; F601-F608 AromaticContact CD2-CD2 3.86Å; F601-F608 HydrophobicContact CD2-CD2 3.86Å; F601-F608 HydrophobicContact CD2-CG 4.11Å; F601-F608 HydrophobicContact CE1-CB 4.07Å; F601-F608 HydrophobicContact CE2-CB 3.61Å; F601-F608 HydrophobicContact CE2-CD1 4.26Å; F601-F608 AromaticContact CE2-CD2 3.61Å; F601-F608 HydrophobicContact CE2-CD2 3.61Å; F601-F608 HydrophobicContact CE2-CE2 4.35Å; F601-F608 AromaticContact CE2-CG 3.56Å; F601-F608 HydrophobicContact CE2-CG 3.56Å; F601-F608 HydrophobicContact CG-CB 4.32Å; F601-F608 HydrophobicContact CZ-CB 3.69Å; F601-F608 HydrophobicContact CZ-CD1 4.46Å; F601-F608 HydrophobicContact CZ-CD2 4.47Å; F601-F608 AromaticContact CZ-CG 3.98Å; F601-F608 HydrophobicContact CZ-CG 3.98Å; F601-F608 PolarHBondContact N-O 3.44Å; F601-F608 PolarHBondContact O-N 3.5Å; F601-F610 AromaticContact CE1-CD2 3.93Å; F601-F610 HydrophobicContact CE1-CD2 3.93Å; F601-F610 AromaticContact CE1-CE2 3.51Å; F601-F610 HydrophobicContact CE1-CE2 3.51Å; F601-F610 AromaticContact CZ-CE2 3.66Å; F601-F610 HydrophobicContact CZ-CE2 3.66Å; F601-F610 HydrophobicContact CZ-CZ 4.41Å
602E98.1Very high97.6Very high13 Ų1321.2 Ų21.26%0.06112%0.119CC..EExtended strand (participates in β ladder)trans-106.4131.4174.9-72.5174.794.700111.2A587 Y588 L606 L607 E626 R664A587-E602 CarbonylContact C-O 3.49Å; A587-E602 VanDerWaalsContact CA-O 3.29Å; A587-E602 WeakPolarHBondContact CA-O 3.47Å; Y588-E602 PolarHBondContact N-O 3.14Å; Y588-E602 PolarHBondContact O-N 2.66Å; E602-L606 CarbonylContact C-O 3.59Å; E602-L606 WeakPolarHBondContact CA-O 3.25Å; E602-L607 HydrophobicContact CG-CD1 4.01Å; E602-E626 PolarHBondContact OE1-N 3.45Å; E602-E626 VanDerWaalsContact OE1-N 3.12Å; E602-E626 PolarHBondContact OE2-N 2.89Å; E602-R664 IonicContact OE1-NH2 3.9Å; E602-R664 IonicContact OE2-CZ 3.47Å; E602-R664 IonicContact OE2-NE 3.82Å; E602-R664 PolarHBondContact OE2-NE 3.02Å; E602-R664 IonicContact OE2-NH2 3.11Å; E602-R664 PolarHBondContact OE2-NH2 3.47Å
603R97.3Very high97.7Very high3 Ų316.8 Ų16.81%0.01110%0.101CC..EExtended strand (participates in β ladder)trans-143135.1171.5-164.1175.9-173.1-169.7-3.4109.6C514 G517 E518 W581 L582 G585 A587 G605 L606 F608C514-R603 WeakPolarHBondContact O-CD 3.42Å; C514-R603 PolarHBondContact O-NH1 2.54Å; G517-R603 VanDerWaalsContact O-CZ 3.31Å; G517-R603 PolarHBondContact O-NH1 2.78Å; G517-R603 PolarHBondContact O-NH2 2.82Å; E518-R603 IonicContact OE1-NH2 2.83Å; W581-R603 HydrophobicContact CB-CG 4.26Å; W581-R603 PolarHBondContact O-NE 2.8Å; L582-R603 PolarHBondContact O-NH2 2.9Å; G585-R603 PolarHBondContact O-NE 2.91Å; G585-R603 PolarHBondContact O-NH2 3.13Å; G585-R603 VanDerWaalsContact O-NH2 3.12Å; A587-R603 HydrophobicContact CB-CB 3.94Å; A587-R603 HydrophobicContact CB-CG 4.18Å; R603-G605 PolarHBondContact O-N 3.49Å; R603-G605 VanDerWaalsContact O-N 3.14Å; R603-L606 PolarHBondContact N-O 2.76Å; R603-L606 WeakPolarHBondContact O-CB 3.48Å; R603-L606 PolarHBondContact O-N 3.32Å; R603-F608 HydrophobicContact CB-CD2 4.48Å; R603-F608 HydrophobicContact CB-CE2 3.95Å
604A95.8Very high97.7Very high22 Ų2215 Ų1518%0.1829%0.094CC..THydrogen-bonded Turntrans52.732.4-175.400000113.9W581 S584 L606 R685W581-A604 HydrophobicContact CB-CB 3.94Å; S584-A604 VanDerWaalsContact CB-CB 3.48Å; S584-A604 VanDerWaalsContact OG-CB 3.25Å; S584-A604 WeakPolarHBondContact OG-CB 3.24Å; A604-L606 PolarHBondContact O-N 2.86Å; A604-R685 PolarHBondContact O-NH1 3.18Å
605G94.5Very high97.7Very high31 Ų3116.6 Ų16.632%0.3211%0.109SC..THydrogen-bonded Turntrans725.4-176.700000115.4R603 P682R603-G605 PolarHBondContact O-N 3.49Å; R603-G605 VanDerWaalsContact O-N 3.14Å; G605-P682 VanDerWaalsContact O-CD 3.28Å; G605-P682 WeakPolarHBondContact O-CD 3.4Å
606L97.5Very high97.8Very high0 Ų017.8 Ų17.80%011%0.105CC..EExtended strand (participates in β ladder)trans-90.8149.4170.3-53.9178.7000109.9Y579 W581 E602 R603 A604 F608 I634 V679 L680 A681Y579-L606 HydrophobicContact CD1-CD2 3.83Å; Y579-L606 HydrophobicContact CE1-CD2 4.34Å; Y579-L606 HydrophobicContact CG-CD1 4.08Å; Y579-L606 HydrophobicContact CG-CD2 4.17Å; W581-L606 HydrophobicContact CE3-CD1 3.67Å; W581-L606 HydrophobicContact CZ3-CD1 4.19Å; E602-L606 CarbonylContact C-O 3.59Å; E602-L606 WeakPolarHBondContact CA-O 3.25Å; R603-L606 PolarHBondContact N-O 2.76Å; R603-L606 WeakPolarHBondContact O-CB 3.48Å; R603-L606 PolarHBondContact O-N 3.32Å; A604-L606 PolarHBondContact O-N 2.86Å; L606-F608 HydrophobicContact CB-CD2 4.33Å; L606-F608 HydrophobicContact CB-CE2 3.72Å; L606-F608 HydrophobicContact CB-CZ 4.26Å; L606-F608 HydrophobicContact CD1-CE2 4.16Å; L606-F608 HydrophobicContact CD1-CZ 3.91Å; L606-I634 HydrophobicContact CD1-CD1 4.07Å; L606-I634 HydrophobicContact CD2-CD1 4.03Å; L606-V679 HydrophobicContact CB-CG1 4.02Å; L606-V679 HydrophobicContact CD1-CG1 4.1Å; L606-L680 WeakPolarHBondContact CA-O 3.34Å; L606-A681 HydrophobicContact CD2-CB 3.49Å; L606-A681 VanDerWaalsContact CD2-CB 3.49Å
607L98.1Very high97.8Very high0 Ų018 Ų180%011%0.11CC..EExtended strand (participates in β ladder)trans-102.2122.6168.6177.868.7000109.2E602 I609 L623 V625 L668 V679 L680E602-L607 HydrophobicContact CG-CD1 4.01Å; L607-I609 HydrophobicContact CB-CD1 4.39Å; L607-I609 HydrophobicContact CD2-CD1 3.76Å; L607-I609 HydrophobicContact CD2-CG1 4.11Å; L607-I609 HydrophobicContact CG-CD1 3.65Å; L607-I609 HydrophobicContact CG-CG1 4.1Å; L607-L623 HydrophobicContact CD2-CD1 4.38Å; L607-V625 HydrophobicContact CB-CG1 4.28Å; L607-V625 HydrophobicContact CD1-CG1 4.06Å; L607-V625 HydrophobicContact CD2-CG1 3.63Å; L607-V625 HydrophobicContact CG-CG1 4.19Å; L607-L668 HydrophobicContact CD2-CD1 4.1Å; L607-L668 HydrophobicContact CD2-CD2 4.13Å; L607-L668 HydrophobicContact CD2-CG 4.41Å; L607-V679 WeakPolarHBondContact O-CA 3.24Å; L607-L680 HydrophobicContact CB-CB 4.37Å; L607-L680 HydrophobicContact CD2-CD1 4.31Å; L607-L680 PolarHBondContact N-O 3.14Å; L607-L680 PolarHBondContact O-N 2.76Å
608F98.6Very high97.8Very high0 Ų018.7 Ų18.70%011%0.113CC..EExtended strand (participates in β ladder)trans-101.1132.8174-64.2-100.7000109.4C514 W581 A600 F601 R603 L606 F610 V679C514-F608 HydrophobicContact CB-CD1 3.9Å; C514-F608 HydrophobicContact CB-CE1 3.44Å; C514-F608 VanDerWaalsContact CB-CE1 3.44Å; C514-F608 HydrophobicContact CB-CE2 4.41Å; C514-F608 HydrophobicContact CB-CZ 3.74Å; C514-F608 WeakPolarHBondContact SG-CD1 3.42Å; W581-F608 HydrophobicContact CB-CZ 4.48Å; W581-F608 HydrophobicContact CD2-CZ 4.02Å; W581-F608 HydrophobicContact CE3-CZ 4.08Å; W581-F608 HydrophobicContact CG-CZ 4.21Å; A600-F608 VanDerWaalsContact CA-O 3.22Å; A600-F608 WeakPolarHBondContact CA-O 3.17Å; F601-F608 HydrophobicContact CD1-CB 4.37Å; F601-F608 HydrophobicContact CD2-CB 3.94Å; F601-F608 AromaticContact CD2-CD2 3.86Å; F601-F608 HydrophobicContact CD2-CD2 3.86Å; F601-F608 HydrophobicContact CD2-CG 4.11Å; F601-F608 HydrophobicContact CE1-CB 4.07Å; F601-F608 HydrophobicContact CE2-CB 3.61Å; F601-F608 HydrophobicContact CE2-CD1 4.26Å; F601-F608 AromaticContact CE2-CD2 3.61Å; F601-F608 HydrophobicContact CE2-CD2 3.61Å; F601-F608 HydrophobicContact CE2-CE2 4.35Å; F601-F608 AromaticContact CE2-CG 3.56Å; F601-F608 HydrophobicContact CE2-CG 3.56Å; F601-F608 HydrophobicContact CG-CB 4.32Å; F601-F608 HydrophobicContact CZ-CB 3.69Å; F601-F608 HydrophobicContact CZ-CD1 4.46Å; F601-F608 HydrophobicContact CZ-CD2 4.47Å; F601-F608 AromaticContact CZ-CG 3.98Å; F601-F608 HydrophobicContact CZ-CG 3.98Å; F601-F608 PolarHBondContact N-O 3.44Å; F601-F608 PolarHBondContact O-N 3.5Å; R603-F608 HydrophobicContact CB-CD2 4.48Å; R603-F608 HydrophobicContact CB-CE2 3.95Å; L606-F608 HydrophobicContact CB-CD2 4.33Å; L606-F608 HydrophobicContact CB-CE2 3.72Å; L606-F608 HydrophobicContact CB-CZ 4.26Å; L606-F608 HydrophobicContact CD1-CE2 4.16Å; L606-F608 HydrophobicContact CD1-CZ 3.91Å; F608-F610 HydrophobicContact CB-CE2 3.88Å; F608-V679 HydrophobicContact CD1-CB 4.31Å; F608-V679 HydrophobicContact CD1-CG1 3.94Å; F608-V679 HydrophobicContact CD1-CG2 3.41Å; F608-V679 VanDerWaalsContact CD1-CG2 3.41Å; F608-V679 HydrophobicContact CD2-CG1 4.48Å; F608-V679 HydrophobicContact CE1-CB 4.4Å; F608-V679 HydrophobicContact CE1-CG1 3.81Å; F608-V679 HydrophobicContact CE1-CG2 3.62Å; F608-V679 HydrophobicContact CE2-CG1 4.38Å; F608-V679 HydrophobicContact CG-CG1 4.27Å; F608-V679 HydrophobicContact CG-CG2 4.27Å; F608-V679 HydrophobicContact CZ-CG1 4.04Å
