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Ethanolamine-phosphate phospho-lyase

Catalyzes the pyridoxal-phosphate-dependent breakdown of phosphoethanolamine, converting it to ammonia, inorganic phosphate and acetaldehyde.

AlphaFold DB , UniProt , Accession A0A093ICI4, Species STRCA (Struthio camelus australis), Gene n/a, Length 501 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
1M59.2Low88.1Confident248 Ų248105.5 Ų105.5100%1.22259%0.59SS**  0149.70-58.3-179.4-148.800107.2
2G70.6Confident88.8Confident75 Ų75101.5 Ų101.577%0.77358%0.581SS**PPolyproline II helixtrans-73.5166.6177.400000112.6
3E81.7Confident89.4Confident187 Ų18798.2 Ų98.287%0.87456%0.56SS**PPolyproline II helixtrans-63.1147.9173.8-66.8-173.8155.800111.6Y5E3-Y5 PolarHBondContact O-N 3.24Å
4P88Confident89.8Confident118 Ų11897.8 Ų97.877%0.76654%0.544SS*.PPolyproline II helixtrans-69129.6177.4-16.230.6000111.9
5Y94.6Very high90.2Very high142 Ų142103.6 Ų103.656%0.55756%0.562SS**PPolyproline II helixtrans-56.2148.3170.5-59.9-61.8000112.3E3 L13 K32E3-Y5 PolarHBondContact O-N 3.24Å; Y5-L13 HydrophobicContact CD1-CD1 4.16Å; Y5-L13 HydrophobicContact CD2-CD1 3.92Å; Y5-L13 HydrophobicContact CE1-CD1 4.05Å; Y5-L13 HydrophobicContact CE2-CD1 3.78Å; Y5-L13 HydrophobicContact CG-CD1 4.11Å; Y5-K32 WeakPolarHBondContact O-CE 3.41Å; Y5-K32 PolarHBondContact O-NZ 2.78Å
6S95.3Very high90.7Very high55 Ų55107.3 Ų107.339%0.38557%0.571SS.*PPolyproline II helixtrans-63.2167.5168.969.10000112.5A8 E9 T10S6-A8 VanDerWaalsContact C-N 3.34Å; S6-A8 PolarHBondContact O-N 2.99Å; S6-E9 WeakPolarHBondContact CB-OE2 3.41Å; S6-E9 PolarHBondContact N-OE2 3.31Å; S6-E9 PolarHBondContact O-N 3.18Å; S6-E9 VanDerWaalsContact OG-CD 3.31Å; S6-E9 VanDerWaalsContact OG-CG 3.29Å; S6-E9 WeakPolarHBondContact OG-CG 3.35Å; S6-E9 PolarHBondContact OG-N 3.27Å; S6-E9 PolarHBondContact OG-OE2 3.33Å; S6-T10 VanDerWaalsContact O-CB 3.31Å; S6-T10 WeakPolarHBondContact O-CB 2.92Å; S6-T10 PolarHBondContact O-N 3.03Å; S6-T10 PolarHBondContact O-OG1 2.99Å
7K95.5Very high91.1Very high60 Ų60108.1 Ų108.126%0.26157%0.57SS.*Hα-helixtrans-55.4-45.9172.8-169.8171.8168.6171.30112.9T10 L11 D29 P30 K32 E44K7-T10 PolarHBondContact O-N 2.87Å; K7-L11 HydrophobicContact CG-CD1 4.37Å; K7-L11 WeakPolarHBondContact O-CG 3.29Å; K7-L11 PolarHBondContact O-N 3.44Å; K7-D29 IonicContact NZ-OD1 3.96Å; K7-D29 PolarHBondContact NZ-OD1 2.93Å; K7-D29 IonicContact NZ-OD2 2.71Å; K7-P30 WeakPolarHBondContact CE-O 3.4Å; K7-P30 PolarHBondContact NZ-O 3.09Å; K7-K32 HydrophobicContact CB-CD 4.33Å; K7-K32 HydrophobicContact CG-CB 4.48Å; K7-E44 WeakPolarHBondContact CB-OE1 3.33Å; K7-E44 WeakPolarHBondContact CD-OE1 3.38Å
8A95.8Very high91.4Very high73 Ų73106.7 Ų106.760%0.60356%0.562SS**Hα-helixtrans-64.7-46.5-178.400000111.8S6 L11 A12S6-A8 VanDerWaalsContact C-N 3.34Å; S6-A8 PolarHBondContact O-N 2.99Å; A8-L11 PolarHBondContact O-N 3.43Å; A8-A12 PolarHBondContact O-N 3.4Å
9E96.8Very high91.7Very high99 Ų99102.9 Ų102.946%0.46355%0.552SS.*Hα-helixtrans-64.9-42.1176.1-68164.312200111.7S6 L11 A12 L13S6-E9 WeakPolarHBondContact CB-OE2 3.41Å; S6-E9 PolarHBondContact N-OE2 3.31Å; S6-E9 PolarHBondContact O-N 3.18Å; S6-E9 VanDerWaalsContact OG-CD 3.31Å; S6-E9 VanDerWaalsContact OG-CG 3.29Å; S6-E9 WeakPolarHBondContact OG-CG 3.35Å; S6-E9 PolarHBondContact OG-N 3.27Å; S6-E9 PolarHBondContact OG-OE2 3.33Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.1Å; E9-A12 PolarHBondContact O-N 2.76Å; E9-A12 VanDerWaalsContact O-N 3.17Å; E9-L13 WeakPolarHBondContact O-CB 3.48Å; E9-L13 WeakPolarHBondContact O-CG 3.34Å; E9-L13 PolarHBondContact O-N 2.73Å
10T96.4Very high91.8Very high50 Ų50103.6 Ų103.631%0.30756%0.562SS.*Hα-helixtrans-56.7-43.4175.5-55.20000110.7S6 K7 R14 K32S6-T10 VanDerWaalsContact O-CB 3.31Å; S6-T10 WeakPolarHBondContact O-CB 2.92Å; S6-T10 PolarHBondContact O-N 3.03Å; S6-T10 PolarHBondContact O-OG1 2.99Å; K7-T10 PolarHBondContact O-N 2.87Å; T10-R14 VanDerWaalsContact O-CB 3.32Å; T10-R14 WeakPolarHBondContact O-CB 3.4Å; T10-R14 PolarHBondContact O-N 3.02Å; T10-K32 PolarHBondContact OG1-NZ 3.45Å
11L95.3Very high91.8Very high53 Ų53103.4 Ų103.428%0.27757%0.568SS.*Hα-helixtrans-70.1-38.1177-71.5171.1000112.9K7 A8 E9 R14 K15 P30K7-L11 HydrophobicContact CG-CD1 4.37Å; K7-L11 WeakPolarHBondContact O-CG 3.29Å; K7-L11 PolarHBondContact O-N 3.44Å; A8-L11 PolarHBondContact O-N 3.43Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.1Å; L11-R14 PolarHBondContact O-N 2.99Å; L11-K15 WeakPolarHBondContact O-CG 3.48Å; L11-K15 PolarHBondContact O-N 3.36Å; L11-P30 HydrophobicContact CD2-CB 4.32Å; L11-P30 HydrophobicContact CD2-CG 4.05Å
12A96.4Very high93.4Very high58 Ų5894.8 Ų94.848%0.47953%0.532SS..Hα-helixtrans-65.5-47.3176.100000111.7A8 E9 R14 K15 K16A8-A12 PolarHBondContact O-N 3.4Å; E9-A12 PolarHBondContact O-N 2.76Å; E9-A12 VanDerWaalsContact O-N 3.17Å; A12-R14 VanDerWaalsContact C-N 3.35Å; A12-R14 PolarHBondContact O-N 3.09Å; A12-K15 PolarHBondContact O-N 3.48Å; A12-K16 PolarHBondContact O-N 2.98Å; A12-K16 VanDerWaalsContact O-N 3.12Å
13L96.5Very high94.3Very high59 Ų5999.3 Ų99.331%0.30953%0.53SS..Hα-helixtrans-62.8-40175-69.7172.7000111.4Y5 E9 K15 K16 H17Y5-L13 HydrophobicContact CD1-CD1 4.16Å; Y5-L13 HydrophobicContact CD2-CD1 3.92Å; Y5-L13 HydrophobicContact CE1-CD1 4.05Å; Y5-L13 HydrophobicContact CE2-CD1 3.78Å; Y5-L13 HydrophobicContact CG-CD1 4.11Å; E9-L13 WeakPolarHBondContact O-CB 3.48Å; E9-L13 WeakPolarHBondContact O-CG 3.34Å; E9-L13 PolarHBondContact O-N 2.73Å; L13-K15 PolarHBondContact O-N 2.97Å; L13-K16 PolarHBondContact O-N 3.29Å; L13-K16 VanDerWaalsContact O-N 3.15Å; L13-H17 WeakPolarHBondContact O-CB 3.41Å; L13-H17 PolarHBondContact O-CD2 2.78Å; L13-H17 PolarHBondContact O-N 2.67Å
14R95.8Very high94.9Very high92 Ų9292.9 Ų92.935%0.34750%0.504SS..Hα-helixtrans-59.1-46173.6-171.1-177.1-177.597.6-4.4111.8T10 L11 A12 K16 H17 I18 C22T10-R14 VanDerWaalsContact O-CB 3.32Å; T10-R14 WeakPolarHBondContact O-CB 3.4Å; T10-R14 PolarHBondContact O-N 3.02Å; L11-R14 PolarHBondContact O-N 2.99Å; A12-R14 VanDerWaalsContact C-N 3.35Å; A12-R14 PolarHBondContact O-N 3.09Å; R14-K16 PolarHBondContact O-N 3.4Å; R14-H17 PolarHBondContact O-N 3.47Å; R14-I18 HydrophobicContact CG-CB 3.83Å; R14-I18 HydrophobicContact CG-CG1 3.92Å; R14-I18 HydrophobicContact CG-CG2 4.36Å; R14-I18 WeakPolarHBondContact O-CB 3.46Å; R14-I18 PolarHBondContact O-N 3.36Å; R14-C22 PolarHBondContact NH2-O 3.18Å
15K95Very high95Very high185 Ų18593.3 Ų93.380%0.80449%0.494SS*.Hα-helixtrans-61.3-29.8176.9-72.9171.2-177.7178.50113L11 A12 L13L11-K15 WeakPolarHBondContact O-CG 3.48Å; L11-K15 PolarHBondContact O-N 3.36Å; A12-K15 PolarHBondContact O-N 3.48Å; L13-K15 PolarHBondContact O-N 2.97Å
16K97.6Very high94.9Very high162 Ų16287.5 Ų87.570%0.70447%0.471SS*.Hα-helixtrans-85.2-35.5-179.9-176.3178.5171.1-166.80113.7A12 L13 R14A12-K16 PolarHBondContact O-N 2.98Å; A12-K16 VanDerWaalsContact O-N 3.12Å; L13-K16 PolarHBondContact O-N 3.29Å; L13-K16 VanDerWaalsContact O-N 3.15Å; R14-K16 PolarHBondContact O-N 3.4Å
17H97.7Very high94.6Very high121 Ų12188.4 Ų88.456%0.5648%0.482SS*.Hα-helixtrans-118.6-12-165.5-65.1-69.3000115.4L13 R14L13-H17 WeakPolarHBondContact O-CB 3.41Å; L13-H17 PolarHBondContact O-CD2 2.78Å; L13-H17 PolarHBondContact O-N 2.67Å; R14-H17 PolarHBondContact O-N 3.47Å
18I97.3Very high94.3Very high83 Ų8394.8 Ų94.843%0.42651%0.51SS..SBendtrans-116.6135-178.2-55.3-61.6000110.1R14 C22R14-I18 HydrophobicContact CG-CB 3.83Å; R14-I18 HydrophobicContact CG-CG1 3.92Å; R14-I18 HydrophobicContact CG-CG2 4.36Å; R14-I18 WeakPolarHBondContact O-CB 3.46Å; R14-I18 PolarHBondContact O-N 3.36Å; I18-C22 HydrophobicContact CG2-CB 3.82Å
19G96.6Very high94.1Very high36 Ų3694.8 Ų94.837%0.37150%0.5SS..  trans-55.3138.4-177.600000113.3S21 C22G19-S21 PolarHBondContact O-N 3.03Å; G19-S21 VanDerWaalsContact O-N 3.11Å; G19-C22 WeakPolarHBondContact O-CB 3.49Å; G19-C22 PolarHBondContact O-N 3.5Å
20P93.5Very high93.9Very high115 Ų11591 Ų9175%0.74748%0.484SS*.THydrogen-bonded Turntrans-69.3-11.9-171.627.9-36.2000114.4K23P20-K23 WeakPolarHBondContact O-CE 3.49Å; P20-K23 PolarHBondContact O-NZ 2.86Å
21S91.9Very high93.9Very high100 Ų10090.5 Ų90.570%0.69948%0.479SS*.THydrogen-bonded Turntrans-71.2-28.1170.148.70000112.6G19 K23G19-S21 PolarHBondContact O-N 3.03Å; G19-S21 VanDerWaalsContact O-N 3.11Å; S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 3.4Å
22C92.5Very high94Very high68 Ų6889.7 Ų89.746%0.45947%0.473SS..SBendtrans-75.378.5177.2-61.60000110.7R14 I18 G19R14-C22 PolarHBondContact NH2-O 3.18Å; I18-C22 HydrophobicContact CG2-CB 3.82Å; G19-C22 WeakPolarHBondContact O-CB 3.49Å; G19-C22 PolarHBondContact O-N 3.5Å
23K91.1Very high94Very high169 Ų16989.5 Ų89.574%0.73546%0.464SS*.  trans-65.5158.8178.4-56.1-50.4-175.2-169.80112.1P20 S21P20-K23 WeakPolarHBondContact O-CE 3.49Å; P20-K23 PolarHBondContact O-NZ 2.86Å; S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 3.4Å
24V92.8Very high94.1Very high52 Ų5291 Ų9132%0.31548%0.475SS..  trans-105.9152.2170.4-64.90000109.4P30V24-P30 HydrophobicContact CB-CB 4.43Å; V24-P30 HydrophobicContact CG2-CB 3.98Å; V24-P30 HydrophobicContact CG2-CG 3.72Å
25F91.3Very high94.2Very high128 Ų12892.9 Ų92.956%0.56148%0.482SS*.THydrogen-bonded Turntrans-63.6154.1165.2-74.9-85.9000110.4A27 I53F25-A27 PolarHBondContact O-N 3Å; F25-I53 HydrophobicContact CZ-CG2 4.4Å
26F92.8Very high94.3Very high19 Ų1984.7 Ų84.78%0.08345%0.449CS..THydrogen-bonded Turntrans51.648.1178.2-48.6-75.4000113.6K28 D29 P30 L31 I390 Y391 K394 L399F26-K28 PolarHBondContact O-N 3.37Å; F26-D29 WeakPolarHBondContact CB-O 3.38Å; F26-D29 CarbonylContact O-C 3.52Å; F26-D29 WeakPolarHBondContact O-CA 3.33Å; F26-D29 PolarHBondContact O-N 3.44Å; F26-D29 VanDerWaalsContact O-O 3.14Å; F26-P30 VanDerWaalsContact O-N 3.09Å; F26-L31 HydrophobicContact CD2-CD1 4.31Å; F26-L31 HydrophobicContact CE2-CD1 4.28Å; F26-I390 HydrophobicContact CD1-CG2 4.49Å; F26-I390 HydrophobicContact CE1-CG2 3.7Å; F26-I390 HydrophobicContact CZ-CG2 4.48Å; F26-Y391 HydrophobicContact CB-CE1 3.97Å; F26-Y391 HydrophobicContact CD1-CD1 4.14Å; F26-Y391 HydrophobicContact CD1-CE1 4.04Å; F26-K394 HydrophobicContact CB-CD 4.49Å; F26-K394 HydrophobicContact CD1-CB 4.04Å; F26-K394 HydrophobicContact CD1-CD 3.86Å; F26-K394 HydrophobicContact CD1-CG 3.84Å; F26-K394 HydrophobicContact CD2-CD 4.44Å; F26-K394 HydrophobicContact CD2-CG 4.19Å; F26-K394 HydrophobicContact CE1-CB 3.52Å; F26-K394 HydrophobicContact CE1-CD 4.19Å; F26-K394 HydrophobicContact CE1-CG 3.65Å; F26-K394 HydrophobicContact CE2-CG 4.04Å; F26-K394 HydrophobicContact CG-CD 4Å; F26-K394 HydrophobicContact CG-CG 4.11Å; F26-K394 HydrophobicContact CZ-CB 3.87Å; F26-K394 HydrophobicContact CZ-CG 3.77Å; F26-L399 HydrophobicContact CE2-CD2 4.02Å; F26-L399 HydrophobicContact CZ-CD2 4.16Å
27A89.3Confident94.4Very high75 Ų7581.3 Ų81.362%0.6244%0.436SS*.THydrogen-bonded Turntrans-52.3-20.9-167.500000117.2F25 Y391F25-A27 PolarHBondContact O-N 3Å; A27-Y391 PolarHBondContact N-OH 3.45Å
28K88.1Confident94.4Very high193 Ų19376.2 Ų76.284%0.83942%0.416SS*.THydrogen-bonded Turntrans-74-38.8171.8-69.3-174.9176-177.50113.3F26 Y391F26-K28 PolarHBondContact O-N 3.37Å; K28-Y391 HydrophobicContact CB-CE1 4.4Å
29D90.8Very high94.5Very high74 Ų7473.3 Ų73.340%0.39640%0.401SS..SBendtrans-14385.9173.7174.440.1000109.5K7 F26 K394K7-D29 IonicContact NZ-OD1 3.96Å; K7-D29 PolarHBondContact NZ-OD1 2.93Å; K7-D29 IonicContact NZ-OD2 2.71Å; F26-D29 WeakPolarHBondContact CB-O 3.38Å; F26-D29 CarbonylContact O-C 3.52Å; F26-D29 WeakPolarHBondContact O-CA 3.33Å; F26-D29 PolarHBondContact O-N 3.44Å; F26-D29 VanDerWaalsContact O-O 3.14Å; D29-K394 PolarHBondContact O-NZ 3.12Å; D29-K394 IonicContact OD2-NZ 2.8Å; D29-K394 PolarHBondContact OD2-NZ 2.82Å
30P94.4Very high94.6Very high18 Ų1874.2 Ų74.212%0.11739%0.393CS..  trans-67.5149.9-178.4-21.734.9000111.9K7 L11 V24 F26K7-P30 WeakPolarHBondContact CE-O 3.4Å; K7-P30 PolarHBondContact NZ-O 3.09Å; L11-P30 HydrophobicContact CD2-CB 4.32Å; L11-P30 HydrophobicContact CD2-CG 4.05Å; V24-P30 HydrophobicContact CB-CB 4.43Å; V24-P30 HydrophobicContact CG2-CB 3.98Å; V24-P30 HydrophobicContact CG2-CG 3.72Å; F26-P30 VanDerWaalsContact O-N 3.09Å
31L95.5Very high94.9Very high40 Ų4070.2 Ų70.221%0.20937%0.365CS..  trans-88.3142171.4-66.2173.1000111F26 I33 Y49 K394 L399F26-L31 HydrophobicContact CD2-CD1 4.31Å; F26-L31 HydrophobicContact CE2-CD1 4.28Å; L31-I33 HydrophobicContact CB-CD1 4.12Å; L31-I33 HydrophobicContact CB-CG1 4.31Å; L31-I33 HydrophobicContact CD1-CD1 4.43Å; L31-Y49 HydrophobicContact CD1-CD1 4.13Å; L31-Y49 HydrophobicContact CD1-CE1 3.93Å; L31-Y49 HydrophobicContact CD2-CE1 4.03Å; L31-Y49 HydrophobicContact CD2-CE2 4.37Å; L31-Y49 WeakPolarHBondContact CD2-OH 3.22Å; L31-K394 HydrophobicContact CD1-CG 4.17Å; L31-K394 VanDerWaalsContact CD2-CE 3.45Å; L31-L399 HydrophobicContact CD1-CD1 4.48Å; L31-L399 HydrophobicContact CD1-CD2 3.47Å; L31-L399 VanDerWaalsContact CD1-CD2 3.47Å
32K96.6Very high95.2Very high36 Ų3666.6 Ų66.616%0.15734%0.337CS..  trans-107.279.8169.9174.2-167.3166.279.20108.1Y5 K7 T10 V34 D43 E44Y5-K32 WeakPolarHBondContact O-CE 3.41Å; Y5-K32 PolarHBondContact O-NZ 2.78Å; K7-K32 HydrophobicContact CB-CD 4.33Å; K7-K32 HydrophobicContact CG-CB 4.48Å; T10-K32 PolarHBondContact OG1-NZ 3.45Å; K32-V34 HydrophobicContact CG-CG1 4.27Å; K32-D43 WeakPolarHBondContact O-CA 3.46Å; K32-E44 WeakPolarHBondContact CB-OE2 3.19Å; K32-E44 HydrophobicContact CD-CB 3.94Å; K32-E44 HydrophobicContact CD-CG 4.09Å; K32-E44 HydrophobicContact CG-CB 4.45Å; K32-E44 PolarHBondContact O-N 3.32Å; K32-E44 VanDerWaalsContact O-OE2 3.09Å
33I97.4Very high95.4Very high55 Ų5564 Ų6428%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-69.2132.7174.4-56-54.1000109.7L31 R35 M41 F42 D43 Y49L31-I33 HydrophobicContact CB-CD1 4.12Å; L31-I33 HydrophobicContact CB-CG1 4.31Å; L31-I33 HydrophobicContact CD1-CD1 4.43Å; I33-R35 WeakPolarHBondContact CG2-O 3.43Å; I33-M41 HydrophobicContact CB-CE 4.42Å; I33-M41 HydrophobicContact CD1-CB 4.12Å; I33-M41 HydrophobicContact CG1-CB 4.37Å; I33-M41 HydrophobicContact CG1-CE 4.3Å; I33-M41 HydrophobicContact CG1-SD 4.44Å; I33-M41 HydrophobicContact CG2-CB 3.92Å; I33-M41 HydrophobicContact CG2-CE 3.94Å; I33-M41 HydrophobicContact CG2-CG 4.41Å; I33-F42 WeakPolarHBondContact CA-O 3.48Å; I33-F42 WeakPolarHBondContact CG2-O 3.11Å; I33-D43 HydrophobicContact CD1-CB 4.41Å; I33-Y49 HydrophobicContact CD1-CD2 4.35Å
34V97.4Very high95.7Very high91 Ų9158.9 Ų58.955%0.55230%0.297SS*.EExtended strand (participates in β ladder)trans-122.9-15.8-179.9-57.10000113.7K32 F42 D43 E44K32-V34 HydrophobicContact CG-CG1 4.27Å; V34-F42 PolarHBondContact N-O 3.35Å; V34-D43 WeakPolarHBondContact CG2-O 3.34Å; V34-E44 HydrophobicContact CG1-CB 4.23Å
35R98.1Very high95.8Very high131 Ų13162.5 Ų62.549%0.49432%0.315SS..EExtended strand (participates in β ladder)trans-146.2153.6177.9-176.7176.168.787.50.1110.1I33 M41 F42I33-R35 WeakPolarHBondContact CG2-O 3.43Å; R35-M41 CarbonylContact O-C 3.59Å; R35-F42 HydrophobicContact CB-CB 4.27Å; R35-F42 HydrophobicContact CB-CD2 4.47Å; R35-F42 HydrophobicContact CG-CD2 4.38Å; R35-F42 VanDerWaalsContact CZ-CD2 3.47Å; R35-F42 PolarHBondContact N-O 3.3Å; R35-F42 PolarHBondContact O-N 3.05Å
36A98.6Very high96.1Very high12 Ų1258.6 Ų58.610%0.09931%0.31CS..EExtended strand (participates in β ladder)trans-151.6149.4170.600000110.5Y40 M41 H61 S62A36-Y40 CarbonylContact C-O 3.13Å; A36-Y40 VanDerWaalsContact CA-O 3.23Å; A36-Y40 WeakPolarHBondContact CA-O 3.5Å; A36-Y40 WeakPolarHBondContact CB-O 3.46Å; A36-M41 HydrophobicContact CB-CB 4.47Å; A36-M41 HydrophobicContact CB-CG 4.06Å; A36-H61 HydrophobicContact CB-CB 3.48Å; A36-H61 VanDerWaalsContact CB-CB 3.48Å; A36-H61 VanDerWaalsContact CB-CG 3.46Å; A36-S62 WeakPolarHBondContact O-CB 3.18Å; A36-S62 PolarHBondContact O-OG 3.4Å
37Q98.6Very high96.3Very high91 Ų9161.9 Ų61.943%0.42533%0.326SS..EExtended strand (participates in β ladder)trans-151129.8178.2-172.466.743.700109.8Q39 Y40 H61 S62Q37-Q39 PolarHBondContact O-N 2.89Å; Q37-Y40 PolarHBondContact N-O 2.94Å; Q37-Y40 PolarHBondContact O-N 2.92Å; Q37-H61 WeakPolarHBondContact CA-O 3.46Å; Q37-S62 PolarHBondContact NE2-O 3.31Å
38G98.6Very high96.8Very high15 Ų1563.5 Ų63.516%0.15532%0.319CS..BIsolated β-bridgetrans59.9-125.9-17900000111.2G60 H61G38-G60 WeakPolarHBondContact O-CA 3.42Å; G38-H61 PolarHBondContact N-O 3.36Å; G38-H61 PolarHBondContact O-CD2 3.25Å; G38-H61 PolarHBondContact O-N 2.92Å
39Q98.7Very high97.3Very high22 Ų2255.4 Ų55.410%0.10328%0.283CS..THydrogen-bonded Turntrans-91.511.1175.968.8-82.223.700114.5Q37 L50 D51 P415 C417 F418 D422Q37-Q39 PolarHBondContact O-N 2.89Å; Q39-L50 HydrophobicContact CB-CD1 4.48Å; Q39-L50 HydrophobicContact CG-CD1 3.94Å; Q39-D51 WeakPolarHBondContact O-CB 3.46Å; Q39-D51 PolarHBondContact O-N 3.4Å; Q39-P415 HydrophobicContact CB-CB 4.33Å; Q39-P415 HydrophobicContact CB-CG 4.39Å; Q39-C417 PolarHBondContact OE1-SG 3.3Å; Q39-C417 VanDerWaalsContact OE1-SG 3.34Å; Q39-F418 HydrophobicContact CB-CD2 4.26Å; Q39-F418 HydrophobicContact CG-CD2 4.33Å; Q39-D422 PolarHBondContact NE2-OD2 3.38Å
40Y98.9Very high97.7Very high55 Ų5552.2 Ų52.222%0.21627%0.266CS..EExtended strand (participates in β ladder)trans-118.2143.3-177.3-55-72.5000113.7A36 Q37 K48 Y49 L50 D422A36-Y40 CarbonylContact C-O 3.13Å; A36-Y40 VanDerWaalsContact CA-O 3.23Å; A36-Y40 WeakPolarHBondContact CA-O 3.5Å; A36-Y40 WeakPolarHBondContact CB-O 3.46Å; Q37-Y40 PolarHBondContact N-O 2.94Å; Q37-Y40 PolarHBondContact O-N 2.92Å; Y40-K48 HydrophobicContact CD1-CD 3.88Å; Y40-K48 HydrophobicContact CD1-CG 3.97Å; Y40-K48 HydrophobicContact CD2-CD 4.49Å; Y40-K48 HydrophobicContact CE1-CD 4.29Å; Y40-K48 HydrophobicContact CG-CD 4Å; Y40-K48 HydrophobicContact CG-CG 4.12Å; Y40-Y49 CarbonylContact C-O 3.16Å; Y40-Y49 VanDerWaalsContact CA-O 3.26Å; Y40-Y49 WeakPolarHBondContact CA-O 3.33Å; Y40-L50 HydrophobicContact CD1-CB 4.4Å; Y40-L50 HydrophobicContact CD1-CD1 4.07Å; Y40-L50 HydrophobicContact CE1-CB 4.35Å; Y40-L50 HydrophobicContact CE1-CD1 3.65Å; Y40-D422 PolarHBondContact OH-OD1 3.09Å
41M98.8Very high97.9Very high30 Ų3051.3 Ų51.315%0.14826%0.26CS..EExtended strand (participates in β ladder)trans-112.4156.5170.3-63.6-178.3105.900110I33 R35 A36 Y49 D51 L399I33-M41 HydrophobicContact CB-CE 4.42Å; I33-M41 HydrophobicContact CD1-CB 4.12Å; I33-M41 HydrophobicContact CG1-CB 4.37Å; I33-M41 HydrophobicContact CG1-CE 4.3Å; I33-M41 HydrophobicContact CG1-SD 4.44Å; I33-M41 HydrophobicContact CG2-CB 3.92Å; I33-M41 HydrophobicContact CG2-CE 3.94Å; I33-M41 HydrophobicContact CG2-CG 4.41Å; R35-M41 CarbonylContact O-C 3.59Å; A36-M41 HydrophobicContact CB-CB 4.47Å; A36-M41 HydrophobicContact CB-CG 4.06Å; M41-Y49 PolarHBondContact N-O 2.88Å; M41-Y49 PolarHBondContact O-N 3.48Å; M41-D51 HydrophobicContact CG-CB 4.19Å; M41-D51 HydrophobicContact SD-CB 4.36Å; M41-L399 HydrophobicContact SD-CD1 3.77Å
42F98.6Very high98Very high25 Ų2549.4 Ų49.411%0.1125%0.25CS..EExtended strand (participates in β ladder)trans-134.9131.9-179.7-55.7-96.7000111.4I33 V34 R35 E47 K48I33-F42 WeakPolarHBondContact CA-O 3.48Å; I33-F42 WeakPolarHBondContact CG2-O 3.11Å; V34-F42 PolarHBondContact N-O 3.35Å; R35-F42 HydrophobicContact CB-CB 4.27Å; R35-F42 HydrophobicContact CB-CD2 4.47Å; R35-F42 HydrophobicContact CG-CD2 4.38Å; R35-F42 VanDerWaalsContact CZ-CD2 3.47Å; R35-F42 PolarHBondContact N-O 3.3Å; R35-F42 PolarHBondContact O-N 3.05Å; F42-E47 VanDerWaalsContact CA-O 3.27Å; F42-E47 WeakPolarHBondContact CA-O 3.35Å; F42-K48 HydrophobicContact CD1-CB 3.93Å; F42-K48 HydrophobicContact CD1-CG 4.21Å; F42-K48 HydrophobicContact CE1-CB 3.62Å; F42-K48 HydrophobicContact CE1-CD 4.15Å; F42-K48 HydrophobicContact CE1-CG 3.56Å; F42-K48 HydrophobicContact CZ-CB 4.49Å; F42-K48 HydrophobicContact CZ-CD 4.32Å; F42-K48 HydrophobicContact CZ-CG 3.93Å
43D97.8Very high98Very high12 Ų1248.2 Ų48.26%0.06425%0.246CC..EExtended strand (participates in β ladder)trans-77.8-178.5177.686.6-14.9000112.8K32 I33 V34 N45 G46 E47 Y49K32-D43 WeakPolarHBondContact O-CA 3.46Å; I33-D43 HydrophobicContact CD1-CB 4.41Å; V34-D43 WeakPolarHBondContact CG2-O 3.34Å; D43-N45 PolarHBondContact O-N 3.1Å; D43-N45 WeakPolarHBondContact OD1-CA 3.29Å; D43-N45 WeakPolarHBondContact OD1-CB 3.3Å; D43-N45 PolarHBondContact OD1-N 3.48Å; D43-N45 PolarHBondContact OD2-ND2 3.28Å; D43-G46 PolarHBondContact O-N 3.44Å; D43-G46 VanDerWaalsContact O-N 3.17Å; D43-G46 PolarHBondContact OD1-N 3.25Å; D43-E47 PolarHBondContact N-O 2.92Å; D43-E47 WeakPolarHBondContact OD1-CB 3.43Å; D43-E47 PolarHBondContact OD1-N 2.91Å; D43-Y49 HydrophobicContact CB-CE2 3.95Å
44E96.3Very high97.9Very high63 Ų6347.6 Ų47.629%0.29424%0.243SC..THydrogen-bonded Turntrans-64.5-16.6179.170.1-90.5-133.400115K7 K32 V34K7-E44 WeakPolarHBondContact CB-OE1 3.33Å; K7-E44 WeakPolarHBondContact CD-OE1 3.38Å; K32-E44 WeakPolarHBondContact CB-OE2 3.19Å; K32-E44 HydrophobicContact CD-CB 3.94Å; K32-E44 HydrophobicContact CD-CG 4.09Å; K32-E44 HydrophobicContact CG-CB 4.45Å; K32-E44 PolarHBondContact O-N 3.32Å; K32-E44 VanDerWaalsContact O-OE2 3.09Å; V34-E44 HydrophobicContact CG1-CB 4.23Å
45N95.5Very high97.9Very high128 Ų12843.5 Ų43.568%0.68422%0.218SC*.THydrogen-bonded Turntrans-96.8-11.9178-48.9-69.8000112D43D43-N45 PolarHBondContact O-N 3.1Å; D43-N45 WeakPolarHBondContact OD1-CA 3.29Å; D43-N45 WeakPolarHBondContact OD1-CB 3.3Å; D43-N45 PolarHBondContact OD1-N 3.48Å; D43-N45 PolarHBondContact OD2-ND2 3.28Å
46G96.9Very high97.8Very high45 Ų4539.4 Ų39.446%0.46421%0.207SC..  trans94.85.4-176.500000114.7D43 K48D43-G46 PolarHBondContact O-N 3.44Å; D43-G46 VanDerWaalsContact O-N 3.17Å; D43-G46 PolarHBondContact OD1-N 3.25Å; G46-K48 PolarHBondContact O-N 3.43Å
47E98.2Very high97.8Very high88 Ų8839 Ų3941%0.41120%0.204SC..  trans-60.3130.3176.2-77.7-68.7133.400110.4F42 D43 Y49 Q397F42-E47 VanDerWaalsContact CA-O 3.27Å; F42-E47 WeakPolarHBondContact CA-O 3.35Å; D43-E47 PolarHBondContact N-O 2.92Å; D43-E47 WeakPolarHBondContact OD1-CB 3.43Å; D43-E47 PolarHBondContact OD1-N 2.91Å; E47-Y49 HydrophobicContact CB-CD2 4.46Å; E47-Y49 HydrophobicContact CB-CE2 3.72Å; E47-Y49 WeakPolarHBondContact O-CD2 3.4Å; E47-Q397 PolarHBondContact OE2-NE2 3.24Å
48K98.4Very high97.8Very high110 Ų11034.7 Ų34.748%0.47818%0.184SC..EExtended strand (participates in β ladder)trans-90.6119.6-176.4-176.2-174.969.2162.10110.7Y40 F42 G46 Q397Y40-K48 HydrophobicContact CD1-CD 3.88Å; Y40-K48 HydrophobicContact CD1-CG 3.97Å; Y40-K48 HydrophobicContact CD2-CD 4.49Å; Y40-K48 HydrophobicContact CE1-CD 4.29Å; Y40-K48 HydrophobicContact CG-CD 4Å; Y40-K48 HydrophobicContact CG-CG 4.12Å; F42-K48 HydrophobicContact CD1-CB 3.93Å; F42-K48 HydrophobicContact CD1-CG 4.21Å; F42-K48 HydrophobicContact CE1-CB 3.62Å; F42-K48 HydrophobicContact CE1-CD 4.15Å; F42-K48 HydrophobicContact CE1-CG 3.56Å; F42-K48 HydrophobicContact CZ-CB 4.49Å; F42-K48 HydrophobicContact CZ-CD 4.32Å; F42-K48 HydrophobicContact CZ-CG 3.93Å; G46-K48 PolarHBondContact O-N 3.43Å; K48-Q397 WeakPolarHBondContact O-CB 3.28Å
49Y98.8Very high97.8Very high22 Ų2234 Ų349%0.08618%0.177CC..EExtended strand (participates in β ladder)trans-107.5133.8176.5-67.9-96.2000112.1L31 I33 Y40 M41 D43 E47 Q397 L399L31-Y49 HydrophobicContact CD1-CD1 4.13Å; L31-Y49 HydrophobicContact CD1-CE1 3.93Å; L31-Y49 HydrophobicContact CD2-CE1 4.03Å; L31-Y49 HydrophobicContact CD2-CE2 4.37Å; L31-Y49 WeakPolarHBondContact CD2-OH 3.22Å; I33-Y49 HydrophobicContact CD1-CD2 4.35Å; Y40-Y49 CarbonylContact C-O 3.16Å; Y40-Y49 VanDerWaalsContact CA-O 3.26Å; Y40-Y49 WeakPolarHBondContact CA-O 3.33Å; M41-Y49 PolarHBondContact N-O 2.88Å; M41-Y49 PolarHBondContact O-N 3.48Å; D43-Y49 HydrophobicContact CB-CE2 3.95Å; E47-Y49 HydrophobicContact CB-CD2 4.46Å; E47-Y49 HydrophobicContact CB-CE2 3.72Å; E47-Y49 WeakPolarHBondContact O-CD2 3.4Å; Y49-Q397 CarbonylContact C-O 3.56Å; Y49-Q397 WeakPolarHBondContact CA-O 3.35Å; Y49-Q397 HydrophobicContact CD1-CB 4.01Å; Y49-Q397 HydrophobicContact CD1-CG 4.32Å; Y49-Q397 HydrophobicContact CE1-CB 4.25Å; Y49-Q397 HydrophobicContact CE1-CG 4.11Å; Y49-Q397 HydrophobicContact CG-CB 4.45Å; Y49-L399 HydrophobicContact CD1-CD2 3.68Å; Y49-L399 HydrophobicContact CD1-CG 4.2Å; Y49-L399 HydrophobicContact CE1-CD2 4.41Å; Y49-L399 HydrophobicContact CG-CD2 4.33Å; Y49-L399 HydrophobicContact CG-CG 4.45Å
50L98.9Very high97.8Very high7 Ų733 Ų334%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-79.7127.4170.5178.461.3000110.4Q39 Y40 Q397 I398 L399 F418 D422Q39-L50 HydrophobicContact CB-CD1 4.48Å; Q39-L50 HydrophobicContact CG-CD1 3.94Å; Y40-L50 HydrophobicContact CD1-CB 4.4Å; Y40-L50 HydrophobicContact CD1-CD1 4.07Å; Y40-L50 HydrophobicContact CE1-CB 4.35Å; Y40-L50 HydrophobicContact CE1-CD1 3.65Å; L50-Q397 PolarHBondContact N-O 3.39Å; L50-I398 HydrophobicContact CB-CG1 4.4Å; L50-L399 WeakPolarHBondContact O-CB 3.42Å; L50-L399 PolarHBondContact O-N 3.02Å; L50-F418 HydrophobicContact CD1-CD2 4.1Å; L50-F418 HydrophobicContact CD1-CE2 3.69Å; L50-F418 HydrophobicContact CD2-CE2 4Å; L50-F418 HydrophobicContact CD2-CZ 4.29Å; L50-F418 HydrophobicContact CG-CE2 3.99Å; L50-D422 HydrophobicContact CD1-CB 3.95Å; L50-D422 WeakPolarHBondContact CD1-OD1 3.12Å; L50-D422 HydrophobicContact CD2-CB 4.02Å
51D98.7Very high97.8Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-102.5100.3-173.8-173.6-3000113.1Q39 M41 I53 N54 H61 P414 P415Q39-D51 WeakPolarHBondContact O-CB 3.46Å; Q39-D51 PolarHBondContact O-N 3.4Å; M41-D51 HydrophobicContact CG-CB 4.19Å; M41-D51 HydrophobicContact SD-CB 4.36Å; D51-I53 WeakPolarHBondContact OD1-CA 3.03Å; D51-I53 PolarHBondContact OD1-N 3.47Å; D51-N54 VanDerWaalsContact CG-ND2 3.35Å; D51-N54 PolarHBondContact OD1-N 3.14Å; D51-N54 PolarHBondContact OD1-ND2 3.37Å; D51-N54 VanDerWaalsContact OD2-CB 3.25Å; D51-N54 WeakPolarHBondContact OD2-CB 3.43Å; D51-N54 PolarHBondContact OD2-ND2 3.37Å; D51-H61 IonicContact OD2-CD2 3.71Å; D51-H61 IonicContact OD2-CE1 3.01Å; D51-H61 IonicContact OD2-NE2 2.7Å; D51-H61 PolarHBondContact OD2-NE2 2.85Å; D51-P414 WeakPolarHBondContact O-CB 3.4Å; D51-P415 VanDerWaalsContact O-CD 3.29Å; D51-P415 WeakPolarHBondContact O-CD 3.38Å
52C98.4Very high97.8Very high0 Ų032.9 Ų32.90%018%0.179CC..SBendtrans-94.63.8172.3-53.40000113.1L399 L400 F412 K413C52-L399 WeakPolarHBondContact CA-O 3.17Å; C52-L399 VanDerWaalsContact CB-O 3.27Å; C52-L399 WeakPolarHBondContact CB-O 3.29Å; C52-L399 PolarHBondContact N-O 3.14Å; C52-L400 HydrophobicContact CB-CD1 3.46Å; C52-L400 VanDerWaalsContact CB-CD1 3.46Å; C52-L400 HydrophobicContact CB-CG 3.97Å; C52-F412 HydrophobicContact CB-CD1 4.31Å; C52-K413 CarbonylContact O-C 3.58Å; C52-K413 PolarHBondContact O-N 3.42Å
53I96.9Very high97.8Very high11 Ų1133.2 Ų33.26%0.05618%0.181CC..SBendtrans-100-46.6-172.9-59.1176.2000111.9F25 D51 N55 L399 L400 K413F25-I53 HydrophobicContact CZ-CG2 4.4Å; D51-I53 WeakPolarHBondContact OD1-CA 3.03Å; D51-I53 PolarHBondContact OD1-N 3.47Å; I53-N55 PolarHBondContact O-N 2.68Å; I53-L399 HydrophobicContact CD1-CB 3.94Å; I53-L399 HydrophobicContact CG1-CB 4.32Å; I53-L399 WeakPolarHBondContact CG1-O 3.37Å; I53-L400 WeakPolarHBondContact CD1-O 3.35Å; I53-K413 PolarHBondContact O-NZ 3.22Å
54N95.5Very high97.9Very high42 Ų4236.8 Ų36.823%0.22521%0.205CC..  trans-88.970-160.5-63.8-59.8000114.3D51 V56 A57D51-N54 VanDerWaalsContact CG-ND2 3.35Å; D51-N54 PolarHBondContact OD1-N 3.14Å; D51-N54 PolarHBondContact OD1-ND2 3.37Å; D51-N54 VanDerWaalsContact OD2-CB 3.25Å; D51-N54 WeakPolarHBondContact OD2-CB 3.43Å; D51-N54 PolarHBondContact OD2-ND2 3.37Å; N54-V56 HydrophobicContact CB-CG1 4.21Å; N54-V56 PolarHBondContact O-N 2.94Å; N54-A57 PolarHBondContact O-N 2.99Å
55N96.4Very high98Very high4 Ų438 Ų382%0.02121%0.208CC..THydrogen-bonded Turntrans-54.3-12.2169.373.9-52.4000115.3I53 Q250 R255 K413I53-N55 PolarHBondContact O-N 2.68Å; N55-Q250 PolarHBondContact ND2-O 2.91Å; N55-Q250 VanDerWaalsContact ND2-O 3.14Å; N55-Q250 PolarHBondContact ND2-OE1 2.85Å; N55-R255 PolarHBondContact O-NH2 3.06Å; N55-R255 VanDerWaalsContact O-NH2 3.1Å; N55-K413 VanDerWaalsContact CA-O 3.28Å; N55-K413 WeakPolarHBondContact CA-O 3.17Å; N55-K413 HydrophobicContact CB-CB 3.87Å; N55-K413 HydrophobicContact CB-CD 4.03Å; N55-K413 HydrophobicContact CB-CG 3.92Å; N55-K413 VanDerWaalsContact CB-O 3.31Å; N55-K413 WeakPolarHBondContact CB-O 3.46Å; N55-K413 PolarHBondContact N-O 2.85Å; N55-K413 PolarHBondContact OD1-NZ 3.48Å
56V96.9Very high98.1Very high45 Ų4532.4 Ų32.427%0.27318%0.178SC..THydrogen-bonded Turntrans-74.2-35.8174.773.40000112.2N54 H58 K279 N283 G284N54-V56 HydrophobicContact CB-CG1 4.21Å; N54-V56 PolarHBondContact O-N 2.94Å; V56-H58 PolarHBondContact O-N 3.31Å; V56-K279 HydrophobicContact CB-CB 4.29Å; V56-K279 HydrophobicContact CG2-CB 3.85Å; V56-K279 HydrophobicContact CG2-CG 4.19Å; V56-N283 CarbonylContact O-C 3.6Å; V56-N283 WeakPolarHBondContact O-CA 3.47Å; V56-G284 PolarHBondContact O-N 3.11Å; V56-G284 VanDerWaalsContact O-N 3.12Å
57A98.3Very high98.2Very high4 Ų434.3 Ų34.33%0.03318%0.177CC..SBendtrans-80.456.3169.200000108.8N54 V59 G60 H61 N283 P415N54-A57 PolarHBondContact O-N 2.99Å; A57-V59 PolarHBondContact O-N 3.05Å; A57-G60 PolarHBondContact O-N 3.31Å; A57-H61 VanDerWaalsContact CB-CE1 3.47Å; A57-H61 WeakPolarHBondContact CB-CE1 3.19Å; A57-H61 WeakPolarHBondContact CB-ND1 3.32Å; A57-N283 WeakPolarHBondContact CA-OD1 3.46Å; A57-P415 HydrophobicContact CB-CG 4.41Å; A57-P415 VanDerWaalsContact O-CB 3.24Å; A57-P415 WeakPolarHBondContact O-CB 3.47Å; A57-P415 WeakPolarHBondContact O-CG 3.26Å
58H98.8Very high98.3Very high0 Ų037.4 Ų37.40%019%0.189CC..THydrogen-bonded Turntrans-57.7-44-165.9179.594.6000113.7V56 G60 F253 R255 P280 N283 M416V56-H58 PolarHBondContact O-N 3.31Å; H58-G60 VanDerWaalsContact C-N 3.28Å; H58-G60 PolarHBondContact O-N 3.36Å; H58-F253 PolarHBondContact CE1-O 2.73Å; H58-F253 PolarHBondContact NE2-O 2.76Å; H58-R255 PolarHBondContact ND1-NH2 2.95Å; H58-R255 VanDerWaalsContact ND1-NH2 3.19Å; H58-P280 HydrophobicContact CB-CB 3.79Å; H58-P280 HydrophobicContact CB-CG 4.22Å; H58-N283 PolarHBondContact N-OD1 3.24Å; H58-M416 WeakPolarHBondContact CE1-CG 3.25Å; H58-M416 WeakPolarHBondContact NE2-CG 3.14Å; H58-M416 WeakPolarHBondContact O-CB 3.36Å; H58-M416 WeakPolarHBondContact O-CG 3.42Å; H58-M416 PolarHBondContact O-N 3.46Å
59V98.8Very high98.3Very high1 Ų133.3 Ų33.31%0.00618%0.176CC..THydrogen-bonded Turntrans-92.918.6176.3-53.40000113A57 H63 V66 N283 V324 V327 I328 L333A57-V59 PolarHBondContact O-N 3.05Å; V59-H63 HydrophobicContact CG2-CB 3.94Å; V59-H63 PolarHBondContact O-CD2 2.86Å; V59-H63 VanDerWaalsContact O-CD2 3.26Å; V59-V66 HydrophobicContact CG2-CG2 3.91Å; V59-N283 HydrophobicContact CG2-CB 4.1Å; V59-N283 VanDerWaalsContact CG2-CG 3.48Å; V59-N283 WeakPolarHBondContact CG2-ND2 3.23Å; V59-N283 PolarHBondContact N-OD1 2.82Å; V59-V324 HydrophobicContact CG1-CG1 4.13Å; V59-V327 HydrophobicContact CB-CB 4.41Å; V59-V327 HydrophobicContact CB-CG1 3.65Å; V59-V327 HydrophobicContact CG1-CB 4.28Å; V59-V327 HydrophobicContact CG1-CG1 3.91Å; V59-V327 HydrophobicContact CG2-CG1 4.06Å; V59-I328 HydrophobicContact CG1-CD1 4.41Å; V59-I328 HydrophobicContact CG1-CG1 3.78Å; V59-L333 HydrophobicContact CB-CD1 3.82Å; V59-L333 HydrophobicContact CG1-CD1 3.67Å
60G98.7Very high98.3Very high1 Ų133 Ų331%0.0118%0.178CC..  trans94.8145.4-173.300000112.8G38 A57 H58 N283G38-G60 WeakPolarHBondContact O-CA 3.42Å; A57-G60 PolarHBondContact O-N 3.31Å; H58-G60 VanDerWaalsContact C-N 3.28Å; H58-G60 PolarHBondContact O-N 3.36Å; G60-N283 PolarHBondContact O-ND2 3.29Å
61H98.8Very high98.3Very high26 Ų2635.7 Ų35.712%0.1220%0.195CC..BIsolated β-bridgetrans-59.8139.6173.7-69-76.8000110.8A36 Q37 G38 D51 A57 H63A36-H61 HydrophobicContact CB-CB 3.48Å; A36-H61 VanDerWaalsContact CB-CB 3.48Å; A36-H61 VanDerWaalsContact CB-CG 3.46Å; Q37-H61 WeakPolarHBondContact CA-O 3.46Å; G38-H61 PolarHBondContact N-O 3.36Å; G38-H61 PolarHBondContact O-CD2 3.25Å; G38-H61 PolarHBondContact O-N 2.92Å; D51-H61 IonicContact OD2-CD2 3.71Å; D51-H61 IonicContact OD2-CE1 3.01Å; D51-H61 IonicContact OD2-NE2 2.7Å; D51-H61 PolarHBondContact OD2-NE2 2.85Å; A57-H61 VanDerWaalsContact CB-CE1 3.47Å; A57-H61 WeakPolarHBondContact CB-CE1 3.19Å; A57-H61 WeakPolarHBondContact CB-ND1 3.32Å; H61-H63 VanDerWaalsContact C-N 3.26Å; H61-H63 PolarHBondContact O-N 3.36Å
62S98.3Very high98.3Very high56 Ų5642.5 Ų42.539%0.39222%0.224SC..THydrogen-bonded Turntrans53.537.8174.6-48.90000114.2A36 Q37 I67A36-S62 WeakPolarHBondContact O-CB 3.18Å; A36-S62 PolarHBondContact O-OG 3.4Å; Q37-S62 PolarHBondContact NE2-O 3.31Å; S62-I67 WeakPolarHBondContact O-CD1 3.33Å
63H98.8Very high98.3Very high33 Ų3343.3 Ų43.315%0.15323%0.228CC..  trans-61.4121.8-177.9-167.3-74.4000111.4V59 H61 Y65 V66 I67 V327 E331V59-H63 HydrophobicContact CG2-CB 3.94Å; V59-H63 PolarHBondContact O-CD2 2.86Å; V59-H63 VanDerWaalsContact O-CD2 3.26Å; H61-H63 VanDerWaalsContact C-N 3.26Å; H61-H63 PolarHBondContact O-N 3.36Å; H63-Y65 VanDerWaalsContact C-N 3.29Å; H63-Y65 WeakPolarHBondContact CE1-CB 3.49Å; H63-Y65 WeakPolarHBondContact ND1-CB 3.22Å; H63-Y65 PolarHBondContact ND1-N 3.32Å; H63-Y65 VanDerWaalsContact ND1-N 3.19Å; H63-Y65 PolarHBondContact O-N 3.33Å; H63-V66 HydrophobicContact CB-CB 4.42Å; H63-V66 HydrophobicContact CB-CG2 4.11Å; H63-V66 PolarHBondContact O-N 2.85Å; H63-I67 WeakPolarHBondContact O-CG1 3.39Å; H63-I67 PolarHBondContact O-N 3.14Å; H63-V327 WeakPolarHBondContact CE1-CG2 3.19Å; H63-V327 WeakPolarHBondContact NE2-CG1 3.22Å; H63-E331 IonicContact CE1-OE1 3.84Å; H63-E331 PolarHBondContact CE1-OE1 3.33Å; H63-E331 IonicContact NE2-OE1 3.81Å; H63-E331 PolarHBondContact NE2-OE1 2.96Å; H63-E331 IonicContact NE2-OE2 2.71Å; H63-E331 PolarHBondContact NE2-OE2 2.9Å
64P98.6Very high98.4Very high87 Ų8748.3 Ų48.357%0.56525%0.252SS*.Hα-helixtrans-66.1-28.8-16825.2-34.8000113.4K68P64-K68 WeakPolarHBondContact O-CB 3.41Å; P64-K68 PolarHBondContact O-N 2.87Å
65Y98.8Very high98.5Very high88 Ų8853.5 Ų53.535%0.34528%0.275SS..Hα-helixtrans-68.9-42.4177.2-163.5-107.1000111.4H63 K68 A69 A323 E326 V327 K330H63-Y65 VanDerWaalsContact C-N 3.29Å; H63-Y65 WeakPolarHBondContact CE1-CB 3.49Å; H63-Y65 WeakPolarHBondContact ND1-CB 3.22Å; H63-Y65 PolarHBondContact ND1-N 3.32Å; H63-Y65 VanDerWaalsContact ND1-N 3.19Å; H63-Y65 PolarHBondContact O-N 3.33Å; Y65-K68 PolarHBondContact O-N 2.91Å; Y65-A69 PolarHBondContact O-N 3.39Å; Y65-A323 HydrophobicContact CD1-CB 3.92Å; Y65-A323 HydrophobicContact CE1-CB 4.16Å; Y65-E326 HydrophobicContact CE1-CB 4.05Å; Y65-E326 WeakPolarHBondContact CE1-OE2 3.2Å; Y65-E326 PolarHBondContact OH-OE2 3.26Å; Y65-V327 HydrophobicContact CD1-CG2 3.71Å; Y65-V327 HydrophobicContact CG-CG2 4.13Å; Y65-K330 PolarHBondContact OH-NZ 3.47Å
66V98.8Very high98.6Very high11 Ų1159.4 Ų59.47%0.06731%0.306CS..Hα-helixtrans-66.4-43.7177.5-176.60000111V59 H63 K68 A69 A70 I320 A323 V324V59-V66 HydrophobicContact CG2-CG2 3.91Å; H63-V66 HydrophobicContact CB-CB 4.42Å; H63-V66 HydrophobicContact CB-CG2 4.11Å; H63-V66 PolarHBondContact O-N 2.85Å; V66-K68 PolarHBondContact O-N 3.21Å; V66-A69 PolarHBondContact O-N 3.18Å; V66-A70 WeakPolarHBondContact O-CB 3.46Å; V66-A70 PolarHBondContact O-N 2.66Å; V66-I320 HydrophobicContact CG1-CG1 4.5Å; V66-I320 HydrophobicContact CG1-CG2 3.86Å; V66-A323 HydrophobicContact CG2-CB 4.38Å; V66-V324 HydrophobicContact CG1-CG2 4.38Å; V66-V324 HydrophobicContact CG2-CG2 4.04Å
67I98.7Very high98.6Very high85 Ų8560.7 Ų60.744%0.43631%0.311SS..Hα-helixtrans-58.6-48.1174.9-65.7169.2000110.4S62 H63 A69 A70 T71S62-I67 WeakPolarHBondContact O-CD1 3.33Å; H63-I67 WeakPolarHBondContact O-CG1 3.39Å; H63-I67 PolarHBondContact O-N 3.14Å; I67-A69 VanDerWaalsContact C-N 3.33Å; I67-A69 PolarHBondContact O-N 2.99Å; I67-A70 WeakPolarHBondContact O-CB 3.36Å; I67-A70 PolarHBondContact O-N 2.72Å; I67-T71 PolarHBondContact O-N 3.42Å; I67-T71 PolarHBondContact O-OG1 3.49Å
68K98.8Very high98.6Very high152 Ų15265.2 Ų65.266%0.66134%0.335SS*.Hα-helixtrans-60.3-40.7180-175.1177.9-179.8179.90112.5P64 Y65 V66 K72P64-K68 WeakPolarHBondContact O-CB 3.41Å; P64-K68 PolarHBondContact O-N 2.87Å; Y65-K68 PolarHBondContact O-N 2.91Å; V66-K68 PolarHBondContact O-N 3.21Å; K68-K72 VanDerWaalsContact O-CB 3.3Å; K68-K72 WeakPolarHBondContact O-CB 3.34Å; K68-K72 PolarHBondContact O-N 3.02Å; K68-K72 VanDerWaalsContact O-N 3.08Å
69A98.8Very high98.4Very high25 Ų2567.4 Ų67.421%0.20735%0.348CS..Hα-helixtrans-65.8-43.717600000112.1Y65 V66 I67 Q73 A323Y65-A69 PolarHBondContact O-N 3.39Å; V66-A69 PolarHBondContact O-N 3.18Å; I67-A69 VanDerWaalsContact C-N 3.33Å; I67-A69 PolarHBondContact O-N 2.99Å; A69-Q73 PolarHBondContact O-N 3.24Å; A69-A323 HydrophobicContact CB-CB 3.57Å
70A98.7Very high98.2Very high15 Ų1569.2 Ų69.212%0.12436%0.358CS..Hα-helixtrans-59-55.1175.600000111.7V66 I67 K72 Q73 M74 I320V66-A70 WeakPolarHBondContact O-CB 3.46Å; V66-A70 PolarHBondContact O-N 2.66Å; I67-A70 WeakPolarHBondContact O-CB 3.36Å; I67-A70 PolarHBondContact O-N 2.72Å; A70-K72 PolarHBondContact O-N 2.84Å; A70-Q73 PolarHBondContact O-N 2.83Å; A70-M74 WeakPolarHBondContact O-CB 3.47Å; A70-M74 VanDerWaalsContact O-CG 3.26Å; A70-M74 WeakPolarHBondContact O-CG 3.38Å; A70-M74 PolarHBondContact O-N 2.99Å; A70-I320 HydrophobicContact CB-CD1 3.73Å; A70-I320 HydrophobicContact CB-CG1 3.68Å
71T98.8Very high97.8Very high64 Ų6471 Ų7139%0.39337%0.371SS..Hα-helixtrans-57.9-49.6-178.9-59.60000111.5I67 Q73 M74 E75I67-T71 PolarHBondContact O-N 3.42Å; I67-T71 PolarHBondContact O-OG1 3.49Å; T71-Q73 VanDerWaalsContact C-N 3.28Å; T71-Q73 PolarHBondContact O-N 2.71Å; T71-M74 PolarHBondContact O-N 2.85Å; T71-M74 VanDerWaalsContact O-N 3.14Å; T71-E75 WeakPolarHBondContact O-CG 3.41Å; T71-E75 PolarHBondContact O-N 2.74Å
72K98.8Very high97.4Very high143 Ų14376.2 Ų76.262%0.62239%0.389SS*.Hα-helixtrans-56.4-41.1179.3-178-173.2173.8-1680112.3K68 A70 L76K68-K72 VanDerWaalsContact O-CB 3.3Å; K68-K72 WeakPolarHBondContact O-CB 3.34Å; K68-K72 PolarHBondContact O-N 3.02Å; K68-K72 VanDerWaalsContact O-N 3.08Å; A70-K72 PolarHBondContact O-N 2.84Å; K72-L76 WeakPolarHBondContact O-CG 3.32Å
73Q98.8Very high97.1Very high17 Ų1779.7 Ų79.78%0.07940%0.397CS..Hα-helixtrans-76.9-34.6179.5-17460.453.900112.3A69 A70 T71 E75 L76 L77 H85 N87 P315 V316 A319A69-Q73 PolarHBondContact O-N 3.24Å; A70-Q73 PolarHBondContact O-N 2.83Å; T71-Q73 VanDerWaalsContact C-N 3.28Å; T71-Q73 PolarHBondContact O-N 2.71Å; Q73-E75 VanDerWaalsContact C-N 3.3Å; Q73-E75 PolarHBondContact O-N 2.85Å; Q73-L76 PolarHBondContact O-N 2.9Å; Q73-L76 VanDerWaalsContact O-N 3.11Å; Q73-L77 PolarHBondContact NE2-O 2.73Å; Q73-L77 PolarHBondContact O-N 2.79Å; Q73-H85 PolarHBondContact NE2-NE2 3.45Å; Q73-N87 PolarHBondContact OE1-ND2 3.33Å; Q73-P315 HydrophobicContact CG-CB 3.99Å; Q73-V316 HydrophobicContact CB-CG2 4.26Å; Q73-V316 HydrophobicContact CG-CB 4.34Å; Q73-V316 HydrophobicContact CG-CG2 3.85Å; Q73-A319 HydrophobicContact CB-CB 3.78Å; Q73-A319 HydrophobicContact CG-CB 4.03Å
74M98.6Very high96.9Very high116 Ų11686.1 Ų86.157%0.57143%0.432SS*.Hα-helixtrans-64.1-32.7175.6-74.217363.600113A70 T71 L76 V316A70-M74 WeakPolarHBondContact O-CB 3.47Å; A70-M74 VanDerWaalsContact O-CG 3.26Å; A70-M74 WeakPolarHBondContact O-CG 3.38Å; A70-M74 PolarHBondContact O-N 2.99Å; T71-M74 PolarHBondContact O-N 2.85Å; T71-M74 VanDerWaalsContact O-N 3.14Å; M74-L76 PolarHBondContact O-N 3.46Å; M74-V316 HydrophobicContact CG-CB 4.38Å; M74-V316 HydrophobicContact CG-CG1 3.69Å; M74-V316 HydrophobicContact CG-CG2 3.69Å; M74-V316 HydrophobicContact SD-CG1 4.28Å
75E98.5Very high96.9Very high151 Ų15183.9 Ų83.971%0.70641%0.414SS*.THydrogen-bonded Turntrans-68.7-18.3173.7-72.2170.3173.800113.3T71 Q73T71-E75 WeakPolarHBondContact O-CG 3.41Å; T71-E75 PolarHBondContact O-N 2.74Å; Q73-E75 VanDerWaalsContact C-N 3.3Å; Q73-E75 PolarHBondContact O-N 2.85Å
76L98.3Very high96.9Very high127 Ų12784.9 Ų84.967%0.66543%0.425SS*.THydrogen-bonded Turntrans-105.3-57.9-176.6-63.1174.5000112.6K72 Q73 M74K72-L76 WeakPolarHBondContact O-CG 3.32Å; Q73-L76 PolarHBondContact O-N 2.9Å; Q73-L76 VanDerWaalsContact O-N 3.11Å; M74-L76 PolarHBondContact O-N 3.46Å
77L97.9Very high96.8Very high72 Ų7285.5 Ų85.538%0.37743%0.428SS..  trans-161.1127.3-176.2-172.766.1000112.3Q73 T79 P315Q73-L77 PolarHBondContact NE2-O 2.73Å; Q73-L77 PolarHBondContact O-N 2.79Å; L77-T79 HydrophobicContact CD1-CG2 3.81Å; L77-T79 HydrophobicContact CD2-CG2 3.92Å; L77-T79 HydrophobicContact CG-CG2 3.85Å; L77-P315 HydrophobicContact CD2-CG 4.24Å; L77-P315 HydrophobicContact CG-CG 4.46Å
78N97.1Very high96.8Very high100 Ų10083.3 Ų83.354%0.53542%0.417SS..  trans-131.794.7168.3-172.812.4000109.8V316N78-V316 HydrophobicContact CB-CG2 3.73Å
79T95.5Very high96.7Very high46 Ų4680.3 Ų80.328%0.28241%0.411SS..  trans-147.1176.7-179.3-166.40000110.5L77 F83 N314 P315L77-T79 HydrophobicContact CD1-CG2 3.81Å; L77-T79 HydrophobicContact CD2-CG2 3.92Å; L77-T79 HydrophobicContact CG-CG2 3.85Å; T79-F83 HydrophobicContact CG2-CD2 3.95Å; T79-F83 HydrophobicContact CG2-CE2 4.49Å; T79-N314 WeakPolarHBondContact O-CB 3.42Å; T79-P315 WeakPolarHBondContact O-CD 3.19Å
80N93.4Very high96.7Very high38 Ų3883.4 Ų83.420%0.20342%0.421CS..  trans-65.7162.8178.972.176.7000112.9R82 F308 T310N80-R82 VanDerWaalsContact C-N 3.33Å; N80-R82 PolarHBondContact O-N 2.92Å; N80-R82 VanDerWaalsContact OD1-CB 3.3Å; N80-R82 WeakPolarHBondContact OD1-CB 3.27Å; N80-R82 PolarHBondContact OD1-N 3.21Å; N80-F308 HydrophobicContact CB-CE2 4.1Å; N80-F308 HydrophobicContact CB-CZ 4.12Å; N80-T310 WeakPolarHBondContact CA-O 3.01Å; N80-T310 WeakPolarHBondContact CB-O 3.47Å
81S90.1Very high96.7Very high40 Ų4082.7 Ų82.728%0.2842%0.415SS..THydrogen-bonded Turntrans-81.98.2-173.453.30000116.1F83 G312S81-F83 VanDerWaalsContact C-N 3.34Å; S81-G312 WeakPolarHBondContact CB-O 3.39Å; S81-G312 PolarHBondContact OG-O 3.2Å
82R91.6Very high96.7Very high135 Ų13580.7 Ų80.751%0.50941%0.405SS..THydrogen-bonded Turntrans-76.8-19.2176.8-73176.6161.7158.6-7113.6N80 E306 F308N80-R82 VanDerWaalsContact C-N 3.33Å; N80-R82 PolarHBondContact O-N 2.92Å; N80-R82 VanDerWaalsContact OD1-CB 3.3Å; N80-R82 WeakPolarHBondContact OD1-CB 3.27Å; N80-R82 PolarHBondContact OD1-N 3.21Å; R82-E306 IonicContact CZ-OE1 3.4Å; R82-E306 IonicContact NE-OE1 3.37Å; R82-E306 PolarHBondContact NE-OE1 2.95Å; R82-E306 IonicContact NH2-OE1 2.67Å; R82-E306 PolarHBondContact NH2-OE1 2.87Å; R82-E306 IonicContact NH2-OE2 3.17Å; R82-E306 PolarHBondContact NH2-OE2 2.85Å; R82-F308 HydrophobicContact CG-CD2 3.92Å; R82-F308 HydrophobicContact CG-CE2 3.82Å; R82-F308 VanDerWaalsContact CZ-CD2 3.46Å; R82-F308 VanDerWaalsContact NE-CD2 3.28Å
83F92.4Very high96.7Very high129 Ų12980.3 Ų80.357%0.56641%0.406SS*.SBendtrans-84.8136.2170.6-57.8-77.4000109.4T79 S81 H85T79-F83 HydrophobicContact CG2-CD2 3.95Å; T79-F83 HydrophobicContact CG2-CE2 4.49Å; S81-F83 VanDerWaalsContact C-N 3.34Å; F83-H85 PolarHBondContact O-N 3.2Å
84L94.5Very high96.7Very high167 Ų16783.5 Ų83.587%0.87442%0.417SS*.  trans-59.9122.7179.1-174.465.9000110.1
85H97.8Very high96.7Very high40 Ų4078 Ų7819%0.18539%0.39CS..  trans-147126.5-177.7-166.1-70000111.9Q73 F83 N87 L88 P315Q73-H85 PolarHBondContact NE2-NE2 3.45Å; F83-H85 PolarHBondContact O-N 3.2Å; H85-N87 PolarHBondContact CE1-ND2 3.34Å; H85-N87 PolarHBondContact CE1-OD1 2.64Å; H85-N87 PolarHBondContact ND1-N 2.84Å; H85-N87 PolarHBondContact O-N 3.04Å; H85-L88 WeakPolarHBondContact O-CB 3.35Å; H85-L88 PolarHBondContact O-N 3.05Å; H85-L88 VanDerWaalsContact O-N 3.14Å; H85-P315 HydrophobicContact CB-CG 4.39Å
86D98.2Very high96.7Very high109 Ų10972.3 Ų72.358%0.58337%0.366SS*.Hα-helixtrans-58.7-43.9-170.1-62.8-10.2000113.6L88 V89 Q90D86-L88 PolarHBondContact O-N 3Å; D86-V89 PolarHBondContact O-N 3.35Å; D86-Q90 WeakPolarHBondContact O-CB 3.38Å; D86-Q90 WeakPolarHBondContact O-CG 3.09Å; D86-Q90 PolarHBondContact O-N 3.37Å
87N98.4Very high96.7Very high24 Ų2470.2 Ų70.213%0.12837%0.367CS..Hα-helixtrans-51.1-34.5179.2-58.45000113.2Q73 H85 Y91 P315 C318 L322Q73-N87 PolarHBondContact OE1-ND2 3.33Å; H85-N87 PolarHBondContact CE1-ND2 3.34Å; H85-N87 PolarHBondContact CE1-OD1 2.64Å; H85-N87 PolarHBondContact ND1-N 2.84Å; H85-N87 PolarHBondContact O-N 3.04Å; N87-Y91 WeakPolarHBondContact O-CB 3.23Å; N87-Y91 PolarHBondContact O-N 2.98Å; N87-P315 PolarHBondContact ND2-O 3.45Å; N87-P315 VanDerWaalsContact ND2-O 3.15Å; N87-C318 HydrophobicContact CB-CB 3.74Å; N87-C318 WeakPolarHBondContact O-CB 3.27Å; N87-L322 HydrophobicContact CB-CD1 4.35Å
88L97.8Very high96.8Very high40 Ų4068.5 Ų68.521%0.20936%0.359CS..Hα-helixtrans-65.3-48.3-179.7178.365.6000111H85 D86 A92 F108H85-L88 WeakPolarHBondContact O-CB 3.35Å; H85-L88 PolarHBondContact O-N 3.05Å; H85-L88 VanDerWaalsContact O-N 3.14Å; D86-L88 PolarHBondContact O-N 3Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 3.02Å; L88-F108 HydrophobicContact CD1-CD2 3.45Å; L88-F108 VanDerWaalsContact CD1-CD2 3.45Å; L88-F108 HydrophobicContact CD1-CE2 3.59Å; L88-F108 HydrophobicContact CD1-CG 4.43Å
89V97.7Very high96.8Very high89 Ų8964.5 Ų64.554%0.53934%0.338SS..Hα-helixtrans-73.1-43.5-178.5-176.20000110.5D86 Y91 A92 Q93D86-V89 PolarHBondContact O-N 3.35Å; V89-Y91 VanDerWaalsContact C-N 3.3Å; V89-Y91 PolarHBondContact O-N 3.02Å; V89-A92 PolarHBondContact O-N 2.84Å; V89-Q93 WeakPolarHBondContact O-CB 3.45Å; V89-Q93 PolarHBondContact O-N 3.46Å
90Q98.6Very high96.9Very high89 Ų8963.9 Ų63.942%0.41633%0.334SS..Hα-helixtrans-59.2-41.8174.8-69.9175.84.900111.5D86 R94 L322D86-Q90 WeakPolarHBondContact O-CB 3.38Å; D86-Q90 WeakPolarHBondContact O-CG 3.09Å; D86-Q90 PolarHBondContact O-N 3.37Å; Q90-R94 WeakPolarHBondContact O-CB 3.31Å; Q90-R94 WeakPolarHBondContact O-CG 3.34Å; Q90-R94 PolarHBondContact O-N 2.8Å; Q90-L322 HydrophobicContact CB-CD1 4.25Å; Q90-L322 HydrophobicContact CB-CD2 4.43Å
91Y98.7Very high97.1Very high0 Ų071.1 Ų71.10%037%0.367CS..Hα-helixtrans-70.6-44.2178.8-171.7-124.6000112.2N87 V89 Q93 R94 L95 F108 I281 M287 G321 L322 L325N87-Y91 WeakPolarHBondContact O-CB 3.23Å; N87-Y91 PolarHBondContact O-N 2.98Å; V89-Y91 VanDerWaalsContact C-N 3.3Å; V89-Y91 PolarHBondContact O-N 3.02Å; Y91-Q93 VanDerWaalsContact C-N 3.31Å; Y91-Q93 PolarHBondContact O-N 3.12Å; Y91-R94 PolarHBondContact O-N 3.38Å; Y91-L95 HydrophobicContact CE1-CD2 4.39Å; Y91-L95 WeakPolarHBondContact O-CB 3.4Å; Y91-L95 PolarHBondContact O-N 3.05Å; Y91-F108 AromaticContact CD1-CE1 3.55Å; Y91-F108 HydrophobicContact CD1-CE1 3.55Å; Y91-F108 AromaticContact CD1-CZ 3.72Å; Y91-F108 HydrophobicContact CD1-CZ 3.72Å; Y91-F108 AromaticContact CE1-CE1 3.66Å; Y91-F108 HydrophobicContact CE1-CE1 3.66Å; Y91-F108 HydrophobicContact CE1-CZ 4.26Å; Y91-I281 HydrophobicContact CE1-CD1 4.3Å; Y91-I281 HydrophobicContact CE1-CG1 4.32Å; Y91-I281 WeakPolarHBondContact OH-CG1 2.97Å; Y91-M287 HydrophobicContact CD1-CE 3.62Å; Y91-M287 HydrophobicContact CE1-CE 3.47Å; Y91-M287 VanDerWaalsContact CE1-CE 3.47Å; Y91-M287 HydrophobicContact CE1-SD 3.95Å; Y91-G321 VanDerWaalsContact CE2-CA 3.48Å; Y91-G321 VanDerWaalsContact CE2-O 3.28Å; Y91-G321 WeakPolarHBondContact CE2-O 3.43Å; Y91-L322 HydrophobicContact CD2-CD2 4.01Å; Y91-L322 HydrophobicContact CD2-CG 3.84Å; Y91-L322 HydrophobicContact CG-CG 4.32Å; Y91-L325 HydrophobicContact CD2-CD1 4.08Å; Y91-L325 HydrophobicContact CE2-CD1 3.57Å; Y91-L325 HydrophobicContact CE2-CG 4.02Å
92A98.6Very high97.5Very high22 Ų2273.1 Ų73.118%0.18237%0.371CS..Hα-helixtrans-55.9-46.4173.100000111.6L88 V89 L95 T96 C106 F108L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 3.02Å; V89-A92 PolarHBondContact O-N 2.84Å; A92-L95 PolarHBondContact O-N 3.15Å; A92-T96 WeakPolarHBondContact O-CG2 3.5Å; A92-T96 PolarHBondContact O-N 3.36Å; A92-T96 PolarHBondContact O-OG1 3.29Å; A92-T96 VanDerWaalsContact O-OG1 3.08Å; A92-C106 HydrophobicContact CB-CB 4.16Å; A92-F108 HydrophobicContact CB-CE2 4.15Å; A92-F108 HydrophobicContact CB-CZ 4.17Å
93Q98.6Very high97.8Very high136 Ų13666.8 Ų66.864%0.63635%0.347SS*.Hα-helixtrans-62.4-46.8177.8-174.6-175.921.500112.7V89 Y91 L95 T96 A97V89-Q93 WeakPolarHBondContact O-CB 3.45Å; V89-Q93 PolarHBondContact O-N 3.46Å; Y91-Q93 VanDerWaalsContact C-N 3.31Å; Y91-Q93 PolarHBondContact O-N 3.12Å; Q93-L95 VanDerWaalsContact C-N 3.26Å; Q93-L95 PolarHBondContact O-N 2.75Å; Q93-T96 PolarHBondContact O-OG1 3.02Å; Q93-A97 VanDerWaalsContact O-CB 3.3Å; Q93-A97 WeakPolarHBondContact O-CB 3.32Å; Q93-A97 PolarHBondContact O-N 2.94Å; Q93-A97 VanDerWaalsContact O-N 3.11Å
94R98.7Very high98.1Very high83 Ų8362.9 Ų62.931%0.31334%0.336SS..Hα-helixtrans-64-33.2176.8-77-66.8-56.4-91.212.5112.1Q90 Y91 L322 L325 E329Q90-R94 WeakPolarHBondContact O-CB 3.31Å; Q90-R94 WeakPolarHBondContact O-CG 3.34Å; Q90-R94 PolarHBondContact O-N 2.8Å; Y91-R94 PolarHBondContact O-N 3.38Å; R94-L322 HydrophobicContact CB-CD2 4.27Å; R94-L322 HydrophobicContact CG-CD2 3.9Å; R94-L325 HydrophobicContact CB-CD1 3.75Å; R94-E329 IonicContact CZ-OE2 3.5Å; R94-E329 IonicContact NH2-OE2 3.64Å; R94-E329 PolarHBondContact NH2-OE2 3.09Å
95L98.6Very high98.3Very high0 Ų056.6 Ų56.60%030%0.304CS..Hα-helixtrans-75.8-48.5-179.1-17562.9000112Y91 A92 Q93 A97 T98 F108 F253 W261 M277 C289 V291Y91-L95 HydrophobicContact CE1-CD2 4.39Å; Y91-L95 WeakPolarHBondContact O-CB 3.4Å; Y91-L95 PolarHBondContact O-N 3.05Å; A92-L95 PolarHBondContact O-N 3.15Å; Q93-L95 VanDerWaalsContact C-N 3.26Å; Q93-L95 PolarHBondContact O-N 2.75Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.25Å; L95-T98 PolarHBondContact O-N 3.22Å; L95-T98 PolarHBondContact O-OG1 2.52Å; L95-F108 HydrophobicContact CD2-CE1 4.22Å; L95-F253 HydrophobicContact CD1-CE1 4.3Å; L95-F253 HydrophobicContact CD1-CZ 3.99Å; L95-W261 HydrophobicContact CD1-CH2 4.19Å; L95-W261 HydrophobicContact CD1-CZ2 4Å; L95-M277 HydrophobicContact CD1-CE 4.43Å; L95-M277 HydrophobicContact CD1-SD 3.77Å; L95-M277 HydrophobicContact CD2-SD 3.72Å; L95-M277 HydrophobicContact CG-SD 4.13Å; L95-C289 HydrophobicContact CD2-CB 4.18Å; L95-V291 HydrophobicContact CD2-CG2 4.3Å
96T98.6Very high98.3Very high33 Ų3356 Ų5620%0.20230%0.304CS..Hα-helixtrans-66.5-28.3177.455.30000112.5A92 Q93 T98 L99 V291A92-T96 WeakPolarHBondContact O-CG2 3.5Å; A92-T96 PolarHBondContact O-N 3.36Å; A92-T96 PolarHBondContact O-OG1 3.29Å; A92-T96 VanDerWaalsContact O-OG1 3.08Å; Q93-T96 PolarHBondContact O-OG1 3.02Å; T96-T98 PolarHBondContact O-N 3.46Å; T96-T98 VanDerWaalsContact O-N 3.11Å; T96-L99 PolarHBondContact O-N 2.88Å; T96-V291 HydrophobicContact CG2-CG1 4.11Å
97A98.6Very high98.3Very high82 Ų8252.7 Ų52.768%0.67828%0.284SS*.THydrogen-bonded Turntrans-62.7-12.1170.900000114.6Q93 L95Q93-A97 VanDerWaalsContact O-CB 3.3Å; Q93-A97 WeakPolarHBondContact O-CB 3.32Å; Q93-A97 PolarHBondContact O-N 2.94Å; Q93-A97 VanDerWaalsContact O-N 3.11Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.25Å
98T98.4Very high98.3Very high37 Ų3752.5 Ų52.523%0.22728%0.282CS..THydrogen-bonded Turntrans-93.6-4.3171.771.80000113.6L95 T96 F260 W261L95-T98 PolarHBondContact O-N 3.22Å; L95-T98 PolarHBondContact O-OG1 2.52Å; T96-T98 PolarHBondContact O-N 3.46Å; T96-T98 VanDerWaalsContact O-N 3.11Å; T98-F260 HydrophobicContact CG2-CD1 4.19Å; T98-F260 HydrophobicContact CG2-CE1 3.99Å; T98-F260 HydrophobicContact CG2-CE2 4.38Å; T98-F260 HydrophobicContact CG2-CG 4.46Å; T98-F260 HydrophobicContact CG2-CZ 4.09Å; T98-W261 PolarHBondContact O-NE1 3.17Å; T98-W261 WeakPolarHBondContact OG1-CZ2 3.42Å; T98-W261 PolarHBondContact OG1-NE1 3.23Å
99L98.6Very high98.3Very high16 Ų1650.6 Ų50.68%0.08427%0.272CS..SBendtrans-112.4157.1-174.7-73.7164.6000111T96 L103 W261 F263 V275 M277 V291T96-L99 PolarHBondContact O-N 2.88Å; L99-L103 HydrophobicContact CB-CB 4.08Å; L99-L103 HydrophobicContact CD1-CB 4.34Å; L99-L103 HydrophobicContact CD2-CD1 4.13Å; L99-W261 VanDerWaalsContact CD2-CD1 3.49Å; L99-W261 HydrophobicContact CD2-CD2 4.04Å; L99-W261 HydrophobicContact CD2-CG 3.96Å; L99-W261 HydrophobicContact CD2-CZ2 4.32Å; L99-W261 HydrophobicContact CG-CZ2 4.32Å; L99-F263 HydrophobicContact CD2-CE1 3.9Å; L99-F263 HydrophobicContact CD2-CZ 4Å; L99-V275 HydrophobicContact CD2-CG2 4.26Å; L99-M277 HydrophobicContact CD1-CE 4.36Å; L99-V291 HydrophobicContact CD1-CB 3.76Å; L99-V291 HydrophobicContact CD1-CG1 3.64Å; L99-V291 HydrophobicContact CD1-CG2 3.82Å
100P97.9Very high98.3Very high32 Ų3247.5 Ų47.521%0.20825%0.252CS..  trans-57.8145.3169.4-27.437.4000112.9K102 L103 F263 V271P100-K102 VanDerWaalsContact C-N 3.28Å; P100-K102 PolarHBondContact O-N 3.32Å; P100-L103 WeakPolarHBondContact O-CB 3.46Å; P100-L103 PolarHBondContact O-N 2.77Å; P100-F263 HydrophobicContact CG-CE2 4.19Å; P100-F263 HydrophobicContact CG-CZ 4.2Å; P100-V271 HydrophobicContact CB-CB 4.43Å; P100-V271 HydrophobicContact CB-CG1 3.58Å; P100-V271 HydrophobicContact CB-CG2 3.88Å; P100-V271 HydrophobicContact CG-CG1 3.84Å; P100-V271 HydrophobicContact CG-CG2 4.07Å
101E97Very high98.3Very high191 Ų19145 Ų4589%0.89325%0.245SC*.THydrogen-bonded Turntrans-49.7-37.1-165.4-172.6177.8-176.800115.5L103E101-L103 PolarHBondContact O-N 3.07Å
102K97.4Very high98.3Very high82 Ų8245.5 Ų45.536%0.35725%0.25SC..THydrogen-bonded Turntrans-62.8-29179.977.1171.3-174.8177.60113.1P100 S104 V271 P272 D273 T293P100-K102 VanDerWaalsContact C-N 3.28Å; P100-K102 PolarHBondContact O-N 3.32Å; K102-S104 PolarHBondContact O-N 2.81Å; K102-S104 VanDerWaalsContact O-N 3.09Å; K102-S104 PolarHBondContact O-OG 2.72Å; K102-V271 HydrophobicContact CD-CG1 4.16Å; K102-V271 WeakPolarHBondContact CE-O 3.19Å; K102-V271 HydrophobicContact CG-CG1 3.98Å; K102-V271 PolarHBondContact NZ-O 3.33Å; K102-P272 WeakPolarHBondContact CE-O 3.49Å; K102-P272 PolarHBondContact NZ-O 3.16Å; K102-D273 IonicContact NZ-OD1 2.73Å; K102-D273 PolarHBondContact NZ-OD1 2.8Å; K102-T293 HydrophobicContact CB-CG2 4.31Å; K102-T293 HydrophobicContact CD-CG2 3.96Å; K102-T293 HydrophobicContact CG-CG2 4.05Å; K102-T293 WeakPolarHBondContact O-CA 3.42Å
103L98.8Very high98.3Very high2 Ų245 Ų451%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-8578.1-176.7-70.2169.5000110.8L99 P100 E101 V271 P272 D273 V275 V291L99-L103 HydrophobicContact CB-CB 4.08Å; L99-L103 HydrophobicContact CD1-CB 4.34Å; L99-L103 HydrophobicContact CD2-CD1 4.13Å; P100-L103 WeakPolarHBondContact O-CB 3.46Å; P100-L103 PolarHBondContact O-N 2.77Å; E101-L103 PolarHBondContact O-N 3.07Å; L103-V271 HydrophobicContact CD1-CG1 3.9Å; L103-V271 HydrophobicContact CG-CG1 4.34Å; L103-P272 HydrophobicContact CD1-CG 4.27Å; L103-D273 WeakPolarHBondContact CD2-O 3.36Å; L103-V275 HydrophobicContact CD1-CG2 3.68Å; L103-V275 HydrophobicContact CD2-CG2 4.43Å; L103-V291 HydrophobicContact CB-CG1 4.03Å; L103-V291 WeakPolarHBondContact O-CG1 3.41Å
104S98.6Very high98.3Very high47 Ų4741.3 Ų41.333%0.32923%0.228SC..EExtended strand (participates in β ladder)trans-118-6.1-163.455.10000115.4K102 T292K102-S104 PolarHBondContact O-N 2.81Å; K102-S104 VanDerWaalsContact O-N 3.09Å; K102-S104 PolarHBondContact O-OG 2.72Å; S104-T292 PolarHBondContact N-O 3.38Å; S104-T292 VanDerWaalsContact N-O 3.13Å
105V98.6Very high98.3Very high35 Ų3537.4 Ų37.421%0.21221%0.213CC..EExtended strand (participates in β ladder)trans-118.8119.8-176.8-174.70000111.6Y107 V291 T292 R294 A297V105-Y107 HydrophobicContact CG1-CE2 4.09Å; V105-V291 VanDerWaalsContact O-CA 3.31Å; V105-V291 WeakPolarHBondContact O-CA 3.26Å; V105-T292 HydrophobicContact CB-CG2 4.49Å; V105-T292 PolarHBondContact N-O 2.91Å; V105-T292 VanDerWaalsContact N-O 3.08Å; V105-T292 PolarHBondContact O-N 2.84Å; V105-R294 HydrophobicContact CG2-CB 4.24Å; V105-A297 HydrophobicContact CB-CB 4Å; V105-A297 HydrophobicContact CG1-CB 3.72Å; V105-A297 HydrophobicContact CG2-CB 4.1Å
106C98.6Very high98.3Very high27 Ų2737.4 Ų37.418%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-97133.8179.6-61.70000112.7A92 F108 V290A92-C106 HydrophobicContact CB-CB 4.16Å; C106-F108 HydrophobicContact CB-CD2 4.47Å; C106-F108 HydrophobicContact CB-CE2 3.83Å; C106-F108 HydrophobicContact CB-CZ 3.92Å; C106-V290 CarbonylContact C-O 3.48Å; C106-V290 WeakPolarHBondContact CA-O 3.3Å
107Y98.3Very high98.3Very high40 Ų4038.1 Ų38.116%0.15722%0.216CC..EExtended strand (participates in β ladder)trans-114.4127.5160.5-62.2-96.3000108.9V105 L118 L122 C289 V290 T292 A297 F300 Y307V105-Y107 HydrophobicContact CG1-CE2 4.09Å; Y107-L118 VanDerWaalsContact CB-CD2 3.44Å; Y107-L118 HydrophobicContact CD1-CD2 4.25Å; Y107-L118 HydrophobicContact CG-CD2 3.9Å; Y107-L122 HydrophobicContact CD2-CD1 4.28Å; Y107-L122 HydrophobicContact CE2-CD1 4.3Å; Y107-L122 HydrophobicContact CE2-CD2 4.02Å; Y107-C289 CarbonylContact O-C 3.52Å; Y107-C289 VanDerWaalsContact O-CA 3.29Å; Y107-C289 WeakPolarHBondContact O-CA 3.32Å; Y107-C289 PolarHBondContact O-SG 3.25Å; Y107-V290 PolarHBondContact N-O 3Å; Y107-V290 PolarHBondContact O-N 3.02Å; Y107-T292 HydrophobicContact CD2-CG2 4.39Å; Y107-T292 HydrophobicContact CE2-CG2 3.92Å; Y107-A297 HydrophobicContact CE2-CB 4.17Å; Y107-A297 WeakPolarHBondContact OH-CA 3.2Å; Y107-A297 WeakPolarHBondContact OH-CB 3.28Å; Y107-F300 HydrophobicContact CE1-CD1 4.29Å; Y107-F300 HydrophobicContact CE1-CE1 4.48Å; Y107-Y307 HydrophobicContact CD1-CD1 4.2Å
108F98.2Very high98.3Very high19 Ų1934.3 Ų34.38%0.08318%0.184CC..EExtended strand (participates in β ladder)trans-102.4140.6-179.3-65.4-75.5000112.3L88 Y91 A92 L95 C106 M287 C289 G312L88-F108 HydrophobicContact CD1-CD2 3.45Å; L88-F108 VanDerWaalsContact CD1-CD2 3.45Å; L88-F108 HydrophobicContact CD1-CE2 3.59Å; L88-F108 HydrophobicContact CD1-CG 4.43Å; Y91-F108 AromaticContact CD1-CE1 3.55Å; Y91-F108 HydrophobicContact CD1-CE1 3.55Å; Y91-F108 AromaticContact CD1-CZ 3.72Å; Y91-F108 HydrophobicContact CD1-CZ 3.72Å; Y91-F108 AromaticContact CE1-CE1 3.66Å; Y91-F108 HydrophobicContact CE1-CE1 3.66Å; Y91-F108 HydrophobicContact CE1-CZ 4.26Å; A92-F108 HydrophobicContact CB-CE2 4.15Å; A92-F108 HydrophobicContact CB-CZ 4.17Å; L95-F108 HydrophobicContact CD2-CE1 4.22Å; C106-F108 HydrophobicContact CB-CD2 4.47Å; C106-F108 HydrophobicContact CB-CE2 3.83Å; C106-F108 HydrophobicContact CB-CZ 3.92Å; F108-M287 HydrophobicContact CD1-CE 3.69Å; F108-M287 HydrophobicContact CE1-CE 3.94Å; F108-M287 HydrophobicContact CG-CE 4.42Å; F108-C289 HydrophobicContact CD1-CB 3.8Å; F108-C289 HydrophobicContact CE1-CB 3.93Å; F108-C289 VanDerWaalsContact CE1-SG 3.58Å; F108-G312 VanDerWaalsContact O-CA 3.3Å; F108-G312 WeakPolarHBondContact O-CA 3.38Å