609I98.6Very high97.7Very high1 Ų123.9 Ų23.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-127.2128.8-179.2-53.287.8000108.8L607 L623 C677 F678 L680L607-I609 HydrophobicContact CB-CD1 4.39Å; L607-I609 HydrophobicContact CD2-CD1 3.76Å; L607-I609 HydrophobicContact CD2-CG1 4.11Å; L607-I609 HydrophobicContact CG-CD1 3.65Å; L607-I609 HydrophobicContact CG-CG1 4.1Å; I609-L623 HydrophobicContact CB-CD1 4.34Å; I609-L623 HydrophobicContact CG1-CD1 3.47Å; I609-L623 VanDerWaalsContact CG1-CD1 3.47Å; I609-L623 HydrophobicContact CG2-CD1 3.88Å; I609-C677 WeakPolarHBondContact O-CA 3.29Å; I609-C677 WeakPolarHBondContact O-CB 3.47Å; I609-F678 HydrophobicContact CB-CD2 4.26Å; I609-F678 HydrophobicContact CB-CE1 4.13Å; I609-F678 HydrophobicContact CB-CE2 3.87Å; I609-F678 HydrophobicContact CB-CZ 3.8Å; I609-F678 HydrophobicContact CD1-CD2 3.79Å; I609-F678 HydrophobicContact CD1-CE2 3.58Å; I609-F678 HydrophobicContact CD1-CZ 4.36Å; I609-F678 HydrophobicContact CG1-CD2 4.4Å; I609-F678 HydrophobicContact CG1-CE2 3.86Å; I609-F678 HydrophobicContact CG1-CZ 4.16Å; I609-F678 HydrophobicContact CG2-CE1 3.98Å; I609-F678 HydrophobicContact CG2-CE2 4.28Å; I609-F678 HydrophobicContact CG2-CZ 3.71Å; I609-F678 PolarHBondContact N-O 3.26Å; I609-F678 PolarHBondContact O-N 3.12Å; I609-L680 HydrophobicContact CD1-CD1 4.17Å; I609-L680 HydrophobicContact CD1-CG 3.87Å
610F98.7Very high97.5Very high1 Ų126 Ų260%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-127.7127.6176-63.4-98.5000109.9M507 L510 I511 I598 V599 F601 F608 F612 C677M507-F610 HydrophobicContact CB-CD1 4.45Å; M507-F610 HydrophobicContact CE-CB 4.3Å; M507-F610 HydrophobicContact CE-CD1 4.37Å; L510-F610 HydrophobicContact CB-CE1 4.11Å; L510-F610 HydrophobicContact CB-CZ 4.27Å; L510-F610 HydrophobicContact CD2-CE1 4.05Å; L510-F610 HydrophobicContact CD2-CZ 3.87Å; L510-F610 HydrophobicContact CG-CE1 4.18Å; L510-F610 HydrophobicContact CG-CZ 3.91Å; I511-F610 HydrophobicContact CB-CD1 4.09Å; I511-F610 HydrophobicContact CB-CE1 3.54Å; I511-F610 HydrophobicContact CB-CE2 4.18Å; I511-F610 HydrophobicContact CB-CZ 3.6Å; I511-F610 HydrophobicContact CD1-CD2 4.42Å; I511-F610 HydrophobicContact CD1-CG 4.46Å; I511-F610 HydrophobicContact CG1-CD2 4.42Å; I511-F610 HydrophobicContact CG1-CE1 4.27Å; I511-F610 HydrophobicContact CG1-CE2 4.07Å; I511-F610 HydrophobicContact CG1-CZ 4Å; I598-F610 VanDerWaalsContact CA-O 3.32Å; I598-F610 WeakPolarHBondContact CA-O 3.25Å; V599-F610 HydrophobicContact CB-CB 4.35Å; V599-F610 PolarHBondContact N-O 3.1Å; V599-F610 PolarHBondContact O-N 2.83Å; F601-F610 AromaticContact CE1-CD2 3.93Å; F601-F610 HydrophobicContact CE1-CD2 3.93Å; F601-F610 AromaticContact CE1-CE2 3.51Å; F601-F610 HydrophobicContact CE1-CE2 3.51Å; F601-F610 AromaticContact CZ-CE2 3.66Å; F601-F610 HydrophobicContact CZ-CE2 3.66Å; F601-F610 HydrophobicContact CZ-CZ 4.41Å; F608-F610 HydrophobicContact CB-CE2 3.88Å; F610-F612 HydrophobicContact CB-CD2 3.96Å; F610-F612 HydrophobicContact CB-CE2 3.61Å; F610-F612 HydrophobicContact CD1-CE2 4.08Å; F610-F612 HydrophobicContact CD1-CZ 4.21Å; F610-F612 HydrophobicContact CG-CE2 4.08Å; F610-C677 HydrophobicContact CD1-CB 3.29Å; F610-C677 HydrophobicContact CE1-CB 3.44Å; F610-C677 VanDerWaalsContact CE1-CB 3.44Å; F610-C677 HydrophobicContact CG-CB 3.98Å; F610-C677 HydrophobicContact CZ-CB 4.26Å
611N98.6Very high97.5Very high0 Ų027 Ų270%017%0.172CC..EExtended strand (participates in β ladder)trans-11098.7168.1-176.70.3000109.9M507 I598 N613 E616 A672 P673 S674 R675 T676M507-N611 WeakPolarHBondContact CE-O 3.33Å; I598-N611 HydrophobicContact CD1-CB 3.49Å; I598-N611 VanDerWaalsContact CD1-CB 3.49Å; N611-N613 VanDerWaalsContact C-N 3.28Å; N611-N613 WeakPolarHBondContact OD1-CB 3.2Å; N611-N613 PolarHBondContact OD1-N 3.01Å; N611-E616 PolarHBondContact ND2-O 3.34Å; N611-E616 VanDerWaalsContact ND2-O 3.12Å; N611-A672 HydrophobicContact CB-CB 4.37Å; N611-A672 PolarHBondContact ND2-O 2.83Å; N611-P673 WeakPolarHBondContact CB-O 3.28Å; N611-P673 VanDerWaalsContact ND2-C 3.26Å; N611-P673 PolarHBondContact ND2-O 3.39Å; N611-S674 PolarHBondContact ND2-N 2.75Å; N611-R675 WeakPolarHBondContact O-CA 3.31Å; N611-R675 PolarHBondContact O-N 2.62Å; N611-T676 PolarHBondContact N-O 3.19Å; N611-T676 PolarHBondContact O-N 2.77Å
612F98.6Very high97.4Very high4 Ų429.8 Ų29.82%0.01818%0.184CC..  trans-84.62175.7-74.8-81.9000113.3W440 M442 L445 L504 M507 I511 K597 F610W440-F612 HydrophobicContact CE3-CD1 4.18Å; W440-F612 AromaticContact CZ3-CD1 3.9Å; W440-F612 HydrophobicContact CZ3-CD1 3.9Å; W440-F612 HydrophobicContact CZ3-CE1 4.14Å; M442-F612 HydrophobicContact CE-CB 4.34Å; M442-F612 HydrophobicContact SD-CB 4.03Å; M442-F612 HydrophobicContact SD-CD2 3.9Å; M442-F612 HydrophobicContact SD-CG 4.23Å; L445-F612 HydrophobicContact CD2-CE2 4.38Å; L445-F612 HydrophobicContact CD2-CZ 4.41Å; L504-F612 HydrophobicContact CD2-CD1 4.01Å; L504-F612 HydrophobicContact CD2-CE1 4.35Å; M507-F612 HydrophobicContact CB-CE1 4.02Å; M507-F612 HydrophobicContact CB-CZ 4.21Å; M507-F612 HydrophobicContact CE-CB 4.41Å; M507-F612 HydrophobicContact CE-CD1 3.54Å; M507-F612 HydrophobicContact CE-CD2 3.91Å; M507-F612 HydrophobicContact CE-CE1 3.63Å; M507-F612 HydrophobicContact CE-CE2 3.99Å; M507-F612 HydrophobicContact CE-CG 3.68Å; M507-F612 HydrophobicContact CE-CZ 3.86Å; M507-F612 HydrophobicContact SD-CD1 4.49Å; M507-F612 HydrophobicContact SD-CE1 4.48Å; I511-F612 HydrophobicContact CD1-CE2 4Å; I511-F612 HydrophobicContact CD1-CZ 4.29Å; I511-F612 HydrophobicContact CG2-CZ 4.33Å; K597-F612 HydrophobicContact CB-CB 4.1Å; K597-F612 PolarHBondContact O-N 2.94Å; F610-F612 HydrophobicContact CB-CD2 3.96Å; F610-F612 HydrophobicContact CB-CE2 3.61Å; F610-F612 HydrophobicContact CD1-CE2 4.08Å; F610-F612 HydrophobicContact CD1-CZ 4.21Å; F610-F612 HydrophobicContact CG-CE2 4.08Å
613N98.3Very high97.4Very high13 Ų1329.2 Ų29.27%0.0718%0.181CC..  trans-61.5132.9178.3-159.3-69.4000109.9D596 K597 N611 T615 E616 F618 S674 R675D596-N613 WeakPolarHBondContact O-CB 3.2Å; D596-N613 PolarHBondContact O-ND2 2.94Å; K597-N613 HydrophobicContact CB-CB 4.14Å; N611-N613 VanDerWaalsContact C-N 3.28Å; N611-N613 WeakPolarHBondContact OD1-CB 3.2Å; N611-N613 PolarHBondContact OD1-N 3.01Å; N613-T615 VanDerWaalsContact C-N 3.3Å; N613-T615 PolarHBondContact O-N 2.91Å; N613-T615 PolarHBondContact OD1-N 3.23Å; N613-E616 HydrophobicContact CB-CB 4.36Å; N613-E616 WeakPolarHBondContact OD1-CB 2.97Å; N613-E616 PolarHBondContact OD1-N 2.88Å; N613-F618 HydrophobicContact CB-CE2 4.29Å; N613-S674 PolarHBondContact O-OG 3.34Å; N613-R675 PolarHBondContact O-N 2.87Å
614P97.3Very high97.4Very high20 Ų2029.1 Ų29.113%0.1318%0.181CC..SBendtrans-70.3-23.9-178.626.5-34.9000113.5D437 E438 S674D437-P614 HydrophobicContact CB-CB 4.11Å; D437-P614 HydrophobicContact CB-CG 4.34Å; E438-P614 HydrophobicContact CB-CG 4.45Å; P614-S674 VanDerWaalsContact C-OG 3.23Å; P614-S674 PolarHBondContact O-OG 3.22Å; P614-S674 VanDerWaalsContact O-OG 3.08Å