109V98.1Very high98.3Very high0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-146.3-178.5-175.1-57.30000110E114 A115 L118 M287 S288 Y307V109-E114 HydrophobicContact CB-CB 3.71Å; V109-E114 WeakPolarHBondContact CB-OE2 3.35Å; V109-E114 HydrophobicContact CG1-CB 4.33Å; V109-E114 HydrophobicContact CG2-CB 3.79Å; V109-A115 HydrophobicContact CG2-CB 3.77Å; V109-L118 HydrophobicContact CG1-CD2 4.13Å; V109-M287 CarbonylContact O-C 3.46Å; V109-S288 PolarHBondContact N-O 3.06Å; V109-S288 PolarHBondContact O-N 3.41Å; V109-Y307 VanDerWaalsContact CG1-OH 3.25Å; V109-Y307 WeakPolarHBondContact CG1-OH 3.24Å
110N97.4Very high98.3Very high25 Ų2531.8 Ų31.813%0.13417%0.169CC..SBendtrans-102.2-18-168.4-46.9-57000114.4E114 P286 M287 N309 F311 G312N110-E114 WeakPolarHBondContact CB-OE1 3.49Å; N110-E114 WeakPolarHBondContact CB-OE2 3.28Å; N110-E114 PolarHBondContact N-OE2 2.85Å; N110-E114 PolarHBondContact ND2-OE1 3.27Å; N110-E114 PolarHBondContact ND2-OE2 2.86Å; N110-P286 CarbonylContact O-C 3.58Å; N110-M287 PolarHBondContact O-N 3.19Å; N110-N309 PolarHBondContact ND2-ND2 3.41Å; N110-N309 PolarHBondContact ND2-OD1 3.43Å; N110-F311 WeakPolarHBondContact OD1-CB 3.18Å; N110-F311 PolarHBondContact OD1-O 3.01Å; N110-G312 PolarHBondContact OD1-N 2.73Å
111S98.3Very high98.3Very high37 Ų3734.5 Ų34.526%0.25918%0.175SC..SBendtrans-150.7158.2179.975.70000112.3S113 E114 A115 S288S111-S113 PolarHBondContact O-N 2.79Å; S111-S113 VanDerWaalsContact O-N 3.12Å; S111-S113 PolarHBondContact OG-N 2.88Å; S111-E114 WeakPolarHBondContact O-CA 3.28Å; S111-E114 WeakPolarHBondContact O-CB 3.48Å; S111-E114 PolarHBondContact O-N 3.05Å; S111-E114 PolarHBondContact OG-N 3.38Å; S111-A115 PolarHBondContact O-N 3.09Å; S111-S288 WeakPolarHBondContact CA-OG 3.42Å; S111-S288 WeakPolarHBondContact O-CB 3.41Å; S111-S288 PolarHBondContact O-OG 3.19Å
112G98.3Very high98.4Very high10 Ų1025.4 Ų25.410%0.10313%0.133CC..Hα-helixtrans-60.2-23.3176.200000112.8A115 N116 S288G112-A115 PolarHBondContact O-N 3.22Å; G112-N116 WeakPolarHBondContact O-CB 3.21Å; G112-N116 PolarHBondContact O-N 3.15Å; G112-N116 PolarHBondContact O-ND2 2.72Å; G112-S288 PolarHBondContact N-OG 3.05Å
113S98.5Very high98.5Very high11 Ų1121.7 Ų21.78%0.07712%0.117CC..Hα-helixtrans-75.4-31.2172.1-60.90000113.3S111 D117 G141 H142 L146S111-S113 PolarHBondContact O-N 2.79Å; S111-S113 VanDerWaalsContact O-N 3.12Å; S111-S113 PolarHBondContact OG-N 2.88Å; S113-D117 WeakPolarHBondContact O-CB 3.47Å; S113-D117 PolarHBondContact O-N 2.91Å; S113-G141 WeakPolarHBondContact OG-CA 3.35Å; S113-H142 PolarHBondContact OG-N 2.75Å; S113-H142 PolarHBondContact OG-ND1 3.34Å; S113-L146 WeakPolarHBondContact O-CD1 3.47Å
114E98.6Very high98.5Very high59 Ų5923.9 Ų23.928%0.27613%0.125SC..Hα-helixtrans-72-33.7168-67.9176.3-156.600111.2V109 N110 S111 L118 N309V109-E114 HydrophobicContact CB-CB 3.71Å; V109-E114 WeakPolarHBondContact CB-OE2 3.35Å; V109-E114 HydrophobicContact CG1-CB 4.33Å; V109-E114 HydrophobicContact CG2-CB 3.79Å; N110-E114 WeakPolarHBondContact CB-OE1 3.49Å; N110-E114 WeakPolarHBondContact CB-OE2 3.28Å; N110-E114 PolarHBondContact N-OE2 2.85Å; N110-E114 PolarHBondContact ND2-OE1 3.27Å; N110-E114 PolarHBondContact ND2-OE2 2.86Å; S111-E114 WeakPolarHBondContact O-CA 3.28Å; S111-E114 WeakPolarHBondContact O-CB 3.48Å; S111-E114 PolarHBondContact O-N 3.05Å; S111-E114 PolarHBondContact OG-N 3.38Å; E114-L118 WeakPolarHBondContact O-CB 3.43Å; E114-L118 PolarHBondContact O-N 2.78Å; E114-N309 PolarHBondContact OE2-ND2 2.63Å
115A98.8Very high98.4Very high0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-67.9-48.817900000111.6V109 S111 G112 D117 L118 A119 V290V109-A115 HydrophobicContact CG2-CB 3.77Å; S111-A115 PolarHBondContact O-N 3.09Å; G112-A115 PolarHBondContact O-N 3.22Å; A115-D117 PolarHBondContact O-N 2.93Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-A119 WeakPolarHBondContact O-CB 3.35Å; A115-A119 PolarHBondContact O-N 3.43Å; A115-V290 HydrophobicContact CB-CG2 3.77Å; A115-V290 WeakPolarHBondContact O-CG2 3.38Å
116N98.9Very high98.4Very high1 Ų126.1 Ų26.11%0.00513%0.126CC..Hα-helixtrans-66-35.3176-78.3-30.1000112.5G112 A119 L120 H140 L146 D247 T276G112-N116 WeakPolarHBondContact O-CB 3.21Å; G112-N116 PolarHBondContact O-N 3.15Å; G112-N116 PolarHBondContact O-ND2 2.72Å; N116-A119 PolarHBondContact O-N 2.8Å; N116-L120 WeakPolarHBondContact O-CG 3.18Å; N116-L120 PolarHBondContact O-N 3.37Å; N116-H140 HydrophobicContact CB-CB 4.48Å; N116-H140 PolarHBondContact ND2-O 3.16Å; N116-L146 HydrophobicContact CB-CD1 3.47Å; N116-L146 VanDerWaalsContact CB-CD1 3.47Å; N116-L146 HydrophobicContact CB-CD2 3.69Å; N116-L146 HydrophobicContact CB-CG 4.25Å; N116-D247 PolarHBondContact ND2-OD2 3.06Å; N116-T276 VanDerWaalsContact OD1-CB 3.27Å; N116-T276 WeakPolarHBondContact OD1-CB 3.38Å; N116-T276 VanDerWaalsContact OD1-CG2 3.27Å; N116-T276 WeakPolarHBondContact OD1-CG2 3.5Å; N116-T276 PolarHBondContact OD1-OG1 3.18Å
117D98.6Very high98.3Very high48 Ų4829.1 Ų29.126%0.25714%0.138SC..Hα-helixtrans-62.8-45.9172.8-177.480.1000111.8S113 A115 A119 L120 R121 V143 S145S113-D117 WeakPolarHBondContact O-CB 3.47Å; S113-D117 PolarHBondContact O-N 2.91Å; A115-D117 PolarHBondContact O-N 2.93Å; D117-A119 PolarHBondContact O-N 3.49Å; D117-L120 PolarHBondContact O-N 3.45Å; D117-R121 WeakPolarHBondContact O-CG 3.4Å; D117-R121 PolarHBondContact O-N 3.01Å; D117-V143 HydrophobicContact CB-CG2 4.28Å; D117-S145 WeakPolarHBondContact OD1-CB 3.28Å; D117-S145 PolarHBondContact OD1-OG 2.57Å
118L98.6Very high98.2Very high1 Ų129.6 Ų29.61%0.00515%0.154CC..Hα-helixtrans-64.2-38.4175.8179.759.2000112.2Y107 V109 E114 A115 L120 R121 L122 V290 F300 Y307Y107-L118 VanDerWaalsContact CB-CD2 3.44Å; Y107-L118 HydrophobicContact CD1-CD2 4.25Å; Y107-L118 HydrophobicContact CG-CD2 3.9Å; V109-L118 HydrophobicContact CG1-CD2 4.13Å; E114-L118 WeakPolarHBondContact O-CB 3.43Å; E114-L118 PolarHBondContact O-N 2.78Å; A115-L118 PolarHBondContact O-N 3.4Å; L118-L120 VanDerWaalsContact C-N 3.35Å; L118-L120 PolarHBondContact O-N 2.69Å; L118-R121 WeakPolarHBondContact O-CB 3.45Å; L118-R121 PolarHBondContact O-N 3.26Å; L118-R121 VanDerWaalsContact O-N 3.11Å; L118-L122 HydrophobicContact CD1-CG 4.33Å; L118-L122 HydrophobicContact CG-CD1 4.15Å; L118-L122 HydrophobicContact CG-CG 4.39Å; L118-L122 WeakPolarHBondContact O-CG 3.06Å; L118-L122 PolarHBondContact O-N 3.34Å; L118-V290 HydrophobicContact CB-CG2 4.14Å; L118-V290 HydrophobicContact CD2-CB 4.48Å; L118-V290 HydrophobicContact CD2-CG2 4.07Å; L118-V290 HydrophobicContact CG-CG2 4.27Å; L118-F300 HydrophobicContact CD1-CE1 4.21Å; L118-F300 HydrophobicContact CD1-CZ 3.99Å; L118-Y307 HydrophobicContact CD1-CD2 3.99Å; L118-Y307 HydrophobicContact CD1-CE2 3.71Å; L118-Y307 HydrophobicContact CD2-CE1 4.03Å; L118-Y307 HydrophobicContact CD2-CE2 4.26Å
119A98.9Very high98.2Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-61.2-41.1175.200000112.5A115 N116 D117 R121 L122 A123 I245 I274 T276 V290A115-A119 WeakPolarHBondContact O-CB 3.35Å; A115-A119 PolarHBondContact O-N 3.43Å; N116-A119 PolarHBondContact O-N 2.8Å; D117-A119 PolarHBondContact O-N 3.49Å; A119-R121 VanDerWaalsContact C-N 3.32Å; A119-R121 PolarHBondContact O-N 3.21Å; A119-L122 PolarHBondContact O-N 3.16Å; A119-A123 WeakPolarHBondContact O-CB 3.45Å; A119-A123 PolarHBondContact O-N 2.84Å; A119-I245 HydrophobicContact CB-CD1 4.15Å; A119-I245 HydrophobicContact CB-CG2 3.95Å; A119-I274 HydrophobicContact CB-CG2 3.8Å; A119-T276 HydrophobicContact CB-CG2 3.47Å; A119-T276 VanDerWaalsContact CB-CG2 3.47Å; A119-V290 HydrophobicContact CB-CG1 4.36Å
120L98.8Very high98.2Very high1 Ų135 Ų351%0.00518%0.18CC..Hα-helixtrans-63.8-36.9172.1-67.2-174.5000112.3N116 D117 L118 R124 V132 L146 I149 I245N116-L120 WeakPolarHBondContact O-CG 3.18Å; N116-L120 PolarHBondContact O-N 3.37Å; D117-L120 PolarHBondContact O-N 3.45Å; L118-L120 VanDerWaalsContact C-N 3.35Å; L118-L120 PolarHBondContact O-N 2.69Å; L120-R124 WeakPolarHBondContact O-CB 3.27Å; L120-R124 WeakPolarHBondContact O-CG 2.93Å; L120-R124 PolarHBondContact O-N 3.12Å; L120-V132 HydrophobicContact CD2-CG1 4.05Å; L120-V132 HydrophobicContact CD2-CG2 3.93Å; L120-L146 HydrophobicContact CD1-CD2 3.81Å; L120-L146 HydrophobicContact CG-CD2 4.44Å; L120-I149 HydrophobicContact CD1-CD1 3.9Å; L120-I149 HydrophobicContact CD1-CG1 4.31Å; L120-I149 HydrophobicContact CD2-CD1 4.21Å; L120-I149 HydrophobicContact CG-CD1 4.43Å; L120-I245 HydrophobicContact CD2-CD1 4.15Å
121R98.1Very high98.3Very high89 Ų8934 Ų3434%0.33617%0.174SC..Hα-helixtrans-67.2-43.5175.7-71.517557.3175.8-3.9112.3D117 L118 A119 Q125 F300 L305D117-R121 WeakPolarHBondContact O-CG 3.4Å; D117-R121 PolarHBondContact O-N 3.01Å; L118-R121 WeakPolarHBondContact O-CB 3.45Å; L118-R121 PolarHBondContact O-N 3.26Å; L118-R121 VanDerWaalsContact O-N 3.11Å; A119-R121 VanDerWaalsContact C-N 3.32Å; A119-R121 PolarHBondContact O-N 3.21Å; R121-Q125 WeakPolarHBondContact O-CB 3.48Å; R121-Q125 PolarHBondContact O-N 3.33Å; R121-F300 HydrophobicContact CB-CE2 4.21Å; R121-L305 VanDerWaalsContact NH2-CD2 3.3Å
122L98.6Very high98.3Very high0 Ų032.2 Ų32.20%016%0.162CC..Hα-helixtrans-58.7-53.4175-72.8165.9000110.6Y107 L118 A119 R124 Q125 Y126 I274 V290 T292 I296 F300Y107-L122 HydrophobicContact CD2-CD1 4.28Å; Y107-L122 HydrophobicContact CE2-CD1 4.3Å; Y107-L122 HydrophobicContact CE2-CD2 4.02Å; L118-L122 HydrophobicContact CD1-CG 4.33Å; L118-L122 HydrophobicContact CG-CD1 4.15Å; L118-L122 HydrophobicContact CG-CG 4.39Å; L118-L122 WeakPolarHBondContact O-CG 3.06Å; L118-L122 PolarHBondContact O-N 3.34Å; A119-L122 PolarHBondContact O-N 3.16Å; L122-R124 PolarHBondContact O-N 3.14Å; L122-Q125 PolarHBondContact O-N 2.88Å; L122-Y126 WeakPolarHBondContact O-CB 3.32Å; L122-Y126 PolarHBondContact O-N 2.97Å; L122-I274 HydrophobicContact CB-CD1 3.86Å; L122-V290 HydrophobicContact CD1-CG1 3.75Å; L122-T292 HydrophobicContact CD1-CG2 4.29Å; L122-I296 HydrophobicContact CB-CG2 3.98Å; L122-I296 HydrophobicContact CD2-CG2 4.33Å; L122-F300 HydrophobicContact CD2-CB 3.63Å; L122-F300 HydrophobicContact CD2-CD1 3.75Å; L122-F300 HydrophobicContact CD2-CD2 3.98Å; L122-F300 HydrophobicContact CD2-CE1 4.35Å; L122-F300 HydrophobicContact CD2-CG 3.54Å
123A98.7Very high98.3Very high3 Ų331.8 Ų31.83%0.02516%0.157CC..Hα-helixtrans-59.4-43.7179.900000113.3A119 A210 V243 I245 I274A119-A123 WeakPolarHBondContact O-CB 3.45Å; A119-A123 PolarHBondContact O-N 2.84Å; A123-A210 HydrophobicContact CB-CB 3.89Å; A123-V243 HydrophobicContact CB-CG2 3.46Å; A123-V243 VanDerWaalsContact CB-CG2 3.46Å; A123-I245 HydrophobicContact CB-CD1 4.15Å; A123-I274 HydrophobicContact CB-CD1 4.27Å
124R98.3Very high98.3Very high48 Ų4831.2 Ų31.218%0.18115%0.154CC..Hα-helixtrans-68.8-38.1177.9-72.9175.2167.9151.9-5.7112.8L120 L122 Y126 G128 H129 Q130 A209L120-R124 WeakPolarHBondContact O-CB 3.27Å; L120-R124 WeakPolarHBondContact O-CG 2.93Å; L120-R124 PolarHBondContact O-N 3.12Å; L122-R124 PolarHBondContact O-N 3.14Å; R124-Y126 VanDerWaalsContact C-N 3.33Å; R124-G128 CarbonylContact O-C 3.45Å; R124-G128 WeakPolarHBondContact O-CA 3.44Å; R124-G128 PolarHBondContact O-N 2.98Å; R124-H129 WeakPolarHBondContact CA-O 3.35Å; R124-H129 WeakPolarHBondContact CB-O 3.29Å; R124-H129 WeakPolarHBondContact CG-O 3.28Å; R124-Q130 PolarHBondContact NE-O 2.95Å; R124-Q130 PolarHBondContact NH2-O 3.19Å; R124-Q130 VanDerWaalsContact NH2-O 3.1Å; R124-A209 HydrophobicContact CG-CB 3.89Å
125Q97.8Very high98.4Very high84 Ų8428.4 Ų28.439%0.39314%0.141SC..Hα-helixtrans-71.4-29.6179.8-172.755.847.100112.4R121 L122 H127 F300R121-Q125 WeakPolarHBondContact O-CB 3.48Å; R121-Q125 PolarHBondContact O-N 3.33Å; L122-Q125 PolarHBondContact O-N 2.88Å; Q125-H127 PolarHBondContact O-N 3.35Å; Q125-F300 HydrophobicContact CB-CD2 3.78Å; Q125-F300 HydrophobicContact CB-CE2 4.44Å; Q125-F300 HydrophobicContact CG-CD2 3.83Å
126Y97.9Very high98.3Very high45 Ų4532.4 Ų32.418%0.17616%0.159CC..Hα-helixtrans-57.8-45.8-174.4-178.3-140.5000113.5L122 R124 V243 E295 I296 A299L122-Y126 WeakPolarHBondContact O-CB 3.32Å; L122-Y126 PolarHBondContact O-N 2.97Å; R124-Y126 VanDerWaalsContact C-N 3.33Å; Y126-V243 HydrophobicContact CD1-CG1 3.64Å; Y126-V243 HydrophobicContact CE1-CG1 3.86Å; Y126-E295 HydrophobicContact CE2-CG 3.84Å; Y126-E295 PolarHBondContact OH-OE1 3Å; Y126-E295 PolarHBondContact OH-OE2 3.25Å; Y126-I296 HydrophobicContact CD1-CG1 3.98Å; Y126-I296 HydrophobicContact CD2-CG1 4.15Å; Y126-I296 HydrophobicContact CE1-CG1 4.07Å; Y126-I296 HydrophobicContact CE2-CG1 4.27Å; Y126-I296 HydrophobicContact CG-CG1 4.03Å; Y126-A299 HydrophobicContact CD2-CB 3.65Å; Y126-A299 HydrophobicContact CE2-CB 4.32Å
127H95.9Very high98.2Very high91 Ų9134.2 Ų34.242%0.42117%0.169SC..Hα-helixtrans-128.69.2178.9-66.5-26.2000114Q125 H129 G241Q125-H127 PolarHBondContact O-N 3.35Å; H127-H129 PolarHBondContact O-CD2 3.43Å; H127-H129 PolarHBondContact O-N 2.9Å; H127-H129 VanDerWaalsContact O-N 3.09Å; H127-G241 PolarHBondContact CD2-O 3.44Å
128G96.7Very high98.2Very high49 Ų4931.9 Ų31.951%0.50516%0.156SC..SBendtrans72.2-5.8-177.900000115.1R124 Q130R124-G128 CarbonylContact O-C 3.45Å; R124-G128 WeakPolarHBondContact O-CA 3.44Å; R124-G128 PolarHBondContact O-N 2.98Å; G128-Q130 PolarHBondContact O-NE2 2.8Å
129H98.4Very high98.2Very high35 Ų3534.6 Ų34.616%0.16217%0.167CC..  trans-58.9154.4174.6-63.2178.8000111.2R124 H127 K207 I208 A209 G241R124-H129 WeakPolarHBondContact CA-O 3.35Å; R124-H129 WeakPolarHBondContact CB-O 3.29Å; R124-H129 WeakPolarHBondContact CG-O 3.28Å; H127-H129 PolarHBondContact O-CD2 3.43Å; H127-H129 PolarHBondContact O-N 2.9Å; H127-H129 VanDerWaalsContact O-N 3.09Å; H129-K207 HydrophobicContact CB-CB 3.98Å; H129-K207 WeakPolarHBondContact CD2-CB 3.36Å; H129-I208 PolarHBondContact ND1-O 3.04Å; H129-A209 HydrophobicContact CB-CB 3.87Å; H129-A209 WeakPolarHBondContact O-CB 3.42Å; H129-G241 PolarHBondContact CE1-O 3.24Å; H129-G241 PolarHBondContact ND1-O 3.01Å
130Q98.3Very high98.1Very high98 Ų9834.9 Ų34.946%0.45817%0.168SC..  trans-122.2-27.5-171.7-64.1-56.3-47.500114.8R124 G128 K207R124-Q130 PolarHBondContact NE-O 2.95Å; R124-Q130 PolarHBondContact NH2-O 3.19Å; R124-Q130 VanDerWaalsContact NH2-O 3.1Å; G128-Q130 PolarHBondContact O-NE2 2.8Å; Q130-K207 PolarHBondContact N-O 2.92Å
131D98.8Very high98.1Very high3 Ų334.9 Ų34.92%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-81.8144-168.2-70.130.2000111.9F165 H167 T201 R206 K207 I208 A209 A210D131-F165 CarbonylContact C-O 3.59Å; D131-F165 VanDerWaalsContact CA-O 3.23Å; D131-F165 WeakPolarHBondContact CA-O 3.37Å; D131-H167 IonicContact OD2-CD2 2.72Å; D131-H167 IonicContact OD2-CE1 3.35Å; D131-H167 IonicContact OD2-NE2 3.97Å; D131-H167 PolarHBondContact OD2-NE2 3.2Å; D131-T201 HydrophobicContact CB-CG2 4.45Å; D131-T201 WeakPolarHBondContact OD2-CG2 3.27Å; D131-R206 IonicContact OD1-CZ 3.91Å; D131-R206 IonicContact OD1-NE 3.18Å; D131-R206 PolarHBondContact OD1-NE 2.76Å; D131-R206 IonicContact OD1-NH2 3.62Å; D131-R206 PolarHBondContact OD1-NH2 2.6Å; D131-R206 IonicContact OD2-CZ 3.68Å; D131-R206 IonicContact OD2-NE 2.7Å; D131-R206 PolarHBondContact OD2-NE 3.34Å; D131-R206 IonicContact OD2-NH2 3.43Å; D131-K207 WeakPolarHBondContact CB-O 3.45Å; D131-K207 PolarHBondContact N-O 2.8Å; D131-K207 VanDerWaalsContact N-O 3.13Å; D131-I208 HydrophobicContact CB-CD1 3.97Å; D131-A209 WeakPolarHBondContact O-CB 3.37Å; D131-A209 PolarHBondContact O-N 2.91Å; D131-A210 PolarHBondContact O-N 2.68Å
132V98.9Very high98Very high1 Ų136.3 Ų36.31%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-127.4128.7-176.3-177.60000109.1L120 I149 F165 V166 H167 A210 I212L120-V132 HydrophobicContact CD2-CG1 4.05Å; L120-V132 HydrophobicContact CD2-CG2 3.93Å; V132-I149 HydrophobicContact CB-CG2 4.18Å; V132-I149 HydrophobicContact CG1-CG2 4.03Å; V132-F165 PolarHBondContact N-O 3.13Å; V132-V166 WeakPolarHBondContact O-CA 3.45Å; V132-H167 PolarHBondContact O-N 2.81Å; V132-A210 WeakPolarHBondContact CA-O 3.4Å; V132-I212 HydrophobicContact CG1-CG2 3.71Å
133I98.9Very high97.9Very high0 Ų038.6 Ų38.60%019%0.193CC..EExtended strand (participates in β ladder)trans-94.8126.4169.9-47-180000108H167 A169 V194 I197 I198 I208 A210 F211 I212I133-H167 WeakPolarHBondContact CA-O 3.47Å; I133-H167 HydrophobicContact CG1-CB 4.24Å; I133-A169 HydrophobicContact CG2-CB 4.06Å; I133-V194 HydrophobicContact CD1-CG1 3.86Å; I133-V194 HydrophobicContact CG2-CG1 4.37Å; I133-I197 HydrophobicContact CD1-CG2 3.82Å; I133-I197 HydrophobicContact CG1-CG2 4.06Å; I133-I197 HydrophobicContact CG2-CG2 4.45Å; I133-I198 HydrophobicContact CD1-CD1 4.18Å; I133-I198 HydrophobicContact CD1-CG1 3.58Å; I133-I208 HydrophobicContact CD1-CD1 3.98Å; I133-I208 HydrophobicContact CD1-CG1 4.42Å; I133-I208 HydrophobicContact CD1-CG2 4.23Å; I133-I208 HydrophobicContact CG1-CD1 3.92Å; I133-I208 HydrophobicContact CG1-CG2 4.26Å; I133-A210 PolarHBondContact N-O 3.03Å; I133-F211 HydrophobicContact CB-CB 4.45Å; I133-F211 HydrophobicContact CB-CD2 3.92Å; I133-F211 HydrophobicContact CG2-CD2 3.81Å; I133-F211 HydrophobicContact CG2-CE2 4.3Å; I133-F211 WeakPolarHBondContact O-CA 3.46Å; I133-I212 PolarHBondContact O-N 2.94Å
134T98.9Very high97.8Very high0 Ų043.8 Ų43.80%022%0.224CC..EExtended strand (participates in β ladder)trans-124.3168.7174-1740000109.8I149 P151 V166 H167 V168 A169T134-I149 HydrophobicContact CG2-CB 4.43Å; T134-I149 WeakPolarHBondContact CG2-O 3.32Å; T134-I149 PolarHBondContact OG1-O 3.2Å; T134-P151 HydrophobicContact CG2-CG 3.92Å; T134-V166 HydrophobicContact CG2-CG1 3.98Å; T134-H167 PolarHBondContact N-O 3.22Å; T134-V168 HydrophobicContact CG2-CG2 4.12Å; T134-V168 CarbonylContact O-C 3.58Å; T134-V168 WeakPolarHBondContact O-CA 3.25Å; T134-A169 PolarHBondContact O-N 3.03Å
135L98.8Very high97.7Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-93.3147.8178.3-62.4178.3000112N137 A138 P151 A169 P172 F211 A213 Q217 Y229L135-N137 PolarHBondContact O-N 3.2Å; L135-A138 HydrophobicContact CB-CB 4.26Å; L135-A138 WeakPolarHBondContact O-CB 3.38Å; L135-A138 PolarHBondContact O-N 3.38Å; L135-A138 VanDerWaalsContact O-N 3.14Å; L135-P151 WeakPolarHBondContact O-CG 3.49Å; L135-A169 WeakPolarHBondContact CA-O 3.4Å; L135-A169 HydrophobicContact CD2-CB 4.23Å; L135-P172 HydrophobicContact CD1-CG 4.3Å; L135-F211 HydrophobicContact CD1-CZ 4.49Å; L135-F211 HydrophobicContact CD2-CE2 3.95Å; L135-F211 HydrophobicContact CD2-CZ 3.86Å; L135-F211 HydrophobicContact CG-CE2 4.49Å; L135-F211 HydrophobicContact CG-CZ 4.15Å; L135-A213 HydrophobicContact CD1-CB 3.7Å; L135-A213 HydrophobicContact CG-CB 4.22Å; L135-Q217 HydrophobicContact CD1-CG 4.42Å; L135-Y229 WeakPolarHBondContact CD2-OH 3.45Å
136E98Very high97.7Very high84 Ų8438.8 Ų38.839%0.39321%0.206SC..THydrogen-bonded Turntrans-49.6142.7163.5-69.8178.7147.100110.6A138 V168 A169 P170 S171 Q217E136-A138 PolarHBondContact O-N 2.98Å; E136-V168 HydrophobicContact CB-CG1 4.32Å; E136-V168 HydrophobicContact CG-CG1 3.62Å; E136-A169 PolarHBondContact N-O 2.98Å; E136-P170 WeakPolarHBondContact OE2-CA 3.47Å; E136-S171 PolarHBondContact OE2-N 3.36Å; E136-S171 VanDerWaalsContact OE2-N 3.14Å; E136-Q217 PolarHBondContact O-NE2 3.17Å
137N96.3Very high97.7Very high38 Ų3838.7 Ų38.720%0.20321%0.208CC..THydrogen-bonded Turntrans59.310.5-178.6-43-57000116.1L135 G220L135-N137 PolarHBondContact O-N 3.2Å; N137-G220 WeakPolarHBondContact O-CA 3.25Å; N137-G220 PolarHBondContact O-N 3.26Å
138A98.3Very high97.7Very high0 Ų035.5 Ų35.50%019%0.194CC..  trans-68.4151.6174.300000112.9L135 E136 S150 Y152L135-A138 HydrophobicContact CB-CB 4.26Å; L135-A138 WeakPolarHBondContact O-CB 3.38Å; L135-A138 PolarHBondContact O-N 3.38Å; L135-A138 VanDerWaalsContact O-N 3.14Å; E136-A138 PolarHBondContact O-N 2.98Å; A138-S150 CarbonylContact O-C 3.41Å; A138-S150 WeakPolarHBondContact O-CA 3.45Å; A138-Y152 VanDerWaalsContact O-CB 3.28Å; A138-Y152 WeakPolarHBondContact O-CB 3.27Å; A138-Y152 PolarHBondContact O-N 2.83Å
139Y98.3Very high97.8Very high57 Ų5733.2 Ų33.222%0.22417%0.17CC..  trans-141.2101.1173.3177.5-106000112.4G141 K153 E214Y139-G141 WeakPolarHBondContact CE2-O 3.48Å; Y139-K153 HydrophobicContact CD2-CD 4.4Å; Y139-K153 HydrophobicContact CD2-CG 3.56Å; Y139-K153 HydrophobicContact CE2-CD 4.27Å; Y139-K153 HydrophobicContact CE2-CG 3.65Å; Y139-E214 PolarHBondContact N-OE2 3.4Å
140H98.4Very high97.7Very high7 Ų731.5 Ų31.53%0.03216%0.162CC..  trans-95.9-18.6-177.9-65.1-60000114N116 L146 I149 S150 D247N116-H140 HydrophobicContact CB-CB 4.48Å; N116-H140 PolarHBondContact ND2-O 3.16Å; H140-L146 HydrophobicContact CB-CD2 4.41Å; H140-I149 HydrophobicContact CB-CD1 4.18Å; H140-S150 PolarHBondContact N-OG 3.25Å; H140-D247 IonicContact CE1-OD2 3.59Å; H140-D247 IonicContact CG-OD2 2.8Å; H140-D247 IonicContact ND1-OD2 3.53Å; H140-D247 PolarHBondContact ND1-OD2 3.05Å
141G97.1Very high97.6Very high1 Ų126.9 Ų26.91%0.0114%0.141CC..  trans165.5-167.3178.600000115.9S113 Y139S113-G141 WeakPolarHBondContact OG-CA 3.35Å; Y139-G141 WeakPolarHBondContact CE2-O 3.48Å
142H95.9Very high97.4Very high118 Ų11828.2 Ų28.255%0.54615%0.146SC..SBendtrans-123.9-7.7-171.170.1-80.6000115S113S113-H142 PolarHBondContact OG-N 2.75Å; S113-H142 PolarHBondContact OG-ND1 3.34Å
143V97.1Very high97.1Very high49 Ų4931.6 Ų31.630%0.29716%0.16SC..SBendtrans-76.5156.2170.2-61.10000110D117 S145 L146 I147D117-V143 HydrophobicContact CB-CG2 4.28Å; V143-S145 PolarHBondContact O-N 2.88Å; V143-L146 HydrophobicContact CG2-CB 4.14Å; V143-L146 HydrophobicContact CG2-CD1 3.78Å; V143-L146 HydrophobicContact CG2-CG 3.72Å; V143-L146 CarbonylContact O-C 3.58Å; V143-L146 WeakPolarHBondContact O-CA 3.49Å; V143-L146 PolarHBondContact O-N 2.85Å; V143-I147 PolarHBondContact O-N 2.97Å
144T96.4Very high96.6Very high112 Ų11232 Ų3269%0.68716%0.162SC*.Hα-helixtrans-50.4-49.7-170.1-50.20000113.8L146 I147 D148T144-L146 PolarHBondContact O-N 3.2Å; T144-L146 VanDerWaalsContact O-N 3.14Å; T144-I147 PolarHBondContact O-N 3.2Å; T144-D148 PolarHBondContact O-N 2.88Å
145S97.1Very high96.1Very high26 Ų2637.3 Ų37.318%0.18219%0.19CC..Hα-helixtrans-55.7-29.9177.949.60000113.6D117 V143D117-S145 WeakPolarHBondContact OD1-CB 3.28Å; D117-S145 PolarHBondContact OD1-OG 2.57Å; V143-S145 PolarHBondContact O-N 2.88Å
146L98.1Very high95.5Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-95.7-25.9-179.2-57.8-175000113.4S113 N116 L120 H140 V143 T144 D148 I149 S150S113-L146 WeakPolarHBondContact O-CD1 3.47Å; N116-L146 HydrophobicContact CB-CD1 3.47Å; N116-L146 VanDerWaalsContact CB-CD1 3.47Å; N116-L146 HydrophobicContact CB-CD2 3.69Å; N116-L146 HydrophobicContact CB-CG 4.25Å; L120-L146 HydrophobicContact CD1-CD2 3.81Å; L120-L146 HydrophobicContact CG-CD2 4.44Å; H140-L146 HydrophobicContact CB-CD2 4.41Å; V143-L146 HydrophobicContact CG2-CB 4.14Å; V143-L146 HydrophobicContact CG2-CD1 3.78Å; V143-L146 HydrophobicContact CG2-CG 3.72Å; V143-L146 CarbonylContact O-C 3.58Å; V143-L146 WeakPolarHBondContact O-CA 3.49Å; V143-L146 PolarHBondContact O-N 2.85Å; T144-L146 PolarHBondContact O-N 3.2Å; T144-L146 VanDerWaalsContact O-N 3.14Å; L146-D148 VanDerWaalsContact C-N 3.28Å; L146-I149 HydrophobicContact CD2-CD1 3.89Å; L146-I149 HydrophobicContact CD2-CG1 4.09Å; L146-I149 CarbonylContact O-C 3.54Å; L146-I149 PolarHBondContact O-N 3.3Å; L146-S150 WeakPolarHBondContact O-CB 3.41Å; L146-S150 PolarHBondContact O-N 3.05Å; L146-S150 VanDerWaalsContact O-N 3.09Å; L146-S150 PolarHBondContact O-OG 3.33Å
147I96.8Very high94.8Very high43 Ų4343.6 Ų43.622%0.22122%0.223CC..Hα-helixtrans-61.4-42.9165.7-65.7-62.3000109.4V143 T144 I149 S150 K153 F154 L157V143-I147 PolarHBondContact O-N 2.97Å; T144-I147 PolarHBondContact O-N 3.2Å; I147-I149 VanDerWaalsContact C-N 3.25Å; I147-I149 PolarHBondContact O-N 3.2Å; I147-S150 PolarHBondContact O-N 2.82Å; I147-K153 HydrophobicContact CD1-CB 4.15Å; I147-K153 HydrophobicContact CD1-CG 4.36Å; I147-F154 WeakPolarHBondContact O-CD1 3.18Å; I147-L157 HydrophobicContact CG2-CD1 4.25Å
148D96.5Very high93.9Very high25 Ų2550 Ų5013%0.13425%0.252CS..THydrogen-bonded Turntrans-58.7-32.7178.1-72.7-14.4000113.1T144 L146 F154 K163 F165 V166T144-D148 PolarHBondContact O-N 2.88Å; L146-D148 VanDerWaalsContact C-N 3.28Å; D148-F154 WeakPolarHBondContact O-CD1 3.48Å; D148-F154 VanDerWaalsContact O-CE1 3.31Å; D148-F154 WeakPolarHBondContact O-CE1 3.35Å; D148-K163 HydrophobicContact CB-CG 3.95Å; D148-K163 WeakPolarHBondContact OD1-CE 3.17Å; D148-K163 IonicContact OD1-NZ 2.69Å; D148-K163 WeakPolarHBondContact OD2-CE 3.15Å; D148-F165 HydrophobicContact CB-CZ 4.38Å; D148-V166 HydrophobicContact CB-CG2 4.49Å
149I97.8Very high92.4Very high0 Ų059.5 Ų59.50%029%0.293CS..THydrogen-bonded Turntrans-105.516.7178.764.9149.7000114.6L120 V132 T134 H140 L146 I147 P151 V166 I212L120-I149 HydrophobicContact CD1-CD1 3.9Å; L120-I149 HydrophobicContact CD1-CG1 4.31Å; L120-I149 HydrophobicContact CD2-CD1 4.21Å; L120-I149 HydrophobicContact CG-CD1 4.43Å; V132-I149 HydrophobicContact CB-CG2 4.18Å; V132-I149 HydrophobicContact CG1-CG2 4.03Å; T134-I149 HydrophobicContact CG2-CB 4.43Å; T134-I149 WeakPolarHBondContact CG2-O 3.32Å; T134-I149 PolarHBondContact OG1-O 3.2Å; H140-I149 HydrophobicContact CB-CD1 4.18Å; L146-I149 HydrophobicContact CD2-CD1 3.89Å; L146-I149 HydrophobicContact CD2-CG1 4.09Å; L146-I149 CarbonylContact O-C 3.54Å; L146-I149 PolarHBondContact O-N 3.3Å; I147-I149 VanDerWaalsContact C-N 3.25Å; I147-I149 PolarHBondContact O-N 3.2Å; I149-P151 WeakPolarHBondContact O-CD 3.43Å; I149-V166 HydrophobicContact CG2-CG1 4.15Å; I149-V166 HydrophobicContact CG2-CG2 3.7Å; I149-I212 HydrophobicContact CD1-CD1 3.97Å; I149-I212 HydrophobicContact CD1-CG2 3.74Å
150S97.6Very high90.9Very high0 Ų064.6 Ų64.60%032%0.324CS..  trans-116.586.8177.2-65.20000111.3A138 H140 L146 I147 Y152 K153 F154A138-S150 CarbonylContact O-C 3.41Å; A138-S150 WeakPolarHBondContact O-CA 3.45Å; H140-S150 PolarHBondContact N-OG 3.25Å; L146-S150 WeakPolarHBondContact O-CB 3.41Å; L146-S150 PolarHBondContact O-N 3.05Å; L146-S150 VanDerWaalsContact O-N 3.09Å; L146-S150 PolarHBondContact O-OG 3.33Å; I147-S150 PolarHBondContact O-N 2.82Å; S150-Y152 PolarHBondContact O-N 2.75Å; S150-Y152 VanDerWaalsContact O-N 3.11Å; S150-K153 WeakPolarHBondContact O-CA 3.21Å; S150-K153 PolarHBondContact O-N 3.44Å; S150-F154 VanDerWaalsContact C-CD1 3.47Å; S150-F154 WeakPolarHBondContact O-CD1 3.44Å; S150-F154 PolarHBondContact O-N 3.11Å
151P96.3Very high90Very high1 Ų165.7 Ų65.71%0.00633%0.333CS..Hα-helixtrans-56.8-30-178.3-26.836.4000113.6T134 L135 I149 K153 F154 N155 V168T134-P151 HydrophobicContact CG2-CG 3.92Å; L135-P151 WeakPolarHBondContact O-CG 3.49Å; I149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-K153 PolarHBondContact O-N 3.09Å; P151-K153 VanDerWaalsContact O-N 3.1Å; P151-F154 VanDerWaalsContact CA-CE1 3.43Å; P151-F154 HydrophobicContact CB-CE1 3.94Å; P151-F154 HydrophobicContact CB-CE2 4.32Å; P151-F154 HydrophobicContact CB-CZ 3.78Å; P151-F154 HydrophobicContact CG-CE1 3.61Å; P151-F154 HydrophobicContact CG-CZ 3.67Å; P151-N155 VanDerWaalsContact O-CB 3.23Å; P151-N155 WeakPolarHBondContact O-CB 3.38Å; P151-N155 VanDerWaalsContact O-CG 3.22Å; P151-N155 PolarHBondContact O-N 2.97Å; P151-N155 PolarHBondContact O-ND2 3.49Å; P151-V168 HydrophobicContact CG-CG1 3.96Å; P151-V168 HydrophobicContact CG-CG2 3.93Å
152Y94.3Very high89.8Confident30 Ų3070.2 Ų70.212%0.11835%0.352CS..Hα-helixtrans-57.9-24.8173.4-171.8-109.3000113.3A138 S150 Q156 C219A138-Y152 VanDerWaalsContact O-CB 3.28Å; A138-Y152 WeakPolarHBondContact O-CB 3.27Å; A138-Y152 PolarHBondContact O-N 2.83Å; S150-Y152 PolarHBondContact O-N 2.75Å; S150-Y152 VanDerWaalsContact O-N 3.11Å; Y152-Q156 PolarHBondContact O-NE2 3.3Å; Y152-C219 HydrophobicContact CD1-CB 3.67Å; Y152-C219 HydrophobicContact CD2-CB 4.32Å; Y152-C219 HydrophobicContact CE1-CB 3.71Å; Y152-C219 HydrophobicContact CE2-CB 4.38Å; Y152-C219 WeakPolarHBondContact CE2-O 3.43Å; Y152-C219 HydrophobicContact CG-CB 3.99Å
153K91.5Very high89.7Confident73 Ų7368.9 Ų68.932%0.31735%0.345SS..Hα-helixtrans-104.1-49.5178.9-69-63.6-174.3178.90113.4Y139 I147 S150 P151 N155 Q156Y139-K153 HydrophobicContact CD2-CD 4.4Å; Y139-K153 HydrophobicContact CD2-CG 3.56Å; Y139-K153 HydrophobicContact CE2-CD 4.27Å; Y139-K153 HydrophobicContact CE2-CG 3.65Å; I147-K153 HydrophobicContact CD1-CB 4.15Å; I147-K153 HydrophobicContact CD1-CG 4.36Å; S150-K153 WeakPolarHBondContact O-CA 3.21Å; S150-K153 PolarHBondContact O-N 3.44Å; P151-K153 PolarHBondContact O-N 3.09Å; P151-K153 VanDerWaalsContact O-N 3.1Å; K153-N155 PolarHBondContact O-N 3.41Å; K153-Q156 VanDerWaalsContact O-CB 3.32Å; K153-Q156 WeakPolarHBondContact O-CB 3.5Å; K153-Q156 PolarHBondContact O-N 3.28Å
154F89.3Confident89.7Confident7 Ų773.2 Ų73.23%0.03136%0.361CS..Hα-helixtrans-68.5-24.5-174.170.8-117.6000113I147 D148 S150 P151 Q156 L157 S161 K162 V168I147-F154 WeakPolarHBondContact O-CD1 3.18Å; D148-F154 WeakPolarHBondContact O-CD1 3.48Å; D148-F154 VanDerWaalsContact O-CE1 3.31Å; D148-F154 WeakPolarHBondContact O-CE1 3.35Å; S150-F154 VanDerWaalsContact C-CD1 3.47Å; S150-F154 WeakPolarHBondContact O-CD1 3.44Å; S150-F154 PolarHBondContact O-N 3.11Å; P151-F154 VanDerWaalsContact CA-CE1 3.43Å; P151-F154 HydrophobicContact CB-CE1 3.94Å; P151-F154 HydrophobicContact CB-CE2 4.32Å; P151-F154 HydrophobicContact CB-CZ 3.78Å; P151-F154 HydrophobicContact CG-CE1 3.61Å; P151-F154 HydrophobicContact CG-CZ 3.67Å; F154-Q156 PolarHBondContact O-N 3.42Å; F154-L157 HydrophobicContact CB-CD1 4.34Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.43Å; F154-S161 WeakPolarHBondContact CD2-OG 3.32Å; F154-S161 PolarHBondContact O-OG 2.9Å; F154-K162 HydrophobicContact CE2-CB 3.95Å; F154-K162 HydrophobicContact CE2-CG 4.24Å; F154-K162 HydrophobicContact CZ-CB 4.22Å; F154-K162 HydrophobicContact CZ-CD 4.44Å; F154-K162 HydrophobicContact CZ-CG 4.01Å; F154-V168 HydrophobicContact CZ-CG2 3.94Å
155N88.4Confident89.7Confident112 Ų11270.4 Ų70.460%0.59934%0.34SS*.THydrogen-bonded Turntrans-68.9-7.8170.6-67.9-15.6000113.7P151 K153P151-N155 VanDerWaalsContact O-CB 3.23Å; P151-N155 WeakPolarHBondContact O-CB 3.38Å; P151-N155 VanDerWaalsContact O-CG 3.22Å; P151-N155 PolarHBondContact O-N 2.97Å; P151-N155 PolarHBondContact O-ND2 3.49Å; K153-N155 PolarHBondContact O-N 3.41Å
156Q85.4Confident89.8Confident110 Ų11069.1 Ų69.151%0.51433%0.331SS..THydrogen-bonded Turntrans-94-4.2171.8-50.1-17722.200112.4Y152 K153 F154Y152-Q156 PolarHBondContact O-NE2 3.3Å; K153-Q156 VanDerWaalsContact O-CB 3.32Å; K153-Q156 WeakPolarHBondContact O-CB 3.5Å; K153-Q156 PolarHBondContact O-N 3.28Å; F154-Q156 PolarHBondContact O-N 3.42Å
157L83.8Confident89.8Confident107 Ų10770.6 Ų70.656%0.5634%0.338SS*.SBendtrans-91.1-172.8175.6-54.8178000110I147 F154I147-L157 HydrophobicContact CG2-CD1 4.25Å; F154-L157 HydrophobicContact CB-CD1 4.34Å; F154-L157 WeakPolarHBondContact O-CB 3.45Å; F154-L157 PolarHBondContact O-N 3.43Å
158E78.4Confident89.9Confident173 Ų17370.6 Ų70.681%0.80834%0.34SS*.SBendtrans-59.7158.9173.7-62.4-177.2173.600111.7
159K65.3Low90Very high199 Ų19969.5 Ų69.587%0.86533%0.334SS*.THydrogen-bonded Turntrans-58146.8174.3-65.8-176.8177.7-176.70109.6
160D67.4Low90Very high163 Ų16370.3 Ų70.387%0.87234%0.339SS*.THydrogen-bonded Turntrans68.728.7-179.7-46.4-38.3000115.5K162D160-K162 VanDerWaalsContact C-N 3.34Å; D160-K162 PolarHBondContact O-N 3.26Å
161S79.9Confident90.1Very high31 Ų3170.4 Ų70.422%0.21734%0.34CS..  trans-70-21.5174.659.90000115.2F154 K163F154-S161 WeakPolarHBondContact CD2-OG 3.32Å; F154-S161 PolarHBondContact O-OG 2.9Å; S161-K163 PolarHBondContact O-N 3.15Å
162K92.4Very high90.2Very high96 Ų9670.4 Ų70.442%0.41734%0.34SS..SBendtrans-68.4126.7-179-170.5-173.676.773.80111.3F154 D160 V166 V168F154-K162 HydrophobicContact CE2-CB 3.95Å; F154-K162 HydrophobicContact CE2-CG 4.24Å; F154-K162 HydrophobicContact CZ-CB 4.22Å; F154-K162 HydrophobicContact CZ-CD 4.44Å; F154-K162 HydrophobicContact CZ-CG 4.01Å; D160-K162 VanDerWaalsContact C-N 3.34Å; D160-K162 PolarHBondContact O-N 3.26Å; K162-V166 WeakPolarHBondContact CD-O 3.49Å; K162-V166 HydrophobicContact CG-CB 4.29Å; K162-V166 HydrophobicContact CG-CG1 4.43Å; K162-V166 PolarHBondContact NZ-O 3.46Å; K162-V168 HydrophobicContact CD-CG2 3.97Å
163K94.9Very high90.4Very high90 Ų9069.7 Ų69.739%0.39134%0.338SS..  trans-71.7155.7175.7-49.9-58.2179.2-1750112D148 S161 F165 V166D148-K163 HydrophobicContact CB-CG 3.95Å; D148-K163 WeakPolarHBondContact OD1-CE 3.17Å; D148-K163 IonicContact OD1-NZ 2.69Å; D148-K163 WeakPolarHBondContact OD2-CE 3.15Å; S161-K163 PolarHBondContact O-N 3.15Å; K163-F165 VanDerWaalsContact C-N 3.31Å; K163-F165 HydrophobicContact CB-CD1 3.8Å; K163-F165 HydrophobicContact CB-CD2 4.5Å; K163-F165 HydrophobicContact CB-CE1 3.51Å; K163-F165 HydrophobicContact CB-CE2 4.24Å; K163-F165 HydrophobicContact CB-CG 4.28Å; K163-F165 HydrophobicContact CB-CZ 3.74Å; K163-F165 HydrophobicContact CG-CE1 3.75Å; K163-F165 HydrophobicContact CG-CE2 4.48Å; K163-F165 HydrophobicContact CG-CZ 3.71Å; K163-F165 PolarHBondContact O-N 2.94Å; K163-V166 HydrophobicContact CB-CG2 4.11Å; K163-V166 PolarHBondContact O-N 2.98Å; K163-V166 VanDerWaalsContact O-N 3.13Å
164E95.8Very high90.7Very high139 Ų13969.5 Ų69.565%0.6534%0.34SS*.THydrogen-bonded Turntrans-61-39.1177.3-163.7-161.4161.700112.2V166 R206E164-V166 PolarHBondContact O-N 3.34Å; E164-R206 IonicContact OE1-CZ 3.48Å; E164-R206 IonicContact OE1-NH1 2.91Å; E164-R206 PolarHBondContact OE1-NH1 2.93Å; E164-R206 IonicContact OE2-NH1 3.34Å; E164-R206 PolarHBondContact OE2-NH1 2.85Å
165F97.6Very high91.1Very high53 Ų5369.7 Ų69.723%0.23234%0.341CS..THydrogen-bonded Turntrans-74.4-1177.766.5-102.7000114.2D131 V132 D148 K163D131-F165 CarbonylContact C-O 3.59Å; D131-F165 VanDerWaalsContact CA-O 3.23Å; D131-F165 WeakPolarHBondContact CA-O 3.37Å; V132-F165 PolarHBondContact N-O 3.13Å; D148-F165 HydrophobicContact CB-CZ 4.38Å; K163-F165 VanDerWaalsContact C-N 3.31Å; K163-F165 HydrophobicContact CB-CD1 3.8Å; K163-F165 HydrophobicContact CB-CD2 4.5Å; K163-F165 HydrophobicContact CB-CE1 3.51Å; K163-F165 HydrophobicContact CB-CE2 4.24Å; K163-F165 HydrophobicContact CB-CG 4.28Å; K163-F165 HydrophobicContact CB-CZ 3.74Å; K163-F165 HydrophobicContact CG-CE1 3.75Å; K163-F165 HydrophobicContact CG-CE2 4.48Å; K163-F165 HydrophobicContact CG-CZ 3.71Å; K163-F165 PolarHBondContact O-N 2.94Å
166V98.3Very high91.4Very high0 Ų066.2 Ų66.20%032%0.319CS..EExtended strand (participates in β ladder)trans-109.1120.8-178.8-179.90000110.3V132 T134 D148 I149 K162 K163 E164 V168V132-V166 WeakPolarHBondContact O-CA 3.45Å; T134-V166 HydrophobicContact CG2-CG1 3.98Å; D148-V166 HydrophobicContact CB-CG2 4.49Å; I149-V166 HydrophobicContact CG2-CG1 4.15Å; I149-V166 HydrophobicContact CG2-CG2 3.7Å; K162-V166 WeakPolarHBondContact CD-O 3.49Å; K162-V166 HydrophobicContact CG-CB 4.29Å; K162-V166 HydrophobicContact CG-CG1 4.43Å; K162-V166 PolarHBondContact NZ-O 3.46Å; K163-V166 HydrophobicContact CB-CG2 4.11Å; K163-V166 PolarHBondContact O-N 2.98Å; K163-V166 VanDerWaalsContact O-N 3.13Å; E164-V166 PolarHBondContact O-N 3.34Å; V166-V168 HydrophobicContact CG1-CG2 4.49Å
167H98.6Very high92Very high31 Ų3162 Ų6214%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-107.7140.9174.9-52.7-66.1000109.4D131 V132 I133 T134 I197 T201D131-H167 IonicContact OD2-CD2 2.72Å; D131-H167 IonicContact OD2-CE1 3.35Å; D131-H167 IonicContact OD2-NE2 3.97Å; D131-H167 PolarHBondContact OD2-NE2 3.2Å; V132-H167 PolarHBondContact O-N 2.81Å; I133-H167 WeakPolarHBondContact CA-O 3.47Å; I133-H167 HydrophobicContact CG1-CB 4.24Å; T134-H167 PolarHBondContact N-O 3.22Å; H167-I197 HydrophobicContact CB-CG2 3.42Å; H167-I197 VanDerWaalsContact CB-CG2 3.42Å; H167-T201 PolarHBondContact CE1-OG1 2.74Å; H167-T201 PolarHBondContact NE2-OG1 2.89Å
168V98.5Very high92.7Very high43 Ų4362.1 Ų62.126%0.26130%0.301SS..EExtended strand (participates in β ladder)trans-118.7109.8-176.8-177.60000108T134 E136 P151 F154 K162 V166T134-V168 HydrophobicContact CG2-CG2 4.12Å; T134-V168 CarbonylContact O-C 3.58Å; T134-V168 WeakPolarHBondContact O-CA 3.25Å; E136-V168 HydrophobicContact CB-CG1 4.32Å; E136-V168 HydrophobicContact CG-CG1 3.62Å; P151-V168 HydrophobicContact CG-CG1 3.96Å; P151-V168 HydrophobicContact CG-CG2 3.93Å; F154-V168 HydrophobicContact CZ-CG2 3.94Å; K162-V168 HydrophobicContact CD-CG2 3.97Å; V166-V168 HydrophobicContact CG1-CG2 4.49Å
169A98.8Very high93.6Very high1 Ų155.7 Ų55.71%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-84.6148.3172.700000110.4I133 T134 L135 E136 S171 V194 I197I133-A169 HydrophobicContact CG2-CB 4.06Å; T134-A169 PolarHBondContact O-N 3.03Å; L135-A169 WeakPolarHBondContact CA-O 3.4Å; L135-A169 HydrophobicContact CD2-CB 4.23Å; E136-A169 PolarHBondContact N-O 2.98Å; A169-S171 PolarHBondContact O-N 3.42Å; A169-V194 HydrophobicContact CB-CG2 3.73Å; A169-I197 HydrophobicContact CB-CD1 3.81Å
170P98.6Very high95.1Very high17 Ų1750.1 Ų50.111%0.1124%0.243CC..PPolyproline II helixtrans-53.8139176.5-26.735.7000112.4E136 K178 Y190 E193E136-P170 WeakPolarHBondContact OE2-CA 3.47Å; P170-K178 HydrophobicContact CG-CD 4.27Å; P170-Y190 HydrophobicContact CB-CD1 4.07Å; P170-Y190 HydrophobicContact CB-CE1 3.95Å; P170-E193 HydrophobicContact CG-CB 4.21Å; P170-E193 HydrophobicContact CG-CG 4.19Å
171S98.3Very high96.4Very high3 Ų347.2 Ų47.22%0.02122%0.224CC..PPolyproline II helixtrans-62.9131174.9171.10000109.4E136 A169 D173 Y190 Q217E136-S171 PolarHBondContact OE2-N 3.36Å; E136-S171 VanDerWaalsContact OE2-N 3.14Å; A169-S171 PolarHBondContact O-N 3.42Å; S171-D173 PolarHBondContact O-N 3.07Å; S171-Y190 WeakPolarHBondContact O-CE1 3.24Å; S171-Y190 VanDerWaalsContact O-CZ 3.3Å; S171-Y190 PolarHBondContact O-OH 3.15Å; S171-Q217 PolarHBondContact OG-OE1 3.38Å
172P98.3Very high97.2Very high0 Ų052.3 Ų52.30%025%0.249CC..  trans-76.143.2-178.634.5-38000112.6L135 I174 Y190 P225 P226 Y229L135-P172 HydrophobicContact CD1-CG 4.3Å; P172-I174 PolarHBondContact O-N 2.93Å; P172-Y190 HydrophobicContact CB-CD1 4.45Å; P172-Y190 HydrophobicContact CB-CD2 3.99Å; P172-Y190 HydrophobicContact CB-CE2 4.36Å; P172-Y190 HydrophobicContact CB-CG 4.05Å; P172-P225 HydrophobicContact CB-CB 4.24Å; P172-P225 HydrophobicContact CG-CB 3.81Å; P172-P225 HydrophobicContact CG-CG 3.98Å; P172-P226 WeakPolarHBondContact O-CD 3.35Å; P172-Y229 HydrophobicContact CB-CD1 4.19Å; P172-Y229 HydrophobicContact CB-CE1 4.03Å; P172-Y229 HydrophobicContact CB-CG 4.5Å; P172-Y229 HydrophobicContact CG-CD1 4.2Å; P172-Y229 HydrophobicContact CG-CE1 3.81Å
173D98.3Very high97.5Very high16 Ų1650.9 Ų50.99%0.08624%0.243CC..  trans-83.1107178.4174.312000110.4S171 Y175 R176 G177 Y190 V223S171-D173 PolarHBondContact O-N 3.07Å; D173-Y175 PolarHBondContact O-N 3.07Å; D173-Y175 WeakPolarHBondContact OD1-CA 3.06Å; D173-Y175 WeakPolarHBondContact OD1-CB 3.17Å; D173-Y175 PolarHBondContact OD1-N 2.89Å; D173-R176 VanDerWaalsContact CG-N 3.34Å; D173-R176 PolarHBondContact OD1-N 3.22Å; D173-R176 WeakPolarHBondContact OD2-CA 3.23Å; D173-R176 VanDerWaalsContact OD2-CB 3.23Å; D173-R176 WeakPolarHBondContact OD2-CB 3.11Å; D173-R176 PolarHBondContact OD2-N 3.4Å; D173-R176 VanDerWaalsContact OD2-N 3.09Å; D173-G177 WeakPolarHBondContact O-CA 3.43Å; D173-G177 PolarHBondContact O-N 3.32Å; D173-Y190 PolarHBondContact O-OH 3.05Å; D173-V223 HydrophobicContact CB-CG1 3.92Å; D173-V223 HydrophobicContact CB-CG2 4.02Å
174I98.1Very high97.6Very high69 Ų6952.7 Ų52.735%0.35426%0.264SS..THydrogen-bonded Turntrans-74.4-4.6177.261.2172.3000114.1P172 R180 E181 P186 P226P172-I174 PolarHBondContact O-N 2.93Å; I174-R180 CarbonylContact O-C 3.55Å; I174-R180 WeakPolarHBondContact O-CA 3.41Å; I174-E181 PolarHBondContact O-N 2.96Å; I174-E181 VanDerWaalsContact O-OE2 3.13Å; I174-P186 HydrophobicContact CG2-CB 3.99Å; I174-P186 HydrophobicContact CG2-CG 4.07Å; I174-P226 HydrophobicContact CG2-CG 3.66Å
175Y97.9Very high97.7Very high11 Ų1149.1 Ų49.14%0.04325%0.25CC..THydrogen-bonded Turntrans-99.3-47.8176.5-175.3-111000113.3D173 G359 D360 D371 V373 R379D173-Y175 PolarHBondContact O-N 3.07Å; D173-Y175 WeakPolarHBondContact OD1-CA 3.06Å; D173-Y175 WeakPolarHBondContact OD1-CB 3.17Å; D173-Y175 PolarHBondContact OD1-N 2.89Å; Y175-G359 VanDerWaalsContact OH-C 3.24Å; Y175-G359 WeakPolarHBondContact OH-CA 3.35Å; Y175-G359 PolarHBondContact OH-O 2.77Å; Y175-D360 HydrophobicContact CD1-CB 3.78Å; Y175-D360 HydrophobicContact CD2-CB 3.71Å; Y175-D360 HydrophobicContact CE1-CB 3.83Å; Y175-D360 HydrophobicContact CE2-CB 3.76Å; Y175-D360 HydrophobicContact CG-CB 3.72Å; Y175-D371 HydrophobicContact CE1-CB 4.27Å; Y175-V373 HydrophobicContact CE1-CG1 4.31Å; Y175-R379 HydrophobicContact CE1-CB 4.22Å; Y175-R379 HydrophobicContact CE1-CG 4.3Å; Y175-R379 HydrophobicContact CE2-CG 4.15Å; Y175-R379 VanDerWaalsContact O-CD 3.23Å; Y175-R379 WeakPolarHBondContact O-CD 3.29Å; Y175-R379 PolarHBondContact O-NH1 3.46Å
176R95.6Very high97.8Very high39 Ų3947.8 Ų47.815%0.14725%0.246CC..THydrogen-bonded Turntrans-112.4-19.7179.8-168.3172.5-73.8100.5-0.4114.4D173 D371 R379D173-R176 VanDerWaalsContact CG-N 3.34Å; D173-R176 PolarHBondContact OD1-N 3.22Å; D173-R176 WeakPolarHBondContact OD2-CA 3.23Å; D173-R176 VanDerWaalsContact OD2-CB 3.23Å; D173-R176 WeakPolarHBondContact OD2-CB 3.11Å; D173-R176 PolarHBondContact OD2-N 3.4Å; D173-R176 VanDerWaalsContact OD2-N 3.09Å; R176-D371 IonicContact CZ-OD1 2.85Å; R176-D371 IonicContact CZ-OD2 2.74Å; R176-D371 IonicContact NH1-OD1 2.79Å; R176-D371 PolarHBondContact NH1-OD1 3.17Å; R176-D371 IonicContact NH1-OD2 3.54Å; R176-D371 PolarHBondContact NH1-OD2 2.99Å; R176-D371 IonicContact NH2-OD1 2.72Å; R176-D371 PolarHBondContact NH2-OD1 3.01Å; R176-D371 IonicContact NH2-OD2 2.66Å; R176-R379 PolarHBondContact NH2-O 2.96Å
177G96.8Very high97.8Very high20 Ų2048.1 Ų48.121%0.20625%0.249CC..SBendtrans-69-169.9-174.300000115.7D173 Y190D173-G177 WeakPolarHBondContact O-CA 3.43Å; D173-G177 PolarHBondContact O-N 3.32Å; G177-Y190 WeakPolarHBondContact CA-OH 3.26Å
178K98.1Very high97.8Very high110 Ų11048.1 Ų48.148%0.47825%0.253SS..SBendtrans-66.8-38.8-172.6-169.2-175.5-176.5-161.60113.3P170 Y190 E193P170-K178 HydrophobicContact CG-CD 4.27Å; K178-Y190 HydrophobicContact CB-CE1 4.07Å; K178-Y190 PolarHBondContact N-OH 2.97Å; K178-E193 IonicContact NZ-OE1 2.76Å; K178-E193 PolarHBondContact NZ-OE1 2.79Å; K178-E193 IonicContact NZ-OE2 3.78Å; K178-E193 PolarHBondContact NZ-OE2 3.47Å
179Y98.4Very high97.8Very high39 Ų3946.8 Ų46.815%0.15325%0.246CC..SBendtrans-119.8115.7177-52-69.2000108.2H183 A189 Y190 E193Y179-H183 AromaticContact CD1-CD2 3.82Å; Y179-A189 HydrophobicContact CD1-CB 3.81Å; Y179-A189 HydrophobicContact CD2-CB 3.56Å; Y179-A189 HydrophobicContact CE1-CB 3.97Å; Y179-A189 HydrophobicContact CE2-CB 3.74Å; Y179-A189 WeakPolarHBondContact CE2-O 3.49Å; Y179-A189 HydrophobicContact CG-CB 3.61Å; Y179-Y190 AromaticContact CD2-CD1 3.73Å; Y179-Y190 HydrophobicContact CD2-CD1 3.73Å; Y179-Y190 HydrophobicContact CD2-CD2 4.03Å; Y179-Y190 AromaticContact CD2-CE1 3.76Å; Y179-Y190 HydrophobicContact CD2-CE1 3.76Å; Y179-Y190 HydrophobicContact CD2-CE2 4.07Å; Y179-Y190 AromaticContact CD2-CG 3.86Å; Y179-Y190 HydrophobicContact CD2-CG 3.86Å; Y179-Y190 AromaticContact CD2-CZ 3.94Å; Y179-Y190 HydrophobicContact CE2-CD1 4.27Å; Y179-Y190 HydrophobicContact CE2-CE1 4.48Å; Y179-Y190 HydrophobicContact CG-CE2 4.41Å; Y179-Y190 PolarHBondContact N-OH 3.43Å; Y179-Y190 VanDerWaalsContact O-CE2 3.28Å; Y179-Y190 WeakPolarHBondContact O-CE2 3.4Å; Y179-Y190 PolarHBondContact O-OH 2.99Å; Y179-Y190 VanDerWaalsContact O-OH 3.05Å; Y179-E193 HydrophobicContact CE2-CG 3.96Å; Y179-E193 PolarHBondContact OH-OE1 3.32Å
180R97.4Very high97.8Very high81 Ų8146.8 Ų46.831%0.30625%0.246SC..  trans-99.7-176-170.3-73.5174.2-179.4-161.5-0.9111.7I174 D182 H183I174-R180 CarbonylContact O-C 3.55Å; I174-R180 WeakPolarHBondContact O-CA 3.41Å; R180-D182 VanDerWaalsContact CB-OD1 3.26Å; R180-D182 WeakPolarHBondContact CB-OD1 3.4Å; R180-D182 PolarHBondContact O-N 3.22Å; R180-H183 VanDerWaalsContact O-CB 3.28Å; R180-H183 WeakPolarHBondContact O-CB 3.21Å; R180-H183 PolarHBondContact O-N 2.67Å
181E95Very high97.8Very high103 Ų10346 Ų4648%0.48124%0.241SC..THydrogen-bonded Turntrans-65.6-14.1-178.276.7-87.9-144.300114.3I174 R379I174-E181 PolarHBondContact O-N 2.96Å; I174-E181 VanDerWaalsContact O-OE2 3.13Å; E181-R379 VanDerWaalsContact CD-NH2 3.32Å; E181-R379 IonicContact OE1-CZ 2.78Å; E181-R379 IonicContact OE1-NH1 3.43Å; E181-R379 PolarHBondContact OE1-NH1 3.31Å; E181-R379 IonicContact OE1-NH2 3.85Å; E181-R379 PolarHBondContact OE1-NH2 3.02Å; E181-R379 IonicContact OE2-CZ 3.92Å; E181-R379 IonicContact OE2-NH1 3.85Å; E181-R379 PolarHBondContact OE2-NH1 3.29Å; E181-R379 IonicContact OE2-NH2 3.61Å; E181-R379 PolarHBondContact OE2-NH2 2.66Å
182D96.3Very high97.8Very high137 Ų13748.8 Ų48.873%0.73325%0.254SS*.THydrogen-bonded Turntrans-85.3-10.2172.766.8-32000113.6R180R180-D182 VanDerWaalsContact CB-OD1 3.26Å; R180-D182 WeakPolarHBondContact CB-OD1 3.4Å; R180-D182 PolarHBondContact O-N 3.22Å
183H98.2Very high97.8Very high66 Ų6650.1 Ų50.131%0.30626%0.26SS..SBendtrans-74.2133.5174.6-168.1-88.2000110.3Y179 R180 D185 P186 A189Y179-H183 AromaticContact CD1-CD2 3.82Å; R180-H183 VanDerWaalsContact O-CB 3.28Å; R180-H183 WeakPolarHBondContact O-CB 3.21Å; R180-H183 PolarHBondContact O-N 2.67Å; H183-D185 VanDerWaalsContact C-N 3.33Å; H183-D185 PolarHBondContact CE1-O 3.42Å; H183-D185 PolarHBondContact ND1-N 3.29Å; H183-D185 PolarHBondContact ND1-O 2.9Å; H183-D185 PolarHBondContact O-N 3.19Å; H183-P186 HydrophobicContact CB-CB 4.45Å; H183-P186 WeakPolarHBondContact O-CD 3.38Å; H183-A189 VanDerWaalsContact CE1-CB 3.49Å; H183-A189 WeakPolarHBondContact CE1-CB 3.48Å
184P97.7Very high97.9Very high128 Ų12849.4 Ų49.483%0.83126%0.256SS*.SBendtrans-68.6-27.2-172.225.5-35.4000114.6
185D98.1Very high97.9Very high64 Ų6449 Ų4934%0.34225%0.251SS..  trans-146.581.8173.6-178.7-6.1000109.9H183 A187 S188 A189 K232H183-D185 VanDerWaalsContact C-N 3.33Å; H183-D185 PolarHBondContact CE1-O 3.42Å; H183-D185 PolarHBondContact ND1-N 3.29Å; H183-D185 PolarHBondContact ND1-O 2.9Å; H183-D185 PolarHBondContact O-N 3.19Å; D185-A187 VanDerWaalsContact C-N 3.26Å; D185-A187 PolarHBondContact O-N 3.18Å; D185-A187 PolarHBondContact OD1-N 3.44Å; D185-S188 PolarHBondContact OD1-N 2.88Å; D185-S188 PolarHBondContact OD1-OG 3.45Å; D185-S188 WeakPolarHBondContact OD2-CB 3.32Å; D185-S188 PolarHBondContact OD2-OG 3.47Å; D185-A189 WeakPolarHBondContact O-CB 3.43Å; D185-A189 PolarHBondContact O-N 3.44Å; D185-K232 IonicContact OD2-NZ 2.73Å
186P98.1Very high98Very high25 Ų2552.5 Ų52.516%0.16227%0.267CS..Hα-helixtrans-69-27-179.328.3-32.7000111.6I174 H183 A189 Y190 P226I174-P186 HydrophobicContact CG2-CB 3.99Å; I174-P186 HydrophobicContact CG2-CG 4.07Å; H183-P186 HydrophobicContact CB-CB 4.45Å; H183-P186 WeakPolarHBondContact O-CD 3.38Å; P186-A189 PolarHBondContact O-N 3.11Å; P186-Y190 HydrophobicContact CB-CD2 4.45Å; P186-Y190 HydrophobicContact CB-CE2 4.49Å; P186-Y190 WeakPolarHBondContact O-CD2 3.19Å; P186-Y190 PolarHBondContact O-N 3.33Å; P186-P226 HydrophobicContact CB-CG 4.33Å; P186-P226 HydrophobicContact CG-CB 4.49Å; P186-P226 HydrophobicContact CG-CG 4.22Å
187A98.1Very high98.1Very high7 Ų751.8 Ų51.86%0.05827%0.266CS..Hα-helixtrans-62-50.7178.900000111.5D185 A191 P226D185-A187 VanDerWaalsContact C-N 3.26Å; D185-A187 PolarHBondContact O-N 3.18Å; D185-A187 PolarHBondContact OD1-N 3.44Å; A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 2.65Å; A187-A191 VanDerWaalsContact O-N 3.13Å; A187-P226 HydrophobicContact CB-CB 3.79Å
188S98.6Very high98.2Very high32 Ų3251.2 Ų51.222%0.22426%0.258CS..Hα-helixtrans-63.3-44173.5-64.70000111.9D185 Y190 A191 E192 K232D185-S188 PolarHBondContact OD1-N 2.88Å; D185-S188 PolarHBondContact OD1-OG 3.45Å; D185-S188 WeakPolarHBondContact OD2-CB 3.32Å; D185-S188 PolarHBondContact OD2-OG 3.47Å; S188-Y190 PolarHBondContact O-N 2.99Å; S188-A191 PolarHBondContact O-N 2.82Å; S188-A191 VanDerWaalsContact O-N 3.13Å; S188-E192 WeakPolarHBondContact O-CG 3.16Å; S188-E192 PolarHBondContact O-N 1.88Å; S188-K232 PolarHBondContact OG-NZ 2.79Å
189A98.8Very high98.2Very high15 Ų1549.7 Ų49.712%0.12425%0.253CS..Hα-helixtrans-61.8-42.1-175.300000112.6Y179 H183 D185 P186 E193Y179-A189 HydrophobicContact CD1-CB 3.81Å; Y179-A189 HydrophobicContact CD2-CB 3.56Å; Y179-A189 HydrophobicContact CE1-CB 3.97Å; Y179-A189 HydrophobicContact CE2-CB 3.74Å; Y179-A189 WeakPolarHBondContact CE2-O 3.49Å; Y179-A189 HydrophobicContact CG-CB 3.61Å; H183-A189 VanDerWaalsContact CE1-CB 3.49Å; H183-A189 WeakPolarHBondContact CE1-CB 3.48Å; D185-A189 WeakPolarHBondContact O-CB 3.43Å; D185-A189 PolarHBondContact O-N 3.44Å; P186-A189 PolarHBondContact O-N 3.11Å; A189-E193 WeakPolarHBondContact O-CG 3.4Å
190Y98.9Very high98.3Very high1 Ų153.2 Ų53.20%0.00427%0.271CS..Hα-helixtrans-70-36.6172.6-77.2-66000112.9P170 S171 P172 D173 G177 K178 Y179 P186 S188 E193 Y229P170-Y190 HydrophobicContact CB-CD1 4.07Å; P170-Y190 HydrophobicContact CB-CE1 3.95Å; S171-Y190 WeakPolarHBondContact O-CE1 3.24Å; S171-Y190 VanDerWaalsContact O-CZ 3.3Å; S171-Y190 PolarHBondContact O-OH 3.15Å; P172-Y190 HydrophobicContact CB-CD1 4.45Å; P172-Y190 HydrophobicContact CB-CD2 3.99Å; P172-Y190 HydrophobicContact CB-CE2 4.36Å; P172-Y190 HydrophobicContact CB-CG 4.05Å; D173-Y190 PolarHBondContact O-OH 3.05Å; G177-Y190 WeakPolarHBondContact CA-OH 3.26Å; K178-Y190 HydrophobicContact CB-CE1 4.07Å; K178-Y190 PolarHBondContact N-OH 2.97Å; Y179-Y190 AromaticContact CD2-CD1 3.73Å; Y179-Y190 HydrophobicContact CD2-CD1 3.73Å; Y179-Y190 HydrophobicContact CD2-CD2 4.03Å; Y179-Y190 AromaticContact CD2-CE1 3.76Å; Y179-Y190 HydrophobicContact CD2-CE1 3.76Å; Y179-Y190 HydrophobicContact CD2-CE2 4.07Å; Y179-Y190 AromaticContact CD2-CG 3.86Å; Y179-Y190 HydrophobicContact CD2-CG 3.86Å; Y179-Y190 AromaticContact CD2-CZ 3.94Å; Y179-Y190 HydrophobicContact CE2-CD1 4.27Å; Y179-Y190 HydrophobicContact CE2-CE1 4.48Å; Y179-Y190 HydrophobicContact CG-CE2 4.41Å; Y179-Y190 PolarHBondContact N-OH 3.43Å; Y179-Y190 VanDerWaalsContact O-CE2 3.28Å; Y179-Y190 WeakPolarHBondContact O-CE2 3.4Å; Y179-Y190 PolarHBondContact O-OH 2.99Å; Y179-Y190 VanDerWaalsContact O-OH 3.05Å; P186-Y190 HydrophobicContact CB-CD2 4.45Å; P186-Y190 HydrophobicContact CB-CE2 4.49Å; P186-Y190 WeakPolarHBondContact O-CD2 3.19Å; P186-Y190 PolarHBondContact O-N 3.33Å; S188-Y190 PolarHBondContact O-N 2.99Å; Y190-E193 WeakPolarHBondContact O-CB 3.38Å; Y190-E193 PolarHBondContact O-N 2.94Å; Y190-Y229 VanDerWaalsContact CB-CE2 3.49Å
191A98.9Very high98.3Very high0 Ų049.6 Ų49.60%026%0.258CS..Hα-helixtrans-66.9-38.2179.100000112.2A187 S188 E193 V194 K195 Y229 K232 V233 Y236A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 2.65Å; A187-A191 VanDerWaalsContact O-N 3.13Å; S188-A191 PolarHBondContact O-N 2.82Å; S188-A191 VanDerWaalsContact O-N 3.13Å; A191-E193 PolarHBondContact O-N 2.98Å; A191-V194 WeakPolarHBondContact O-CB 3.39Å; A191-V194 PolarHBondContact O-N 3.28Å; A191-V194 VanDerWaalsContact O-N 3.11Å; A191-K195 PolarHBondContact O-N 3.3Å; A191-Y229 HydrophobicContact CB-CD2 4.14Å; A191-Y229 HydrophobicContact CB-CE2 4.34Å; A191-K232 HydrophobicContact CB-CB 3.67Å; A191-K232 HydrophobicContact CB-CD 4.44Å; A191-V233 HydrophobicContact CB-CG2 4.06Å; A191-Y236 HydrophobicContact CB-CE2 3.97Å
192E98.8Very high98.4Very high62 Ų6248.4 Ų48.429%0.2925%0.252SS..Hα-helixtrans-64.7-23.9174.7-73.9-70.8131.800112.8S188 K195 K196 Y236S188-E192 WeakPolarHBondContact O-CG 3.16Å; S188-E192 PolarHBondContact O-N 1.88Å; E192-K195 PolarHBondContact O-N 3.5Å; E192-K195 VanDerWaalsContact OE1-CD 3.29Å; E192-K195 WeakPolarHBondContact OE1-CD 3.38Å; E192-K195 IonicContact OE1-NZ 2.77Å; E192-K195 PolarHBondContact OE1-NZ 3.42Å; E192-K195 WeakPolarHBondContact OE2-CD 3.39Å; E192-K195 IonicContact OE2-NZ 3.6Å; E192-K195 PolarHBondContact OE2-NZ 3.49Å; E192-K196 VanDerWaalsContact O-CG 3.25Å; E192-K196 WeakPolarHBondContact O-CG 3.42Å; E192-K196 PolarHBondContact O-N 3.12Å; E192-Y236 PolarHBondContact OE1-OH 2.68Å
193E98.9Very high98.5Very high28 Ų2848.9 Ų48.913%0.13125%0.248CC..Hα-helixtrans-69.7-38.4171.4-62.2-72.8121.300111.7P170 K178 Y179 A189 Y190 A191 K195 K196 I197P170-E193 HydrophobicContact CG-CB 4.21Å; P170-E193 HydrophobicContact CG-CG 4.19Å; K178-E193 IonicContact NZ-OE1 2.76Å; K178-E193 PolarHBondContact NZ-OE1 2.79Å; K178-E193 IonicContact NZ-OE2 3.78Å; K178-E193 PolarHBondContact NZ-OE2 3.47Å; Y179-E193 HydrophobicContact CE2-CG 3.96Å; Y179-E193 PolarHBondContact OH-OE1 3.32Å; A189-E193 WeakPolarHBondContact O-CG 3.4Å; Y190-E193 WeakPolarHBondContact O-CB 3.38Å; Y190-E193 PolarHBondContact O-N 2.94Å; A191-E193 PolarHBondContact O-N 2.98Å; E193-K195 VanDerWaalsContact C-N 3.35Å; E193-K196 PolarHBondContact O-N 3.28Å; E193-K196 IonicContact OE1-NZ 3.56Å; E193-K196 PolarHBondContact OE1-NZ 3.44Å; E193-I197 WeakPolarHBondContact O-CG1 3.23Å; E193-I197 PolarHBondContact O-N 3.25Å
194V98.9Very high98.4Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-65-41.6173.1-179.30000110.6I133 A169 A191 I197 I198 F211 V233I133-V194 HydrophobicContact CD1-CG1 3.86Å; I133-V194 HydrophobicContact CG2-CG1 4.37Å; A169-V194 HydrophobicContact CB-CG2 3.73Å; A191-V194 WeakPolarHBondContact O-CB 3.39Å; A191-V194 PolarHBondContact O-N 3.28Å; A191-V194 VanDerWaalsContact O-N 3.11Å; V194-I197 WeakPolarHBondContact O-CB 3.29Å; V194-I197 PolarHBondContact O-N 3.04Å; V194-I198 HydrophobicContact CG1-CD1 4.02Å; V194-I198 VanDerWaalsContact O-CG1 3.32Å; V194-I198 WeakPolarHBondContact O-CG1 3.27Å; V194-I198 PolarHBondContact O-N 3.31Å; V194-F211 HydrophobicContact CG1-CD2 4.14Å; V194-F211 HydrophobicContact CG2-CD2 4.47Å; V194-F211 HydrophobicContact CG2-CE2 4.04Å; V194-V233 HydrophobicContact CB-CG2 4.18Å; V194-V233 HydrophobicContact CG1-CG1 4.1Å; V194-V233 HydrophobicContact CG1-CG2 4.5Å; V194-V233 HydrophobicContact CG2-CG2 3.86Å
195K98.9Very high98.4Very high60 Ų6048.8 Ų48.826%0.26126%0.257SS..Hα-helixtrans-60.9-43.6175.5-174.4-175.2167.4-163.60113A191 E192 E193 I197 I198 E199 Y236A191-K195 PolarHBondContact O-N 3.3Å; E192-K195 PolarHBondContact O-N 3.5Å; E192-K195 VanDerWaalsContact OE1-CD 3.29Å; E192-K195 WeakPolarHBondContact OE1-CD 3.38Å; E192-K195 IonicContact OE1-NZ 2.77Å; E192-K195 PolarHBondContact OE1-NZ 3.42Å; E192-K195 WeakPolarHBondContact OE2-CD 3.39Å; E192-K195 IonicContact OE2-NZ 3.6Å; E192-K195 PolarHBondContact OE2-NZ 3.49Å; E193-K195 VanDerWaalsContact C-N 3.35Å; K195-I197 VanDerWaalsContact C-N 3.33Å; K195-I197 PolarHBondContact O-N 3.19Å; K195-I198 WeakPolarHBondContact O-CB 3.48Å; K195-I198 PolarHBondContact O-N 2.84Å; K195-I198 VanDerWaalsContact O-N 3.15Å; K195-E199 WeakPolarHBondContact O-CG 3.18Å; K195-E199 PolarHBondContact O-N 2.88Å; K195-Y236 HydrophobicContact CB-CD2 3.67Å; K195-Y236 HydrophobicContact CB-CE2 3.96Å; K195-Y236 HydrophobicContact CB-CG 4.09Å; K195-Y236 HydrophobicContact CD-CD1 4.27Å; K195-Y236 HydrophobicContact CD-CD2 4.31Å; K195-Y236 HydrophobicContact CD-CE1 4.04Å; K195-Y236 HydrophobicContact CD-CE2 4.04Å; K195-Y236 HydrophobicContact CD-CG 4.43Å; K195-Y236 HydrophobicContact CG-CD1 4.42Å; K195-Y236 HydrophobicContact CG-CD2 4.25Å; K195-Y236 HydrophobicContact CG-CE2 4.46Å; K195-Y236 HydrophobicContact CG-CG 4.24Å
196K98.9Very high98.4Very high85 Ų8548.7 Ų48.737%0.3725%0.252SS..Hα-helixtrans-58-45.7174.3-70.9164.2-158.3172.20111.5E192 E193 I198 E199 E200E192-K196 VanDerWaalsContact O-CG 3.25Å; E192-K196 WeakPolarHBondContact O-CG 3.42Å; E192-K196 PolarHBondContact O-N 3.12Å; E193-K196 PolarHBondContact O-N 3.28Å; E193-K196 IonicContact OE1-NZ 3.56Å; E193-K196 PolarHBondContact OE1-NZ 3.44Å; K196-I198 VanDerWaalsContact C-N 3.32Å; K196-I198 PolarHBondContact O-N 3.07Å; K196-E199 PolarHBondContact O-N 3.38Å; K196-E200 WeakPolarHBondContact O-CB 3.31Å; K196-E200 WeakPolarHBondContact O-CG 3.28Å; K196-E200 PolarHBondContact O-N 3.26Å
197I98.9Very high98.4Very high25 Ų2552.5 Ų52.513%0.12827%0.266CS..Hα-helixtrans-57.1-45.5174.8-73166.6000111.1I133 H167 A169 E193 V194 K195 T201I133-I197 HydrophobicContact CD1-CG2 3.82Å; I133-I197 HydrophobicContact CG1-CG2 4.06Å; I133-I197 HydrophobicContact CG2-CG2 4.45Å; H167-I197 HydrophobicContact CB-CG2 3.42Å; H167-I197 VanDerWaalsContact CB-CG2 3.42Å; A169-I197 HydrophobicContact CB-CD1 3.81Å; E193-I197 WeakPolarHBondContact O-CG1 3.23Å; E193-I197 PolarHBondContact O-N 3.25Å; V194-I197 WeakPolarHBondContact O-CB 3.29Å; V194-I197 PolarHBondContact O-N 3.04Å; K195-I197 VanDerWaalsContact C-N 3.33Å; K195-I197 PolarHBondContact O-N 3.19Å; I197-T201 VanDerWaalsContact O-CB 3.26Å; I197-T201 WeakPolarHBondContact O-CB 3.25Å; I197-T201 PolarHBondContact O-N 3.1Å; I197-T201 PolarHBondContact O-OG1 3.25Å
198I98.9Very high98.5Very high8 Ų852.1 Ų52.14%0.04126%0.263CS..Hα-helixtrans-60.4-51.1177.1-68.9166.3000110.6I133 V194 K195 K196 E200 T201 Q202 I208 V237 A240I133-I198 HydrophobicContact CD1-CD1 4.18Å; I133-I198 HydrophobicContact CD1-CG1 3.58Å; V194-I198 HydrophobicContact CG1-CD1 4.02Å; V194-I198 VanDerWaalsContact O-CG1 3.32Å; V194-I198 WeakPolarHBondContact O-CG1 3.27Å; V194-I198 PolarHBondContact O-N 3.31Å; K195-I198 WeakPolarHBondContact O-CB 3.48Å; K195-I198 PolarHBondContact O-N 2.84Å; K195-I198 VanDerWaalsContact O-N 3.15Å; K196-I198 VanDerWaalsContact C-N 3.32Å; K196-I198 PolarHBondContact O-N 3.07Å; I198-E200 PolarHBondContact O-N 3.12Å; I198-T201 PolarHBondContact O-N 3.16Å; I198-Q202 WeakPolarHBondContact O-CB 3.46Å; I198-Q202 WeakPolarHBondContact O-CG 3.39Å; I198-Q202 PolarHBondContact O-N 3.27Å; I198-I208 HydrophobicContact CG1-CG1 4.24Å; I198-V237 HydrophobicContact CD1-CG2 4.02Å; I198-A240 HydrophobicContact CG2-CB 3.6Å