615T96.6Very high97.5Very high102 Ų10228 Ų2863%0.62617%0.172SC*.SBendtrans-134.8-37.9-171.354.70000114.2N613 S674N613-T615 VanDerWaalsContact C-N 3.3Å; N613-T615 PolarHBondContact O-N 2.91Å; N613-T615 PolarHBondContact OD1-N 3.23Å; T615-S674 PolarHBondContact N-OG 3.48Å
616E97.5Very high97.6Very high107 Ų10729.4 Ų29.450%0.517%0.17SC..  trans-78.7135.1-172.2-61.9-59.8138.800112.7N611 N613 F618 S674N611-E616 PolarHBondContact ND2-O 3.34Å; N611-E616 VanDerWaalsContact ND2-O 3.12Å; N613-E616 HydrophobicContact CB-CB 4.36Å; N613-E616 WeakPolarHBondContact OD1-CB 2.97Å; N613-E616 PolarHBondContact OD1-N 2.88Å; E616-F618 HydrophobicContact CB-CE1 4.23Å; E616-F618 HydrophobicContact CB-CE2 4.01Å; E616-F618 HydrophobicContact CB-CZ 3.67Å; E616-S674 WeakPolarHBondContact O-CA 3.23Å; E616-S674 WeakPolarHBondContact O-CB 3.4Å
617S98Very high97.5Very high42 Ų4234.8 Ų34.829%0.29420%0.196SC..  trans-117.1130.5173.3-60.90000108.6P619 A672 S674S617-P619 VanDerWaalsContact O-CD 3.27Å; S617-P619 WeakPolarHBondContact O-CD 3.43Å; S617-A672 WeakPolarHBondContact CA-O 3.46Å; S617-S674 PolarHBondContact OG-N 2.91Å
618F97.9Very high97.4Very high34 Ų3438.8 Ų38.815%0.14922%0.222CC..EExtended strand (participates in β ladder)trans-108.1104.5-170.1-58.7-82.5000111.8D596 I598 N613 E616 Y621 Y671 A672D596-F618 HydrophobicContact CB-CE1 4.1Å; D596-F618 HydrophobicContact CB-CE2 4.07Å; D596-F618 HydrophobicContact CB-CZ 3.6Å; D596-F618 WeakPolarHBondContact O-CE2 3.28Å; I598-F618 HydrophobicContact CD1-CD2 3.94Å; I598-F618 HydrophobicContact CD1-CE2 4.16Å; I598-F618 HydrophobicContact CG1-CD2 4.3Å; I598-F618 HydrophobicContact CG1-CE2 4.22Å; N613-F618 HydrophobicContact CB-CE2 4.29Å; E616-F618 HydrophobicContact CB-CE1 4.23Å; E616-F618 HydrophobicContact CB-CE2 4.01Å; E616-F618 HydrophobicContact CB-CZ 3.67Å; F618-Y621 HydrophobicContact CB-CD2 3.58Å; F618-Y621 HydrophobicContact CB-CE2 4.41Å; F618-Y621 HydrophobicContact CB-CG 4.16Å; F618-Y621 HydrophobicContact CD1-CD2 4.06Å; F618-Y621 HydrophobicContact CD1-CE2 4.14Å; F618-Y621 HydrophobicContact CD2-CD2 4.48Å; F618-Y621 AromaticContact CG-CD2 3.79Å; F618-Y621 HydrophobicContact CG-CD2 3.79Å; F618-Y621 HydrophobicContact CG-CE2 4.14Å; F618-Y671 WeakPolarHBondContact O-CA 3.49Å; F618-A672 PolarHBondContact N-O 2.89Å; F618-A672 PolarHBondContact O-N 2.88Å
619P95.8Very high97.2Very high108 Ų10840.5 Ų40.570%0.70124%0.24SC*.EExtended strand (participates in β ladder)trans-75.9129.1172.230.9-33.1000110.6S617 Y671S617-P619 VanDerWaalsContact O-CD 3.27Å; S617-P619 WeakPolarHBondContact O-CD 3.43Å; P619-Y671 HydrophobicContact CB-CD2 4.46Å
620G95Very high97.2Very high44 Ų4442.8 Ų42.845%0.45425%0.253SS..EExtended strand (participates in β ladder)trans65.940.7177.200000113.5K622 Y669 V670G620-K622 PolarHBondContact O-N 3.06Å; G620-Y669 VanDerWaalsContact O-CD1 3.29Å; G620-Y669 WeakPolarHBondContact O-CD1 3.14Å; G620-V670 CarbonylContact C-O 3.4Å; G620-V670 VanDerWaalsContact CA-O 3.28Å; G620-V670 WeakPolarHBondContact CA-O 3.42Å; G620-V670 PolarHBondContact N-O 2.92Å
621Y97.5Very high97.1Very high23 Ų2342.8 Ų42.89%0.0925%0.253CS..EExtended strand (participates in β ladder)trans-68126.5174.5-155.3-99.2000110.4W591 D596 I598 F618 L623 Y669 V670W591-Y621 AromaticContact CD1-CE1 3.93Å; W591-Y621 AromaticContact NE1-CE1 3.48Å; W591-Y621 AromaticContact NE1-CZ 3.65Å; W591-Y621 PolarHBondContact NE1-OH 2.78Å; D596-Y621 HydrophobicContact CB-CE2 4.34Å; D596-Y621 WeakPolarHBondContact OD2-CE2 3.44Å; D596-Y621 PolarHBondContact OD2-OH 3.32Å; I598-Y621 HydrophobicContact CB-CE1 4.05Å; I598-Y621 HydrophobicContact CG1-CE1 4Å; I598-Y621 HydrophobicContact CG1-CE2 4.25Å; I598-Y621 HydrophobicContact CG2-CD1 4.29Å; I598-Y621 HydrophobicContact CG2-CE1 3.75Å; F618-Y621 HydrophobicContact CB-CD2 3.58Å; F618-Y621 HydrophobicContact CB-CE2 4.41Å; F618-Y621 HydrophobicContact CB-CG 4.16Å; F618-Y621 HydrophobicContact CD1-CD2 4.06Å; F618-Y621 HydrophobicContact CD1-CE2 4.14Å; F618-Y621 HydrophobicContact CD2-CD2 4.48Å; F618-Y621 AromaticContact CG-CD2 3.79Å; F618-Y621 HydrophobicContact CG-CD2 3.79Å; F618-Y621 HydrophobicContact CG-CE2 4.14Å; Y621-L623 HydrophobicContact CD1-CD2 3.7Å; Y621-L623 HydrophobicContact CD1-CG 4.07Å; Y621-L623 HydrophobicContact CE1-CD2 3.86Å; Y621-Y669 WeakPolarHBondContact O-CA 3.18Å; Y621-V670 PolarHBondContact N-O 2.82Å; Y621-V670 PolarHBondContact O-N 2.79Å
622K97.9Very high97Very high58 Ų5846.3 Ų46.325%0.25227%0.269SS..EExtended strand (participates in β ladder)trans-83.4126.6-177.3-172.1177.4175.9176.30109.9G620 Y661 H667 L668 Y669G620-K622 PolarHBondContact O-N 3.06Å; K622-Y661 HydrophobicContact CB-CE1 4.24Å; K622-Y661 HydrophobicContact CD-CD1 4.29Å; K622-Y661 HydrophobicContact CD-CD2 3.87Å; K622-Y661 HydrophobicContact CD-CE1 4.29Å; K622-Y661 HydrophobicContact CD-CE2 3.88Å; K622-Y661 HydrophobicContact CD-CG 4.07Å; K622-Y661 VanDerWaalsContact CE-CD2 3.49Å; K622-Y661 HydrophobicContact CG-CD1 3.97Å; K622-Y661 HydrophobicContact CG-CD2 4.45Å; K622-Y661 HydrophobicContact CG-CE1 3.91Å; K622-Y661 HydrophobicContact CG-CE2 4.4Å; K622-Y661 HydrophobicContact CG-CG 4.24Å; K622-Y661 VanDerWaalsContact O-CE1 3.29Å; K622-Y661 WeakPolarHBondContact O-CE1 3.44Å; K622-H667 WeakPolarHBondContact CE-CD2 3.14Å; K622-H667 HydrophobicContact CG-CB 4.26Å; K622-L668 WeakPolarHBondContact CA-O 3.31Å; K622-Y669 HydrophobicContact CB-CD1 4.03Å; K622-Y669 HydrophobicContact CB-CE1 3.73Å; K622-Y669 HydrophobicContact CD-CE1 4.28Å; K622-Y669 HydrophobicContact CG-CD1 4.46Å; K622-Y669 HydrophobicContact CG-CE1 3.96Å
623L97.8Very high96.9Very high0 Ų046.7 Ų46.70%027%0.271CS..EExtended strand (participates in β ladder)trans-131140.5178.7-65.2175.6000110.8W591 I598 A600 L607 I609 Y621 H667 L668 V670W591-L623 HydrophobicContact CG-CD2 4.38Å; I598-L623 HydrophobicContact CG2-CD2 4.46Å; A600-L623 HydrophobicContact CB-CD1 4.23Å; A600-L623 HydrophobicContact CB-CD2 3.75Å; L607-L623 HydrophobicContact CD2-CD1 4.38Å; I609-L623 HydrophobicContact CB-CD1 4.34Å; I609-L623 HydrophobicContact CG1-CD1 3.47Å; I609-L623 VanDerWaalsContact CG1-CD1 3.47Å; I609-L623 HydrophobicContact CG2-CD1 3.88Å; Y621-L623 HydrophobicContact CD1-CD2 3.7Å; Y621-L623 HydrophobicContact CD1-CG 4.07Å; Y621-L623 HydrophobicContact CE1-CD2 3.86Å; L623-H667 CarbonylContact O-C 3.29Å; L623-H667 WeakPolarHBondContact O-CA 3.27Å; L623-H667 VanDerWaalsContact O-CB 3.24Å; L623-H667 WeakPolarHBondContact O-CB 3.29Å; L623-L668 HydrophobicContact CB-CD1 4.36Å; L623-L668 PolarHBondContact N-O 2.87Å; L623-L668 PolarHBondContact O-N 2.85Å; L623-V670 HydrophobicContact CD1-CG1 4.42Å; L623-V670 HydrophobicContact CD1-CG2 3.71Å; L623-V670 HydrophobicContact CG-CG2 4.38Å
624G97.6Very high96.9Very high1 Ų147.9 Ų47.91%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-79.8143.3177.400000111.7N666G624-N666 WeakPolarHBondContact CA-O 3.43Å
625V97.6Very high96.9Very high0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans-143.6148.1172.9-69.20000110.3L607 T656 R664 N666 L668L607-V625 HydrophobicContact CB-CG1 4.28Å; L607-V625 HydrophobicContact CD1-CG1 4.06Å; L607-V625 HydrophobicContact CD2-CG1 3.63Å; L607-V625 HydrophobicContact CG-CG1 4.19Å; V625-T656 HydrophobicContact CG2-CG2 3.54Å; V625-R664 WeakPolarHBondContact O-CB 3.2Å; V625-N666 HydrophobicContact CG2-CB 4.04Å; V625-N666 PolarHBondContact N-O 2.78Å; V625-N666 CarbonylContact O-C 3.47Å; V625-N666 WeakPolarHBondContact O-CA 3.41Å; V625-N666 WeakPolarHBondContact O-CB 3.42Å; V625-N666 PolarHBondContact O-N 3.31Å; V625-L668 HydrophobicContact CG1-CD2 3.94Å; V625-L668 HydrophobicContact CG1-CG 4.28Å; V625-L668 HydrophobicContact CG2-CD2 4.26Å; V625-L668 HydrophobicContact CG2-CG 4.45Å