199E98.7Very high98.5Very high78 Ų7850.7 Ų50.736%0.36425%0.253SS..Hα-helixtrans-61-44-179.8-72.7-176.3-159.100112.6K195 K196 Q202 K203K195-E199 WeakPolarHBondContact O-CG 3.18Å; K195-E199 PolarHBondContact O-N 2.88Å; K196-E199 PolarHBondContact O-N 3.38Å; E199-Q202 PolarHBondContact O-N 2.8Å; E199-K203 WeakPolarHBondContact O-CB 3.47Å; E199-K203 WeakPolarHBondContact O-CD 3.36Å; E199-K203 WeakPolarHBondContact O-CG 3.4Å; E199-K203 PolarHBondContact O-N 2.87Å; E199-K203 IonicContact OE2-NZ 3.97Å; E199-K203 PolarHBondContact OE2-NZ 2.9Å
200E98.6Very high98.5Very high113 Ų11350 Ų5053%0.52825%0.247SC..Hα-helixtrans-64.4-42.6176.8-73.2173.6-171.900111.5K196 I198 Q202 K203 N204K196-E200 WeakPolarHBondContact O-CB 3.31Å; K196-E200 WeakPolarHBondContact O-CG 3.28Å; K196-E200 PolarHBondContact O-N 3.26Å; I198-E200 PolarHBondContact O-N 3.12Å; E200-Q202 PolarHBondContact O-N 3.13Å; E200-K203 PolarHBondContact O-N 3.4Å; E200-N204 PolarHBondContact O-N 2.71Å; E200-N204 VanDerWaalsContact O-N 3.09Å; E200-N204 PolarHBondContact O-ND2 2.98Å; E200-N204 VanDerWaalsContact O-ND2 3.09Å
201T98.3Very high98.5Very high5 Ų550 Ų503%0.03125%0.247CC..Hα-helixtrans-61.3-44.2176.3-58.10000111.2D131 H167 I197 I198 N204 G205 R206 I208D131-T201 HydrophobicContact CB-CG2 4.45Å; D131-T201 WeakPolarHBondContact OD2-CG2 3.27Å; H167-T201 PolarHBondContact CE1-OG1 2.74Å; H167-T201 PolarHBondContact NE2-OG1 2.89Å; I197-T201 VanDerWaalsContact O-CB 3.26Å; I197-T201 WeakPolarHBondContact O-CB 3.25Å; I197-T201 PolarHBondContact O-N 3.1Å; I197-T201 PolarHBondContact O-OG1 3.25Å; I198-T201 PolarHBondContact O-N 3.16Å; T201-N204 CarbonylContact O-C 3.59Å; T201-N204 PolarHBondContact O-N 2.85Å; T201-G205 PolarHBondContact O-N 2.89Å; T201-R206 HydrophobicContact CG2-CB 3.52Å; T201-R206 WeakPolarHBondContact O-CB 3.34Å; T201-R206 PolarHBondContact O-N 2.74Å; T201-I208 HydrophobicContact CG2-CD1 3.71Å; T201-I208 HydrophobicContact CG2-CG1 4.37Å
202Q97.4Very high98.5Very high78 Ų7850 Ų5036%0.36425%0.247SC..Hα-helixtrans-69-38.7177.4-71.7-179.1-7.200113I198 E199 E200 N204 G205I198-Q202 WeakPolarHBondContact O-CB 3.46Å; I198-Q202 WeakPolarHBondContact O-CG 3.39Å; I198-Q202 PolarHBondContact O-N 3.27Å; E199-Q202 PolarHBondContact O-N 2.8Å; E200-Q202 PolarHBondContact O-N 3.13Å; Q202-N204 PolarHBondContact O-N 2.92Å; Q202-G205 PolarHBondContact O-N 2.79Å
203K97.8Very high98.5Very high147 Ų14747 Ų4764%0.63923%0.233SC*.Hα-helixtrans-58.7-33.1172.7-74.7159.9-166.4159.30111.6E199 E200 G205E199-K203 WeakPolarHBondContact O-CB 3.47Å; E199-K203 WeakPolarHBondContact O-CD 3.36Å; E199-K203 WeakPolarHBondContact O-CG 3.4Å; E199-K203 PolarHBondContact O-N 2.87Å; E199-K203 IonicContact OE2-NZ 3.97Å; E199-K203 PolarHBondContact OE2-NZ 2.9Å; E200-K203 PolarHBondContact O-N 3.4Å; K203-G205 VanDerWaalsContact C-N 3.26Å; K203-G205 PolarHBondContact O-N 3.24Å
204N96.9Very high98.5Very high127 Ų12745.8 Ų45.868%0.67923%0.228SC*.THydrogen-bonded Turntrans-8410.6174.6-65.3-34000114E200 T201 Q202 R206E200-N204 PolarHBondContact O-N 2.71Å; E200-N204 VanDerWaalsContact O-N 3.09Å; E200-N204 PolarHBondContact O-ND2 2.98Å; E200-N204 VanDerWaalsContact O-ND2 3.09Å; T201-N204 CarbonylContact O-C 3.59Å; T201-N204 PolarHBondContact O-N 2.85Å; Q202-N204 PolarHBondContact O-N 2.92Å; N204-R206 PolarHBondContact O-N 2.91Å
205G97.5Very high98.5Very high64 Ų6446 Ų4666%0.6623%0.23SC*.THydrogen-bonded Turntrans74.45.6177.500000115.2T201 Q202 K203T201-G205 PolarHBondContact O-N 2.89Å; Q202-G205 PolarHBondContact O-N 2.79Å; K203-G205 VanDerWaalsContact C-N 3.26Å; K203-G205 PolarHBondContact O-N 3.24Å
206R98.4Very high98.5Very high62 Ų6243.3 Ų43.323%0.23422%0.218CC..  trans-90.6166179.8-60.3-177.867.389.914.1111D131 E164 T201 N204D131-R206 IonicContact OD1-CZ 3.91Å; D131-R206 IonicContact OD1-NE 3.18Å; D131-R206 PolarHBondContact OD1-NE 2.76Å; D131-R206 IonicContact OD1-NH2 3.62Å; D131-R206 PolarHBondContact OD1-NH2 2.6Å; D131-R206 IonicContact OD2-CZ 3.68Å; D131-R206 IonicContact OD2-NE 2.7Å; D131-R206 PolarHBondContact OD2-NE 3.34Å; D131-R206 IonicContact OD2-NH2 3.43Å; E164-R206 IonicContact OE1-CZ 3.48Å; E164-R206 IonicContact OE1-NH1 2.91Å; E164-R206 PolarHBondContact OE1-NH1 2.93Å; E164-R206 IonicContact OE2-NH1 3.34Å; E164-R206 PolarHBondContact OE2-NH1 2.85Å; T201-R206 HydrophobicContact CG2-CB 3.52Å; T201-R206 WeakPolarHBondContact O-CB 3.34Å; T201-R206 PolarHBondContact O-N 2.74Å; N204-R206 PolarHBondContact O-N 2.91Å
207K98.3Very high98.5Very high105 Ų10539.2 Ų39.246%0.45720%0.2SC..  trans-136.4131.5-173.4-64.6-68.3-174175.10112.4H129 Q130 D131H129-K207 HydrophobicContact CB-CB 3.98Å; H129-K207 WeakPolarHBondContact CD2-CB 3.36Å; Q130-K207 PolarHBondContact N-O 2.92Å; D131-K207 WeakPolarHBondContact CB-O 3.45Å; D131-K207 PolarHBondContact N-O 2.8Å; D131-K207 VanDerWaalsContact N-O 3.13Å
208I98.8Very high98.3Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-79.8120.8-178.6-56-64.3000109.8H129 D131 I133 I198 T201 G242H129-I208 PolarHBondContact ND1-O 3.04Å; D131-I208 HydrophobicContact CB-CD1 3.97Å; I133-I208 HydrophobicContact CD1-CD1 3.98Å; I133-I208 HydrophobicContact CD1-CG1 4.42Å; I133-I208 HydrophobicContact CD1-CG2 4.23Å; I133-I208 HydrophobicContact CG1-CD1 3.92Å; I133-I208 HydrophobicContact CG1-CG2 4.26Å; I198-I208 HydrophobicContact CG1-CG1 4.24Å; T201-I208 HydrophobicContact CG2-CD1 3.71Å; T201-I208 HydrophobicContact CG2-CG1 4.37Å; I208-G242 WeakPolarHBondContact O-CA 3.44Å
209A98.9Very high98Very high2 Ų238.4 Ų38.42%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-82.9-44.1170.600000111.3R124 H129 D131 G242 V243R124-A209 HydrophobicContact CG-CB 3.89Å; H129-A209 HydrophobicContact CB-CB 3.87Å; H129-A209 WeakPolarHBondContact O-CB 3.42Å; D131-A209 WeakPolarHBondContact O-CB 3.37Å; D131-A209 PolarHBondContact O-N 2.91Å; A209-G242 CarbonylContact O-C 3.52Å; A209-G242 VanDerWaalsContact O-CA 3.29Å; A209-G242 WeakPolarHBondContact O-CA 3.24Å; A209-V243 WeakPolarHBondContact O-CG2 3.44Å; A209-V243 PolarHBondContact O-N 3.19Å
210A98.9Very high97.8Very high0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-151.7153.7-17600000114.2A123 D131 V132 I133 V243 I245A123-A210 HydrophobicContact CB-CB 3.89Å; D131-A210 PolarHBondContact O-N 2.68Å; V132-A210 WeakPolarHBondContact CA-O 3.4Å; I133-A210 PolarHBondContact N-O 3.03Å; A210-V243 WeakPolarHBondContact CA-O 3.19Å; A210-V243 HydrophobicContact CB-CG2 4.3Å; A210-I245 HydrophobicContact CB-CD1 3.61Å; A210-I245 HydrophobicContact CB-CG1 4.01Å
211F98.9Very high97.7Very high0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-101.7133.8148.7173.2-87000108.3I133 L135 V194 A213 Y229 F230 V233 V237 V243 F244 I245I133-F211 HydrophobicContact CB-CB 4.45Å; I133-F211 HydrophobicContact CB-CD2 3.92Å; I133-F211 HydrophobicContact CG2-CD2 3.81Å; I133-F211 HydrophobicContact CG2-CE2 4.3Å; I133-F211 WeakPolarHBondContact O-CA 3.46Å; L135-F211 HydrophobicContact CD1-CZ 4.49Å; L135-F211 HydrophobicContact CD2-CE2 3.95Å; L135-F211 HydrophobicContact CD2-CZ 3.86Å; L135-F211 HydrophobicContact CG-CE2 4.49Å; L135-F211 HydrophobicContact CG-CZ 4.15Å; V194-F211 HydrophobicContact CG1-CD2 4.14Å; V194-F211 HydrophobicContact CG2-CD2 4.47Å; V194-F211 HydrophobicContact CG2-CE2 4.04Å; F211-A213 HydrophobicContact CD1-CB 4.44Å; F211-A213 HydrophobicContact CE1-CB 3.5Å; F211-A213 HydrophobicContact CZ-CB 3.87Å; F211-Y229 HydrophobicContact CZ-CE1 4.47Å; F211-F230 HydrophobicContact CE1-CD1 4.06Å; F211-F230 AromaticContact CE1-CE1 3.93Å; F211-F230 HydrophobicContact CE1-CE1 3.93Å; F211-F230 HydrophobicContact CZ-CD1 4.43Å; F211-F230 HydrophobicContact CZ-CE1 4.16Å; F211-V233 HydrophobicContact CB-CG1 4.27Å; F211-V233 HydrophobicContact CD1-CG1 3.67Å; F211-V233 HydrophobicContact CD2-CG1 3.68Å; F211-V233 HydrophobicContact CE1-CG1 3.8Å; F211-V233 HydrophobicContact CE2-CG1 3.83Å; F211-V233 HydrophobicContact CG-CG1 3.61Å; F211-V233 HydrophobicContact CZ-CG1 3.89Å; F211-V237 HydrophobicContact CB-CG1 4.3Å; F211-V237 HydrophobicContact CB-CG2 3.56Å; F211-V237 HydrophobicContact CG-CG2 4.42Å; F211-V243 PolarHBondContact N-O 3.06Å; F211-F244 AromaticContact CD1-CD2 3.72Å; F211-F244 HydrophobicContact CD1-CD2 3.72Å; F211-F244 HydrophobicContact CD1-CE1 4.46Å; F211-F244 AromaticContact CD1-CE2 3.36Å; F211-F244 HydrophobicContact CD1-CE2 3.36Å; F211-F244 HydrophobicContact CD1-CG 4.43Å; F211-F244 AromaticContact CD1-CZ 3.77Å; F211-F244 HydrophobicContact CD1-CZ 3.77Å; F211-F244 HydrophobicContact CE1-CD2 4.29Å; F211-F244 AromaticContact CE1-CE2 3.45Å; F211-F244 HydrophobicContact CE1-CE2 3.45Å; F211-F244 VanDerWaalsContact CE1-CE2 3.45Å; F211-F244 AromaticContact CE1-CZ 3.61Å; F211-F244 HydrophobicContact CE1-CZ 3.61Å; F211-F244 HydrophobicContact CG-CE2 4.5Å; F211-I245 PolarHBondContact O-N 3.11Å
212I98.9Very high97.7Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-125.6132.4176.7-173.9171.5000110.5V132 I133 I149 I245V132-I212 HydrophobicContact CG1-CG2 3.71Å; I133-I212 PolarHBondContact O-N 2.94Å; I149-I212 HydrophobicContact CD1-CD1 3.97Å; I149-I212 HydrophobicContact CD1-CG2 3.74Å; I212-I245 WeakPolarHBondContact CA-O 2.99Å; I212-I245 HydrophobicContact CB-CB 4Å; I212-I245 HydrophobicContact CB-CD1 4.41Å; I212-I245 HydrophobicContact CD1-CB 4.31Å; I212-I245 HydrophobicContact CD1-CD1 4.48Å; I212-I245 HydrophobicContact CD1-CG2 3.9Å; I212-I245 HydrophobicContact CG1-CB 3.87Å; I212-I245 HydrophobicContact CG1-CG2 3.87Å
213A98.9Very high97.7Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-146.4144176.200000112.1L135 F211 S215 F230 I245 D247L135-A213 HydrophobicContact CD1-CB 3.7Å; L135-A213 HydrophobicContact CG-CB 4.22Å; F211-A213 HydrophobicContact CD1-CB 4.44Å; F211-A213 HydrophobicContact CE1-CB 3.5Å; F211-A213 HydrophobicContact CZ-CB 3.87Å; A213-S215 PolarHBondContact O-N 3.02Å; A213-F230 HydrophobicContact CB-CE1 3.61Å; A213-F230 HydrophobicContact CB-CZ 3.71Å; A213-I245 PolarHBondContact N-O 3.02Å; A213-D247 PolarHBondContact O-N 3.23Å
214E98.9Very high97.8Very high3 Ų321.1 Ų21.11%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-63.4125.3159.6-66.2169.576.100107.4Y139 M216 Q217 S218 D247Y139-E214 PolarHBondContact N-OE2 3.4Å; E214-M216 PolarHBondContact O-N 3.39Å; E214-Q217 HydrophobicContact CB-CG 4.4Å; E214-S218 PolarHBondContact OE1-N 3.03Å; E214-D247 WeakPolarHBondContact CA-O 3.45Å; E214-D247 HydrophobicContact CG-CB 4.5Å
215S98.7Very high97.8Very high5 Ų515.2 Ų15.24%0.0359%0.089CC..SBendtrans-57.2-27.7-177.6-60.70000112.8A213 P225 D247 E248A213-S215 PolarHBondContact O-N 3.02Å; S215-P225 WeakPolarHBondContact O-CD 3.47Å; S215-D247 PolarHBondContact N-O 3.38Å; S215-E248 WeakPolarHBondContact CB-OE1 3.4Å; S215-E248 PolarHBondContact OG-OE1 3.38Å
216M98.6Very high97.8Very high2 Ų213.1 Ų13.11%0.016%0.063CC..SBendtrans-138.9128156.2-55.2179.9-65.100108E214 S218 V223 I224 V251 V256 A262 L265 V364 F367E214-M216 PolarHBondContact O-N 3.39Å; M216-S218 PolarHBondContact O-N 3.48Å; M216-V223 CarbonylContact C-O 3.17Å; M216-V223 VanDerWaalsContact CA-O 3.25Å; M216-V223 WeakPolarHBondContact CA-O 3.12Å; M216-V223 WeakPolarHBondContact CB-O 3.19Å; M216-I224 HydrophobicContact CG-CG1 4.45Å; M216-I224 HydrophobicContact SD-CG1 3.96Å; M216-V251 HydrophobicContact CB-CG1 4.38Å; M216-V251 HydrophobicContact CE-CB 3.97Å; M216-V251 HydrophobicContact CE-CG1 3.58Å; M216-V256 HydrophobicContact CE-CG1 3.36Å; M216-V256 HydrophobicContact SD-CG1 4.19Å; M216-A262 HydrophobicContact CE-CB 4.32Å; M216-L265 HydrophobicContact SD-CD1 4.21Å; M216-V364 HydrophobicContact SD-CG2 4.41Å; M216-F367 HydrophobicContact CB-CD1 4.32Å; M216-F367 HydrophobicContact CB-CE1 3.71Å; M216-F367 HydrophobicContact CB-CZ 4.35Å; M216-F367 HydrophobicContact CE-CB 3.95Å; M216-F367 HydrophobicContact CE-CD1 3.32Å; M216-F367 HydrophobicContact CE-CE1 3.83Å; M216-F367 HydrophobicContact CE-CG 3.73Å; M216-F367 HydrophobicContact SD-CD1 4.05Å; M216-F367 HydrophobicContact SD-CE1 4.38Å
217Q98.5Very high97.7Very high0 Ų015.4 Ų15.40%08%0.084CC..BIsolated β-bridgetrans-71119.4-173.2-54.8-173.2-87.300111.1L135 E136 S171 E214 Q222 V223L135-Q217 HydrophobicContact CD1-CG 4.42Å; E136-Q217 PolarHBondContact O-NE2 3.17Å; S171-Q217 PolarHBondContact OG-OE1 3.38Å; E214-Q217 HydrophobicContact CB-CG 4.4Å; Q217-Q222 CarbonylContact O-C 3.6Å; Q217-Q222 WeakPolarHBondContact O-CA 3.37Å; Q217-Q222 PolarHBondContact O-N 3.3Å; Q217-V223 HydrophobicContact CB-CB 4.15Å; Q217-V223 HydrophobicContact CG-CB 4.43Å; Q217-V223 PolarHBondContact N-O 2.68Å; Q217-V223 PolarHBondContact O-N 2.81Å; Q217-V223 VanDerWaalsContact O-N 3.11Å
218S95.6Very high97.6Very high0 Ų011.3 Ų11.30%07%0.072CC..THydrogen-bonded Turntrans-80.9-59.6178.1-169.10000111.3E214 M216 G220 G221 Q222E214-S218 PolarHBondContact OE1-N 3.03Å; M216-S218 PolarHBondContact O-N 3.48Å; S218-G220 PolarHBondContact O-N 3.21Å; S218-G221 PolarHBondContact O-N 3.4Å; S218-Q222 PolarHBondContact O-N 3.44Å; S218-Q222 PolarHBondContact O-OE1 2.99Å; S218-Q222 PolarHBondContact OG-OE1 3.34Å; S218-Q222 VanDerWaalsContact OG-OE1 3.07Å
219C93.7Very high97.6Very high16 Ų1611.3 Ų11.311%0.1087%0.072CC..THydrogen-bonded Turntrans-68.9-25.9-179.9-72.90000113Y152 G221 D403 G404Y152-C219 HydrophobicContact CD1-CB 3.67Å; Y152-C219 HydrophobicContact CD2-CB 4.32Å; Y152-C219 HydrophobicContact CE1-CB 3.71Å; Y152-C219 HydrophobicContact CE2-CB 4.38Å; Y152-C219 WeakPolarHBondContact CE2-O 3.43Å; Y152-C219 HydrophobicContact CG-CB 3.99Å; C219-G221 PolarHBondContact O-N 3.07Å; C219-D403 WeakPolarHBondContact CA-OD2 3.4Å; C219-D403 PolarHBondContact SG-OD2 3.48Å; C219-D403 VanDerWaalsContact SG-OD2 3.42Å; C219-G404 VanDerWaalsContact O-CA 3.26Å; C219-G404 WeakPolarHBondContact O-CA 3.39Å; C219-G404 PolarHBondContact O-N 3.01Å
220G94.1Very high97.6Very high3 Ų311.3 Ų11.33%0.0317%0.071CC..THydrogen-bonded Turntrans-62.4-16.9169.200000114.5N137 S218N137-G220 WeakPolarHBondContact O-CA 3.25Å; N137-G220 PolarHBondContact O-N 3.26Å; S218-G220 PolarHBondContact O-N 3.21Å
221G96.1Very high97.6Very high0 Ų014.1 Ų14.10%09%0.085CC..THydrogen-bonded Turntrans109.845175.400000113.8S218 C219 V223 R362S218-G221 PolarHBondContact O-N 3.4Å; C219-G221 PolarHBondContact O-N 3.07Å; G221-V223 VanDerWaalsContact C-N 3.33Å; G221-V223 PolarHBondContact O-N 2.66Å; G221-R362 PolarHBondContact O-NE 2.83Å; G221-R362 PolarHBondContact O-NH2 3.25Å
222Q97.8Very high97.6Very high1 Ų116.9 Ų16.91%0.00510%0.097CC..SBendtrans58.442.2176.8-48.3-64.1108.700112.5Q217 S218 R362 F367 I409 K411Q217-Q222 CarbonylContact O-C 3.6Å; Q217-Q222 WeakPolarHBondContact O-CA 3.37Å; Q217-Q222 PolarHBondContact O-N 3.3Å; S218-Q222 PolarHBondContact O-N 3.44Å; S218-Q222 PolarHBondContact O-OE1 2.99Å; S218-Q222 PolarHBondContact OG-OE1 3.34Å; S218-Q222 VanDerWaalsContact OG-OE1 3.07Å; Q222-R362 WeakPolarHBondContact O-CD 3.38Å; Q222-R362 PolarHBondContact O-NE 2.89Å; Q222-F367 HydrophobicContact CB-CE1 4.21Å; Q222-F367 VanDerWaalsContact NE2-CE2 3.33Å; Q222-I409 HydrophobicContact CG-CG2 4.45Å; Q222-K411 HydrophobicContact CG-CB 4.47Å; Q222-K411 HydrophobicContact CG-CG 4.18Å; Q222-K411 VanDerWaalsContact OE1-CD 3.25Å
223V98.4Very high97.6Very high1 Ų116.9 Ų16.91%0.00610%0.097CC..BIsolated β-bridgetrans-78.3126.6-176.8178.50000110D173 M216 Q217 G221D173-V223 HydrophobicContact CB-CG1 3.92Å; D173-V223 HydrophobicContact CB-CG2 4.02Å; M216-V223 CarbonylContact C-O 3.17Å; M216-V223 VanDerWaalsContact CA-O 3.25Å; M216-V223 WeakPolarHBondContact CA-O 3.12Å; M216-V223 WeakPolarHBondContact CB-O 3.19Å; Q217-V223 HydrophobicContact CB-CB 4.15Å; Q217-V223 HydrophobicContact CG-CB 4.43Å; Q217-V223 PolarHBondContact N-O 2.68Å; Q217-V223 PolarHBondContact O-N 2.81Å; Q217-V223 VanDerWaalsContact O-N 3.11Å; G221-V223 VanDerWaalsContact C-N 3.33Å; G221-V223 PolarHBondContact O-N 2.66Å
224I98.2Very high97.6Very high53 Ų5317 Ų1727%0.27210%0.098SC..  trans-101.1115.7171.9-55.2163000107.2M216 V364M216-I224 HydrophobicContact CG-CG1 4.45Å; M216-I224 HydrophobicContact SD-CG1 3.96Å; I224-V364 HydrophobicContact CD1-CG2 3.75Å; I224-V364 HydrophobicContact CG1-CG2 4.46Å
225P98.2Very high97.6Very high3 Ų321.4 Ų21.42%0.01912%0.118CC..PPolyproline II helixtrans-63.3141.6175.1-20.132.3000111.3P172 S215 Y229 F230 Q266P172-P225 HydrophobicContact CB-CB 4.24Å; P172-P225 HydrophobicContact CG-CB 3.81Å; P172-P225 HydrophobicContact CG-CG 3.98Å; S215-P225 WeakPolarHBondContact O-CD 3.47Å; P225-Y229 HydrophobicContact CB-CD1 3.69Å; P225-Y229 HydrophobicContact CB-CE1 4.42Å; P225-Y229 HydrophobicContact CB-CG 4.44Å; P225-F230 HydrophobicContact CB-CE2 4.32Å; P225-F230 HydrophobicContact CB-CZ 4.22Å; P225-F230 HydrophobicContact CG-CE1 4.23Å; P225-F230 HydrophobicContact CG-CE2 3.76Å; P225-F230 HydrophobicContact CG-CZ 3.54Å; P225-Q266 PolarHBondContact O-NE2 2.83Å
226P97.8Very high97.6Very high19 Ų1923.8 Ų23.812%0.12313%0.127CC..PPolyproline II helixtrans-52.1145.6174.7-29.337.4000112.5P172 I174 P186 A187 G228 Y229 Q266P172-P226 WeakPolarHBondContact O-CD 3.35Å; I174-P226 HydrophobicContact CG2-CG 3.66Å; P186-P226 HydrophobicContact CB-CG 4.33Å; P186-P226 HydrophobicContact CG-CB 4.49Å; P186-P226 HydrophobicContact CG-CG 4.22Å; A187-P226 HydrophobicContact CB-CB 3.79Å; P226-G228 PolarHBondContact O-N 2.84Å; P226-Y229 WeakPolarHBondContact O-CB 3.48Å; P226-Y229 PolarHBondContact O-N 3.13Å; P226-Y229 VanDerWaalsContact O-N 3.09Å; P226-Q266 PolarHBondContact O-NE2 2.94Å; P226-Q266 PolarHBondContact O-OE1 2.61Å
227V96.3Very high97.6Very high111 Ų11123.7 Ų23.767%0.67313%0.126SC*.THydrogen-bonded Turntrans-59.7134.4178.6179.20000110Y229V227-Y229 VanDerWaalsContact C-N 3.29Å; V227-Y229 PolarHBondContact O-N 2.66Å
228G96.4Very high97.6Very high19 Ų1927.7 Ų27.720%0.19615%0.145CC..THydrogen-bonded Turntrans80-1.4-17700000115.3P226 K232P226-G228 PolarHBondContact O-N 2.84Å; G228-K232 WeakPolarHBondContact O-CG 3.42Å; G228-K232 PolarHBondContact O-N 3Å
229Y98.6Very high97.7Very high0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-62.7-52.9173.7167.8-111.6000111.4L135 P172 Y190 A191 F211 P225 P226 V227 Q231 K232 V233L135-Y229 WeakPolarHBondContact CD2-OH 3.45Å; P172-Y229 HydrophobicContact CB-CD1 4.19Å; P172-Y229 HydrophobicContact CB-CE1 4.03Å; P172-Y229 HydrophobicContact CB-CG 4.5Å; P172-Y229 HydrophobicContact CG-CD1 4.2Å; P172-Y229 HydrophobicContact CG-CE1 3.81Å; Y190-Y229 VanDerWaalsContact CB-CE2 3.49Å; A191-Y229 HydrophobicContact CB-CD2 4.14Å; A191-Y229 HydrophobicContact CB-CE2 4.34Å; F211-Y229 HydrophobicContact CZ-CE1 4.47Å; P225-Y229 HydrophobicContact CB-CD1 3.69Å; P225-Y229 HydrophobicContact CB-CE1 4.42Å; P225-Y229 HydrophobicContact CB-CG 4.44Å; P226-Y229 WeakPolarHBondContact O-CB 3.48Å; P226-Y229 PolarHBondContact O-N 3.13Å; P226-Y229 VanDerWaalsContact O-N 3.09Å; V227-Y229 VanDerWaalsContact C-N 3.29Å; V227-Y229 PolarHBondContact O-N 2.66Å; Y229-Q231 VanDerWaalsContact C-N 3.31Å; Y229-Q231 PolarHBondContact O-N 3.23Å; Y229-K232 PolarHBondContact O-N 3.48Å; Y229-V233 HydrophobicContact CD2-CG2 4.01Å; Y229-V233 HydrophobicContact CE1-CG2 4.32Å; Y229-V233 HydrophobicContact CE2-CG2 3.51Å; Y229-V233 WeakPolarHBondContact O-CG2 3.49Å; Y229-V233 PolarHBondContact O-N 3.31Å
230F98.8Very high98Very high1 Ų131.6 Ų31.60%0.00418%0.178CC..Hα-helixtrans-69.4-29.7-176.9-70.1-37.1000112.8F211 A213 P225 V233 A234 F244 Q266 F270F211-F230 HydrophobicContact CE1-CD1 4.06Å; F211-F230 AromaticContact CE1-CE1 3.93Å; F211-F230 HydrophobicContact CE1-CE1 3.93Å; F211-F230 HydrophobicContact CZ-CD1 4.43Å; F211-F230 HydrophobicContact CZ-CE1 4.16Å; A213-F230 HydrophobicContact CB-CE1 3.61Å; A213-F230 HydrophobicContact CB-CZ 3.71Å; P225-F230 HydrophobicContact CB-CE2 4.32Å; P225-F230 HydrophobicContact CB-CZ 4.22Å; P225-F230 HydrophobicContact CG-CE1 4.23Å; P225-F230 HydrophobicContact CG-CE2 3.76Å; P225-F230 HydrophobicContact CG-CZ 3.54Å; F230-V233 PolarHBondContact O-N 3.26Å; F230-A234 WeakPolarHBondContact O-CB 3.25Å; F230-A234 PolarHBondContact O-N 3.06Å; F230-F244 HydrophobicContact CB-CE2 3.85Å; F230-F244 HydrophobicContact CB-CZ 3.83Å; F230-F244 AromaticContact CD1-CE2 3.79Å; F230-F244 HydrophobicContact CD1-CE2 3.79Å; F230-F244 AromaticContact CD1-CZ 3.5Å; F230-F244 HydrophobicContact CD1-CZ 3.5Å; F230-F244 HydrophobicContact CD2-CZ 4.15Å; F230-F244 AromaticContact CE1-CZ 3.97Å; F230-F244 HydrophobicContact CE1-CZ 3.97Å; F230-F244 HydrophobicContact CG-CE2 4.01Å; F230-F244 AromaticContact CG-CZ 3.61Å; F230-F244 HydrophobicContact CG-CZ 3.61Å; F230-F244 HydrophobicContact CZ-CZ 4.49Å; F230-Q266 HydrophobicContact CB-CG 4.05Å; F230-Q266 HydrophobicContact CD2-CG 3.7Å; F230-Q266 HydrophobicContact CG-CG 4.29Å; F230-F270 HydrophobicContact CB-CD1 4.44Å; F230-F270 HydrophobicContact CB-CD2 4.39Å; F230-F270 HydrophobicContact CB-CE1 3.84Å; F230-F270 HydrophobicContact CB-CE2 3.79Å; F230-F270 HydrophobicContact CB-CZ 3.5Å; F230-F270 VanDerWaalsContact CB-CZ 3.5Å; F230-F270 HydrophobicContact CD2-CE1 4.33Å; F230-F270 HydrophobicContact CG-CE1 4.5Å; F230-F270 HydrophobicContact CG-CZ 4.37Å; F230-F270 WeakPolarHBondContact O-CE2 3.45Å
231Q98.2Very high98.2Very high60 Ų6032.5 Ų32.528%0.2819%0.188SC..Hα-helixtrans-59.3-53.3173.2179.55738.900111.3Y229 V233 A234 E235 F270Y229-Q231 VanDerWaalsContact C-N 3.31Å; Y229-Q231 PolarHBondContact O-N 3.23Å; Q231-V233 VanDerWaalsContact C-N 3.33Å; Q231-V233 PolarHBondContact O-N 3Å; Q231-A234 PolarHBondContact O-N 3.32Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.39Å; Q231-E235 PolarHBondContact NE2-OE1 3.42Å; Q231-E235 WeakPolarHBondContact O-CG 3.26Å; Q231-E235 PolarHBondContact O-N 3Å; Q231-F270 HydrophobicContact CB-CD2 4.22Å
232K98.6Very high98.3Very high58 Ų5832.8 Ų32.825%0.25219%0.19SC..Hα-helixtrans-62.3-38.3177-68.7171.4-178.9172.30112.4D185 S188 A191 G228 Y229 E235 Y236D185-K232 IonicContact OD2-NZ 2.73Å; S188-K232 PolarHBondContact OG-NZ 2.79Å; A191-K232 HydrophobicContact CB-CB 3.67Å; A191-K232 HydrophobicContact CB-CD 4.44Å; G228-K232 WeakPolarHBondContact O-CG 3.42Å; G228-K232 PolarHBondContact O-N 3Å; Y229-K232 PolarHBondContact O-N 3.48Å; K232-E235 PolarHBondContact O-N 3.47Å; K232-Y236 HydrophobicContact CB-CE2 4.41Å; K232-Y236 WeakPolarHBondContact O-CD2 3.27Å; K232-Y236 VanDerWaalsContact O-CG 3.29Å; K232-Y236 PolarHBondContact O-N 2.85Å; K232-Y236 VanDerWaalsContact O-N 3.17Å
233V98.9Very high98.4Very high0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-64.2-44175.1166.60000111.6A191 V194 F211 Y229 F230 Q231 Y236 V237 F244A191-V233 HydrophobicContact CB-CG2 4.06Å; V194-V233 HydrophobicContact CB-CG2 4.18Å; V194-V233 HydrophobicContact CG1-CG1 4.1Å; V194-V233 HydrophobicContact CG1-CG2 4.5Å; V194-V233 HydrophobicContact CG2-CG2 3.86Å; F211-V233 HydrophobicContact CB-CG1 4.27Å; F211-V233 HydrophobicContact CD1-CG1 3.67Å; F211-V233 HydrophobicContact CD2-CG1 3.68Å; F211-V233 HydrophobicContact CE1-CG1 3.8Å; F211-V233 HydrophobicContact CE2-CG1 3.83Å; F211-V233 HydrophobicContact CG-CG1 3.61Å; F211-V233 HydrophobicContact CZ-CG1 3.89Å; Y229-V233 HydrophobicContact CD2-CG2 4.01Å; Y229-V233 HydrophobicContact CE1-CG2 4.32Å; Y229-V233 HydrophobicContact CE2-CG2 3.51Å; Y229-V233 WeakPolarHBondContact O-CG2 3.49Å; Y229-V233 PolarHBondContact O-N 3.31Å; F230-V233 PolarHBondContact O-N 3.26Å; Q231-V233 VanDerWaalsContact C-N 3.33Å; Q231-V233 PolarHBondContact O-N 3Å; V233-Y236 PolarHBondContact O-N 3.03Å; V233-V237 HydrophobicContact CG1-CG2 4.12Å; V233-V237 WeakPolarHBondContact O-CB 3.43Å; V233-V237 WeakPolarHBondContact O-CG2 3.29Å; V233-V237 PolarHBondContact O-N 3.49Å; V233-F244 HydrophobicContact CG1-CD2 4.33Å; V233-F244 HydrophobicContact CG1-CE2 4.06Å
234A98.8Very high98.4Very high3 Ų332.9 Ų32.93%0.02519%0.191CC..Hα-helixtrans-61.3-44.9176.700000111.3F230 Q231 Y236 V237 H238 F244 F270F230-A234 WeakPolarHBondContact O-CB 3.25Å; F230-A234 PolarHBondContact O-N 3.06Å; Q231-A234 PolarHBondContact O-N 3.32Å; A234-Y236 VanDerWaalsContact C-N 3.34Å; A234-Y236 PolarHBondContact O-N 3.05Å; A234-V237 PolarHBondContact O-N 3.11Å; A234-V237 VanDerWaalsContact O-N 3.13Å; A234-H238 WeakPolarHBondContact O-CB 3.48Å; A234-H238 PolarHBondContact O-N 3.48Å; A234-H238 PolarHBondContact O-ND1 3.45Å; A234-F244 HydrophobicContact CB-CB 4.36Å; A234-F244 HydrophobicContact CB-CD2 3.9Å; A234-F244 HydrophobicContact CB-CG 4.45Å; A234-F270 HydrophobicContact CB-CE2 3.95Å
235E98.8Very high98.4Very high94 Ų9430.3 Ų30.344%0.43918%0.178SC..Hα-helixtrans-54-46.5174.7-71.4162.7-161.600112.4Q231 K232 A239Q231-E235 WeakPolarHBondContact CG-OE1 3.39Å; Q231-E235 PolarHBondContact NE2-OE1 3.42Å; Q231-E235 WeakPolarHBondContact O-CG 3.26Å; Q231-E235 PolarHBondContact O-N 3Å; K232-E235 PolarHBondContact O-N 3.47Å; E235-A239 VanDerWaalsContact O-CB 3.3Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.14Å
236Y98.9Very high98.5Very high56 Ų5630.2 Ų30.222%0.2218%0.177CC..Hα-helixtrans-68.6-37.2177.5-57.3-31.5000113A191 E192 K195 K232 V233 A234 A240A191-Y236 HydrophobicContact CB-CE2 3.97Å; E192-Y236 PolarHBondContact OE1-OH 2.68Å; K195-Y236 HydrophobicContact CB-CD2 3.67Å; K195-Y236 HydrophobicContact CB-CE2 3.96Å; K195-Y236 HydrophobicContact CB-CG 4.09Å; K195-Y236 HydrophobicContact CD-CD1 4.27Å; K195-Y236 HydrophobicContact CD-CD2 4.31Å; K195-Y236 HydrophobicContact CD-CE1 4.04Å; K195-Y236 HydrophobicContact CD-CE2 4.04Å; K195-Y236 HydrophobicContact CD-CG 4.43Å; K195-Y236 HydrophobicContact CG-CD1 4.42Å; K195-Y236 HydrophobicContact CG-CD2 4.25Å; K195-Y236 HydrophobicContact CG-CE2 4.46Å; K195-Y236 HydrophobicContact CG-CG 4.24Å; K232-Y236 HydrophobicContact CB-CE2 4.41Å; K232-Y236 WeakPolarHBondContact O-CD2 3.27Å; K232-Y236 VanDerWaalsContact O-CG 3.29Å; K232-Y236 PolarHBondContact O-N 2.85Å; K232-Y236 VanDerWaalsContact O-N 3.17Å; V233-Y236 PolarHBondContact O-N 3.03Å; A234-Y236 VanDerWaalsContact C-N 3.34Å; A234-Y236 PolarHBondContact O-N 3.05Å; Y236-A240 PolarHBondContact O-N 3.39Å
237V98.9Very high98.5Very high0 Ų029.5 Ų29.50%017%0.172CC..Hα-helixtrans-70.9-42.7179.51700000111I198 F211 V233 A234 A240 G241 G242I198-V237 HydrophobicContact CD1-CG2 4.02Å; F211-V237 HydrophobicContact CB-CG1 4.3Å; F211-V237 HydrophobicContact CB-CG2 3.56Å; F211-V237 HydrophobicContact CG-CG2 4.42Å; V233-V237 HydrophobicContact CG1-CG2 4.12Å; V233-V237 WeakPolarHBondContact O-CB 3.43Å; V233-V237 WeakPolarHBondContact O-CG2 3.29Å; V233-V237 PolarHBondContact O-N 3.49Å; A234-V237 PolarHBondContact O-N 3.11Å; A234-V237 VanDerWaalsContact O-N 3.13Å; V237-A240 WeakPolarHBondContact O-CB 3.19Å; V237-A240 PolarHBondContact O-N 2.93Å; V237-A240 VanDerWaalsContact O-N 3.11Å; V237-G241 PolarHBondContact O-N 2.63Å; V237-G242 VanDerWaalsContact CG1-C 3.5Å; V237-G242 WeakPolarHBondContact O-CA 3.43Å; V237-G242 PolarHBondContact O-N 2.65Å
238H98.8Very high98.6Very high83 Ų8324.3 Ų24.338%0.38414%0.141SC..Hα-helixtrans-63-43.8173.9-65.2159.3000111.5A234 A240 G241 G242 D273A234-H238 WeakPolarHBondContact O-CB 3.48Å; A234-H238 PolarHBondContact O-N 3.48Å; A234-H238 PolarHBondContact O-ND1 3.45Å; H238-A240 PolarHBondContact O-N 3.34Å; H238-G241 PolarHBondContact O-N 2.71Å; H238-G242 PolarHBondContact CD2-O 2.99Å; H238-D273 IonicContact CD2-OD2 3.8Å; H238-D273 IonicContact CE1-OD1 3.88Å; H238-D273 IonicContact CE1-OD2 2.82Å; H238-D273 IonicContact NE2-OD1 2.83Å; H238-D273 PolarHBondContact NE2-OD1 3.14Å; H238-D273 IonicContact NE2-OD2 3.77Å; H238-D273 PolarHBondContact NE2-OD2 2.82Å
239A98.7Very high98.8Very high91 Ų9123.8 Ų23.875%0.75213%0.134SC*.Hα-helixtrans-61.1-23.417400000113.2E235E235-A239 VanDerWaalsContact O-CB 3.3Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.14Å
240A98.6Very high98.7Very high8 Ų824.5 Ų24.57%0.06614%0.137CC..THydrogen-bonded Turntrans-86-5.4173.700000114.5I198 Y236 V237 H238I198-A240 HydrophobicContact CG2-CB 3.6Å; Y236-A240 PolarHBondContact O-N 3.39Å; V237-A240 WeakPolarHBondContact O-CB 3.19Å; V237-A240 PolarHBondContact O-N 2.93Å; V237-A240 VanDerWaalsContact O-N 3.11Å; H238-A240 PolarHBondContact O-N 3.34Å
241G98.3Very high98.7Very high22 Ų2224.4 Ų24.423%0.22714%0.137CC..THydrogen-bonded Turntrans71.531.2-169.800000113.1H127 H129 V237 H238H127-G241 PolarHBondContact CD2-O 3.44Å; H129-G241 PolarHBondContact CE1-O 3.24Å; H129-G241 PolarHBondContact ND1-O 3.01Å; V237-G241 PolarHBondContact O-N 2.63Å; H238-G241 PolarHBondContact O-N 2.71Å
242G98.8Very high98.7Very high5 Ų521.6 Ų21.65%0.05212%0.123CC..  trans-106.217516800000111.7I208 A209 V237 H238I208-G242 WeakPolarHBondContact O-CA 3.44Å; A209-G242 CarbonylContact O-C 3.52Å; A209-G242 VanDerWaalsContact O-CA 3.29Å; A209-G242 WeakPolarHBondContact O-CA 3.24Å; V237-G242 VanDerWaalsContact CG1-C 3.5Å; V237-G242 WeakPolarHBondContact O-CA 3.43Å; V237-G242 PolarHBondContact O-N 2.65Å; H238-G242 PolarHBondContact CD2-O 2.99Å