626E96.7Very high97Very high59 Ų5942.9 Ų42.928%0.27625%0.245SC..SBendtrans-80.9-49.4-178.9-168.755.6-148.800112.8E602 R664 S665 N666E602-E626 PolarHBondContact OE1-N 3.45Å; E602-E626 VanDerWaalsContact OE1-N 3.12Å; E602-E626 PolarHBondContact OE2-N 2.89Å; E626-R664 VanDerWaalsContact CB-NH2 3.3Å; E626-R664 IonicContact OE2-CZ 3.87Å; E626-R664 IonicContact OE2-NE 3.14Å; E626-R664 IonicContact OE2-NH1 2.7Å; E626-R664 PolarHBondContact OE2-NH1 2.87Å; E626-R664 VanDerWaalsContact OE2-NH1 3.14Å; E626-S665 WeakPolarHBondContact OE1-CB 3.42Å; E626-S665 PolarHBondContact OE1-OG 2.84Å; E626-S665 PolarHBondContact OE2-N 3.31Å; E626-S665 PolarHBondContact OE2-OG 2.98Å; E626-N666 PolarHBondContact O-ND2 2.92Å
627Q94.8Very high97Very high113 Ų11337.9 Ų37.953%0.52822%0.222SC..SBendtrans-81.7128-173.5-63.9-61.7-3800110.1Y631Q627-Y631 PolarHBondContact O-OH 2.85Å
628P96Very high97Very high84 Ų8436.1 Ų36.155%0.54521%0.209SC..  trans-71.7166171.632.6-35.1000110.4T656P628-T656 WeakPolarHBondContact CA-OG1 3.45Å
629G95.4Very high97Very high37 Ų3734.7 Ų34.738%0.38120%0.204SC..SBendtrans127.4-156.2178.500000113.2T656G629-T656 PolarHBondContact N-OG1 3.27Å; G629-T656 WeakPolarHBondContact O-CG2 3.28Å; G629-T656 PolarHBondContact O-N 3.05Å; G629-T656 PolarHBondContact O-OG1 3.02Å
630T97Very high97.1Very high48 Ų4832.5 Ų32.529%0.29419%0.19SC..EExtended strand (participates in β ladder)trans-115.7134.5-179.7-56.20000108.9L653 H654 Y683T630-L653 HydrophobicContact CG2-CB 3.62Å; T630-L653 HydrophobicContact CG2-CD1 4.18Å; T630-L653 HydrophobicContact CG2-CD2 4.17Å; T630-L653 HydrophobicContact CG2-CG 4.2Å; T630-H654 CarbonylContact C-O 3.5Å; T630-H654 WeakPolarHBondContact CA-O 3.33Å; T630-Y683 VanDerWaalsContact O-CB 3.28Å; T630-Y683 WeakPolarHBondContact O-CB 3.36Å; T630-Y683 PolarHBondContact O-N 2.9Å
631Y97.4Very high97.2Very high1 Ų135.5 Ų35.50%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-112.3145.6-178.6-77.9-108.3000110.8Q627 H654 T656 L668 L680 A681 P682Q627-Y631 PolarHBondContact O-OH 2.85Å; Y631-H654 PolarHBondContact N-O 3.14Å; Y631-H654 PolarHBondContact O-N 3.4Å; Y631-T656 HydrophobicContact CD2-CG2 3.96Å; Y631-T656 HydrophobicContact CE2-CG2 3.79Å; Y631-L668 HydrophobicContact CD2-CD2 4.13Å; Y631-L668 HydrophobicContact CG-CD2 4.22Å; Y631-L680 HydrophobicContact CD1-CB 4Å; Y631-A681 CarbonylContact C-O 3.51Å; Y631-A681 VanDerWaalsContact CA-O 3.24Å; Y631-A681 WeakPolarHBondContact CA-O 3.42Å; Y631-P682 HydrophobicContact CD1-CG 4.39Å; Y631-P682 HydrophobicContact CE1-CG 3.81Å
632K96.7Very high97.2Very high75 Ų7535.3 Ų35.333%0.32619%0.191SC..EExtended strand (participates in β ladder)trans-124.8144.6177.1177.9-177.7174.8-169.60110L653 L680 A681 Y683 T686K632-L653 HydrophobicContact CB-CD2 4.05Å; K632-L653 HydrophobicContact CG-CD2 4.4Å; K632-L680 CarbonylContact O-C 3.6Å; K632-L680 WeakPolarHBondContact O-CA 3.45Å; K632-A681 PolarHBondContact N-O 2.91Å; K632-A681 PolarHBondContact O-N 3.22Å; K632-Y683 HydrophobicContact CB-CD2 4.11Å; K632-Y683 HydrophobicContact CD-CD2 4.19Å; K632-Y683 HydrophobicContact CD-CE2 4.24Å; K632-T686 HydrophobicContact CB-CG2 4.2Å; K632-T686 HydrophobicContact CD-CG2 4.38Å
633M97.3Very high97.2Very high11 Ų1133.2 Ų33.25%0.05419%0.186CC..EExtended strand (participates in β ladder)trans-71.3129.5176.8-164174-62.300111.1L635 N636 L648 F678 V679 L680M633-L635 WeakPolarHBondContact CG-O 3.44Å; M633-N636 HydrophobicContact CG-CB 4.35Å; M633-N636 HydrophobicContact SD-CB 3.56Å; M633-N636 VanDerWaalsContact SD-CB 3.56Å; M633-L648 HydrophobicContact CE-CB 4.19Å; M633-L648 HydrophobicContact CE-CD1 4.26Å; M633-L648 HydrophobicContact CE-CD2 4.4Å; M633-L648 HydrophobicContact SD-CB 4.34Å; M633-F678 HydrophobicContact CE-CB 4.18Å; M633-F678 HydrophobicContact CE-CD2 3.72Å; M633-F678 HydrophobicContact CE-CE2 4.3Å; M633-F678 HydrophobicContact CE-CG 4.02Å; M633-F678 HydrophobicContact CG-CB 4.25Å; M633-F678 HydrophobicContact SD-CB 3.94Å; M633-F678 HydrophobicContact SD-CG 4.42Å; M633-V679 WeakPolarHBondContact CA-O 3.27Å; M633-L680 HydrophobicContact CB-CD2 3.81Å; M633-L680 HydrophobicContact CE-CD2 4.27Å; M633-L680 HydrophobicContact CG-CD2 4.12Å
634I96.9Very high97.1Very high38 Ų3834.1 Ų34.120%0.19520%0.196CC..EExtended strand (participates in β ladder)trans-115-20.9-179.860.2158.7000112.8Y579 L606 V679 A681 T686Y579-I634 HydrophobicContact CD1-CD1 4.44Å; Y579-I634 HydrophobicContact CD2-CD1 3.5Å; Y579-I634 VanDerWaalsContact CD2-CD1 3.5Å; Y579-I634 HydrophobicContact CE1-CD1 4.27Å; Y579-I634 HydrophobicContact CE2-CB 4.16Å; Y579-I634 HydrophobicContact CE2-CD1 3.32Å; Y579-I634 HydrophobicContact CE2-CG1 4.33Å; Y579-I634 HydrophobicContact CE2-CG2 4.26Å; Y579-I634 HydrophobicContact CG-CD1 4.1Å; Y579-I634 VanDerWaalsContact OH-CG2 3.3Å; Y579-I634 WeakPolarHBondContact OH-CG2 3.35Å; L606-I634 HydrophobicContact CD1-CD1 4.07Å; L606-I634 HydrophobicContact CD2-CD1 4.03Å; I634-V679 HydrophobicContact CD1-CB 4.31Å; I634-V679 HydrophobicContact CD1-CG1 3.86Å; I634-V679 HydrophobicContact CG1-CB 3.92Å; I634-V679 HydrophobicContact CG1-CG1 3.93Å; I634-V679 WeakPolarHBondContact CG1-O 3.48Å; I634-V679 PolarHBondContact N-O 3.34Å; I634-A681 HydrophobicContact CD1-CB 4.18Å; I634-A681 HydrophobicContact CG1-CB 4.37Å; I634-A681 HydrophobicContact CG2-CB 3.61Å; I634-T686 HydrophobicContact CG2-CG2 3.63Å
635L97.8Very high97.1Very high11 Ų1138 Ų386%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-140.2138.3171.7-72176.4000108.5L510 W568 A571 A575 W581 M633 F678 V679L510-L635 HydrophobicContact CD1-CD1 4.3Å; W568-L635 HydrophobicContact CH2-CB 4.37Å; W568-L635 HydrophobicContact CZ3-CB 4.5Å; A571-L635 HydrophobicContact CB-CD2 4.08Å; A575-L635 HydrophobicContact CB-CD1 3.73Å; A575-L635 HydrophobicContact CB-CD2 3.94Å; A575-L635 HydrophobicContact CB-CG 3.92Å; W581-L635 HydrophobicContact CH2-CD1 4.3Å; M633-L635 WeakPolarHBondContact CG-O 3.44Å; L635-F678 CarbonylContact O-C 3.52Å; L635-F678 WeakPolarHBondContact O-CA 3.23Å; L635-F678 WeakPolarHBondContact O-CB 3.4Å; L635-V679 HydrophobicContact CB-CB 4.09Å; L635-V679 HydrophobicContact CB-CG2 4Å; L635-V679 HydrophobicContact CD1-CG2 4.04Å; L635-V679 PolarHBondContact O-N 3.16Å
636N98Very high97.1Very high7 Ų743 Ų434%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-140.6104.8-178.9177.97.1000109.4M633 D638 A639 F642 L648M633-N636 HydrophobicContact CG-CB 4.35Å; M633-N636 HydrophobicContact SD-CB 3.56Å; M633-N636 VanDerWaalsContact SD-CB 3.56Å; N636-D638 PolarHBondContact O-N 3.32Å; N636-D638 WeakPolarHBondContact OD1-CA 3.47Å; N636-D638 WeakPolarHBondContact OD1-CB 3.42Å; N636-D638 PolarHBondContact OD1-N 2.96Å; N636-A639 HydrophobicContact CB-CB 4.36Å; N636-A639 PolarHBondContact O-N 2.86Å; N636-F642 WeakPolarHBondContact O-CD2 3.35Å; N636-L648 PolarHBondContact ND2-O 2.91Å; N636-L648 WeakPolarHBondContact OD1-CD1 3.29Å
637S98.3Very high97.2Very high2 Ų244.2 Ų44.21%0.01424%0.242CC..THydrogen-bonded Turntrans-67.8-16.2178.678.40000113K506 A639 C677K506-S637 PolarHBondContact NZ-O 2.87Å; S637-A639 VanDerWaalsContact C-N 3.33Å; S637-C677 VanDerWaalsContact CB-O 3.24Å; S637-C677 WeakPolarHBondContact CB-O 3.34Å; S637-C677 VanDerWaalsContact CB-SG 3.59Å; S637-C677 PolarHBondContact N-O 3.38Å; S637-C677 PolarHBondContact OG-N 2.93Å; S637-C677 PolarHBondContact OG-O 2.87Å; S637-C677 VanDerWaalsContact OG-O 3.11Å