243V98.9Very high98.7Very high4 Ų418.9 Ų18.92%0.02411%0.112CC..EExtended strand (participates in β ladder)trans-119.3155.6176.7-64.40000112.5A123 Y126 A209 A210 F211 D273 I274 I296A123-V243 HydrophobicContact CB-CG2 3.46Å; A123-V243 VanDerWaalsContact CB-CG2 3.46Å; Y126-V243 HydrophobicContact CD1-CG1 3.64Å; Y126-V243 HydrophobicContact CE1-CG1 3.86Å; A209-V243 WeakPolarHBondContact O-CG2 3.44Å; A209-V243 PolarHBondContact O-N 3.19Å; A210-V243 WeakPolarHBondContact CA-O 3.19Å; A210-V243 HydrophobicContact CB-CG2 4.3Å; F211-V243 PolarHBondContact N-O 3.06Å; V243-D273 HydrophobicContact CB-CB 4.03Å; V243-D273 HydrophobicContact CG1-CB 4.31Å; V243-I274 HydrophobicContact CG2-CD1 4.18Å; V243-I296 HydrophobicContact CB-CD1 4.48Å; V243-I296 HydrophobicContact CG1-CD1 3.87Å
244F98.9Very high98.7Very high0 Ų018.9 Ų18.90%011%0.112CC..EExtended strand (participates in β ladder)trans-92.7124.4174.1-165.5-69.5000111F211 F230 V233 A234 A246 F270 P272 D273 I274F211-F244 AromaticContact CD1-CD2 3.72Å; F211-F244 HydrophobicContact CD1-CD2 3.72Å; F211-F244 HydrophobicContact CD1-CE1 4.46Å; F211-F244 AromaticContact CD1-CE2 3.36Å; F211-F244 HydrophobicContact CD1-CE2 3.36Å; F211-F244 HydrophobicContact CD1-CG 4.43Å; F211-F244 AromaticContact CD1-CZ 3.77Å; F211-F244 HydrophobicContact CD1-CZ 3.77Å; F211-F244 HydrophobicContact CE1-CD2 4.29Å; F211-F244 AromaticContact CE1-CE2 3.45Å; F211-F244 HydrophobicContact CE1-CE2 3.45Å; F211-F244 VanDerWaalsContact CE1-CE2 3.45Å; F211-F244 AromaticContact CE1-CZ 3.61Å; F211-F244 HydrophobicContact CE1-CZ 3.61Å; F211-F244 HydrophobicContact CG-CE2 4.5Å; F230-F244 HydrophobicContact CB-CE2 3.85Å; F230-F244 HydrophobicContact CB-CZ 3.83Å; F230-F244 AromaticContact CD1-CE2 3.79Å; F230-F244 HydrophobicContact CD1-CE2 3.79Å; F230-F244 AromaticContact CD1-CZ 3.5Å; F230-F244 HydrophobicContact CD1-CZ 3.5Å; F230-F244 HydrophobicContact CD2-CZ 4.15Å; F230-F244 AromaticContact CE1-CZ 3.97Å; F230-F244 HydrophobicContact CE1-CZ 3.97Å; F230-F244 HydrophobicContact CG-CE2 4.01Å; F230-F244 AromaticContact CG-CZ 3.61Å; F230-F244 HydrophobicContact CG-CZ 3.61Å; F230-F244 HydrophobicContact CZ-CZ 4.49Å; V233-F244 HydrophobicContact CG1-CD2 4.33Å; V233-F244 HydrophobicContact CG1-CE2 4.06Å; A234-F244 HydrophobicContact CB-CB 4.36Å; A234-F244 HydrophobicContact CB-CD2 3.9Å; A234-F244 HydrophobicContact CB-CG 4.45Å; F244-A246 HydrophobicContact CD1-CB 4.43Å; F244-A246 HydrophobicContact CE1-CB 4.11Å; F244-F270 HydrophobicContact CD1-CZ 4Å; F244-F270 HydrophobicContact CD2-CE2 4.42Å; F244-F270 HydrophobicContact CD2-CZ 4.15Å; F244-F270 HydrophobicContact CE1-CE1 4.43Å; F244-F270 AromaticContact CE1-CZ 3.8Å; F244-F270 HydrophobicContact CE1-CZ 3.8Å; F244-F270 HydrophobicContact CE2-CE2 4.41Å; F244-F270 AromaticContact CE2-CZ 3.93Å; F244-F270 HydrophobicContact CE2-CZ 3.93Å; F244-F270 HydrophobicContact CG-CZ 4.19Å; F244-F270 AromaticContact CZ-CZ 3.76Å; F244-F270 HydrophobicContact CZ-CZ 3.76Å; F244-P272 HydrophobicContact CD1-CB 3.7Å; F244-P272 HydrophobicContact CE1-CB 4.41Å; F244-P272 HydrophobicContact CG-CB 4.49Å; F244-D273 PolarHBondContact N-OD2 2.84Å; F244-D273 PolarHBondContact O-N 3.05Å; F244-I274 PolarHBondContact O-N 3.44Å; F244-I274 VanDerWaalsContact O-N 3.12Å
245I98.9Very high98.7Very high0 Ų018.7 Ų18.70%011%0.11CC..EExtended strand (participates in β ladder)trans-107.3112.3174.4-50.1176.5000109.5A119 L120 A123 A210 F211 I212 A213 I274 T276A119-I245 HydrophobicContact CB-CD1 4.15Å; A119-I245 HydrophobicContact CB-CG2 3.95Å; L120-I245 HydrophobicContact CD2-CD1 4.15Å; A123-I245 HydrophobicContact CB-CD1 4.15Å; A210-I245 HydrophobicContact CB-CD1 3.61Å; A210-I245 HydrophobicContact CB-CG1 4.01Å; F211-I245 PolarHBondContact O-N 3.11Å; I212-I245 WeakPolarHBondContact CA-O 2.99Å; I212-I245 HydrophobicContact CB-CB 4Å; I212-I245 HydrophobicContact CB-CD1 4.41Å; I212-I245 HydrophobicContact CD1-CB 4.31Å; I212-I245 HydrophobicContact CD1-CD1 4.48Å; I212-I245 HydrophobicContact CD1-CG2 3.9Å; I212-I245 HydrophobicContact CG1-CB 3.87Å; I212-I245 HydrophobicContact CG1-CG2 3.87Å; A213-I245 PolarHBondContact N-O 3.02Å; I245-I274 CarbonylContact C-O 3.56Å; I245-I274 WeakPolarHBondContact CA-O 3.39Å; I245-I274 HydrophobicContact CB-CB 4.48Å; I245-I274 HydrophobicContact CD1-CD1 4.49Å; I245-I274 HydrophobicContact CG1-CB 4.16Å; I245-I274 HydrophobicContact CG1-CD1 4.21Å; I245-I274 HydrophobicContact CG1-CG1 4.46Å; I245-I274 HydrophobicContact CG2-CB 4.28Å; I245-I274 HydrophobicContact CG2-CG2 4.36Å; I245-T276 HydrophobicContact CG2-CG2 4.1Å
246A98.9Very high98.7Very high0 Ų014.3 Ų14.30%09%0.09CC..EExtended strand (participates in β ladder)trans-91.8115.8172.300000110.6F244 E248 F263 P272 I274 V275 T276F244-A246 HydrophobicContact CD1-CB 4.43Å; F244-A246 HydrophobicContact CE1-CB 4.11Å; A246-E248 PolarHBondContact O-N 3.26Å; A246-F263 HydrophobicContact CB-CB 4.4Å; A246-F263 HydrophobicContact CB-CD1 4.46Å; A246-P272 HydrophobicContact CB-CB 3.76Å; A246-P272 HydrophobicContact CB-CG 3.76Å; A246-I274 PolarHBondContact N-O 3.15Å; A246-V275 HydrophobicContact CB-CG2 4.48Å; A246-V275 WeakPolarHBondContact O-CA 3.37Å; A246-T276 PolarHBondContact O-N 2.88Å
247D98.9Very high98.7Very high5 Ų511.7 Ų11.73%0.0278%0.08CC..EExtended strand (participates in β ladder)trans-87.5100.6173.6-177.4-18.2000110N116 H140 A213 E214 S215 V249 T276N116-D247 PolarHBondContact ND2-OD2 3.06Å; H140-D247 IonicContact CE1-OD2 3.59Å; H140-D247 IonicContact CG-OD2 2.8Å; H140-D247 IonicContact ND1-OD2 3.53Å; H140-D247 PolarHBondContact ND1-OD2 3.05Å; A213-D247 PolarHBondContact O-N 3.23Å; E214-D247 WeakPolarHBondContact CA-O 3.45Å; E214-D247 HydrophobicContact CG-CB 4.5Å; S215-D247 PolarHBondContact N-O 3.38Å; D247-V249 WeakPolarHBondContact OD1-CB 3.32Å; D247-V249 WeakPolarHBondContact OD1-CG2 3.5Å; D247-V249 PolarHBondContact OD1-N 3.19Å; D247-T276 WeakPolarHBondContact CA-OG1 3.41Å
248E98.9Very high98.5Very high1 Ų118.7 Ų18.71%0.00511%0.111CC..  trans-96.27177.8-70-71.7153.500112.1S215 A246 Q250 V251 G252 W261 A262 F263 V275 T276S215-E248 WeakPolarHBondContact CB-OE1 3.4Å; S215-E248 PolarHBondContact OG-OE1 3.38Å; A246-E248 PolarHBondContact O-N 3.26Å; E248-Q250 PolarHBondContact O-N 2.91Å; E248-V251 PolarHBondContact O-N 2.91Å; E248-G252 PolarHBondContact O-N 2.88Å; E248-G252 VanDerWaalsContact OE2-CA 3.24Å; E248-G252 WeakPolarHBondContact OE2-CA 3.33Å; E248-G252 PolarHBondContact OE2-N 3Å; E248-G252 VanDerWaalsContact OE2-N 3.12Å; E248-W261 HydrophobicContact CB-CE3 3.75Å; E248-W261 HydrophobicContact CB-CZ3 3.97Å; E248-W261 HydrophobicContact CG-CE3 3.74Å; E248-W261 HydrophobicContact CG-CZ3 4.42Å; E248-A262 VanDerWaalsContact CD-N 3.33Å; E248-A262 PolarHBondContact OE1-N 2.94Å; E248-A262 VanDerWaalsContact OE1-N 3.13Å; E248-A262 WeakPolarHBondContact OE2-CB 3.24Å; E248-A262 PolarHBondContact OE2-N 3.22Å; E248-F263 HydrophobicContact CG-CD1 4.17Å; E248-F263 WeakPolarHBondContact OE1-CD1 3.09Å; E248-F263 PolarHBondContact OE1-N 3.44Å; E248-V275 HydrophobicContact CB-CG1 4.07Å; E248-V275 HydrophobicContact CG-CG1 3.72Å; E248-T276 CarbonylContact C-O 3.45Å; E248-T276 WeakPolarHBondContact CA-O 3.48Å; E248-T276 WeakPolarHBondContact CB-O 3.35Å; E248-T276 PolarHBondContact N-O 2.98Å
249V98.7Very high98.5Very high9 Ų917.3 Ų17.36%0.05510%0.104CC..THydrogen-bonded Turntrans-56.5-26.5-173.4174.20000112.7D247 T276 K279D247-V249 WeakPolarHBondContact OD1-CB 3.32Å; D247-V249 WeakPolarHBondContact OD1-CG2 3.5Å; D247-V249 PolarHBondContact OD1-N 3.19Å; V249-T276 PolarHBondContact N-O 3.28Å; V249-K279 HydrophobicContact CG1-CD 4.11Å; V249-K279 HydrophobicContact CG1-CG 3.98Å; V249-K279 WeakPolarHBondContact O-CB 3.36Å
250Q98.1Very high98.5Very high14 Ų1414.3 Ų14.37%0.0657%0.074CC..THydrogen-bonded Turntrans-100.4-27.4179-64-86.943.400114N55 E248N55-Q250 PolarHBondContact ND2-O 2.91Å; N55-Q250 VanDerWaalsContact ND2-O 3.14Å; N55-Q250 PolarHBondContact ND2-OE1 2.85Å; E248-Q250 PolarHBondContact O-N 2.91Å
251V98.4Very high98.5Very high0 Ų013.9 Ų13.90%07%0.071CC..THydrogen-bonded Turntrans-131.2-2-153-69.40000115M216 E248 R255 A262 F367M216-V251 HydrophobicContact CB-CG1 4.38Å; M216-V251 HydrophobicContact CE-CB 3.97Å; M216-V251 HydrophobicContact CE-CG1 3.58Å; E248-V251 PolarHBondContact O-N 2.91Å; V251-R255 WeakPolarHBondContact O-CB 3.46Å; V251-A262 HydrophobicContact CB-CB 3.77Å; V251-A262 HydrophobicContact CG2-CB 3.68Å; V251-F367 HydrophobicContact CG1-CD1 4.33Å; V251-F367 HydrophobicContact CG1-CD2 3.71Å; V251-F367 HydrophobicContact CG1-CE1 4.13Å; V251-F367 HydrophobicContact CG1-CE2 3.48Å; V251-F367 VanDerWaalsContact CG1-CE2 3.48Å; V251-F367 HydrophobicContact CG1-CG 4.11Å; V251-F367 HydrophobicContact CG1-CZ 3.68Å
252G98.4Very high98.5Very high0 Ų013 Ų130%06%0.061CC..  trans-77.4-169.1169.500000114E248 R255 F260E248-G252 PolarHBondContact O-N 2.88Å; E248-G252 VanDerWaalsContact OE2-CA 3.24Å; E248-G252 WeakPolarHBondContact OE2-CA 3.33Å; E248-G252 PolarHBondContact OE2-N 3Å; E248-G252 VanDerWaalsContact OE2-N 3.12Å; G252-R255 WeakPolarHBondContact O-CB 3.44Å; G252-R255 PolarHBondContact O-N 3.12Å; G252-F260 CarbonylContact C-O 3.58Å
253F98.8Very high98.5Very high1 Ų112.8 Ų12.80%0.0046%0.059CC..THydrogen-bonded Turntrans60.241.1178.2-65.4-98.2000114H58 L95 R255 F260 W261 M277 P280 I281 L325 I328H58-F253 PolarHBondContact CE1-O 2.73Å; H58-F253 PolarHBondContact NE2-O 2.76Å; L95-F253 HydrophobicContact CD1-CE1 4.3Å; L95-F253 HydrophobicContact CD1-CZ 3.99Å; F253-R255 VanDerWaalsContact C-N 3.27Å; F253-R255 PolarHBondContact O-N 2.97Å; F253-F260 HydrophobicContact CB-CE1 4.4Å; F253-F260 HydrophobicContact CB-CZ 4.27Å; F253-F260 AromaticContact CD1-CE1 3.97Å; F253-F260 HydrophobicContact CD1-CE1 3.97Å; F253-F260 AromaticContact CD1-CZ 3.72Å; F253-F260 HydrophobicContact CD1-CZ 3.72Å; F253-F260 HydrophobicContact CE1-CE1 4.39Å; F253-F260 HydrophobicContact CE1-CZ 4.32Å; F253-F260 HydrophobicContact CG-CE1 4.17Å; F253-F260 HydrophobicContact CG-CZ 4.19Å; F253-F260 PolarHBondContact N-O 3.22Å; F253-W261 AromaticContact CD2-CH2 3.94Å; F253-W261 HydrophobicContact CD2-CH2 3.94Å; F253-W261 AromaticContact CD2-CZ3 3.93Å; F253-W261 HydrophobicContact CD2-CZ3 3.93Å; F253-W261 AromaticContact CE2-CH2 3.49Å; F253-W261 HydrophobicContact CE2-CH2 3.49Å; F253-W261 VanDerWaalsContact CE2-CH2 3.49Å; F253-W261 AromaticContact CE2-CZ3 3.79Å; F253-W261 HydrophobicContact CE2-CZ3 3.79Å; F253-W261 AromaticContact CZ-CH2 3.84Å; F253-W261 HydrophobicContact CZ-CH2 3.84Å; F253-M277 HydrophobicContact CE2-CB 4.21Å; F253-M277 HydrophobicContact CE2-SD 4.18Å; F253-M277 HydrophobicContact CZ-SD 4.13Å; F253-P280 HydrophobicContact CB-CB 3.84Å; F253-P280 HydrophobicContact CD2-CB 3.68Å; F253-P280 HydrophobicContact CD2-CG 4.45Å; F253-P280 HydrophobicContact CE2-CB 4.47Å; F253-P280 HydrophobicContact CG-CB 3.81Å; F253-I281 HydrophobicContact CE1-CG1 4.42Å; F253-I281 HydrophobicContact CE2-CB 4.01Å; F253-I281 HydrophobicContact CE2-CG1 4.36Å; F253-I281 HydrophobicContact CZ-CB 3.79Å; F253-I281 HydrophobicContact CZ-CD1 4.44Å; F253-I281 HydrophobicContact CZ-CG1 3.71Å; F253-L325 HydrophobicContact CD1-CD2 4Å; F253-L325 HydrophobicContact CE1-CD2 3.77Å; F253-I328 HydrophobicContact CB-CD1 4Å; F253-I328 HydrophobicContact CD1-CD1 3.91Å; F253-I328 HydrophobicContact CG-CD1 4.45Å
254G98.7Very high98.5Very high0 Ų014.7 Ų14.70%07%0.067CC..THydrogen-bonded Turntrans78.64.4175.700000114.9V256 G257 H259 F260 M416G254-V256 PolarHBondContact O-N 2.58Å; G254-V256 VanDerWaalsContact O-N 3.12Å; G254-G257 WeakPolarHBondContact O-CA 3.47Å; G254-G257 PolarHBondContact O-N 2.97Å; G254-H259 WeakPolarHBondContact CA-O 3.42Å; G254-F260 PolarHBondContact N-O 3.36Å; G254-M416 VanDerWaalsContact C-CE 3.49Å; G254-M416 WeakPolarHBondContact O-CE 3.48Å
255R98.8Very high98.4Very high0 Ų016.5 Ų16.50%08%0.077CC..THydrogen-bonded Turntrans-51-37.7-177.8176.862.361.9-166.75113.9N55 H58 V251 G252 F253 G257 L366 F367 P414 M416N55-R255 PolarHBondContact O-NH2 3.06Å; N55-R255 VanDerWaalsContact O-NH2 3.1Å; H58-R255 PolarHBondContact ND1-NH2 2.95Å; H58-R255 VanDerWaalsContact ND1-NH2 3.19Å; V251-R255 WeakPolarHBondContact O-CB 3.46Å; G252-R255 WeakPolarHBondContact O-CB 3.44Å; G252-R255 PolarHBondContact O-N 3.12Å; F253-R255 VanDerWaalsContact C-N 3.27Å; F253-R255 PolarHBondContact O-N 2.97Å; R255-G257 VanDerWaalsContact C-N 3.29Å; R255-L366 VanDerWaalsContact CD-O 3.25Å; R255-L366 WeakPolarHBondContact CD-O 3.35Å; R255-L366 PolarHBondContact O-N 2.93Å; R255-F367 HydrophobicContact CG-CB 4.05Å; R255-P414 PolarHBondContact NH1-O 3.38Å; R255-P414 PolarHBondContact NH2-O 3.11Å; R255-M416 VanDerWaalsContact CZ-SD 3.6Å; R255-M416 PolarHBondContact NH1-SD 3.39Å
256V98.6Very high98.3Very high1 Ų117.3 Ų17.31%0.0068%0.081CC..THydrogen-bonded Turntrans-81.8-2.9179.3-62.70000113.8M216 G254 K258 H259 A262 L265 V364M216-V256 HydrophobicContact CE-CG1 3.36Å; M216-V256 HydrophobicContact SD-CG1 4.19Å; G254-V256 PolarHBondContact O-N 2.58Å; G254-V256 VanDerWaalsContact O-N 3.12Å; V256-K258 VanDerWaalsContact C-N 3.27Å; V256-K258 PolarHBondContact O-N 2.96Å; V256-H259 HydrophobicContact CG2-CB 4.18Å; V256-H259 WeakPolarHBondContact CG2-O 3.18Å; V256-A262 HydrophobicContact CG1-CB 3.69Å; V256-L265 HydrophobicContact CB-CD1 4.02Å; V256-L265 HydrophobicContact CG1-CD1 3.83Å; V256-L265 HydrophobicContact CG2-CD1 4.36Å; V256-L265 HydrophobicContact CG2-CG 4.45Å; V256-V364 HydrophobicContact CB-CB 4.41Å; V256-V364 HydrophobicContact CB-CG1 4.27Å; V256-V364 WeakPolarHBondContact O-CG1 3.47Å
257G98.3Very high97.9Very high2 Ų218.9 Ų18.92%0.02110%0.097CC..SBendtrans75.2-64.6176.800000114.3G254 R255 H259 Q334 T338G254-G257 WeakPolarHBondContact O-CA 3.47Å; G254-G257 PolarHBondContact O-N 2.97Å; R255-G257 VanDerWaalsContact C-N 3.29Å; G257-H259 PolarHBondContact O-N 3Å; G257-H259 VanDerWaalsContact O-N 3.14Å; G257-Q334 WeakPolarHBondContact CA-O 3.42Å; G257-Q334 WeakPolarHBondContact O-CG 3.5Å; G257-Q334 PolarHBondContact O-NE2 2.88Å; G257-T338 WeakPolarHBondContact CA-OG1 3.42Å; G257-T338 PolarHBondContact O-OG1 3.09Å
258K94.9Very high97.2Very high146 Ų14627.3 Ų27.364%0.63514%0.136SC*.SBendtrans-61.7-26.7-176.5-69.4-175178.1-179.10113.9V256V256-K258 VanDerWaalsContact C-N 3.27Å; V256-K258 PolarHBondContact O-N 2.96Å
259H98.4Very high96.8Very high54 Ų5434.5 Ų34.525%0.2518%0.175CC..  trans-138.3159.3-176.5-55.7-78.3000111.2G254 V256 G257 W261 Q264 Q334G254-H259 WeakPolarHBondContact CA-O 3.42Å; V256-H259 HydrophobicContact CG2-CB 4.18Å; V256-H259 WeakPolarHBondContact CG2-O 3.18Å; G257-H259 PolarHBondContact O-N 3Å; G257-H259 VanDerWaalsContact O-N 3.14Å; H259-W261 WeakPolarHBondContact CB-O 3.44Å; H259-Q264 HydrophobicContact CB-CB 3.74Å; H259-Q264 HydrophobicContact CB-CG 4.46Å; H259-Q334 VanDerWaalsContact C-NE2 3.31Å
260F98.6Very high96.8Very high28 Ų2834.2 Ų34.212%0.12317%0.173CC..SBendtrans-77.7-31.1176.9-163.6-85.7000111.8T98 G252 F253 G254 L325 I328T98-F260 HydrophobicContact CG2-CD1 4.19Å; T98-F260 HydrophobicContact CG2-CE1 3.99Å; T98-F260 HydrophobicContact CG2-CE2 4.38Å; T98-F260 HydrophobicContact CG2-CG 4.46Å; T98-F260 HydrophobicContact CG2-CZ 4.09Å; G252-F260 CarbonylContact C-O 3.58Å; F253-F260 HydrophobicContact CB-CE1 4.4Å; F253-F260 HydrophobicContact CB-CZ 4.27Å; F253-F260 AromaticContact CD1-CE1 3.97Å; F253-F260 HydrophobicContact CD1-CE1 3.97Å; F253-F260 AromaticContact CD1-CZ 3.72Å; F253-F260 HydrophobicContact CD1-CZ 3.72Å; F253-F260 HydrophobicContact CE1-CE1 4.39Å; F253-F260 HydrophobicContact CE1-CZ 4.32Å; F253-F260 HydrophobicContact CG-CE1 4.17Å; F253-F260 HydrophobicContact CG-CZ 4.19Å; F253-F260 PolarHBondContact N-O 3.22Å; G254-F260 PolarHBondContact N-O 3.36Å; F260-L325 HydrophobicContact CE1-CD2 4.47Å; F260-L325 HydrophobicContact CE2-CD2 4.43Å; F260-L325 HydrophobicContact CZ-CD2 3.63Å; F260-I328 HydrophobicContact CE2-CG2 4.1Å
261W98.8Very high96.8Very high0 Ų035.1 Ų35.10%018%0.179CC..SBendtrans-118.7139.4174.9-56.1101.8000110.7L95 T98 L99 E248 F253 H259 F263 Q264 M277L95-W261 HydrophobicContact CD1-CH2 4.19Å; L95-W261 HydrophobicContact CD1-CZ2 4Å; T98-W261 PolarHBondContact O-NE1 3.17Å; T98-W261 WeakPolarHBondContact OG1-CZ2 3.42Å; T98-W261 PolarHBondContact OG1-NE1 3.23Å; L99-W261 VanDerWaalsContact CD2-CD1 3.49Å; L99-W261 HydrophobicContact CD2-CD2 4.04Å; L99-W261 HydrophobicContact CD2-CG 3.96Å; L99-W261 HydrophobicContact CD2-CZ2 4.32Å; L99-W261 HydrophobicContact CG-CZ2 4.32Å; E248-W261 HydrophobicContact CB-CE3 3.75Å; E248-W261 HydrophobicContact CB-CZ3 3.97Å; E248-W261 HydrophobicContact CG-CE3 3.74Å; E248-W261 HydrophobicContact CG-CZ3 4.42Å; F253-W261 AromaticContact CD2-CH2 3.94Å; F253-W261 HydrophobicContact CD2-CH2 3.94Å; F253-W261 AromaticContact CD2-CZ3 3.93Å; F253-W261 HydrophobicContact CD2-CZ3 3.93Å; F253-W261 AromaticContact CE2-CH2 3.49Å; F253-W261 HydrophobicContact CE2-CH2 3.49Å; F253-W261 VanDerWaalsContact CE2-CH2 3.49Å; F253-W261 AromaticContact CE2-CZ3 3.79Å; F253-W261 HydrophobicContact CE2-CZ3 3.79Å; F253-W261 AromaticContact CZ-CH2 3.84Å; F253-W261 HydrophobicContact CZ-CH2 3.84Å; H259-W261 WeakPolarHBondContact CB-O 3.44Å; W261-F263 VanDerWaalsContact C-N 3.3Å; W261-F263 HydrophobicContact CB-CD1 3.55Å; W261-F263 HydrophobicContact CB-CE1 3.34Å; W261-F263 HydrophobicContact CB-CG 4.39Å; W261-F263 HydrophobicContact CB-CZ 4.05Å; W261-F263 HydrophobicContact CG-CD1 4.35Å; W261-F263 AromaticContact CG-CE1 3.72Å; W261-F263 HydrophobicContact CG-CE1 3.72Å; W261-F263 HydrophobicContact CG-CZ 4.36Å; W261-F263 PolarHBondContact O-N 3.14Å; W261-Q264 HydrophobicContact CB-CG 4.19Å; W261-Q264 WeakPolarHBondContact O-CB 3.41Å; W261-Q264 PolarHBondContact O-N 2.75Å; W261-Q264 PolarHBondContact O-OE1 3.31Å; W261-M277 HydrophobicContact CH2-CB 4.35Å; W261-M277 HydrophobicContact CH2-CE 3.27Å; W261-M277 HydrophobicContact CH2-SD 3.5Å; W261-M277 VanDerWaalsContact CH2-SD 3.5Å; W261-M277 HydrophobicContact CZ2-CE 3.75Å; W261-M277 HydrophobicContact CZ2-SD 4.29Å; W261-M277 HydrophobicContact CZ3-CB 4.12Å; W261-M277 HydrophobicContact CZ3-CE 3.8Å; W261-M277 HydrophobicContact CZ3-SD 4.2Å
262A98.6Very high96.8Very high2 Ų235.1 Ų35.12%0.01718%0.179CC..G310 helixtrans-68.2-28.9-175.100000113.1M216 E248 V251 V256 Q264 L265M216-A262 HydrophobicContact CE-CB 4.32Å; E248-A262 VanDerWaalsContact CD-N 3.33Å; E248-A262 PolarHBondContact OE1-N 2.94Å; E248-A262 VanDerWaalsContact OE1-N 3.13Å; E248-A262 WeakPolarHBondContact OE2-CB 3.24Å; E248-A262 PolarHBondContact OE2-N 3.22Å; V251-A262 HydrophobicContact CB-CB 3.77Å; V251-A262 HydrophobicContact CG2-CB 3.68Å; V256-A262 HydrophobicContact CG1-CB 3.69Å; A262-Q264 PolarHBondContact O-N 3.03Å; A262-Q264 VanDerWaalsContact O-N 3.16Å; A262-L265 VanDerWaalsContact O-CB 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.36Å; A262-L265 WeakPolarHBondContact O-CG 3.44Å; A262-L265 PolarHBondContact O-N 3.02Å; A262-L265 VanDerWaalsContact O-N 3.07Å
263F98.7Very high96.8Very high1 Ų135.8 Ų35.80%0.00418%0.183CC..G310 helixtrans-57.4-29.5175.973.6-105.9000112.9L99 P100 A246 E248 W261 L265 Q266 F270 P272 V275L99-F263 HydrophobicContact CD2-CE1 3.9Å; L99-F263 HydrophobicContact CD2-CZ 4Å; P100-F263 HydrophobicContact CG-CE2 4.19Å; P100-F263 HydrophobicContact CG-CZ 4.2Å; A246-F263 HydrophobicContact CB-CB 4.4Å; A246-F263 HydrophobicContact CB-CD1 4.46Å; E248-F263 HydrophobicContact CG-CD1 4.17Å; E248-F263 WeakPolarHBondContact OE1-CD1 3.09Å; E248-F263 PolarHBondContact OE1-N 3.44Å; W261-F263 VanDerWaalsContact C-N 3.3Å; W261-F263 HydrophobicContact CB-CD1 3.55Å; W261-F263 HydrophobicContact CB-CE1 3.34Å; W261-F263 HydrophobicContact CB-CG 4.39Å; W261-F263 HydrophobicContact CB-CZ 4.05Å; W261-F263 HydrophobicContact CG-CD1 4.35Å; W261-F263 AromaticContact CG-CE1 3.72Å; W261-F263 HydrophobicContact CG-CE1 3.72Å; W261-F263 HydrophobicContact CG-CZ 4.36Å; W261-F263 PolarHBondContact O-N 3.14Å; F263-L265 PolarHBondContact O-N 3.13Å; F263-L265 VanDerWaalsContact O-N 3.12Å; F263-Q266 WeakPolarHBondContact O-CB 3.38Å; F263-Q266 PolarHBondContact O-N 2.78Å; F263-F270 HydrophobicContact CB-CD1 4.25Å; F263-F270 HydrophobicContact CB-CE1 4Å; F263-F270 HydrophobicContact CD2-CD1 4.19Å; F263-F270 HydrophobicContact CD2-CE1 4.47Å; F263-P272 HydrophobicContact CD1-CG 4.09Å; F263-P272 HydrophobicContact CD2-CG 4.17Å; F263-P272 HydrophobicContact CE1-CG 4.18Å; F263-P272 HydrophobicContact CE2-CG 4.26Å; F263-P272 HydrophobicContact CG-CG 4.11Å; F263-P272 HydrophobicContact CZ-CG 4.27Å; F263-V275 HydrophobicContact CD1-CG2 4.4Å; F263-V275 HydrophobicContact CE1-CG2 3.92Å
264Q98.3Very high96.9Very high44 Ų4435.7 Ų35.721%0.20618%0.183CC..G310 helixtrans-64.9-15.6179.7-57.9177.5-70.800112.6H259 W261 A262 Q266 G267H259-Q264 HydrophobicContact CB-CB 3.74Å; H259-Q264 HydrophobicContact CB-CG 4.46Å; W261-Q264 HydrophobicContact CB-CG 4.19Å; W261-Q264 WeakPolarHBondContact O-CB 3.41Å; W261-Q264 PolarHBondContact O-N 2.75Å; W261-Q264 PolarHBondContact O-OE1 3.31Å; A262-Q264 PolarHBondContact O-N 3.03Å; A262-Q264 VanDerWaalsContact O-N 3.16Å; Q264-Q266 PolarHBondContact O-N 3.34Å; Q264-G267 PolarHBondContact O-N 2.92Å
265L97.4Very high96.9Very high38 Ų3835.7 Ų35.720%0.19918%0.183CC..G310 helixtrans-64.4-13.7170.8-67.6170.3000113.8M216 V256 A262 F263 G267 V364M216-L265 HydrophobicContact SD-CD1 4.21Å; V256-L265 HydrophobicContact CB-CD1 4.02Å; V256-L265 HydrophobicContact CG1-CD1 3.83Å; V256-L265 HydrophobicContact CG2-CD1 4.36Å; V256-L265 HydrophobicContact CG2-CG 4.45Å; A262-L265 VanDerWaalsContact O-CB 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.36Å; A262-L265 WeakPolarHBondContact O-CG 3.44Å; A262-L265 PolarHBondContact O-N 3.02Å; A262-L265 VanDerWaalsContact O-N 3.07Å; F263-L265 PolarHBondContact O-N 3.13Å; F263-L265 VanDerWaalsContact O-N 3.12Å; L265-G267 VanDerWaalsContact C-N 3.34Å; L265-V364 HydrophobicContact CD1-CB 4.27Å; L265-V364 HydrophobicContact CD1-CG1 4.33Å; L265-V364 HydrophobicContact CD1-CG2 4.1Å; L265-V364 HydrophobicContact CD2-CG1 4.11Å
266Q97.4Very high96.9Very high17 Ų1735.7 Ų35.78%0.07918%0.183CC..G310 helixtrans-82-12176.2-66-73.6-63.800113.6P225 P226 F230 F263 Q264 F270P225-Q266 PolarHBondContact O-NE2 2.83Å; P226-Q266 PolarHBondContact O-NE2 2.94Å; P226-Q266 PolarHBondContact O-OE1 2.61Å; F230-Q266 HydrophobicContact CB-CG 4.05Å; F230-Q266 HydrophobicContact CD2-CG 3.7Å; F230-Q266 HydrophobicContact CG-CG 4.29Å; F263-Q266 WeakPolarHBondContact O-CB 3.38Å; F263-Q266 PolarHBondContact O-N 2.78Å; Q264-Q266 PolarHBondContact O-N 3.34Å; Q266-F270 HydrophobicContact CB-CB 3.93Å; Q266-F270 HydrophobicContact CB-CD1 3.81Å; Q266-F270 HydrophobicContact CB-CG 3.96Å; Q266-F270 HydrophobicContact CG-CD1 4.12Å
267G90.5Very high96.9Very high34 Ų3435.7 Ų35.735%0.35118%0.182SC..  trans128.9157.6-174.700000111.9Q264 L265 D269 F270Q264-G267 PolarHBondContact O-N 2.92Å; L265-G267 VanDerWaalsContact C-N 3.34Å; G267-D269 VanDerWaalsContact C-N 3.3Å; G267-D269 PolarHBondContact O-N 3.35Å; G267-F270 PolarHBondContact O-N 2.7Å
268E83.3Confident96.8Very high181 Ų18135.6 Ų35.685%0.84618%0.182SC*.THydrogen-bonded Turntrans-67.7-30.3-178.3-61.1-173.2159.600112.6F270E268-F270 VanDerWaalsContact C-N 3.32Å; E268-F270 PolarHBondContact O-N 2.83Å
269D91.8Very high96.8Very high152 Ų15232.1 Ų32.181%0.81317%0.167SC*.THydrogen-bonded Turntrans-75.1-16.9177.4-58.3-53.7000113.5G267 V271G267-D269 VanDerWaalsContact C-N 3.3Å; G267-D269 PolarHBondContact O-N 3.35Å; D269-V271 PolarHBondContact O-N 2.99Å
270F97.8Very high96.7Very high4 Ų429.6 Ų29.62%0.01816%0.155CC..  trans-79.5109.6-178.7-179.9-110.7000111.2F230 Q231 A234 F244 F263 Q266 G267 E268F230-F270 HydrophobicContact CB-CD1 4.44Å; F230-F270 HydrophobicContact CB-CD2 4.39Å; F230-F270 HydrophobicContact CB-CE1 3.84Å; F230-F270 HydrophobicContact CB-CE2 3.79Å; F230-F270 HydrophobicContact CB-CZ 3.5Å; F230-F270 VanDerWaalsContact CB-CZ 3.5Å; F230-F270 HydrophobicContact CD2-CE1 4.33Å; F230-F270 HydrophobicContact CG-CE1 4.5Å; F230-F270 HydrophobicContact CG-CZ 4.37Å; F230-F270 WeakPolarHBondContact O-CE2 3.45Å; Q231-F270 HydrophobicContact CB-CD2 4.22Å; A234-F270 HydrophobicContact CB-CE2 3.95Å; F244-F270 HydrophobicContact CD1-CZ 4Å; F244-F270 HydrophobicContact CD2-CE2 4.42Å; F244-F270 HydrophobicContact CD2-CZ 4.15Å; F244-F270 HydrophobicContact CE1-CE1 4.43Å; F244-F270 AromaticContact CE1-CZ 3.8Å; F244-F270 HydrophobicContact CE1-CZ 3.8Å; F244-F270 HydrophobicContact CE2-CE2 4.41Å; F244-F270 AromaticContact CE2-CZ 3.93Å; F244-F270 HydrophobicContact CE2-CZ 3.93Å; F244-F270 HydrophobicContact CG-CZ 4.19Å; F244-F270 AromaticContact CZ-CZ 3.76Å; F244-F270 HydrophobicContact CZ-CZ 3.76Å; F263-F270 HydrophobicContact CB-CD1 4.25Å; F263-F270 HydrophobicContact CB-CE1 4Å; F263-F270 HydrophobicContact CD2-CD1 4.19Å; F263-F270 HydrophobicContact CD2-CE1 4.47Å; Q266-F270 HydrophobicContact CB-CB 3.93Å; Q266-F270 HydrophobicContact CB-CD1 3.81Å; Q266-F270 HydrophobicContact CB-CG 3.96Å; Q266-F270 HydrophobicContact CG-CD1 4.12Å; G267-F270 PolarHBondContact O-N 2.7Å; E268-F270 VanDerWaalsContact C-N 3.32Å; E268-F270 PolarHBondContact O-N 2.83Å
271V98.4Very high96.7Very high32 Ų3228.2 Ų28.219%0.19415%0.149CC..  trans-128113.8177.6-164.60000111.6P100 K102 L103 D269P100-V271 HydrophobicContact CB-CB 4.43Å; P100-V271 HydrophobicContact CB-CG1 3.58Å; P100-V271 HydrophobicContact CB-CG2 3.88Å; P100-V271 HydrophobicContact CG-CG1 3.84Å; P100-V271 HydrophobicContact CG-CG2 4.07Å; K102-V271 HydrophobicContact CD-CG1 4.16Å; K102-V271 WeakPolarHBondContact CE-O 3.19Å; K102-V271 HydrophobicContact CG-CG1 3.98Å; K102-V271 PolarHBondContact NZ-O 3.33Å; L103-V271 HydrophobicContact CD1-CG1 3.9Å; L103-V271 HydrophobicContact CG-CG1 4.34Å; D269-V271 PolarHBondContact O-N 2.99Å
272P98.8Very high96.7Very high0 Ų028.3 Ų28.30%015%0.15CC..  trans-66.7165.5173.831.7-37.1000111.3K102 L103 F244 A246 F263 V275K102-P272 WeakPolarHBondContact CE-O 3.49Å; K102-P272 PolarHBondContact NZ-O 3.16Å; L103-P272 HydrophobicContact CD1-CG 4.27Å; F244-P272 HydrophobicContact CD1-CB 3.7Å; F244-P272 HydrophobicContact CE1-CB 4.41Å; F244-P272 HydrophobicContact CG-CB 4.49Å; A246-P272 HydrophobicContact CB-CB 3.76Å; A246-P272 HydrophobicContact CB-CG 3.76Å; F263-P272 HydrophobicContact CD1-CG 4.09Å; F263-P272 HydrophobicContact CD2-CG 4.17Å; F263-P272 HydrophobicContact CE1-CG 4.18Å; F263-P272 HydrophobicContact CE2-CG 4.26Å; F263-P272 HydrophobicContact CG-CG 4.11Å; F263-P272 HydrophobicContact CZ-CG 4.27Å; P272-V275 HydrophobicContact CB-CG2 4.49Å; P272-V275 HydrophobicContact CG-CG2 3.57Å
273D98.9Very high96.7Very high14 Ų1429.2 Ų29.28%0.07516%0.155CC..SBendtrans-96.9-24-178.7-46.2-59000112.3K102 L103 H238 V243 F244 T292 T293 I296K102-D273 IonicContact NZ-OD1 2.73Å; K102-D273 PolarHBondContact NZ-OD1 2.8Å; L103-D273 WeakPolarHBondContact CD2-O 3.36Å; H238-D273 IonicContact CD2-OD2 3.8Å; H238-D273 IonicContact CE1-OD1 3.88Å; H238-D273 IonicContact CE1-OD2 2.82Å; H238-D273 IonicContact NE2-OD1 2.83Å; H238-D273 PolarHBondContact NE2-OD1 3.14Å; H238-D273 IonicContact NE2-OD2 3.77Å; H238-D273 PolarHBondContact NE2-OD2 2.82Å; V243-D273 HydrophobicContact CB-CB 4.03Å; V243-D273 HydrophobicContact CG1-CB 4.31Å; F244-D273 PolarHBondContact N-OD2 2.84Å; F244-D273 PolarHBondContact O-N 3.05Å; D273-T292 WeakPolarHBondContact O-CA 3.33Å; D273-T292 PolarHBondContact O-OG1 2.68Å; D273-T293 PolarHBondContact O-N 2.9Å; D273-I296 HydrophobicContact CB-CD1 3.73Å
274I98.9Very high96.5Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-134130.8172.5-48.6-174.7000108.4A119 L122 A123 V243 F244 I245 A246 T276 V290 V291 I296A119-I274 HydrophobicContact CB-CG2 3.8Å; L122-I274 HydrophobicContact CB-CD1 3.86Å; A123-I274 HydrophobicContact CB-CD1 4.27Å; V243-I274 HydrophobicContact CG2-CD1 4.18Å; F244-I274 PolarHBondContact O-N 3.44Å; F244-I274 VanDerWaalsContact O-N 3.12Å; I245-I274 CarbonylContact C-O 3.56Å; I245-I274 WeakPolarHBondContact CA-O 3.39Å; I245-I274 HydrophobicContact CB-CB 4.48Å; I245-I274 HydrophobicContact CD1-CD1 4.49Å; I245-I274 HydrophobicContact CG1-CB 4.16Å; I245-I274 HydrophobicContact CG1-CD1 4.21Å; I245-I274 HydrophobicContact CG1-CG1 4.46Å; I245-I274 HydrophobicContact CG2-CB 4.28Å; I245-I274 HydrophobicContact CG2-CG2 4.36Å; A246-I274 PolarHBondContact N-O 3.15Å; I274-T276 HydrophobicContact CG2-CG2 4.44Å; I274-V290 HydrophobicContact CG2-CG1 3.34Å; I274-V291 CarbonylContact C-O 3.48Å; I274-V291 WeakPolarHBondContact CA-O 3.36Å; I274-I296 HydrophobicContact CD1-CG2 4.39Å; I274-I296 HydrophobicContact CG1-CD1 4.22Å
275V98.9Very high96.5Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-115.3126.9170.6179.80000108.6L99 L103 A246 E248 F263 P272 M277 V290 V291L99-V275 HydrophobicContact CD2-CG2 4.26Å; L103-V275 HydrophobicContact CD1-CG2 3.68Å; L103-V275 HydrophobicContact CD2-CG2 4.43Å; A246-V275 HydrophobicContact CB-CG2 4.48Å; A246-V275 WeakPolarHBondContact O-CA 3.37Å; E248-V275 HydrophobicContact CB-CG1 4.07Å; E248-V275 HydrophobicContact CG-CG1 3.72Å; F263-V275 HydrophobicContact CD1-CG2 4.4Å; F263-V275 HydrophobicContact CE1-CG2 3.92Å; P272-V275 HydrophobicContact CB-CG2 4.49Å; P272-V275 HydrophobicContact CG-CG2 3.57Å; V275-M277 HydrophobicContact CG1-CE 3.9Å; V275-V290 CarbonylContact O-C 3.53Å; V275-V290 WeakPolarHBondContact O-CA 3.44Å; V275-V291 PolarHBondContact N-O 3.44Å; V275-V291 PolarHBondContact O-N 2.95Å