638D98.3Very high97.2Very high4 Ų439.3 Ų39.32%0.02122%0.22CC..THydrogen-bonded Turntrans-87.70.2-178.9-15645.2000113.1N636 G644 H645 D646 R647 L648 T676N636-D638 PolarHBondContact O-N 3.32Å; N636-D638 WeakPolarHBondContact OD1-CA 3.47Å; N636-D638 WeakPolarHBondContact OD1-CB 3.42Å; N636-D638 PolarHBondContact OD1-N 2.96Å; D638-G644 CarbonylContact O-C 3.59Å; D638-G644 VanDerWaalsContact O-C 3.26Å; D638-G644 VanDerWaalsContact O-CA 3.3Å; D638-G644 WeakPolarHBondContact O-CA 3.45Å; D638-H645 PolarHBondContact O-N 3.17Å; D638-H645 VanDerWaalsContact O-N 3.09Å; D638-H645 IonicContact OD1-CD2 2.78Å; D638-H645 PolarHBondContact OD1-N 2.87Å; D638-D646 PolarHBondContact O-N 2.68Å; D638-R647 IonicContact OD1-CZ 3.16Å; D638-R647 IonicContact OD1-NE 3.07Å; D638-R647 IonicContact OD1-NH2 3.57Å; D638-R647 PolarHBondContact OD1-NH2 3.28Å; D638-R647 VanDerWaalsContact OD2-CB 3.23Å; D638-R647 WeakPolarHBondContact OD2-CB 3.45Å; D638-R647 WeakPolarHBondContact OD2-CG 3.38Å; D638-R647 IonicContact OD2-CZ 2.77Å; D638-R647 PolarHBondContact OD2-N 3.14Å; D638-R647 IonicContact OD2-NE 3.41Å; D638-R647 PolarHBondContact OD2-NE 3.34Å; D638-R647 IonicContact OD2-NH2 3.42Å; D638-L648 HydrophobicContact CB-CD1 4.26Å; D638-T676 HydrophobicContact CB-CG2 3.81Å
639A97.9Very high97.1Very high5 Ų540.1 Ų40.14%0.04122%0.22CC..SBendtrans-68147179.200000112.2N636 S637 E641 F642 G643 G644N636-A639 HydrophobicContact CB-CB 4.36Å; N636-A639 PolarHBondContact O-N 2.86Å; S637-A639 VanDerWaalsContact C-N 3.33Å; A639-E641 VanDerWaalsContact C-N 3.3Å; A639-E641 HydrophobicContact CB-CG 4.34Å; A639-E641 WeakPolarHBondContact CB-OE2 3.28Å; A639-E641 PolarHBondContact O-N 2.88Å; A639-F642 HydrophobicContact CB-CD2 3.83Å; A639-F642 HydrophobicContact CB-CE2 4.16Å; A639-F642 PolarHBondContact O-N 2.91Å; A639-G643 PolarHBondContact O-N 3.31Å; A639-G644 PolarHBondContact O-N 3.07Å; A639-G644 VanDerWaalsContact O-N 3.09Å
640P97.1Very high96.7Very high62 Ų6240.8 Ų40.840%0.40322%0.218SC..G310 helixtrans-56-37.3-178.2-2733.6000115F642 G643 D646P640-F642 PolarHBondContact O-N 3.5Å; P640-G643 PolarHBondContact O-N 2.73Å; P640-D646 WeakPolarHBondContact CD-OD1 3.15Å; P640-D646 HydrophobicContact CG-CB 3.79Å
641E97Very high96.4Very high107 Ų10740.9 Ų40.950%0.523%0.229SC..G310 helixtrans-64.3-19178.461.9-92.6-141.700113.1F564 A639F564-E641 WeakPolarHBondContact CD1-O 3.3Å; A639-E641 VanDerWaalsContact C-N 3.3Å; A639-E641 HydrophobicContact CB-CG 4.34Å; A639-E641 WeakPolarHBondContact CB-OE2 3.28Å; A639-E641 PolarHBondContact O-N 2.88Å
642F98Very high96.1Very high18 Ų1845 Ų458%0.07925%0.251CS..G310 helixtrans-105.912.6173.9-48.7-51.1000112K506 E567 W568 A571 N636 A639 P640 G644K506-F642 HydrophobicContact CD-CB 4.07Å; K506-F642 PolarHBondContact NZ-O 3.16Å; E567-F642 HydrophobicContact CB-CD1 4.13Å; E567-F642 HydrophobicContact CB-CE1 4.12Å; E567-F642 WeakPolarHBondContact O-CE1 3.31Å; W568-F642 HydrophobicContact CB-CB 4.43Å; W568-F642 HydrophobicContact CB-CD1 3.86Å; W568-F642 HydrophobicContact CB-CE1 4.49Å; W568-F642 HydrophobicContact CB-CG 4.27Å; W568-F642 HydrophobicContact CE3-CB 4.39Å; W568-F642 HydrophobicContact CE3-CD1 4.15Å; W568-F642 AromaticContact CE3-CD2 3.7Å; W568-F642 HydrophobicContact CE3-CD2 3.7Å; W568-F642 HydrophobicContact CE3-CE1 4.37Å; W568-F642 AromaticContact CE3-CE2 3.94Å; W568-F642 HydrophobicContact CE3-CE2 3.94Å; W568-F642 AromaticContact CE3-CG 3.8Å; W568-F642 HydrophobicContact CE3-CG 3.8Å; W568-F642 HydrophobicContact CE3-CZ 4.27Å; W568-F642 HydrophobicContact CZ3-CD2 4.08Å; W568-F642 HydrophobicContact CZ3-CE2 4.18Å; A571-F642 HydrophobicContact CB-CE1 3.88Å; A571-F642 HydrophobicContact CB-CZ 3.64Å; N636-F642 WeakPolarHBondContact O-CD2 3.35Å; A639-F642 HydrophobicContact CB-CD2 3.83Å; A639-F642 HydrophobicContact CB-CE2 4.16Å; A639-F642 PolarHBondContact O-N 2.91Å; P640-F642 PolarHBondContact O-N 3.5Å; F642-G644 VanDerWaalsContact C-N 3.34Å
643G96.9Very high96.1Very high14 Ų1445.8 Ų45.814%0.14426%0.259CS..THydrogen-bonded Turntrans70.327.9178.700000113.8A639 P640A639-G643 PolarHBondContact O-N 3.31Å; P640-G643 PolarHBondContact O-N 2.73Å
644G97.4Very high96Very high20 Ų2046.6 Ų46.621%0.20626%0.262CS..  trans-89-169.6170.900000113.5D638 A639 F642D638-G644 CarbonylContact O-C 3.59Å; D638-G644 VanDerWaalsContact O-C 3.26Å; D638-G644 VanDerWaalsContact O-CA 3.3Å; D638-G644 WeakPolarHBondContact O-CA 3.45Å; A639-G644 PolarHBondContact O-N 3.07Å; A639-G644 VanDerWaalsContact O-N 3.09Å; F642-G644 VanDerWaalsContact C-N 3.34Å
645H97.7Very high96Very high83 Ų8348.1 Ų48.138%0.38428%0.276SS..  trans-105.16.9-172.1-62.7-89.1000114.7D499 D638 R647D499-H645 VanDerWaalsContact CG-NE2 3.26Å; D499-H645 IonicContact OD1-CD2 2.84Å; D499-H645 IonicContact OD1-CE1 3.6Å; D499-H645 IonicContact OD1-NE2 3.18Å; D499-H645 PolarHBondContact OD1-NE2 2.88Å; D499-H645 IonicContact OD2-CE1 3.5Å; D499-H645 PolarHBondContact OD2-CE1 3.43Å; D499-H645 IonicContact OD2-NE2 2.73Å; D499-H645 PolarHBondContact OD2-NE2 3.17Å; D638-H645 PolarHBondContact O-N 3.17Å; D638-H645 VanDerWaalsContact O-N 3.09Å; D638-H645 IonicContact OD1-CD2 2.78Å; D638-H645 PolarHBondContact OD1-N 2.87Å; H645-R647 VanDerWaalsContact C-N 3.34Å; H645-R647 HydrophobicContact CB-CG 4Å; H645-R647 PolarHBondContact O-N 3.04Å
646D97.2Very high96Very high105 Ų10548.8 Ų48.856%0.56128%0.281SS*.  trans58.337.6176.1-15526.6000114.8D638 P640D638-D646 PolarHBondContact O-N 2.68Å; P640-D646 WeakPolarHBondContact CD-OD1 3.15Å; P640-D646 HydrophobicContact CG-CB 3.79Å
647R97.3Very high96Very high83 Ų8352.8 Ų52.831%0.31330%0.298SS..  trans-89.9-8.1-176.1-58.2167-71.9-170.9-6.4113.3D638 H645 Y671 P673D638-R647 IonicContact OD1-CZ 3.16Å; D638-R647 IonicContact OD1-NE 3.07Å; D638-R647 IonicContact OD1-NH2 3.57Å; D638-R647 PolarHBondContact OD1-NH2 3.28Å; D638-R647 VanDerWaalsContact OD2-CB 3.23Å; D638-R647 WeakPolarHBondContact OD2-CB 3.45Å; D638-R647 WeakPolarHBondContact OD2-CG 3.38Å; D638-R647 IonicContact OD2-CZ 2.77Å; D638-R647 PolarHBondContact OD2-N 3.14Å; D638-R647 IonicContact OD2-NE 3.41Å; D638-R647 PolarHBondContact OD2-NE 3.34Å; D638-R647 IonicContact OD2-NH2 3.42Å; H645-R647 VanDerWaalsContact C-N 3.34Å; H645-R647 HydrophobicContact CB-CG 4Å; H645-R647 PolarHBondContact O-N 3.04Å; R647-Y671 HydrophobicContact CB-CE1 4.02Å; R647-Y671 WeakPolarHBondContact O-CE1 2.88Å; R647-P673 HydrophobicContact CB-CG 4.16Å
648L95.9Very high95.9Very high11 Ų1157.3 Ų57.36%0.05833%0.327CS..SBendtrans-115.3113.4-177-68.3173000110.1M633 N636 D638 S650 Y671 P673 F678M633-L648 HydrophobicContact CE-CB 4.19Å; M633-L648 HydrophobicContact CE-CD1 4.26Å; M633-L648 HydrophobicContact CE-CD2 4.4Å; M633-L648 HydrophobicContact SD-CB 4.34Å; N636-L648 PolarHBondContact ND2-O 2.91Å; N636-L648 WeakPolarHBondContact OD1-CD1 3.29Å; D638-L648 HydrophobicContact CB-CD1 4.26Å; L648-S650 PolarHBondContact O-N 3.22Å; L648-Y671 HydrophobicContact CD2-CD1 3.85Å; L648-Y671 HydrophobicContact CD2-CG 4.4Å; L648-Y671 WeakPolarHBondContact CD2-O 3.15Å; L648-P673 HydrophobicContact CD1-CG 4.28Å; L648-P673 HydrophobicContact CD2-CG 4.06Å; L648-P673 HydrophobicContact CG-CG 3.98Å; L648-F678 HydrophobicContact CD1-CB 4.46Å; L648-F678 HydrophobicContact CD1-CD1 3.67Å; L648-F678 HydrophobicContact CD1-CE1 4.13Å; L648-F678 HydrophobicContact CD1-CG 4.17Å
649D93.4Very high95.8Very high100 Ų10064.6 Ų64.654%0.53536%0.355SS..  trans-77.1112.5172172.911.3000110.2G651 N652D649-G651 PolarHBondContact O-N 3.24Å; D649-G651 WeakPolarHBondContact OD1-CA 3.41Å; D649-G651 PolarHBondContact OD1-N 2.64Å; D649-N652 WeakPolarHBondContact O-CB 3.46Å; D649-N652 PolarHBondContact O-N 3.01Å; D649-N652 VanDerWaalsContact O-N 3.13Å
650S87.2Confident95.8Very high51 Ų5171 Ų7136%0.35739%0.385SS..THydrogen-bonded Turntrans-69.4-13.6-178.2-57.50000113.3L648 N652L648-S650 PolarHBondContact O-N 3.22Å; S650-N652 VanDerWaalsContact C-N 3.34Å