276T98.9Very high96.5Very high0 Ų034.5 Ų34.50%020%0.197CC..EExtended strand (participates in β ladder)trans-107.6141.2173.168.70000110.6N116 A119 I245 A246 D247 E248 V249 I274 V290N116-T276 VanDerWaalsContact OD1-CB 3.27Å; N116-T276 WeakPolarHBondContact OD1-CB 3.38Å; N116-T276 VanDerWaalsContact OD1-CG2 3.27Å; N116-T276 WeakPolarHBondContact OD1-CG2 3.5Å; N116-T276 PolarHBondContact OD1-OG1 3.18Å; A119-T276 HydrophobicContact CB-CG2 3.47Å; A119-T276 VanDerWaalsContact CB-CG2 3.47Å; I245-T276 HydrophobicContact CG2-CG2 4.1Å; A246-T276 PolarHBondContact O-N 2.88Å; D247-T276 WeakPolarHBondContact CA-OG1 3.41Å; E248-T276 CarbonylContact C-O 3.45Å; E248-T276 WeakPolarHBondContact CA-O 3.48Å; E248-T276 WeakPolarHBondContact CB-O 3.35Å; E248-T276 PolarHBondContact N-O 2.98Å; V249-T276 PolarHBondContact N-O 3.28Å; I274-T276 HydrophobicContact CG2-CG2 4.44Å; T276-V290 HydrophobicContact CG2-CG1 4.37Å; T276-V290 HydrophobicContact CG2-CG2 4.28Å
277M98.4Very high96.5Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-148.4151-173.658.6-17775.800111.1L95 L99 F253 W261 V275 I281 S288 C289 V291L95-M277 HydrophobicContact CD1-CE 4.43Å; L95-M277 HydrophobicContact CD1-SD 3.77Å; L95-M277 HydrophobicContact CD2-SD 3.72Å; L95-M277 HydrophobicContact CG-SD 4.13Å; L99-M277 HydrophobicContact CD1-CE 4.36Å; F253-M277 HydrophobicContact CE2-CB 4.21Å; F253-M277 HydrophobicContact CE2-SD 4.18Å; F253-M277 HydrophobicContact CZ-SD 4.13Å; W261-M277 HydrophobicContact CH2-CB 4.35Å; W261-M277 HydrophobicContact CH2-CE 3.27Å; W261-M277 HydrophobicContact CH2-SD 3.5Å; W261-M277 VanDerWaalsContact CH2-SD 3.5Å; W261-M277 HydrophobicContact CZ2-CE 3.75Å; W261-M277 HydrophobicContact CZ2-SD 4.29Å; W261-M277 HydrophobicContact CZ3-CB 4.12Å; W261-M277 HydrophobicContact CZ3-CE 3.8Å; W261-M277 HydrophobicContact CZ3-SD 4.2Å; V275-M277 HydrophobicContact CG1-CE 3.9Å; M277-I281 HydrophobicContact CG-CD1 4.2Å; M277-I281 HydrophobicContact SD-CD1 4.28Å; M277-S288 CarbonylContact O-C 3.49Å; M277-S288 VanDerWaalsContact O-CA 3.24Å; M277-S288 WeakPolarHBondContact O-CA 3.32Å; M277-S288 WeakPolarHBondContact O-CB 3.37Å; M277-S288 PolarHBondContact O-OG 2.86Å; M277-C289 HydrophobicContact CG-CB 3.68Å; M277-C289 VanDerWaalsContact CG-O 3.32Å; M277-C289 WeakPolarHBondContact CG-O 3.3Å; M277-C289 PolarHBondContact N-O 2.9Å; M277-C289 PolarHBondContact O-N 3.39Å; M277-C289 HydrophobicContact SD-CB 3.9Å; M277-V291 HydrophobicContact CE-CB 4.5Å; M277-V291 HydrophobicContact CE-CG2 3.72Å
278G96.9Very high96.9Very high1 Ų132.3 Ų32.31%0.0118%0.177CC..  trans-161.2-147-176.700000110.3P280 I281 S288G278-P280 WeakPolarHBondContact O-CD 3.38Å; G278-I281 VanDerWaalsContact C-CG2 3.46Å; G278-I281 WeakPolarHBondContact O-CB 3.15Å; G278-I281 WeakPolarHBondContact O-CG2 3.46Å; G278-I281 PolarHBondContact O-N 3.48Å; G278-S288 WeakPolarHBondContact CA-OG 3.35Å
279K95.5Very high97.6Very high73 Ų7323.7 Ų23.732%0.31714%0.137SC..G310 helixtrans36.9-87170.5-61.5-178.7-166.4-172.70114.9V56 V249 I281V56-K279 HydrophobicContact CB-CB 4.29Å; V56-K279 HydrophobicContact CG2-CB 3.85Å; V56-K279 HydrophobicContact CG2-CG 4.19Å; V249-K279 HydrophobicContact CG1-CD 4.11Å; V249-K279 HydrophobicContact CG1-CG 3.98Å; V249-K279 WeakPolarHBondContact O-CB 3.36Å; K279-I281 PolarHBondContact O-N 3.01Å
280P96.6Very high97.9Very high0 Ų016.4 Ų16.40%010%0.098CC..G310 helixtrans-43.1-41.8169.8-34.136.6000116.8H58 F253 G278 G282 N283H58-P280 HydrophobicContact CB-CB 3.79Å; H58-P280 HydrophobicContact CB-CG 4.22Å; F253-P280 HydrophobicContact CB-CB 3.84Å; F253-P280 HydrophobicContact CD2-CB 3.68Å; F253-P280 HydrophobicContact CD2-CG 4.45Å; F253-P280 HydrophobicContact CE2-CB 4.47Å; F253-P280 HydrophobicContact CG-CB 3.81Å; G278-P280 WeakPolarHBondContact O-CD 3.38Å; P280-G282 PolarHBondContact O-N 2.88Å; P280-N283 PolarHBondContact O-N 3.41Å
281I98.3Very high98Very high0 Ų016.2 Ų16.20%010%0.098CC..G310 helixtrans-48.1-35.2-169.2-165.9175.5000114.6Y91 F253 M277 G278 K279 M287 C289Y91-I281 HydrophobicContact CE1-CD1 4.3Å; Y91-I281 HydrophobicContact CE1-CG1 4.32Å; Y91-I281 WeakPolarHBondContact OH-CG1 2.97Å; F253-I281 HydrophobicContact CE1-CG1 4.42Å; F253-I281 HydrophobicContact CE2-CB 4.01Å; F253-I281 HydrophobicContact CE2-CG1 4.36Å; F253-I281 HydrophobicContact CZ-CB 3.79Å; F253-I281 HydrophobicContact CZ-CD1 4.44Å; F253-I281 HydrophobicContact CZ-CG1 3.71Å; M277-I281 HydrophobicContact CG-CD1 4.2Å; M277-I281 HydrophobicContact SD-CD1 4.28Å; G278-I281 VanDerWaalsContact C-CG2 3.46Å; G278-I281 WeakPolarHBondContact O-CB 3.15Å; G278-I281 WeakPolarHBondContact O-CG2 3.46Å; G278-I281 PolarHBondContact O-N 3.48Å; K279-I281 PolarHBondContact O-N 3.01Å; I281-M287 HydrophobicContact CD1-CG 4.27Å; I281-M287 HydrophobicContact CD1-SD 4.39Å; I281-M287 HydrophobicContact CG1-SD 4.35Å; I281-M287 HydrophobicContact CG2-CB 4.11Å; I281-M287 HydrophobicContact CG2-CG 4.43Å; I281-M287 WeakPolarHBondContact CG2-O 3.49Å; I281-C289 HydrophobicContact CD1-CB 3.81Å
282G97.9Very high98Very high2 Ų214.7 Ų14.72%0.0219%0.088CC..G310 helixtrans-118.512.7-17900000114.5P280 G284 H285 I320P280-G282 PolarHBondContact O-N 2.88Å; G282-G284 PolarHBondContact O-N 3.41Å; G282-G284 VanDerWaalsContact O-N 3.15Å; G282-H285 WeakPolarHBondContact O-CB 3.17Å; G282-H285 PolarHBondContact O-N 2.59Å; G282-I320 WeakPolarHBondContact O-CG2 3.11Å
283N98.4Very high98Very high21 Ų2115.4 Ų15.411%0.1129%0.092CC..THydrogen-bonded Turntrans49.836-172.8-162.544.4000114.1V56 A57 H58 V59 G60 P280 V324V56-N283 CarbonylContact O-C 3.6Å; V56-N283 WeakPolarHBondContact O-CA 3.47Å; A57-N283 WeakPolarHBondContact CA-OD1 3.46Å; H58-N283 PolarHBondContact N-OD1 3.24Å; V59-N283 HydrophobicContact CG2-CB 4.1Å; V59-N283 VanDerWaalsContact CG2-CG 3.48Å; V59-N283 WeakPolarHBondContact CG2-ND2 3.23Å; V59-N283 PolarHBondContact N-OD1 2.82Å; G60-N283 PolarHBondContact O-ND2 3.29Å; P280-N283 PolarHBondContact O-N 3.41Å; N283-V324 HydrophobicContact CB-CG2 3.78Å
284G94.8Very high98Very high43 Ų4321.9 Ų21.944%0.44312%0.116SC..THydrogen-bonded Turntrans101.6-17.3-174.200000115.6V56 G282V56-G284 PolarHBondContact O-N 3.11Å; V56-G284 VanDerWaalsContact O-N 3.12Å; G282-G284 PolarHBondContact O-N 3.41Å; G282-G284 VanDerWaalsContact O-N 3.15Å
285H98.1Very high98Very high66 Ų6627.8 Ų27.831%0.30614%0.143SC..SBendtrans-65.7140.1170.2-175.873.5000111.1G282 M287 S317 I320G282-H285 WeakPolarHBondContact O-CB 3.17Å; G282-H285 PolarHBondContact O-N 2.59Å; H285-M287 PolarHBondContact O-N 3.3Å; H285-S317 PolarHBondContact CD2-OG 3.07Å; H285-S317 VanDerWaalsContact CD2-OG 3.23Å; H285-S317 PolarHBondContact NE2-OG 2.82Å; H285-I320 HydrophobicContact CB-CD1 3.98Å; H285-I320 HydrophobicContact CB-CG2 4.07Å; H285-I320 VanDerWaalsContact CG-CD1 3.49Å
286P97.9Very high97.9Very high84 Ų8427.9 Ų27.955%0.54514%0.144SC..SBendtrans-61.197.8175.8-24.936.1000112.8N110 S317N110-P286 CarbonylContact O-C 3.58Å; P286-S317 PolarHBondContact O-OG 2.75Å
287M96.7Very high97.9Very high4 Ų428.4 Ų28.42%0.0215%0.149CC..  trans-155.6151172.5-170.2-178-159.100108.6Y91 F108 V109 N110 I281 H285Y91-M287 HydrophobicContact CD1-CE 3.62Å; Y91-M287 HydrophobicContact CE1-CE 3.47Å; Y91-M287 VanDerWaalsContact CE1-CE 3.47Å; Y91-M287 HydrophobicContact CE1-SD 3.95Å; F108-M287 HydrophobicContact CD1-CE 3.69Å; F108-M287 HydrophobicContact CE1-CE 3.94Å; F108-M287 HydrophobicContact CG-CE 4.42Å; V109-M287 CarbonylContact O-C 3.46Å; N110-M287 PolarHBondContact O-N 3.19Å; I281-M287 HydrophobicContact CD1-CG 4.27Å; I281-M287 HydrophobicContact CD1-SD 4.39Å; I281-M287 HydrophobicContact CG1-SD 4.35Å; I281-M287 HydrophobicContact CG2-CB 4.11Å; I281-M287 HydrophobicContact CG2-CG 4.43Å; I281-M287 WeakPolarHBondContact CG2-O 3.49Å; H285-M287 PolarHBondContact O-N 3.3Å
288S98.4Very high97.9Very high1 Ų134.3 Ų34.31%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-160164.2173.5-71.50000109.2V109 S111 G112 M277 G278V109-S288 PolarHBondContact N-O 3.06Å; V109-S288 PolarHBondContact O-N 3.41Å; S111-S288 WeakPolarHBondContact CA-OG 3.42Å; S111-S288 WeakPolarHBondContact O-CB 3.41Å; S111-S288 PolarHBondContact O-OG 3.19Å; G112-S288 PolarHBondContact N-OG 3.05Å; M277-S288 CarbonylContact O-C 3.49Å; M277-S288 VanDerWaalsContact O-CA 3.24Å; M277-S288 WeakPolarHBondContact O-CA 3.32Å; M277-S288 WeakPolarHBondContact O-CB 3.37Å; M277-S288 PolarHBondContact O-OG 2.86Å; G278-S288 WeakPolarHBondContact CA-OG 3.35Å
289C98.6Very high97.9Very high0 Ų035.6 Ų35.60%019%0.187CC..EExtended strand (participates in β ladder)trans-142.4152.8-179.4-170.80000110.6L95 Y107 F108 M277 I281L95-C289 HydrophobicContact CD2-CB 4.18Å; Y107-C289 CarbonylContact O-C 3.52Å; Y107-C289 VanDerWaalsContact O-CA 3.29Å; Y107-C289 WeakPolarHBondContact O-CA 3.32Å; Y107-C289 PolarHBondContact O-SG 3.25Å; F108-C289 HydrophobicContact CD1-CB 3.8Å; F108-C289 HydrophobicContact CE1-CB 3.93Å; F108-C289 VanDerWaalsContact CE1-SG 3.58Å; M277-C289 HydrophobicContact CG-CB 3.68Å; M277-C289 VanDerWaalsContact CG-O 3.32Å; M277-C289 WeakPolarHBondContact CG-O 3.3Å; M277-C289 PolarHBondContact N-O 2.9Å; M277-C289 PolarHBondContact O-N 3.39Å; M277-C289 HydrophobicContact SD-CB 3.9Å; I281-C289 HydrophobicContact CD1-CB 3.81Å
290V98.9Very high98Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-115.2125.8161.5-173.90000106.8C106 Y107 A115 L118 A119 L122 I274 V275 T276C106-V290 CarbonylContact C-O 3.48Å; C106-V290 WeakPolarHBondContact CA-O 3.3Å; Y107-V290 PolarHBondContact N-O 3Å; Y107-V290 PolarHBondContact O-N 3.02Å; A115-V290 HydrophobicContact CB-CG2 3.77Å; A115-V290 WeakPolarHBondContact O-CG2 3.38Å; L118-V290 HydrophobicContact CB-CG2 4.14Å; L118-V290 HydrophobicContact CD2-CB 4.48Å; L118-V290 HydrophobicContact CD2-CG2 4.07Å; L118-V290 HydrophobicContact CG-CG2 4.27Å; A119-V290 HydrophobicContact CB-CG1 4.36Å; L122-V290 HydrophobicContact CD1-CG1 3.75Å; I274-V290 HydrophobicContact CG2-CG1 3.34Å; V275-V290 CarbonylContact O-C 3.53Å; V275-V290 WeakPolarHBondContact O-CA 3.44Å; T276-V290 HydrophobicContact CG2-CG1 4.37Å; T276-V290 HydrophobicContact CG2-CG2 4.28Å
291V98.9Very high97.9Very high0 Ų034.7 Ų34.70%020%0.197CC..EExtended strand (participates in β ladder)trans-110.7133.9170.4-1710000108.7L95 T96 L99 L103 V105 I274 V275 M277L95-V291 HydrophobicContact CD2-CG2 4.3Å; T96-V291 HydrophobicContact CG2-CG1 4.11Å; L99-V291 HydrophobicContact CD1-CB 3.76Å; L99-V291 HydrophobicContact CD1-CG1 3.64Å; L99-V291 HydrophobicContact CD1-CG2 3.82Å; L103-V291 HydrophobicContact CB-CG1 4.03Å; L103-V291 WeakPolarHBondContact O-CG1 3.41Å; V105-V291 VanDerWaalsContact O-CA 3.31Å; V105-V291 WeakPolarHBondContact O-CA 3.26Å; I274-V291 CarbonylContact C-O 3.48Å; I274-V291 WeakPolarHBondContact CA-O 3.36Å; V275-V291 PolarHBondContact N-O 3.44Å; V275-V291 PolarHBondContact O-N 2.95Å; M277-V291 HydrophobicContact CE-CB 4.5Å; M277-V291 HydrophobicContact CE-CG2 3.72Å
292T98.9Very high97.7Very high0 Ų038.9 Ų38.90%023%0.231CC..EExtended strand (participates in β ladder)trans-143.2174.8-177.4-170.60000111.8S104 V105 Y107 L122 D273 I296 A297S104-T292 PolarHBondContact N-O 3.38Å; S104-T292 VanDerWaalsContact N-O 3.13Å; V105-T292 HydrophobicContact CB-CG2 4.49Å; V105-T292 PolarHBondContact N-O 2.91Å; V105-T292 VanDerWaalsContact N-O 3.08Å; V105-T292 PolarHBondContact O-N 2.84Å; Y107-T292 HydrophobicContact CD2-CG2 4.39Å; Y107-T292 HydrophobicContact CE2-CG2 3.92Å; L122-T292 HydrophobicContact CD1-CG2 4.29Å; D273-T292 WeakPolarHBondContact O-CA 3.33Å; D273-T292 PolarHBondContact O-OG1 2.68Å; T292-I296 HydrophobicContact CG2-CG2 4.43Å; T292-I296 WeakPolarHBondContact OG1-CB 3.4Å; T292-I296 WeakPolarHBondContact OG1-CG2 3.38Å; T292-A297 HydrophobicContact CG2-CB 4.19Å
293T98.9Very high97.3Very high14 Ų1441 Ų419%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-69.9155.8172.973.10000111.3K102 D273 E295 I296 A297K102-T293 HydrophobicContact CB-CG2 4.31Å; K102-T293 HydrophobicContact CD-CG2 3.96Å; K102-T293 HydrophobicContact CG-CG2 4.05Å; K102-T293 WeakPolarHBondContact O-CA 3.42Å; D273-T293 PolarHBondContact O-N 2.9Å; T293-E295 VanDerWaalsContact C-N 3.29Å; T293-E295 PolarHBondContact O-N 3.3Å; T293-I296 PolarHBondContact O-N 2.92Å; T293-I296 WeakPolarHBondContact OG1-CG1 3.32Å; T293-I296 PolarHBondContact OG1-N 3.29Å; T293-A297 PolarHBondContact O-N 3.15Å; T293-A297 VanDerWaalsContact O-N 3.14Å
294R98.6Very high96.6Very high150 Ų15043.3 Ų43.357%0.56628%0.275SS*.Hα-helixtrans-61-40175.3-176.2165.1-60.1-167.93.7112.3V105 I296 A297 E298V105-R294 HydrophobicContact CG2-CB 4.24Å; R294-I296 PolarHBondContact O-N 2.93Å; R294-A297 PolarHBondContact O-N 3.12Å; R294-E298 VanDerWaalsContact CD-OE1 3.28Å; R294-E298 WeakPolarHBondContact CD-OE1 3.45Å; R294-E298 HydrophobicContact CG-CG 4.07Å; R294-E298 WeakPolarHBondContact CG-OE1 3.39Å; R294-E298 WeakPolarHBondContact O-CB 3.3Å; R294-E298 WeakPolarHBondContact O-CG 3.46Å; R294-E298 PolarHBondContact O-N 3.03Å
295E98.4Very high95.9Very high124 Ų12445.7 Ų45.758%0.57928%0.276SS*.Hα-helixtrans-57.4-47.7178.2-178.5175.9-143.800112.6Y126 T293 E298 A299Y126-E295 HydrophobicContact CE2-CG 3.84Å; Y126-E295 PolarHBondContact OH-OE1 3Å; Y126-E295 PolarHBondContact OH-OE2 3.25Å; T293-E295 VanDerWaalsContact C-N 3.29Å; T293-E295 PolarHBondContact O-N 3.3Å; E295-E298 PolarHBondContact O-N 2.89Å; E295-A299 WeakPolarHBondContact O-CB 3.46Å; E295-A299 PolarHBondContact O-N 3.46Å
296I98.6Very high95.3Very high3 Ų349.1 Ų49.12%0.01529%0.293CS..Hα-helixtrans-66.5-40.6177.1-67.5168.2000111L122 Y126 V243 D273 I274 T292 T293 R294 F300L122-I296 HydrophobicContact CB-CG2 3.98Å; L122-I296 HydrophobicContact CD2-CG2 4.33Å; Y126-I296 HydrophobicContact CD1-CG1 3.98Å; Y126-I296 HydrophobicContact CD2-CG1 4.15Å; Y126-I296 HydrophobicContact CE1-CG1 4.07Å; Y126-I296 HydrophobicContact CE2-CG1 4.27Å; Y126-I296 HydrophobicContact CG-CG1 4.03Å; V243-I296 HydrophobicContact CB-CD1 4.48Å; V243-I296 HydrophobicContact CG1-CD1 3.87Å; D273-I296 HydrophobicContact CB-CD1 3.73Å; I274-I296 HydrophobicContact CD1-CG2 4.39Å; I274-I296 HydrophobicContact CG1-CD1 4.22Å; T292-I296 HydrophobicContact CG2-CG2 4.43Å; T292-I296 WeakPolarHBondContact OG1-CB 3.4Å; T292-I296 WeakPolarHBondContact OG1-CG2 3.38Å; T293-I296 PolarHBondContact O-N 2.92Å; T293-I296 WeakPolarHBondContact OG1-CG1 3.32Å; T293-I296 PolarHBondContact OG1-N 3.29Å; R294-I296 PolarHBondContact O-N 2.93Å; I296-F300 PolarHBondContact O-N 3.19Å
297A98.3Very high94.9Very high11 Ų1148 Ų489%0.09128%0.278CS..Hα-helixtrans-65.1-40.5177.500000112.8V105 Y107 T292 T293 R294 F300 G301V105-A297 HydrophobicContact CB-CB 4Å; V105-A297 HydrophobicContact CG1-CB 3.72Å; V105-A297 HydrophobicContact CG2-CB 4.1Å; Y107-A297 HydrophobicContact CE2-CB 4.17Å; Y107-A297 WeakPolarHBondContact OH-CA 3.2Å; Y107-A297 WeakPolarHBondContact OH-CB 3.28Å; T292-A297 HydrophobicContact CG2-CB 4.19Å; T293-A297 PolarHBondContact O-N 3.15Å; T293-A297 VanDerWaalsContact O-N 3.14Å; R294-A297 PolarHBondContact O-N 3.12Å; A297-F300 PolarHBondContact O-N 2.93Å; A297-G301 PolarHBondContact O-N 2.81Å
298E97.4Very high94.5Very high123 Ų12351.4 Ų51.458%0.57529%0.293SS*.Hα-helixtrans-67.9-41.9177-76.3174.1-179.700111.3R294 E295 F300 G301 A302R294-E298 VanDerWaalsContact CD-OE1 3.28Å; R294-E298 WeakPolarHBondContact CD-OE1 3.45Å; R294-E298 HydrophobicContact CG-CG 4.07Å; R294-E298 WeakPolarHBondContact CG-OE1 3.39Å; R294-E298 WeakPolarHBondContact O-CB 3.3Å; R294-E298 WeakPolarHBondContact O-CG 3.46Å; R294-E298 PolarHBondContact O-N 3.03Å; E295-E298 PolarHBondContact O-N 2.89Å; E298-F300 VanDerWaalsContact C-N 3.3Å; E298-F300 PolarHBondContact O-N 2.91Å; E298-G301 PolarHBondContact O-N 2.96Å; E298-A302 VanDerWaalsContact O-CB 3.29Å; E298-A302 WeakPolarHBondContact O-CB 3.39Å; E298-A302 PolarHBondContact O-N 2.71Å
299A97.1Very high93.9Very high29 Ų2952.5 Ų52.524%0.2430%0.298CS..Hα-helixtrans-62-36.517300000112.8Y126 E295Y126-A299 HydrophobicContact CD2-CB 3.65Å; Y126-A299 HydrophobicContact CE2-CB 4.32Å; E295-A299 WeakPolarHBondContact O-CB 3.46Å; E295-A299 PolarHBondContact O-N 3.46Å
300F97.2Very high93.5Very high6 Ų655.9 Ų55.93%0.02632%0.319CS..Hα-helixtrans-68-43.1173.5-171.3-113000112Y107 L118 R121 L122 Q125 I296 A297 E298 S303 Y307Y107-F300 HydrophobicContact CE1-CD1 4.29Å; Y107-F300 HydrophobicContact CE1-CE1 4.48Å; L118-F300 HydrophobicContact CD1-CE1 4.21Å; L118-F300 HydrophobicContact CD1-CZ 3.99Å; R121-F300 HydrophobicContact CB-CE2 4.21Å; L122-F300 HydrophobicContact CD2-CB 3.63Å; L122-F300 HydrophobicContact CD2-CD1 3.75Å; L122-F300 HydrophobicContact CD2-CD2 3.98Å; L122-F300 HydrophobicContact CD2-CE1 4.35Å; L122-F300 HydrophobicContact CD2-CG 3.54Å; Q125-F300 HydrophobicContact CB-CD2 3.78Å; Q125-F300 HydrophobicContact CB-CE2 4.44Å; Q125-F300 HydrophobicContact CG-CD2 3.83Å; I296-F300 PolarHBondContact O-N 3.19Å; A297-F300 PolarHBondContact O-N 2.93Å; E298-F300 VanDerWaalsContact C-N 3.3Å; E298-F300 PolarHBondContact O-N 2.91Å; F300-S303 WeakPolarHBondContact O-CB 3.37Å; F300-S303 PolarHBondContact O-N 2.86Å; F300-S303 PolarHBondContact O-OG 3.47Å; F300-Y307 HydrophobicContact CE1-CD2 4.37Å; F300-Y307 HydrophobicContact CE1-CG 4.32Å; F300-Y307 HydrophobicContact CZ-CD2 4.4Å
301G95.1Very high93.3Very high48 Ų4862.1 Ų62.150%0.49535%0.347SS..Hα-helixtrans-64.1-38.5174.600000113.5A297 E298 S303 G304A297-G301 PolarHBondContact O-N 2.81Å; E298-G301 PolarHBondContact O-N 2.96Å; G301-S303 PolarHBondContact O-N 2.93Å; G301-S303 VanDerWaalsContact O-N 3.13Å; G301-G304 PolarHBondContact O-N 3.36Å
302A94.5Very high93Very high88 Ų8862.2 Ų62.273%0.72735%0.348SS*.Hα-helixtrans-64.1-15.3178.200000113.9E298 G304E298-A302 VanDerWaalsContact O-CB 3.29Å; E298-A302 WeakPolarHBondContact O-CB 3.39Å; E298-A302 PolarHBondContact O-N 2.71Å; A302-G304 PolarHBondContact O-N 2.76Å
303S89.5Confident92.7Very high46 Ų4662.3 Ų62.332%0.32235%0.349SS..THydrogen-bonded Turntrans-65.3-14.6170.974.30000113.9F300 G301 L305F300-S303 WeakPolarHBondContact O-CB 3.37Å; F300-S303 PolarHBondContact O-N 2.86Å; F300-S303 PolarHBondContact O-OG 3.47Å; G301-S303 PolarHBondContact O-N 2.93Å; G301-S303 VanDerWaalsContact O-N 3.13Å; S303-L305 PolarHBondContact O-N 2.83Å; S303-L305 VanDerWaalsContact OG-CB 3.29Å; S303-L305 WeakPolarHBondContact OG-CB 3.48Å; S303-L305 PolarHBondContact OG-N 3.5Å
304G84.3Confident92.6Very high70 Ų7062.1 Ų62.172%0.72235%0.347SS*.THydrogen-bonded Turntrans75.30.6-173.200000114.1G301 A302 E306G301-G304 PolarHBondContact O-N 3.36Å; A302-G304 PolarHBondContact O-N 2.76Å; G304-E306 PolarHBondContact O-N 3.02Å
305L79.1Confident92.6Very high92 Ų9255.2 Ų55.248%0.48232%0.322SS..  trans-80.8106.5179.6-174.661.9000110.9R121 S303 Y307R121-L305 VanDerWaalsContact NH2-CD2 3.3Å; S303-L305 PolarHBondContact O-N 2.83Å; S303-L305 VanDerWaalsContact OG-CB 3.29Å; S303-L305 WeakPolarHBondContact OG-CB 3.48Å; S303-L305 PolarHBondContact OG-N 3.5Å; L305-Y307 PolarHBondContact O-N 3.12Å
306E85.3Confident92.6Very high138 Ų13849.5 Ų49.565%0.64530%0.295SS*.  trans-61.8119.3170.1-164.9-162.8172.600109.9R82 G304R82-E306 IonicContact CZ-OE1 3.4Å; R82-E306 IonicContact NE-OE1 3.37Å; R82-E306 PolarHBondContact NE-OE1 2.95Å; R82-E306 IonicContact NH2-OE1 2.67Å; R82-E306 PolarHBondContact NH2-OE1 2.87Å; R82-E306 IonicContact NH2-OE2 3.17Å; R82-E306 PolarHBondContact NH2-OE2 2.85Å; G304-E306 PolarHBondContact O-N 3.02Å
307Y89.9Confident92.6Very high62 Ų6249.4 Ų49.424%0.24330%0.295CS..  trans-91.5120.7171.5-176.1-96.2000110.7Y107 V109 L118 F300 L305 N309Y107-Y307 HydrophobicContact CD1-CD1 4.2Å; V109-Y307 VanDerWaalsContact CG1-OH 3.25Å; V109-Y307 WeakPolarHBondContact CG1-OH 3.24Å; L118-Y307 HydrophobicContact CD1-CD2 3.99Å; L118-Y307 HydrophobicContact CD1-CE2 3.71Å; L118-Y307 HydrophobicContact CD2-CE1 4.03Å; L118-Y307 HydrophobicContact CD2-CE2 4.26Å; F300-Y307 HydrophobicContact CE1-CD2 4.37Å; F300-Y307 HydrophobicContact CE1-CG 4.32Å; F300-Y307 HydrophobicContact CZ-CD2 4.4Å; L305-Y307 PolarHBondContact O-N 3.12Å; Y307-N309 HydrophobicContact CE1-CB 4.26Å
308F88.9Confident92.6Very high75 Ų7548.9 Ų48.933%0.32929%0.29SS..  trans-133138.4175.5175.5-110.6000110.9N80 R82N80-F308 HydrophobicContact CB-CE2 4.1Å; N80-F308 HydrophobicContact CB-CZ 4.12Å; R82-F308 HydrophobicContact CG-CD2 3.92Å; R82-F308 HydrophobicContact CG-CE2 3.82Å; R82-F308 VanDerWaalsContact CZ-CD2 3.46Å; R82-F308 VanDerWaalsContact NE-CD2 3.28Å
309N85.9Confident92.7Very high23 Ų2343.5 Ų43.512%0.12327%0.267CS..  trans-131.8121.1171.2-174.5-36.8000107.9N110 E114 Y307 F311 G312N110-N309 PolarHBondContact ND2-ND2 3.41Å; N110-N309 PolarHBondContact ND2-OD1 3.43Å; E114-N309 PolarHBondContact OE2-ND2 2.63Å; Y307-N309 HydrophobicContact CE1-CB 4.26Å; N309-F311 PolarHBondContact O-N 2.87Å; N309-F311 VanDerWaalsContact O-N 3.13Å; N309-F311 PolarHBondContact OD1-N 2.99Å; N309-G312 PolarHBondContact O-N 2.7Å; N309-G312 PolarHBondContact OD1-N 2.92Å
310T90.7Very high92.7Very high72 Ų7242.5 Ų42.544%0.44226%0.258SS..SBendtrans-55.2-34.5-173.6-52.70000113.8N80N80-T310 WeakPolarHBondContact CA-O 3.01Å; N80-T310 WeakPolarHBondContact CB-O 3.47Å
311F94.1Very high92.8Very high131 Ų13142.2 Ų42.258%0.57526%0.256SS*.SBendtrans-116.8-13.3-175.4-55.3-61.7000112.8N110 N309 G313 N314N110-F311 WeakPolarHBondContact OD1-CB 3.18Å; N110-F311 PolarHBondContact OD1-O 3.01Å; N309-F311 PolarHBondContact O-N 2.87Å; N309-F311 VanDerWaalsContact O-N 3.13Å; N309-F311 PolarHBondContact OD1-N 2.99Å; F311-G313 PolarHBondContact O-N 3.17Å; F311-N314 PolarHBondContact O-N 3.32Å; F311-N314 PolarHBondContact O-ND2 2.86Å
312G91.9Very high93Very high2 Ų240.8 Ų40.82%0.02124%0.237CC..THydrogen-bonded Turntrans-59120.2175.700000111.9S81 F108 N110 N309 N314S81-G312 WeakPolarHBondContact CB-O 3.39Å; S81-G312 PolarHBondContact OG-O 3.2Å; F108-G312 VanDerWaalsContact O-CA 3.3Å; F108-G312 WeakPolarHBondContact O-CA 3.38Å; N110-G312 PolarHBondContact OD1-N 2.73Å; N309-G312 PolarHBondContact O-N 2.7Å; N309-G312 PolarHBondContact OD1-N 2.92Å; G312-N314 VanDerWaalsContact C-N 3.31Å; G312-N314 PolarHBondContact O-N 3.11Å
313G92.9Very high93.2Very high2 Ų236.8 Ų36.82%0.02120%0.204CC..THydrogen-bonded Turntrans72.518.5178.200000114.5F311 C318F311-G313 PolarHBondContact O-N 3.17Å; G313-C318 PolarHBondContact O-SG 2.89Å
314N96.9Very high93.7Very high10 Ų1034.6 Ų34.65%0.05319%0.189CC..  trans-57.1152.4175.274.678.1000111.5T79 F311 G312 V316 S317 C318T79-N314 WeakPolarHBondContact O-CB 3.42Å; F311-N314 PolarHBondContact O-N 3.32Å; F311-N314 PolarHBondContact O-ND2 2.86Å; G312-N314 VanDerWaalsContact C-N 3.31Å; G312-N314 PolarHBondContact O-N 3.11Å; N314-V316 VanDerWaalsContact C-N 3.28Å; N314-V316 PolarHBondContact O-N 2.86Å; N314-V316 WeakPolarHBondContact OD1-CB 3.39Å; N314-V316 PolarHBondContact OD1-N 3.04Å; N314-V316 VanDerWaalsContact OD1-N 3.12Å; N314-S317 WeakPolarHBondContact ND2-CB 3.07Å; N314-S317 PolarHBondContact ND2-OG 2.84Å; N314-S317 PolarHBondContact O-N 3.49Å; N314-S317 PolarHBondContact OD1-N 3.18Å; N314-C318 PolarHBondContact O-N 3.41Å; N314-C318 VanDerWaalsContact O-N 3.08Å; N314-C318 PolarHBondContact O-SG 2.96Å; N314-C318 VanDerWaalsContact O-SG 3.38Å
315P98.3Very high94.4Very high5 Ų531.6 Ų31.63%0.03216%0.156CC..Hα-helixtrans-55.1-37.8-175.1-30.637.4000115.1Q73 L77 T79 H85 N87 C318 A319Q73-P315 HydrophobicContact CG-CB 3.99Å; L77-P315 HydrophobicContact CD2-CG 4.24Å; L77-P315 HydrophobicContact CG-CG 4.46Å; T79-P315 WeakPolarHBondContact O-CD 3.19Å; H85-P315 HydrophobicContact CB-CG 4.39Å; N87-P315 PolarHBondContact ND2-O 3.45Å; N87-P315 VanDerWaalsContact ND2-O 3.15Å; P315-C318 PolarHBondContact O-N 3.01Å; P315-A319 WeakPolarHBondContact O-CB 3.4Å; P315-A319 PolarHBondContact O-N 2.9Å
316V98.6Very high95.3Very high3 Ų329.5 Ų29.52%0.01814%0.144CC..Hα-helixtrans-69.2-47.5-178.8179.60000110.7Q73 M74 N78 N314 C318 A319 I320Q73-V316 HydrophobicContact CB-CG2 4.26Å; Q73-V316 HydrophobicContact CG-CB 4.34Å; Q73-V316 HydrophobicContact CG-CG2 3.85Å; M74-V316 HydrophobicContact CG-CB 4.38Å; M74-V316 HydrophobicContact CG-CG1 3.69Å; M74-V316 HydrophobicContact CG-CG2 3.69Å; M74-V316 HydrophobicContact SD-CG1 4.28Å; N78-V316 HydrophobicContact CB-CG2 3.73Å; N314-V316 VanDerWaalsContact C-N 3.28Å; N314-V316 PolarHBondContact O-N 2.86Å; N314-V316 WeakPolarHBondContact OD1-CB 3.39Å; N314-V316 PolarHBondContact OD1-N 3.04Å; N314-V316 VanDerWaalsContact OD1-N 3.12Å; V316-C318 VanDerWaalsContact C-N 3.29Å; V316-C318 PolarHBondContact O-N 3.19Å; V316-A319 PolarHBondContact O-N 2.98Å; V316-I320 HydrophobicContact CG1-CD1 3.96Å; V316-I320 WeakPolarHBondContact O-CG1 3.32Å; V316-I320 PolarHBondContact O-N 2.63Å
317S98.4Very high95.9Very high1 Ų123 Ų231%0.00711%0.114CC..Hα-helixtrans-57.9-42.5174.3-71.60000111.3H285 P286 N314 I320 G321H285-S317 PolarHBondContact CD2-OG 3.07Å; H285-S317 VanDerWaalsContact CD2-OG 3.23Å; H285-S317 PolarHBondContact NE2-OG 2.82Å; P286-S317 PolarHBondContact O-OG 2.75Å; N314-S317 WeakPolarHBondContact ND2-CB 3.07Å; N314-S317 PolarHBondContact ND2-OG 2.84Å; N314-S317 PolarHBondContact O-N 3.49Å; N314-S317 PolarHBondContact OD1-N 3.18Å; S317-I320 WeakPolarHBondContact O-CB 3.47Å; S317-I320 PolarHBondContact O-N 2.91Å; S317-G321 PolarHBondContact O-N 3.27Å
318C98.6Very high96.4Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-68.1-37.1177.7-60.10000113.1N87 G313 N314 P315 V316 I320 G321 L322N87-C318 HydrophobicContact CB-CB 3.74Å; N87-C318 WeakPolarHBondContact O-CB 3.27Å; G313-C318 PolarHBondContact O-SG 2.89Å; N314-C318 PolarHBondContact O-N 3.41Å; N314-C318 VanDerWaalsContact O-N 3.08Å; N314-C318 PolarHBondContact O-SG 2.96Å; N314-C318 VanDerWaalsContact O-SG 3.38Å; P315-C318 PolarHBondContact O-N 3.01Å; V316-C318 VanDerWaalsContact C-N 3.29Å; V316-C318 PolarHBondContact O-N 3.19Å; C318-I320 VanDerWaalsContact C-N 3.34Å; C318-G321 PolarHBondContact O-N 2.92Å; C318-L322 WeakPolarHBondContact O-CB 3.36Å; C318-L322 WeakPolarHBondContact O-CG 3.45Å; C318-L322 PolarHBondContact O-N 3.31Å
319A98.8Very high96.8Very high11 Ų1122.8 Ų22.89%0.09112%0.116CC..Hα-helixtrans-62.6-40.9172.600000112.2Q73 P315 V316 A323Q73-A319 HydrophobicContact CB-CB 3.78Å; Q73-A319 HydrophobicContact CG-CB 4.03Å; P315-A319 WeakPolarHBondContact O-CB 3.4Å; P315-A319 PolarHBondContact O-N 2.9Å; V316-A319 PolarHBondContact O-N 2.98Å; A319-A323 WeakPolarHBondContact O-CB 3.16Å; A319-A323 PolarHBondContact O-N 3.19Å; A319-A323 VanDerWaalsContact O-N 3.07Å
320I98.8Very high97.5Very high7 Ų728.2 Ų28.24%0.03614%0.139CC..Hα-helixtrans-63.2-47.7174.1-72.3167.5000110.5V66 A70 G282 H285 V316 S317 C318 L322 A323 V324V66-I320 HydrophobicContact CG1-CG1 4.5Å; V66-I320 HydrophobicContact CG1-CG2 3.86Å; A70-I320 HydrophobicContact CB-CD1 3.73Å; A70-I320 HydrophobicContact CB-CG1 3.68Å; G282-I320 WeakPolarHBondContact O-CG2 3.11Å; H285-I320 HydrophobicContact CB-CD1 3.98Å; H285-I320 HydrophobicContact CB-CG2 4.07Å; H285-I320 VanDerWaalsContact CG-CD1 3.49Å; V316-I320 HydrophobicContact CG1-CD1 3.96Å; V316-I320 WeakPolarHBondContact O-CG1 3.32Å; V316-I320 PolarHBondContact O-N 2.63Å; S317-I320 WeakPolarHBondContact O-CB 3.47Å; S317-I320 PolarHBondContact O-N 2.91Å; C318-I320 VanDerWaalsContact C-N 3.34Å; I320-L322 PolarHBondContact O-N 3.23Å; I320-A323 PolarHBondContact O-N 3.04Å; I320-V324 WeakPolarHBondContact O-CG2 3.13Å; I320-V324 PolarHBondContact O-N 3.29Å
321G98.7Very high97.8Very high0 Ų028.9 Ų28.90%014%0.137CC..Hα-helixtrans-60.6-42.7178.900000113.1Y91 S317 C318 V324 L325Y91-G321 VanDerWaalsContact CE2-CA 3.48Å; Y91-G321 VanDerWaalsContact CE2-O 3.28Å; Y91-G321 WeakPolarHBondContact CE2-O 3.43Å; S317-G321 PolarHBondContact O-N 3.27Å; C318-G321 PolarHBondContact O-N 2.92Å; G321-V324 PolarHBondContact O-N 3.47Å; G321-L325 PolarHBondContact O-N 2.94Å
322L98.9Very high98.1Very high19 Ų1926 Ų2610%0.09913%0.127CC..Hα-helixtrans-59.2-47.1172.8-76.4165.2000111.4N87 Q90 Y91 R94 C318 I320 V324 L325 E326N87-L322 HydrophobicContact CB-CD1 4.35Å; Q90-L322 HydrophobicContact CB-CD1 4.25Å; Q90-L322 HydrophobicContact CB-CD2 4.43Å; Y91-L322 HydrophobicContact CD2-CD2 4.01Å; Y91-L322 HydrophobicContact CD2-CG 3.84Å; Y91-L322 HydrophobicContact CG-CG 4.32Å; R94-L322 HydrophobicContact CB-CD2 4.27Å; R94-L322 HydrophobicContact CG-CD2 3.9Å; C318-L322 WeakPolarHBondContact O-CB 3.36Å; C318-L322 WeakPolarHBondContact O-CG 3.45Å; C318-L322 PolarHBondContact O-N 3.31Å; I320-L322 PolarHBondContact O-N 3.23Å; L322-V324 VanDerWaalsContact C-N 3.32Å; L322-V324 PolarHBondContact O-N 3.41Å; L322-L325 PolarHBondContact O-N 2.88Å; L322-E326 PolarHBondContact O-N 2.74Å
323A98.9Very high98.4Very high3 Ų326.1 Ų26.13%0.02513%0.127CC..Hα-helixtrans-63.3-35.4177.600000112.9Y65 V66 A69 A319 I320 V327Y65-A323 HydrophobicContact CD1-CB 3.92Å; Y65-A323 HydrophobicContact CE1-CB 4.16Å; V66-A323 HydrophobicContact CG2-CB 4.38Å; A69-A323 HydrophobicContact CB-CB 3.57Å; A319-A323 WeakPolarHBondContact O-CB 3.16Å; A319-A323 PolarHBondContact O-N 3.19Å; A319-A323 VanDerWaalsContact O-N 3.07Å; I320-A323 PolarHBondContact O-N 3.04Å; A323-V327 VanDerWaalsContact O-CG2 3.24Å; A323-V327 WeakPolarHBondContact O-CG2 3.39Å; A323-V327 PolarHBondContact O-N 3.24Å