651G90.1Very high95.7Very high51 Ų5170.9 Ų70.953%0.52638%0.377SS..THydrogen-bonded Turntrans-78.9-14.8172.700000113.9D649D649-G651 PolarHBondContact O-N 3.24Å; D649-G651 WeakPolarHBondContact OD1-CA 3.41Å; D649-G651 PolarHBondContact OD1-N 2.64Å
652N92Very high95.6Very high87 Ų8767 Ų6747%0.46536%0.362SS..  trans-65.4136.2-179.4-81-35.8000112.2D649 S650D649-N652 WeakPolarHBondContact O-CB 3.46Å; D649-N652 PolarHBondContact O-N 3.01Å; D649-N652 VanDerWaalsContact O-N 3.13Å; S650-N652 VanDerWaalsContact C-N 3.34Å
653L95.6Very high95.5Very high92 Ų9271.8 Ų71.848%0.48239%0.389SS..EExtended strand (participates in β ladder)trans-102.8126.9177.1-64.8-177000109.9T630 K632 Y683T630-L653 HydrophobicContact CG2-CB 3.62Å; T630-L653 HydrophobicContact CG2-CD1 4.18Å; T630-L653 HydrophobicContact CG2-CD2 4.17Å; T630-L653 HydrophobicContact CG2-CG 4.2Å; K632-L653 HydrophobicContact CB-CD2 4.05Å; K632-L653 HydrophobicContact CG-CD2 4.4Å; L653-Y683 HydrophobicContact CD2-CD2 3.75Å; L653-Y683 HydrophobicContact CD2-CE2 3.96Å
654H96.5Very high95.6Very high28 Ų2872.6 Ų72.613%0.1339%0.388CS..EExtended strand (participates in β ladder)trans-100.7106.1179.6-61.6-90.2000109.6T630 Y631 L668 Y669 L680T630-H654 CarbonylContact C-O 3.5Å; T630-H654 WeakPolarHBondContact CA-O 3.33Å; Y631-H654 PolarHBondContact N-O 3.14Å; Y631-H654 PolarHBondContact O-N 3.4Å; H654-L668 HydrophobicContact CB-CD2 4.34Å; H654-Y669 PolarHBondContact ND1-O 2.85Å; H654-L680 HydrophobicContact CB-CD1 4.31Å
655S97.2Very high95.6Very high69 Ų6974.7 Ų74.748%0.48340%0.399SS..EExtended strand (participates in β ladder)trans-84.2140.4176.6-62.80000111.1
656T97.6Very high95.6Very high25 Ų2571.3 Ų71.315%0.15338%0.384CS..  trans-86.1153.8177.553.80000112.2V625 P628 G629 Y631 H667 L668V625-T656 HydrophobicContact CG2-CG2 3.54Å; P628-T656 WeakPolarHBondContact CA-OG1 3.45Å; G629-T656 PolarHBondContact N-OG1 3.27Å; G629-T656 WeakPolarHBondContact O-CG2 3.28Å; G629-T656 PolarHBondContact O-N 3.05Å; G629-T656 PolarHBondContact O-OG1 3.02Å; Y631-T656 HydrophobicContact CD2-CG2 3.96Å; Y631-T656 HydrophobicContact CE2-CG2 3.79Å; T656-H667 CarbonylContact C-O 3.54Å; T656-H667 VanDerWaalsContact CA-O 3.26Å; T656-H667 WeakPolarHBondContact CA-O 3.1Å; T656-L668 HydrophobicContact CG2-CB 4.35Å; T656-L668 HydrophobicContact CG2-CD2 4.29Å
657F97.9Very high95.6Very high92 Ų9266.7 Ų66.740%0.40436%0.359SS..BIsolated β-bridgetrans-115.8134.6175-62.4-95000109.2Y659 N666 H667 Y669F657-Y659 HydrophobicContact CB-CD2 4.16Å; F657-Y659 PolarHBondContact O-N 2.77Å; F657-N666 WeakPolarHBondContact O-CA 3.45Å; F657-N666 WeakPolarHBondContact O-CB 3.31Å; F657-H667 VanDerWaalsContact CB-CE1 3.49Å; F657-H667 WeakPolarHBondContact CB-CE1 3.44Å; F657-H667 AromaticContact CD2-NE2 3.98Å; F657-H667 AromaticContact CG-NE2 3.91Å; F657-H667 PolarHBondContact N-O 3Å; F657-H667 PolarHBondContact O-N 2.8Å; F657-Y669 HydrophobicContact CD2-CD2 4.1Å; F657-Y669 HydrophobicContact CD2-CE2 4.01Å; F657-Y669 AromaticContact CE2-CD2 3.63Å; F657-Y669 HydrophobicContact CE2-CD2 3.63Å; F657-Y669 AromaticContact CE2-CE2 3.82Å; F657-Y669 HydrophobicContact CE2-CE2 3.82Å; F657-Y669 HydrophobicContact CZ-CD2 4.38Å; F657-Y669 HydrophobicContact CZ-CE2 4.38Å
658P96.4Very high95.6Very high96 Ų9662.8 Ų62.862%0.62334%0.344SS*.SBendtrans-82.655.6-171.936.2-38.5000112.4N666P658-N666 WeakPolarHBondContact CA-OD1 3.13Å
659Y96.2Very high95.7Very high157 Ų15767.1 Ų67.162%0.61636%0.36SS*.SBendtrans-134.4135.1175.8-56.1-80.1000109.9F657 S665 N666 H667F657-Y659 HydrophobicContact CB-CD2 4.16Å; F657-Y659 PolarHBondContact O-N 2.77Å; Y659-S665 CarbonylContact C-O 3.48Å; Y659-N666 CarbonylContact O-C 3.54Å; Y659-H667 PolarHBondContact O-ND1 2.73Å
660E96.4Very high95.9Very high141 Ų14162.5 Ų62.566%0.65934%0.336SS*.  trans-57.1136.8-179.1-167.8-171.1150.800111.7R664E660-R664 VanDerWaalsContact CA-O 3.26Å; E660-R664 WeakPolarHBondContact CA-O 3.32Å; E660-R664 WeakPolarHBondContact CG-O 3.28Å
661Y96.6Very high96.4Very high59 Ų5964.1 Ų64.123%0.23134%0.335CS..BIsolated β-bridgetrans-153132.9169.3-173.2-109.7000109.7W591 K622 N663 R664W591-Y661 HydrophobicContact CE3-CE1 4.34Å; W591-Y661 HydrophobicContact CH2-CE1 4.28Å; W591-Y661 AromaticContact CH2-CZ 3.8Å; W591-Y661 WeakPolarHBondContact CH2-OH 3.46Å; W591-Y661 WeakPolarHBondContact CZ2-OH 3.27Å; W591-Y661 HydrophobicContact CZ3-CE1 4.07Å; W591-Y661 AromaticContact CZ3-CZ 3.95Å; K622-Y661 HydrophobicContact CB-CE1 4.24Å; K622-Y661 HydrophobicContact CD-CD1 4.29Å; K622-Y661 HydrophobicContact CD-CD2 3.87Å; K622-Y661 HydrophobicContact CD-CE1 4.29Å; K622-Y661 HydrophobicContact CD-CE2 3.88Å; K622-Y661 HydrophobicContact CD-CG 4.07Å; K622-Y661 VanDerWaalsContact CE-CD2 3.49Å; K622-Y661 HydrophobicContact CG-CD1 3.97Å; K622-Y661 HydrophobicContact CG-CD2 4.45Å; K622-Y661 HydrophobicContact CG-CE1 3.91Å; K622-Y661 HydrophobicContact CG-CE2 4.4Å; K622-Y661 HydrophobicContact CG-CG 4.24Å; K622-Y661 VanDerWaalsContact O-CE1 3.29Å; K622-Y661 WeakPolarHBondContact O-CE1 3.44Å; Y661-N663 VanDerWaalsContact C-N 3.33Å; Y661-N663 PolarHBondContact O-N 3.3Å; Y661-R664 PolarHBondContact N-O 3.21Å; Y661-R664 VanDerWaalsContact N-O 3.1Å; Y661-R664 WeakPolarHBondContact O-CB 3.5Å; Y661-R664 PolarHBondContact O-N 2.83Å
662A94.8Very high96.8Very high24 Ų2461.7 Ų61.720%0.19831%0.31CS..THydrogen-bonded Turntrans52.545.1178.200000114.1S590 W591 R664S590-A662 WeakPolarHBondContact O-CB 3.48Å; W591-A662 HydrophobicContact CE3-CB 3.63Å; W591-A662 HydrophobicContact CZ3-CB 3.79Å; A662-R664 PolarHBondContact O-N 2.98Å
663N96.1Very high97.1Very high120 Ų12057.6 Ų57.664%0.64229%0.288SS*.THydrogen-bonded Turntrans6023.8-177-57.1-39.5000115Y588 Y661Y588-N663 WeakPolarHBondContact OH-CB 3.19Å; Y661-N663 VanDerWaalsContact C-N 3.33Å; Y661-N663 PolarHBondContact O-N 3.3Å
664R97.6Very high97.2Very high31 Ų3153.9 Ų53.912%0.11727%0.27CS..BIsolated β-bridgetrans-114.5144.6172.7-48.4-53.9-70.2158.5-26.7110E602 V625 E626 E660 Y661 A662 N666E602-R664 IonicContact OE1-NH2 3.9Å; E602-R664 IonicContact OE2-CZ 3.47Å; E602-R664 IonicContact OE2-NE 3.82Å; E602-R664 PolarHBondContact OE2-NE 3.02Å; E602-R664 IonicContact OE2-NH2 3.11Å; E602-R664 PolarHBondContact OE2-NH2 3.47Å; V625-R664 WeakPolarHBondContact O-CB 3.2Å; E626-R664 VanDerWaalsContact CB-NH2 3.3Å; E626-R664 IonicContact OE2-CZ 3.87Å; E626-R664 IonicContact OE2-NE 3.14Å; E626-R664 IonicContact OE2-NH1 2.7Å; E626-R664 PolarHBondContact OE2-NH1 2.87Å; E626-R664 VanDerWaalsContact OE2-NH1 3.14Å; E660-R664 VanDerWaalsContact CA-O 3.26Å; E660-R664 WeakPolarHBondContact CA-O 3.32Å; E660-R664 WeakPolarHBondContact CG-O 3.28Å; Y661-R664 PolarHBondContact N-O 3.21Å; Y661-R664 VanDerWaalsContact N-O 3.1Å; Y661-R664 WeakPolarHBondContact O-CB 3.5Å; Y661-R664 PolarHBondContact O-N 2.83Å; A662-R664 PolarHBondContact O-N 2.98Å; R664-N666 PolarHBondContact O-N 2.79Å
665S97.2Very high97.3Very high63 Ų6354.7 Ų54.744%0.44127%0.272SS..SBendtrans-64.9-24.8-175.7-64.20000114.5E626 Y659E626-S665 WeakPolarHBondContact OE1-CB 3.42Å; E626-S665 PolarHBondContact OE1-OG 2.84Å; E626-S665 PolarHBondContact OE2-N 3.31Å; E626-S665 PolarHBondContact OE2-OG 2.98Å; Y659-S665 CarbonylContact C-O 3.48Å
666N98Very high97.3Very high13 Ų1351.4 Ų51.47%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-132.4171.1-178.5-58.9-89.6000110.8G624 V625 E626 F657 P658 Y659 R664G624-N666 WeakPolarHBondContact CA-O 3.43Å; V625-N666 HydrophobicContact CG2-CB 4.04Å; V625-N666 PolarHBondContact N-O 2.78Å; V625-N666 CarbonylContact O-C 3.47Å; V625-N666 WeakPolarHBondContact O-CA 3.41Å; V625-N666 WeakPolarHBondContact O-CB 3.42Å; V625-N666 PolarHBondContact O-N 3.31Å; E626-N666 PolarHBondContact O-ND2 2.92Å; F657-N666 WeakPolarHBondContact O-CA 3.45Å; F657-N666 WeakPolarHBondContact O-CB 3.31Å; P658-N666 WeakPolarHBondContact CA-OD1 3.13Å; Y659-N666 CarbonylContact O-C 3.54Å; R664-N666 PolarHBondContact O-N 2.79Å
667H97.7Very high97.4Very high8 Ų850.2 Ų50.24%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-141.6163.7168.168.2-91.3000112.1K622 L623 T656 F657 Y659 Y669K622-H667 WeakPolarHBondContact CE-CD2 3.14Å; K622-H667 HydrophobicContact CG-CB 4.26Å; L623-H667 CarbonylContact O-C 3.29Å; L623-H667 WeakPolarHBondContact O-CA 3.27Å; L623-H667 VanDerWaalsContact O-CB 3.24Å; L623-H667 WeakPolarHBondContact O-CB 3.29Å; T656-H667 CarbonylContact C-O 3.54Å; T656-H667 VanDerWaalsContact CA-O 3.26Å; T656-H667 WeakPolarHBondContact CA-O 3.1Å; F657-H667 VanDerWaalsContact CB-CE1 3.49Å; F657-H667 WeakPolarHBondContact CB-CE1 3.44Å; F657-H667 AromaticContact CD2-NE2 3.98Å; F657-H667 AromaticContact CG-NE2 3.91Å; F657-H667 PolarHBondContact N-O 3Å; F657-H667 PolarHBondContact O-N 2.8Å; Y659-H667 PolarHBondContact O-ND1 2.73Å; H667-Y669 AromaticContact CD2-CE2 3.86Å; H667-Y669 AromaticContact NE2-CE2 3.76Å; H667-Y669 AromaticContact NE2-CZ 3.95Å
668L97.9Very high97.4Very high0 Ų045.9 Ų45.90%022%0.222CC..EExtended strand (participates in β ladder)trans-137.4171.2171.957.676.4000110.3L607 K622 L623 V625 Y631 H654 T656 V670 L680L607-L668 HydrophobicContact CD2-CD1 4.1Å; L607-L668 HydrophobicContact CD2-CD2 4.13Å; L607-L668 HydrophobicContact CD2-CG 4.41Å; K622-L668 WeakPolarHBondContact CA-O 3.31Å; L623-L668 HydrophobicContact CB-CD1 4.36Å; L623-L668 PolarHBondContact N-O 2.87Å; L623-L668 PolarHBondContact O-N 2.85Å; V625-L668 HydrophobicContact CG1-CD2 3.94Å; V625-L668 HydrophobicContact CG1-CG 4.28Å; V625-L668 HydrophobicContact CG2-CD2 4.26Å; V625-L668 HydrophobicContact CG2-CG 4.45Å; Y631-L668 HydrophobicContact CD2-CD2 4.13Å; Y631-L668 HydrophobicContact CG-CD2 4.22Å; H654-L668 HydrophobicContact CB-CD2 4.34Å; T656-L668 HydrophobicContact CG2-CB 4.35Å; T656-L668 HydrophobicContact CG2-CD2 4.29Å; L668-V670 HydrophobicContact CD1-CG1 3.42Å; L668-V670 VanDerWaalsContact CD1-CG1 3.42Å; L668-L680 HydrophobicContact CD1-CD1 4.4Å; L668-L680 HydrophobicContact CD2-CD1 4.32Å
669Y97.5Very high97.5Very high102 Ų10241.3 Ų41.340%0.419%0.193SC..EExtended strand (participates in β ladder)trans-116137.5176.1-65-82.3000110.6G620 Y621 K622 H654 F657 H667G620-Y669 VanDerWaalsContact O-CD1 3.29Å; G620-Y669 WeakPolarHBondContact O-CD1 3.14Å; Y621-Y669 WeakPolarHBondContact O-CA 3.18Å; K622-Y669 HydrophobicContact CB-CD1 4.03Å; K622-Y669 HydrophobicContact CB-CE1 3.73Å; K622-Y669 HydrophobicContact CD-CE1 4.28Å; K622-Y669 HydrophobicContact CG-CD1 4.46Å; K622-Y669 HydrophobicContact CG-CE1 3.96Å; H654-Y669 PolarHBondContact ND1-O 2.85Å; F657-Y669 HydrophobicContact CD2-CD2 4.1Å; F657-Y669 HydrophobicContact CD2-CE2 4.01Å; F657-Y669 AromaticContact CE2-CD2 3.63Å; F657-Y669 HydrophobicContact CE2-CD2 3.63Å; F657-Y669 AromaticContact CE2-CE2 3.82Å; F657-Y669 HydrophobicContact CE2-CE2 3.82Å; F657-Y669 HydrophobicContact CZ-CD2 4.38Å; F657-Y669 HydrophobicContact CZ-CE2 4.38Å; H667-Y669 AromaticContact CD2-CE2 3.86Å; H667-Y669 AromaticContact NE2-CE2 3.76Å; H667-Y669 AromaticContact NE2-CZ 3.95Å
670V97.5Very high97.6Very high4 Ų433.9 Ų33.92%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-128.8156.7177.7-600000111.1G620 Y621 L623 L668 A672 F678 L680G620-V670 CarbonylContact C-O 3.4Å; G620-V670 VanDerWaalsContact CA-O 3.28Å; G620-V670 WeakPolarHBondContact CA-O 3.42Å; G620-V670 PolarHBondContact N-O 2.92Å; Y621-V670 PolarHBondContact N-O 2.82Å; Y621-V670 PolarHBondContact O-N 2.79Å; L623-V670 HydrophobicContact CD1-CG1 4.42Å; L623-V670 HydrophobicContact CD1-CG2 3.71Å; L623-V670 HydrophobicContact CG-CG2 4.38Å; L668-V670 HydrophobicContact CD1-CG1 3.42Å; L668-V670 VanDerWaalsContact CD1-CG1 3.42Å; V670-A672 HydrophobicContact CG2-CB 4.47Å; V670-F678 HydrophobicContact CB-CE2 4.2Å; V670-F678 HydrophobicContact CB-CZ 4.01Å; V670-F678 HydrophobicContact CG1-CE2 4.15Å; V670-F678 HydrophobicContact CG1-CZ 4.43Å; V670-F678 HydrophobicContact CG2-CZ 4.07Å; V670-L680 HydrophobicContact CG1-CD1 4.09Å
671Y97.9Very high97.6Very high85 Ų8527.1 Ų27.133%0.33313%0.132SC..EExtended strand (participates in β ladder)trans-90.9124.9158.7172.7-139.8000107.6F618 P619 R647 L648 P673F618-Y671 WeakPolarHBondContact O-CA 3.49Å; P619-Y671 HydrophobicContact CB-CD2 4.46Å; R647-Y671 HydrophobicContact CB-CE1 4.02Å; R647-Y671 WeakPolarHBondContact O-CE1 2.88Å; L648-Y671 HydrophobicContact CD2-CD1 3.85Å; L648-Y671 HydrophobicContact CD2-CG 4.4Å; L648-Y671 WeakPolarHBondContact CD2-O 3.15Å; Y671-P673 HydrophobicContact CD1-CG 4.14Å; Y671-P673 HydrophobicContact CE1-CG 3.71Å; Y671-P673 HydrophobicContact CE2-CG 4.29Å; Y671-P673 WeakPolarHBondContact O-CD 3.48Å
672A97.5Very high97.5Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-119.691.2-179.600000110.3I598 N611 S617 F618 V670 F678I598-A672 HydrophobicContact CD1-CB 4.19Å; N611-A672 HydrophobicContact CB-CB 4.37Å; N611-A672 PolarHBondContact ND2-O 2.83Å; S617-A672 WeakPolarHBondContact CA-O 3.46Å; F618-A672 PolarHBondContact N-O 2.89Å; F618-A672 PolarHBondContact O-N 2.88Å; V670-A672 HydrophobicContact CG2-CB 4.47Å; A672-F678 HydrophobicContact CB-CE1 4.45Å
673P98.3Very high97.3Very high0 Ų030.3 Ų30.30%014%0.142CC..  trans-63.5151.7176.1-13.223.1000112.5N611 R647 L648 Y671 T676N611-P673 WeakPolarHBondContact CB-O 3.28Å; N611-P673 VanDerWaalsContact ND2-C 3.26Å; N611-P673 PolarHBondContact ND2-O 3.39Å; R647-P673 HydrophobicContact CB-CG 4.16Å; L648-P673 HydrophobicContact CD1-CG 4.28Å; L648-P673 HydrophobicContact CD2-CG 4.06Å; L648-P673 HydrophobicContact CG-CG 3.98Å; Y671-P673 HydrophobicContact CD1-CG 4.14Å; Y671-P673 HydrophobicContact CE1-CG 3.71Å; Y671-P673 HydrophobicContact CE2-CG 4.29Å; Y671-P673 WeakPolarHBondContact O-CD 3.48Å; P673-T676 HydrophobicContact CB-CG2 3.81Å; P673-T676 HydrophobicContact CG-CG2 4.18Å; P673-T676 PolarHBondContact O-OG1 3.31Å
674S98.4Very high96.9Very high15 Ų1529.9 Ų29.911%0.10515%0.148CC..THydrogen-bonded Turntrans-53.3137.6173.7161.10000111.7N611 N613 P614 T615 E616 S617 T676N611-S674 PolarHBondContact ND2-N 2.75Å; N613-S674 PolarHBondContact O-OG 3.34Å; P614-S674 VanDerWaalsContact C-OG 3.23Å; P614-S674 PolarHBondContact O-OG 3.22Å; P614-S674 VanDerWaalsContact O-OG 3.08Å; T615-S674 PolarHBondContact N-OG 3.48Å; E616-S674 WeakPolarHBondContact O-CA 3.23Å; E616-S674 WeakPolarHBondContact O-CB 3.4Å; S617-S674 PolarHBondContact OG-N 2.91Å; S674-T676 PolarHBondContact O-N 3.13Å
675R98.3Very high96.3Very high45 Ų4533.7 Ų33.717%0.1716%0.163CC..THydrogen-bonded Turntrans50.353.4-179.2-60.6-175.9178.4132.3-2113.7D437 A503 M507 N611 N613D437-R675 IonicContact OD2-CZ 2.87Å; D437-R675 IonicContact OD2-NE 3.21Å; D437-R675 IonicContact OD2-NH2 3.95Å; D437-R675 PolarHBondContact OD2-NH2 3.27Å; A503-R675 HydrophobicContact CB-CB 3.88Å; M507-R675 HydrophobicContact SD-CB 4.28Å; N611-R675 WeakPolarHBondContact O-CA 3.31Å; N611-R675 PolarHBondContact O-N 2.62Å; N613-R675 PolarHBondContact O-N 2.87Å
676T98.6Very high95.3Very high0 Ų034.5 Ų34.50%017%0.165CC..EExtended strand (participates in β ladder)trans-130.5152.6175.162.80000111.9N611 D638 P673 S674N611-T676 PolarHBondContact N-O 3.19Å; N611-T676 PolarHBondContact O-N 2.77Å; D638-T676 HydrophobicContact CB-CG2 3.81Å; P673-T676 HydrophobicContact CB-CG2 3.81Å; P673-T676 HydrophobicContact CG-CG2 4.18Å; P673-T676 PolarHBondContact O-OG1 3.31Å; S674-T676 PolarHBondContact O-N 3.13Å
677C98.5Very high95.2Very high0 Ų035.6 Ų35.60%017%0.17CC..EExtended strand (participates in β ladder)trans-131.9143.5163.6630000111M507 L510 I609 F610 S637M507-C677 HydrophobicContact CG-CB 4.05Å; L510-C677 HydrophobicContact CD2-CB 4.16Å; I609-C677 WeakPolarHBondContact O-CA 3.29Å; I609-C677 WeakPolarHBondContact O-CB 3.47Å; F610-C677 HydrophobicContact CD1-CB 3.29Å; F610-C677 HydrophobicContact CE1-CB 3.44Å; F610-C677 VanDerWaalsContact CE1-CB 3.44Å; F610-C677 HydrophobicContact CG-CB 3.98Å; F610-C677 HydrophobicContact CZ-CB 4.26Å; S637-C677 VanDerWaalsContact CB-O 3.24Å; S637-C677 WeakPolarHBondContact CB-O 3.34Å; S637-C677 VanDerWaalsContact CB-SG 3.59Å; S637-C677 PolarHBondContact N-O 3.38Å; S637-C677 PolarHBondContact OG-N 2.93Å; S637-C677 PolarHBondContact OG-O 2.87Å; S637-C677 VanDerWaalsContact OG-O 3.11Å
678F98.3Very high95Very high1 Ų137 Ų370%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-149.5157.7177.355-85.9000109.9I609 M633 L635 L648 V670 A672 L680I609-F678 HydrophobicContact CB-CD2 4.26Å; I609-F678 HydrophobicContact CB-CE1 4.13Å; I609-F678 HydrophobicContact CB-CE2 3.87Å; I609-F678 HydrophobicContact CB-CZ 3.8Å; I609-F678 HydrophobicContact CD1-CD2 3.79Å; I609-F678 HydrophobicContact CD1-CE2 3.58Å; I609-F678 HydrophobicContact CD1-CZ 4.36Å; I609-F678 HydrophobicContact CG1-CD2 4.4Å; I609-F678 HydrophobicContact CG1-CE2 3.86Å; I609-F678 HydrophobicContact CG1-CZ 4.16Å; I609-F678 HydrophobicContact CG2-CE1 3.98Å; I609-F678 HydrophobicContact CG2-CE2 4.28Å; I609-F678 HydrophobicContact CG2-CZ 3.71Å; I609-F678 PolarHBondContact N-O 3.26Å; I609-F678 PolarHBondContact O-N 3.12Å; M633-F678 HydrophobicContact CE-CB 4.18Å; M633-F678 HydrophobicContact CE-CD2 3.72Å; M633-F678 HydrophobicContact CE-CE2 4.3Å; M633-F678 HydrophobicContact CE-CG 4.02Å; M633-F678 HydrophobicContact CG-CB 4.25Å; M633-F678 HydrophobicContact SD-CB 3.94Å; M633-F678 HydrophobicContact SD-CG 4.42Å; L635-F678 CarbonylContact O-C 3.52Å; L635-F678 WeakPolarHBondContact O-CA 3.23Å; L635-F678 WeakPolarHBondContact O-CB 3.4Å; L648-F678 HydrophobicContact CD1-CB 4.46Å; L648-F678 HydrophobicContact CD1-CD1 3.67Å; L648-F678 HydrophobicContact CD1-CE1 4.13Å; L648-F678 HydrophobicContact CD1-CG 4.17Å; V670-F678 HydrophobicContact CB-CE2 4.2Å; V670-F678 HydrophobicContact CB-CZ 4.01Å; V670-F678 HydrophobicContact CG1-CE2 4.15Å; V670-F678 HydrophobicContact CG1-CZ 4.43Å; V670-F678 HydrophobicContact CG2-CZ 4.07Å; A672-F678 HydrophobicContact CB-CE1 4.45Å; F678-L680 HydrophobicContact CD2-CD2 4.06Å; F678-L680 HydrophobicContact CD2-CG 4.33Å; F678-L680 HydrophobicContact CE2-CD2 4.43Å; F678-L680 HydrophobicContact CE2-CG 4.49Å
679V98.2Very high94.9Very high0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-125.1130.1-175.5-171.80000108.7L510 L606 L607 F608 M633 I634 L635L510-V679 HydrophobicContact CD2-CG2 4.03Å; L606-V679 HydrophobicContact CB-CG1 4.02Å; L606-V679 HydrophobicContact CD1-CG1 4.1Å; L607-V679 WeakPolarHBondContact O-CA 3.24Å; F608-V679 HydrophobicContact CD1-CB 4.31Å; F608-V679 HydrophobicContact CD1-CG1 3.94Å; F608-V679 HydrophobicContact CD1-CG2 3.41Å; F608-V679 VanDerWaalsContact CD1-CG2 3.41Å; F608-V679 HydrophobicContact CD2-CG1 4.48Å; F608-V679 HydrophobicContact CE1-CB 4.4Å; F608-V679 HydrophobicContact CE1-CG1 3.81Å; F608-V679 HydrophobicContact CE1-CG2 3.62Å; F608-V679 HydrophobicContact CE2-CG1 4.38Å; F608-V679 HydrophobicContact CG-CG1 4.27Å; F608-V679 HydrophobicContact CG-CG2 4.27Å; F608-V679 HydrophobicContact CZ-CG1 4.04Å; M633-V679 WeakPolarHBondContact CA-O 3.27Å; I634-V679 HydrophobicContact CD1-CB 4.31Å; I634-V679 HydrophobicContact CD1-CG1 3.86Å; I634-V679 HydrophobicContact CG1-CB 3.92Å; I634-V679 HydrophobicContact CG1-CG1 3.93Å; I634-V679 WeakPolarHBondContact CG1-O 3.48Å; I634-V679 PolarHBondContact N-O 3.34Å; L635-V679 HydrophobicContact CB-CB 4.09Å; L635-V679 HydrophobicContact CB-CG2 4Å; L635-V679 HydrophobicContact CD1-CG2 4.04Å; L635-V679 PolarHBondContact O-N 3.16Å
680L98Very high94.7Very high0 Ų035.4 Ų35.40%017%0.174CC..EExtended strand (participates in β ladder)trans-107.6134176.3-54.5-174.5000110.1L606 L607 I609 Y631 K632 M633 H654 L668 V670 F678L606-L680 WeakPolarHBondContact CA-O 3.34Å; L607-L680 HydrophobicContact CB-CB 4.37Å; L607-L680 HydrophobicContact CD2-CD1 4.31Å; L607-L680 PolarHBondContact N-O 3.14Å; L607-L680 PolarHBondContact O-N 2.76Å; I609-L680 HydrophobicContact CD1-CD1 4.17Å; I609-L680 HydrophobicContact CD1-CG 3.87Å; Y631-L680 HydrophobicContact CD1-CB 4Å; K632-L680 CarbonylContact O-C 3.6Å; K632-L680 WeakPolarHBondContact O-CA 3.45Å; M633-L680 HydrophobicContact CB-CD2 3.81Å; M633-L680 HydrophobicContact CE-CD2 4.27Å; M633-L680 HydrophobicContact CG-CD2 4.12Å; H654-L680 HydrophobicContact CB-CD1 4.31Å; L668-L680 HydrophobicContact CD1-CD1 4.4Å; L668-L680 HydrophobicContact CD2-CD1 4.32Å; V670-L680 HydrophobicContact CG1-CD1 4.09Å; F678-L680 HydrophobicContact CD2-CD2 4.06Å; F678-L680 HydrophobicContact CD2-CG 4.33Å; F678-L680 HydrophobicContact CE2-CD2 4.43Å; F678-L680 HydrophobicContact CE2-CG 4.49Å
681A97Very high94.5Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-112149.6171.400000110.3Y579 L606 Y631 K632 I634 Y683 T686Y579-A681 HydrophobicContact CE1-CB 4.03Å; L606-A681 HydrophobicContact CD2-CB 3.49Å; L606-A681 VanDerWaalsContact CD2-CB 3.49Å; Y631-A681 CarbonylContact C-O 3.51Å; Y631-A681 VanDerWaalsContact CA-O 3.24Å; Y631-A681 WeakPolarHBondContact CA-O 3.42Å; K632-A681 PolarHBondContact N-O 2.91Å; K632-A681 PolarHBondContact O-N 3.22Å; I634-A681 HydrophobicContact CD1-CB 4.18Å; I634-A681 HydrophobicContact CG1-CB 4.37Å; I634-A681 HydrophobicContact CG2-CB 3.61Å; A681-Y683 PolarHBondContact O-N 3.41Å; A681-T686 HydrophobicContact CB-CG2 3.7Å
682P95.2Very high94.3Very high22 Ų2234.1 Ų34.114%0.14317%0.174CC..EExtended strand (participates in β ladder)trans-54.9132.4166.9-23.233.1000109.8G605 Y631 S684 R685G605-P682 VanDerWaalsContact O-CD 3.28Å; G605-P682 WeakPolarHBondContact O-CD 3.4Å; Y631-P682 HydrophobicContact CD1-CG 4.39Å; Y631-P682 HydrophobicContact CE1-CG 3.81Å; P682-S684 PolarHBondContact O-N 3.25Å; P682-R685 WeakPolarHBondContact O-CB 3.21Å; P682-R685 PolarHBondContact O-N 3.23Å
683Y90.5Very high94.1Very high127 Ų12736.6 Ų36.650%0.49819%0.186SC..G310 helixtrans-56.6-26.5-175.6-173.8-102.6000113T630 K632 L653 A681 R685 T686T630-Y683 VanDerWaalsContact O-CB 3.28Å; T630-Y683 WeakPolarHBondContact O-CB 3.36Å; T630-Y683 PolarHBondContact O-N 2.9Å; K632-Y683 HydrophobicContact CB-CD2 4.11Å; K632-Y683 HydrophobicContact CD-CD2 4.19Å; K632-Y683 HydrophobicContact CD-CE2 4.24Å; L653-Y683 HydrophobicContact CD2-CD2 3.75Å; L653-Y683 HydrophobicContact CD2-CE2 3.96Å; A681-Y683 PolarHBondContact O-N 3.41Å; Y683-R685 PolarHBondContact O-N 3.45Å; Y683-T686 PolarHBondContact O-N 2.63Å; Y683-T686 PolarHBondContact O-OG1 2.9Å
684S87.5Confident93.8Very high111 Ų11139.4 Ų39.478%0.77620%0.2SC*.G310 helixtrans-68.5-10.5174.6620000114.7P682P682-S684 PolarHBondContact O-N 3.25Å
685R84.1Confident93.4Very high112 Ų11241.4 Ų41.442%0.42321%0.208SC..G310 helixtrans-110.6-5.1179.1-67.6-172.363.9-172.7-3.4113.4Y579 A604 P682 Y683Y579-R685 HydrophobicContact CE1-CB 4.48Å; A604-R685 PolarHBondContact O-NH1 3.18Å; P682-R685 WeakPolarHBondContact O-CB 3.21Å; P682-R685 PolarHBondContact O-N 3.23Å; Y683-R685 PolarHBondContact O-N 3.45Å
686T76.5Confident92.9Very high79 Ų7941.1 Ų41.149%0.48521%0.212SC..  trans-99.70176.264.10000110.1K632 I634 A681 Y683K632-T686 HydrophobicContact CB-CG2 4.2Å; K632-T686 HydrophobicContact CD-CG2 4.38Å; I634-T686 HydrophobicContact CG2-CG2 3.63Å; A681-T686 HydrophobicContact CB-CG2 3.7Å; Y683-T686 PolarHBondContact O-N 2.63Å; Y683-T686 PolarHBondContact O-OG1 2.9Å

Retrieved 686 of 686 residues in 541.4 ms (Link to these results)

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