324V98.9Very high98.7Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-65-47.4174.31670000111.4V59 V66 N283 I320 G321 L322 E326 V327 I328V59-V324 HydrophobicContact CG1-CG1 4.13Å; V66-V324 HydrophobicContact CG1-CG2 4.38Å; V66-V324 HydrophobicContact CG2-CG2 4.04Å; N283-V324 HydrophobicContact CB-CG2 3.78Å; I320-V324 WeakPolarHBondContact O-CG2 3.13Å; I320-V324 PolarHBondContact O-N 3.29Å; G321-V324 PolarHBondContact O-N 3.47Å; L322-V324 VanDerWaalsContact C-N 3.32Å; L322-V324 PolarHBondContact O-N 3.41Å; V324-E326 VanDerWaalsContact C-N 3.34Å; V324-E326 PolarHBondContact O-N 3.11Å; V324-V327 PolarHBondContact O-N 2.89Å; V324-I328 HydrophobicContact CG1-CD1 3.84Å; V324-I328 WeakPolarHBondContact O-CG1 3.48Å; V324-I328 PolarHBondContact O-N 3.45Å
325L98.9Very high98.8Very high8 Ų828.7 Ų28.74%0.04214%0.142CC..Hα-helixtrans-59.7-44.4176.2-70.7-179.2000111.7Y91 R94 F253 F260 G321 L322 V327 I328 E329Y91-L325 HydrophobicContact CD2-CD1 4.08Å; Y91-L325 HydrophobicContact CE2-CD1 3.57Å; Y91-L325 HydrophobicContact CE2-CG 4.02Å; R94-L325 HydrophobicContact CB-CD1 3.75Å; F253-L325 HydrophobicContact CD1-CD2 4Å; F253-L325 HydrophobicContact CE1-CD2 3.77Å; F260-L325 HydrophobicContact CE1-CD2 4.47Å; F260-L325 HydrophobicContact CE2-CD2 4.43Å; F260-L325 HydrophobicContact CZ-CD2 3.63Å; G321-L325 PolarHBondContact O-N 2.94Å; L322-L325 PolarHBondContact O-N 2.88Å; L325-V327 VanDerWaalsContact C-N 3.34Å; L325-V327 PolarHBondContact O-N 3.1Å; L325-I328 PolarHBondContact O-N 2.84Å; L325-E329 WeakPolarHBondContact O-CB 3.21Å; L325-E329 PolarHBondContact O-N 2.68Å; L325-E329 VanDerWaalsContact O-N 3.11Å
326E98.8Very high98.8Very high47 Ų4729.9 Ų29.922%0.2215%0.149CC..Hα-helixtrans-63.5-35.5176.9-76.5-174.5-141.100113.5Y65 L322 V324 K330Y65-E326 HydrophobicContact CE1-CB 4.05Å; Y65-E326 WeakPolarHBondContact CE1-OE2 3.2Å; Y65-E326 PolarHBondContact OH-OE2 3.26Å; L322-E326 PolarHBondContact O-N 2.74Å; V324-E326 VanDerWaalsContact C-N 3.34Å; V324-E326 PolarHBondContact O-N 3.11Å; E326-K330 HydrophobicContact CB-CD 4.43Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CD 3.4Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.09Å; E326-K330 IonicContact OE2-NZ 2.72Å; E326-K330 PolarHBondContact OE2-NZ 2.84Å
327V98.9Very high98.8Very high2 Ų229.8 Ų29.81%0.01215%0.148CC..Hα-helixtrans-71.4-42177.4169.40000111V59 H63 Y65 A323 V324 L325 E329 K330 E331 L333V59-V327 HydrophobicContact CB-CB 4.41Å; V59-V327 HydrophobicContact CB-CG1 3.65Å; V59-V327 HydrophobicContact CG1-CB 4.28Å; V59-V327 HydrophobicContact CG1-CG1 3.91Å; V59-V327 HydrophobicContact CG2-CG1 4.06Å; H63-V327 WeakPolarHBondContact CE1-CG2 3.19Å; H63-V327 WeakPolarHBondContact NE2-CG1 3.22Å; Y65-V327 HydrophobicContact CD1-CG2 3.71Å; Y65-V327 HydrophobicContact CG-CG2 4.13Å; A323-V327 VanDerWaalsContact O-CG2 3.24Å; A323-V327 WeakPolarHBondContact O-CG2 3.39Å; A323-V327 PolarHBondContact O-N 3.24Å; V324-V327 PolarHBondContact O-N 2.89Å; L325-V327 VanDerWaalsContact C-N 3.34Å; L325-V327 PolarHBondContact O-N 3.1Å; V327-E329 PolarHBondContact O-N 3.44Å; V327-K330 PolarHBondContact O-N 3.36Å; V327-E331 HydrophobicContact CG1-CG 4.35Å; V327-E331 WeakPolarHBondContact O-CB 3.4Å; V327-E331 PolarHBondContact O-N 3.05Å; V327-L333 HydrophobicContact CG1-CD1 4Å
328I98.9Very high98.8Very high7 Ų731.4 Ų31.44%0.03616%0.158CC..Hα-helixtrans-56.6-42.8175.1-67.2162.4000111.1V59 F253 F260 V324 L325 D332 L333V59-I328 HydrophobicContact CG1-CD1 4.41Å; V59-I328 HydrophobicContact CG1-CG1 3.78Å; F253-I328 HydrophobicContact CB-CD1 4Å; F253-I328 HydrophobicContact CD1-CD1 3.91Å; F253-I328 HydrophobicContact CG-CD1 4.45Å; F260-I328 HydrophobicContact CE2-CG2 4.1Å; V324-I328 HydrophobicContact CG1-CD1 3.84Å; V324-I328 WeakPolarHBondContact O-CG1 3.48Å; V324-I328 PolarHBondContact O-N 3.45Å; L325-I328 PolarHBondContact O-N 2.84Å; I328-D332 PolarHBondContact O-N 3.41Å; I328-L333 HydrophobicContact CG1-CD1 4.26Å; I328-L333 HydrophobicContact CG2-CB 4.45Å; I328-L333 PolarHBondContact O-N 3.38Å
329E98.8Very high98.8Very high126 Ų12636.9 Ų36.959%0.58918%0.178SC*.Hα-helixtrans-70.5-52.7178.5-177.6177.5-162.700112.5R94 L325 V327 E331 D332R94-E329 IonicContact CZ-OE2 3.5Å; R94-E329 IonicContact NH2-OE2 3.64Å; R94-E329 PolarHBondContact NH2-OE2 3.09Å; L325-E329 WeakPolarHBondContact O-CB 3.21Å; L325-E329 PolarHBondContact O-N 2.68Å; L325-E329 VanDerWaalsContact O-N 3.11Å; V327-E329 PolarHBondContact O-N 3.44Å; E329-E331 PolarHBondContact O-N 2.93Å; E329-D332 PolarHBondContact O-N 2.91Å
330K98.7Very high98.8Very high137 Ų13736.4 Ų36.460%0.59618%0.175SC*.Hα-helixtrans-71.5-29-173.8-72.3167.9177.7168.70114.2Y65 E326 V327Y65-K330 PolarHBondContact OH-NZ 3.47Å; E326-K330 HydrophobicContact CB-CD 4.43Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CD 3.4Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.09Å; E326-K330 IonicContact OE2-NZ 2.72Å; E326-K330 PolarHBondContact OE2-NZ 2.84Å; V327-K330 PolarHBondContact O-N 3.36Å
331E98.8Very high98.8Very high85 Ų8536.1 Ų36.140%0.39717%0.173SC..THydrogen-bonded Turntrans-100.56.9-179.6-61.7180-165.400112.7H63 V327 E329 L333H63-E331 IonicContact CE1-OE1 3.84Å; H63-E331 PolarHBondContact CE1-OE1 3.33Å; H63-E331 IonicContact NE2-OE1 3.81Å; H63-E331 PolarHBondContact NE2-OE1 2.96Å; H63-E331 IonicContact NE2-OE2 2.71Å; H63-E331 PolarHBondContact NE2-OE2 2.9Å; V327-E331 HydrophobicContact CG1-CG 4.35Å; V327-E331 WeakPolarHBondContact O-CB 3.4Å; V327-E331 PolarHBondContact O-N 3.05Å; E329-E331 PolarHBondContact O-N 2.93Å; E331-L333 VanDerWaalsContact C-N 3.26Å; E331-L333 HydrophobicContact CB-CD2 3.85Å; E331-L333 HydrophobicContact CB-CG 3.98Å; E331-L333 PolarHBondContact O-N 3.21Å
332D98.8Very high98.8Very high70 Ų7040.1 Ų40.137%0.37420%0.195SC..THydrogen-bonded Turntrans47.647.2-176.7179.340.2000112.3I328 E329 Q334 G335 N336 R339I328-D332 PolarHBondContact O-N 3.41Å; E329-D332 PolarHBondContact O-N 2.91Å; D332-Q334 PolarHBondContact O-N 3.22Å; D332-G335 PolarHBondContact O-N 3.33Å; D332-G335 WeakPolarHBondContact OD1-CA 3.17Å; D332-G335 PolarHBondContact OD1-N 3.08Å; D332-N336 WeakPolarHBondContact O-CB 3.43Å; D332-N336 PolarHBondContact O-N 3.08Å; D332-R339 IonicContact OD2-CZ 2.93Å; D332-R339 IonicContact OD2-NH1 2.65Å; D332-R339 PolarHBondContact OD2-NH1 2.99Å; D332-R339 IonicContact OD2-NH2 2.63Å; D332-R339 PolarHBondContact OD2-NH2 3.19Å
333L98.9Very high98.8Very high5 Ų542.2 Ų42.23%0.02620%0.202CC..Hα-helixtrans-67.9-29.5-175.1-64-174.2000111.9V59 V327 I328 E331 N336 A337 M416V59-L333 HydrophobicContact CB-CD1 3.82Å; V59-L333 HydrophobicContact CG1-CD1 3.67Å; V327-L333 HydrophobicContact CG1-CD1 4Å; I328-L333 HydrophobicContact CG1-CD1 4.26Å; I328-L333 HydrophobicContact CG2-CB 4.45Å; I328-L333 PolarHBondContact O-N 3.38Å; E331-L333 VanDerWaalsContact C-N 3.26Å; E331-L333 HydrophobicContact CB-CD2 3.85Å; E331-L333 HydrophobicContact CB-CG 3.98Å; E331-L333 PolarHBondContact O-N 3.21Å; L333-N336 PolarHBondContact O-N 3.41Å; L333-A337 WeakPolarHBondContact O-CB 3.41Å; L333-A337 PolarHBondContact O-N 2.88Å; L333-M416 HydrophobicContact CB-CB 3.95Å; L333-M416 HydrophobicContact CB-CE 4.37Å; L333-M416 HydrophobicContact CD1-CB 4.19Å; L333-M416 HydrophobicContact CD2-CB 4.45Å; L333-M416 HydrophobicContact CG-CB 4.43Å; L333-M416 WeakPolarHBondContact O-CE 3.4Å
334Q98.8Very high98.8Very high53 Ų5342.1 Ų42.125%0.24820%0.2CC..Hα-helixtrans-67.7-44.8172.3179.8175.6-2000111.6G257 H259 D332 N336 A337 T338G257-Q334 WeakPolarHBondContact CA-O 3.42Å; G257-Q334 WeakPolarHBondContact O-CG 3.5Å; G257-Q334 PolarHBondContact O-NE2 2.88Å; H259-Q334 VanDerWaalsContact C-NE2 3.31Å; D332-Q334 PolarHBondContact O-N 3.22Å; Q334-N336 VanDerWaalsContact C-N 3.33Å; Q334-N336 PolarHBondContact O-N 3Å; Q334-A337 PolarHBondContact O-N 3.23Å; Q334-T338 PolarHBondContact O-N 3.33Å; Q334-T338 VanDerWaalsContact O-N 3.12Å; Q334-T338 PolarHBondContact O-OG1 3.08Å
335G98.8Very high98.8Very high14 Ų1443.6 Ų43.614%0.14421%0.208CC..Hα-helixtrans-64.6-37.1171.900000112.4D332 T338 R339D332-G335 PolarHBondContact O-N 3.33Å; D332-G335 WeakPolarHBondContact OD1-CA 3.17Å; D332-G335 PolarHBondContact OD1-N 3.08Å; G335-T338 WeakPolarHBondContact O-CB 3.06Å; G335-T338 PolarHBondContact O-N 3.47Å; G335-R339 VanDerWaalsContact C-CZ 3.44Å; G335-R339 WeakPolarHBondContact O-CG 3.36Å; G335-R339 PolarHBondContact O-N 3.17Å
336N98.9Very high98.8Very high30 Ų3048.8 Ų48.816%0.1623%0.232CC..Hα-helixtrans-63-43.7174.8-167.360.3000111.6D332 L333 Q334 T338 R339 V340 M416 F418D332-N336 WeakPolarHBondContact O-CB 3.43Å; D332-N336 PolarHBondContact O-N 3.08Å; L333-N336 PolarHBondContact O-N 3.41Å; Q334-N336 VanDerWaalsContact C-N 3.33Å; Q334-N336 PolarHBondContact O-N 3Å; N336-T338 VanDerWaalsContact C-N 3.25Å; N336-T338 PolarHBondContact O-N 2.95Å; N336-R339 PolarHBondContact O-N 3.13Å; N336-V340 WeakPolarHBondContact O-CB 3.36Å; N336-V340 WeakPolarHBondContact O-CG2 3.49Å; N336-V340 PolarHBondContact O-N 3.23Å; N336-V340 WeakPolarHBondContact OD1-CG2 3.28Å; N336-M416 PolarHBondContact ND2-O 3Å; N336-F418 PolarHBondContact ND2-O 3.35Å
337A98.9Very high98.8Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-60.4-35.8175.100000112.5L333 Q334 G341 G365 L366 M416L333-A337 WeakPolarHBondContact O-CB 3.41Å; L333-A337 PolarHBondContact O-N 2.88Å; Q334-A337 PolarHBondContact O-N 3.23Å; A337-G341 VanDerWaalsContact O-CA 3.29Å; A337-G341 WeakPolarHBondContact O-CA 3.35Å; A337-G341 PolarHBondContact O-N 2.95Å; A337-G365 CarbonylContact O-C 3.46Å; A337-G365 VanDerWaalsContact O-CA 3.27Å; A337-G365 WeakPolarHBondContact O-CA 3.48Å; A337-L366 HydrophobicContact CB-CB 4.4Å; A337-L366 HydrophobicContact CB-CD1 3.99Å; A337-L366 HydrophobicContact CB-CG 4.05Å; A337-M416 HydrophobicContact CB-CE 3.62Å; A337-M416 HydrophobicContact CB-SD 3.91Å
338T98.8Very high98.8Very high36 Ų3647.1 Ų47.122%0.22123%0.225CC..Hα-helixtrans-64.1-54.4171.4-52.90000111.4G257 Q334 G335 N336 N342G257-T338 WeakPolarHBondContact CA-OG1 3.42Å; G257-T338 PolarHBondContact O-OG1 3.09Å; Q334-T338 PolarHBondContact O-N 3.33Å; Q334-T338 VanDerWaalsContact O-N 3.12Å; Q334-T338 PolarHBondContact O-OG1 3.08Å; G335-T338 WeakPolarHBondContact O-CB 3.06Å; G335-T338 PolarHBondContact O-N 3.47Å; N336-T338 VanDerWaalsContact C-N 3.25Å; N336-T338 PolarHBondContact O-N 2.95Å; T338-N342 WeakPolarHBondContact O-CB 3.31Å; T338-N342 PolarHBondContact O-N 2.96Å; T338-N342 PolarHBondContact O-ND2 3.4Å; T338-N342 PolarHBondContact O-OD1 3.36Å
339R98.9Very high98.8Very high114 Ų11449.3 Ų49.343%0.4324%0.241SC..Hα-helixtrans-62.4-52.5-175.3-70.2-177.3-66.1-90.84.6112.3D332 G335 N336 Y343 M420D332-R339 IonicContact OD2-CZ 2.93Å; D332-R339 IonicContact OD2-NH1 2.65Å; D332-R339 PolarHBondContact OD2-NH1 2.99Å; D332-R339 IonicContact OD2-NH2 2.63Å; D332-R339 PolarHBondContact OD2-NH2 3.19Å; G335-R339 VanDerWaalsContact C-CZ 3.44Å; G335-R339 WeakPolarHBondContact O-CG 3.36Å; G335-R339 PolarHBondContact O-N 3.17Å; N336-R339 PolarHBondContact O-N 3.13Å; R339-Y343 WeakPolarHBondContact O-CB 3.33Å; R339-Y343 PolarHBondContact O-N 2.98Å; R339-M420 HydrophobicContact CB-CE 4.05Å
340V98.9Very high98.8Very high2 Ų247.7 Ų47.71%0.01223%0.233CC..Hα-helixtrans-77.5-33.5-175.5-176.20000111.3N336 Y343 L344 L366 F418 T419 M420 A423N336-V340 WeakPolarHBondContact O-CB 3.36Å; N336-V340 WeakPolarHBondContact O-CG2 3.49Å; N336-V340 PolarHBondContact O-N 3.23Å; N336-V340 WeakPolarHBondContact OD1-CG2 3.28Å; V340-Y343 PolarHBondContact O-N 2.92Å; V340-L344 VanDerWaalsContact O-CB 3.27Å; V340-L344 WeakPolarHBondContact O-CB 3.39Å; V340-L344 PolarHBondContact O-N 2.9Å; V340-L366 HydrophobicContact CB-CD2 4.35Å; V340-L366 HydrophobicContact CG1-CD2 4.13Å; V340-F418 HydrophobicContact CG1-CD1 3.91Å; V340-T419 WeakPolarHBondContact CG1-O 3.32Å; V340-M420 HydrophobicContact CG2-CG 4.04Å; V340-A423 HydrophobicContact CG1-CB 4.17Å
341G98.8Very high98.8Very high0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-62.9-46.4173.400000112.8A337 L344 L345 G365A337-G341 VanDerWaalsContact O-CA 3.29Å; A337-G341 WeakPolarHBondContact O-CA 3.35Å; A337-G341 PolarHBondContact O-N 2.95Å; G341-L344 PolarHBondContact O-N 3.43Å; G341-L345 WeakPolarHBondContact O-CG 3.34Å; G341-L345 PolarHBondContact O-N 3.23Å; G341-G365 VanDerWaalsContact CA-O 3.23Å; G341-G365 WeakPolarHBondContact CA-O 3.23Å
342N98.9Very high98.7Very high85 Ų8541 Ų4146%0.45520%0.203SC..Hα-helixtrans-61.5-45.7175.5-69.6-9.9000111.5T338 L344 L345 E346T338-N342 WeakPolarHBondContact O-CB 3.31Å; T338-N342 PolarHBondContact O-N 2.96Å; T338-N342 PolarHBondContact O-ND2 3.4Å; T338-N342 PolarHBondContact O-OD1 3.36Å; N342-L344 PolarHBondContact O-N 3.35Å; N342-L345 PolarHBondContact O-N 3.27Å; N342-E346 WeakPolarHBondContact O-CB 3.49Å; N342-E346 PolarHBondContact O-N 3.29Å
343Y98.9Very high98.6Very high63 Ų6345.4 Ų45.425%0.24722%0.221CC..Hα-helixtrans-63.5-39.6178.1-177.5-117.5000112.7R339 V340 E346 L347 M420 A423 K424R339-Y343 WeakPolarHBondContact O-CB 3.33Å; R339-Y343 PolarHBondContact O-N 2.98Å; V340-Y343 PolarHBondContact O-N 2.92Å; Y343-E346 PolarHBondContact O-N 2.87Å; Y343-L347 HydrophobicContact CD1-CD1 3.96Å; Y343-L347 HydrophobicContact CD2-CG 4.49Å; Y343-L347 HydrophobicContact CE1-CD1 3.53Å; Y343-L347 HydrophobicContact CE1-CG 4.3Å; Y343-L347 HydrophobicContact CE2-CD1 4.27Å; Y343-L347 HydrophobicContact CE2-CD2 4.32Å; Y343-L347 HydrophobicContact CE2-CG 4.15Å; Y343-L347 WeakPolarHBondContact O-CG 3.15Å; Y343-L347 PolarHBondContact O-N 2.85Å; Y343-M420 HydrophobicContact CD1-CB 3.74Å; Y343-M420 HydrophobicContact CD1-CG 3.74Å; Y343-M420 HydrophobicContact CD1-SD 4.43Å; Y343-M420 HydrophobicContact CE1-CB 3.8Å; Y343-M420 HydrophobicContact CE1-CG 4.27Å; Y343-M420 WeakPolarHBondContact CE1-O 3.49Å; Y343-M420 HydrophobicContact CG-CG 4.27Å; Y343-A423 HydrophobicContact CD1-CB 4.23Å; Y343-K424 HydrophobicContact CE1-CB 4.36Å
344L98.9Very high98.5Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-63.4-42.4173.8177.761.8000111.7V340 G341 N342 L348 V368 F412 A423 V427V340-L344 VanDerWaalsContact O-CB 3.27Å; V340-L344 WeakPolarHBondContact O-CB 3.39Å; V340-L344 PolarHBondContact O-N 2.9Å; G341-L344 PolarHBondContact O-N 3.43Å; N342-L344 PolarHBondContact O-N 3.35Å; L344-L348 HydrophobicContact CD1-CD1 3.8Å; L344-L348 HydrophobicContact CD1-CG 4.13Å; L344-L348 HydrophobicContact CG-CD1 3.82Å; L344-L348 VanDerWaalsContact O-CB 3.3Å; L344-L348 WeakPolarHBondContact O-CB 3.34Å; L344-L348 WeakPolarHBondContact O-CD1 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.44Å; L344-L348 PolarHBondContact O-N 3.29Å; L344-V368 HydrophobicContact CD2-CB 4.48Å; L344-V368 HydrophobicContact CD2-CG2 4.23Å; L344-F412 HydrophobicContact CD1-CD1 4.49Å; L344-F412 HydrophobicContact CD1-CE1 4.35Å; L344-F412 HydrophobicContact CD2-CB 4.11Å; L344-F412 HydrophobicContact CD2-CD1 4.05Å; L344-F412 HydrophobicContact CD2-CG 4.11Å; L344-A423 HydrophobicContact CB-CB 4.28Å; L344-A423 HydrophobicContact CD1-CB 4.24Å; L344-V427 HydrophobicContact CD1-CG2 3.71Å
345L98.8Very high98.5Very high31 Ų3147.3 Ų47.316%0.16223%0.228CC..Hα-helixtrans-65.5-38.8176.6-74.5166.1000112.3G341 N342 S349 I361 V368G341-L345 WeakPolarHBondContact O-CG 3.34Å; G341-L345 PolarHBondContact O-N 3.23Å; N342-L345 PolarHBondContact O-N 3.27Å; L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.37Å; L345-S349 PolarHBondContact O-N 2.98Å; L345-S349 PolarHBondContact O-OG 3.47Å; L345-I361 HydrophobicContact CD2-CG2 4.04Å; L345-V368 HydrophobicContact CD2-CB 4.41Å; L345-V368 HydrophobicContact CD2-CG1 3.65Å; L345-V368 HydrophobicContact CD2-CG2 3.87Å; L345-V368 HydrophobicContact CG-CG2 4Å
346E98.8Very high98.4Very high117 Ų11748.1 Ų48.155%0.54723%0.231SC..Hα-helixtrans-60.6-57.5174.5-179.1174.3-157.400110.7N342 Y343 L348 S349 E350N342-E346 WeakPolarHBondContact O-CB 3.49Å; N342-E346 PolarHBondContact O-N 3.29Å; Y343-E346 PolarHBondContact O-N 2.87Å; E346-L348 VanDerWaalsContact C-N 3.31Å; E346-L348 PolarHBondContact O-N 3.48Å; E346-S349 WeakPolarHBondContact O-CA 3.48Å; E346-S349 WeakPolarHBondContact O-CB 3.5Å; E346-S349 PolarHBondContact O-N 2.91Å; E346-E350 PolarHBondContact O-N 2.92Å
347L98.8Very high98.4Very high14 Ų1446.7 Ų46.77%0.07322%0.223CC..Hα-helixtrans-54.3-45177.1-71.3174.6000112.3Y343 S349 E350 Q351 K424 V427Y343-L347 HydrophobicContact CD1-CD1 3.96Å; Y343-L347 HydrophobicContact CD2-CG 4.49Å; Y343-L347 HydrophobicContact CE1-CD1 3.53Å; Y343-L347 HydrophobicContact CE1-CG 4.3Å; Y343-L347 HydrophobicContact CE2-CD1 4.27Å; Y343-L347 HydrophobicContact CE2-CD2 4.32Å; Y343-L347 HydrophobicContact CE2-CG 4.15Å; Y343-L347 WeakPolarHBondContact O-CG 3.15Å; Y343-L347 PolarHBondContact O-N 2.85Å; L347-S349 VanDerWaalsContact C-N 3.3Å; L347-S349 PolarHBondContact O-N 2.79Å; L347-E350 WeakPolarHBondContact O-CB 3.47Å; L347-E350 PolarHBondContact O-N 3.33Å; L347-Q351 WeakPolarHBondContact O-CG 3.34Å; L347-Q351 PolarHBondContact O-N 2.89Å; L347-Q351 VanDerWaalsContact O-N 3.1Å; L347-K424 HydrophobicContact CD1-CB 4.22Å; L347-V427 HydrophobicContact CB-CB 4.27Å; L347-V427 HydrophobicContact CB-CG1 4.03Å; L347-V427 HydrophobicContact CB-CG2 4.07Å; L347-V427 HydrophobicContact CD1-CB 4.48Å; L347-V427 HydrophobicContact CD1-CG2 4.41Å
348L98.8Very high98.3Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-67.5-29.8177.9-73.3169.7000113L344 E346 Q351 K352 I361 V368 V370 F412 V427L344-L348 HydrophobicContact CD1-CD1 3.8Å; L344-L348 HydrophobicContact CD1-CG 4.13Å; L344-L348 HydrophobicContact CG-CD1 3.82Å; L344-L348 VanDerWaalsContact O-CB 3.3Å; L344-L348 WeakPolarHBondContact O-CB 3.34Å; L344-L348 WeakPolarHBondContact O-CD1 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.44Å; L344-L348 PolarHBondContact O-N 3.29Å; E346-L348 VanDerWaalsContact C-N 3.31Å; E346-L348 PolarHBondContact O-N 3.48Å; L348-Q351 PolarHBondContact O-N 3.49Å; L348-K352 PolarHBondContact O-N 3.44Å; L348-I361 HydrophobicContact CB-CD1 4.23Å; L348-I361 HydrophobicContact CB-CG2 3.75Å; L348-I361 HydrophobicContact CD1-CG2 4.49Å; L348-V368 HydrophobicContact CD1-CG1 3.83Å; L348-V370 HydrophobicContact CD1-CG2 3.72Å; L348-V370 HydrophobicContact CD2-CG2 3.93Å; L348-V370 HydrophobicContact CG-CG2 4.34Å; L348-F412 HydrophobicContact CD1-CD2 4.47Å; L348-F412 HydrophobicContact CD1-CE2 4.09Å; L348-F412 HydrophobicContact CD1-CZ 4.43Å; L348-F412 HydrophobicContact CD2-CE2 4.49Å; L348-F412 HydrophobicContact CD2-CZ 4.39Å; L348-V427 HydrophobicContact CD2-CG1 4.46Å; L348-V427 HydrophobicContact CD2-CG2 3.85Å; L348-V427 HydrophobicContact CG-CG2 3.97Å
349S98.4Very high98.3Very high53 Ų5345 Ų4537%0.37121%0.214SC..Hα-helixtrans-74.4-31.5175.4-60.30000112.4L345 E346 L347 K352 Q353L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.37Å; L345-S349 PolarHBondContact O-N 2.98Å; L345-S349 PolarHBondContact O-OG 3.47Å; E346-S349 WeakPolarHBondContact O-CA 3.48Å; E346-S349 WeakPolarHBondContact O-CB 3.5Å; E346-S349 PolarHBondContact O-N 2.91Å; L347-S349 VanDerWaalsContact C-N 3.3Å; L347-S349 PolarHBondContact O-N 2.79Å; S349-K352 PolarHBondContact O-N 3.42Å; S349-Q353 PolarHBondContact O-NE2 2.66Å
350E98.3Very high98.3Very high92 Ų9241 Ų4143%0.4320%0.201SC..Hα-helixtrans-63.6-45.2167-63.6-179.4159.100110.7E346 L347 K352 Q353E346-E350 PolarHBondContact O-N 2.92Å; L347-E350 WeakPolarHBondContact O-CB 3.47Å; L347-E350 PolarHBondContact O-N 3.33Å; E350-K352 VanDerWaalsContact C-N 3.29Å; E350-K352 PolarHBondContact O-N 3.46Å; E350-Q353 WeakPolarHBondContact O-CB 3.49Å; E350-Q353 PolarHBondContact O-N 2.92Å; E350-Q353 VanDerWaalsContact O-N 3.09Å
351Q98.4Very high98.3Very high5 Ų542 Ų422%0.02321%0.206CC..Hα-helixtrans-63.1-34.1177-62.1-50.7-11.800112.9L347 L348 Q353 K354 H355 L358 V427 D431L347-Q351 WeakPolarHBondContact O-CG 3.34Å; L347-Q351 PolarHBondContact O-N 2.89Å; L347-Q351 VanDerWaalsContact O-N 3.1Å; L348-Q351 PolarHBondContact O-N 3.49Å; Q351-Q353 PolarHBondContact O-N 2.97Å; Q351-K354 VanDerWaalsContact NE2-NZ 3.14Å; Q351-K354 PolarHBondContact O-N 2.9Å; Q351-H355 PolarHBondContact O-CD2 2.59Å; Q351-H355 PolarHBondContact O-N 2.87Å; Q351-H355 PolarHBondContact OE1-NE2 3.17Å; Q351-L358 HydrophobicContact CB-CD1 3.87Å; Q351-V427 HydrophobicContact CG-CG1 3.42Å; Q351-V427 VanDerWaalsContact CG-CG1 3.42Å; Q351-D431 VanDerWaalsContact CD-OD2 3.31Å; Q351-D431 PolarHBondContact NE2-OD2 3.12Å; Q351-D431 VanDerWaalsContact OE1-CG 3.28Å; Q351-D431 PolarHBondContact OE1-OD2 2.77Å
352K97.9Very high98.2Very high78 Ų7843.2 Ų43.234%0.33921%0.21SC..Hα-helixtrans-56.9-30.5174.2-163.6-170.5-175.3171.70112.8L348 S349 E350 K354 L358 G359 D360 I361L348-K352 PolarHBondContact O-N 3.44Å; S349-K352 PolarHBondContact O-N 3.42Å; E350-K352 VanDerWaalsContact C-N 3.29Å; E350-K352 PolarHBondContact O-N 3.46Å; K352-K354 VanDerWaalsContact C-N 3.34Å; K352-L358 HydrophobicContact CB-CB 4.39Å; K352-L358 HydrophobicContact CG-CB 4.11Å; K352-L358 WeakPolarHBondContact CG-O 3.5Å; K352-G359 WeakPolarHBondContact CE-O 3.06Å; K352-G359 PolarHBondContact NZ-O 2.94Å; K352-D360 IonicContact NZ-OD1 3.89Å; K352-I361 HydrophobicContact CB-CG1 4.02Å; K352-I361 HydrophobicContact CD-CG1 4.05Å; K352-I361 HydrophobicContact CG-CG1 4.24Å
353Q96.4Very high98.2Very high161 Ų16139.8 Ų39.875%0.75220%0.195SC*.Hα-helixtrans-76.5-23.1178.5-60.617145.100112.7S349 E350 Q351S349-Q353 PolarHBondContact O-NE2 2.66Å; E350-Q353 WeakPolarHBondContact O-CB 3.49Å; E350-Q353 PolarHBondContact O-N 2.92Å; E350-Q353 VanDerWaalsContact O-N 3.09Å; Q351-Q353 PolarHBondContact O-N 2.97Å
354K96.9Very high98.1Very high92 Ų9238.2 Ų38.240%0.419%0.192SC..Hα-helixtrans-93.6-30.6-179.6-56.9-174.6-159.2146.50114Q351 K352 D431 T445Q351-K354 VanDerWaalsContact NE2-NZ 3.14Å; Q351-K354 PolarHBondContact O-N 2.9Å; K352-K354 VanDerWaalsContact C-N 3.34Å; K354-D431 IonicContact NZ-OD2 2.76Å; K354-D431 PolarHBondContact NZ-OD2 3.47Å; K354-T445 WeakPolarHBondContact O-CG2 3.29Å
355H98.1Very high98.1Very high6 Ų638.2 Ų38.23%0.02819%0.192CC..  trans-115.5106.7-166.8-66-59.1000112.3Q351 L357 L358 D431 L434 T435 E438Q351-H355 PolarHBondContact O-CD2 2.59Å; Q351-H355 PolarHBondContact O-N 2.87Å; Q351-H355 PolarHBondContact OE1-NE2 3.17Å; H355-L357 PolarHBondContact O-N 3.44Å; H355-L357 VanDerWaalsContact O-N 3.09Å; H355-L358 HydrophobicContact CB-CD1 4.1Å; H355-L358 HydrophobicContact CB-CG 3.88Å; H355-L358 PolarHBondContact O-N 2.85Å; H355-D431 PolarHBondContact CE1-O 3.19Å; H355-D431 IonicContact CE1-OD1 2.78Å; H355-D431 IonicContact NE2-OD1 2.73Å; H355-L434 HydrophobicContact CB-CB 4.41Å; H355-L434 HydrophobicContact CB-CD1 3.96Å; H355-L434 WeakPolarHBondContact ND1-CB 3.44Å; H355-T435 PolarHBondContact CE1-OG1 3.42Å; H355-E438 VanDerWaalsContact C-OE1 3.28Å; H355-E438 WeakPolarHBondContact CA-OE1 3.39Å; H355-E438 WeakPolarHBondContact CB-OE1 3.5Å; H355-E438 IonicContact CE1-OE2 2.69Å; H355-E438 IonicContact CG-OE2 3.98Å; H355-E438 IonicContact ND1-OE1 2.67Å; H355-E438 IonicContact ND1-OE2 3.57Å; H355-E438 PolarHBondContact ND1-OE2 3.36Å
356P96.9Very high98.1Very high31 Ų3136.8 Ų36.820%0.20119%0.185CC..THydrogen-bonded Turntrans-57-20.917523.6-36.2000114.1L358 Q376 E438 M443P356-L358 PolarHBondContact O-N 2.95Å; P356-Q376 PolarHBondContact O-NE2 3.24Å; P356-E438 VanDerWaalsContact CD-CD 3.49Å; P356-E438 WeakPolarHBondContact CD-OE1 3.32Å; P356-E438 HydrophobicContact CG-CG 4.38Å; P356-E438 WeakPolarHBondContact CG-OE1 3.29Å; P356-E438 VanDerWaalsContact N-OE1 3.13Å; P356-M443 HydrophobicContact CG-CB 4.17Å
357L97.9Very high98.1Very high0 Ų031.2 Ų31.20%016%0.159CC..THydrogen-bonded Turntrans-65.4-22.2171.7-77174.9000113.8H355 G359 L372 V373 A382 E385 L434 I437 E438 M443H355-L357 PolarHBondContact O-N 3.44Å; H355-L357 VanDerWaalsContact O-N 3.09Å; L357-G359 PolarHBondContact O-N 3.26Å; L357-L372 CarbonylContact O-C 3.47Å; L357-L372 WeakPolarHBondContact O-CA 3.35Å; L357-V373 WeakPolarHBondContact CA-O 3.12Å; L357-V373 PolarHBondContact O-N 2.87Å; L357-A382 HydrophobicContact CD2-CB 4.2Å; L357-E385 HydrophobicContact CD2-CB 4.5Å; L357-E385 HydrophobicContact CD2-CG 4.22Å; L357-L434 HydrophobicContact CB-CD2 4.17Å; L357-L434 HydrophobicContact CD1-CD2 3.84Å; L357-I437 HydrophobicContact CD1-CB 4.23Å; L357-I437 HydrophobicContact CD1-CG2 3.72Å; L357-E438 WeakPolarHBondContact CB-OE1 3.3Å; L357-E438 HydrophobicContact CD1-CG 3.64Å; L357-E438 HydrophobicContact CG-CG 3.84Å; L357-E438 WeakPolarHBondContact CG-OE1 3.17Å; L357-E438 PolarHBondContact N-OE1 3.33Å; L357-M443 HydrophobicContact CD2-CE 4.26Å; L357-M443 HydrophobicContact CD2-SD 3.59Å; L357-M443 VanDerWaalsContact CD2-SD 3.59Å; L357-M443 HydrophobicContact CG-SD 3.99Å
358L98.4Very high98.1Very high1 Ų130.6 Ų30.61%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-88.399-176.4-61.6-171.2000111.2Q351 K352 H355 P356 I361 V370 L372 Q376 L434Q351-L358 HydrophobicContact CB-CD1 3.87Å; K352-L358 HydrophobicContact CB-CB 4.39Å; K352-L358 HydrophobicContact CG-CB 4.11Å; K352-L358 WeakPolarHBondContact CG-O 3.5Å; H355-L358 HydrophobicContact CB-CD1 4.1Å; H355-L358 HydrophobicContact CB-CG 3.88Å; H355-L358 PolarHBondContact O-N 2.85Å; P356-L358 PolarHBondContact O-N 2.95Å; L358-I361 HydrophobicContact CD1-CD1 4.47Å; L358-V370 HydrophobicContact CD2-CG1 3.49Å; L358-V370 VanDerWaalsContact CD2-CG1 3.49Å; L358-L372 HydrophobicContact CD2-CD1 4.2Å; L358-L372 HydrophobicContact CD2-CG 4.1Å; L358-Q376 PolarHBondContact O-NE2 3.07Å; L358-L434 HydrophobicContact CD1-CD1 3.85Å; L358-L434 HydrophobicContact CD2-CD1 3.84Å; L358-L434 HydrophobicContact CG-CD1 3.88Å
359G98.3Very high98.1Very high1 Ų130.6 Ų30.61%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-80.1-44.5-177.900000113.5Y175 K352 L357 D371Y175-G359 VanDerWaalsContact OH-C 3.24Å; Y175-G359 WeakPolarHBondContact OH-CA 3.35Å; Y175-G359 PolarHBondContact OH-O 2.77Å; K352-G359 WeakPolarHBondContact CE-O 3.06Å; K352-G359 PolarHBondContact NZ-O 2.94Å; L357-G359 PolarHBondContact O-N 3.26Å; G359-D371 WeakPolarHBondContact CA-O 3.31Å; G359-D371 PolarHBondContact N-O 2.95Å
360D98.5Very high98.1Very high30 Ų3028.1 Ų28.116%0.1614%0.138CC..EExtended strand (participates in β ladder)trans-147.8146.9179.2-172.442.1000113.5Y175 K352 R362 V370 D371Y175-D360 HydrophobicContact CD1-CB 3.78Å; Y175-D360 HydrophobicContact CD2-CB 3.71Å; Y175-D360 HydrophobicContact CE1-CB 3.83Å; Y175-D360 HydrophobicContact CE2-CB 3.76Å; Y175-D360 HydrophobicContact CG-CB 3.72Å; K352-D360 IonicContact NZ-OD1 3.89Å; D360-R362 WeakPolarHBondContact OD2-CD 3.41Å; D360-R362 IonicContact OD2-CZ 2.68Å; D360-R362 IonicContact OD2-NE 2.61Å; D360-R362 IonicContact OD2-NH1 3.24Å; D360-R362 PolarHBondContact OD2-NH1 3.17Å; D360-V370 WeakPolarHBondContact O-CA 3.29Å; D360-D371 HydrophobicContact CB-CB 3.96Å; D360-D371 PolarHBondContact N-O 3.48Å; D360-D371 PolarHBondContact O-N 3.48Å
361I98.5Very high98.1Very high23 Ų2323.7 Ų23.712%0.11812%0.118CC..EExtended strand (participates in β ladder)trans-126.8113.7176.2-50.8-62.4000106.4L345 L348 K352 L358 V370L345-I361 HydrophobicContact CD2-CG2 4.04Å; L348-I361 HydrophobicContact CB-CD1 4.23Å; L348-I361 HydrophobicContact CB-CG2 3.75Å; L348-I361 HydrophobicContact CD1-CG2 4.49Å; K352-I361 HydrophobicContact CB-CG1 4.02Å; K352-I361 HydrophobicContact CD-CG1 4.05Å; K352-I361 HydrophobicContact CG-CG1 4.24Å; L358-I361 HydrophobicContact CD1-CD1 4.47Å; I361-V370 HydrophobicContact CD1-CB 4.1Å; I361-V370 HydrophobicContact CD1-CG1 3.63Å; I361-V370 HydrophobicContact CD1-CG2 3.8Å
362R98.1Very high98.1Very high24 Ų2423.5 Ų23.59%0.09112%0.116CC..EExtended strand (participates in β ladder)trans-139.6143.5-175.656.6178.8173.2-90.20.5111.2G221 Q222 D360 V368 G369 D371G221-R362 PolarHBondContact O-NE 2.83Å; G221-R362 PolarHBondContact O-NH2 3.25Å; Q222-R362 WeakPolarHBondContact O-CD 3.38Å; Q222-R362 PolarHBondContact O-NE 2.89Å; D360-R362 WeakPolarHBondContact OD2-CD 3.41Å; D360-R362 IonicContact OD2-CZ 2.68Å; D360-R362 IonicContact OD2-NE 2.61Å; D360-R362 IonicContact OD2-NH1 3.24Å; D360-R362 PolarHBondContact OD2-NH1 3.17Å; R362-V368 CarbonylContact O-C 3.47Å; R362-V368 WeakPolarHBondContact O-CA 3.4Å; R362-G369 PolarHBondContact N-O 3.34Å; R362-G369 PolarHBondContact O-N 3.31Å; R362-D371 IonicContact CZ-OD2 1.88Å; R362-D371 IonicContact NH1-OD2 2.65Å; R362-D371 PolarHBondContact NH1-OD2 3.04Å; R362-D371 VanDerWaalsContact NH1-OD2 3.16Å; R362-D371 IonicContact NH2-OD2 3.15Å; R362-D371 PolarHBondContact NH2-OD2 3.25Å
363G97.8Very high98.2Very high14 Ų1419.8 Ų19.814%0.14410%0.1CC..EExtended strand (participates in β ladder)trans165.6167.6178.300000112.5F367G363-F367 WeakPolarHBondContact CA-O 3.46Å
364V98.1Very high98.2Very high29 Ų2916.4 Ų16.418%0.1768%0.083CC..EExtended strand (participates in β ladder)trans-141.2132.3169.9-163.70000107.9M216 I224 V256 L265 F367M216-V364 HydrophobicContact SD-CG2 4.41Å; I224-V364 HydrophobicContact CD1-CG2 3.75Å; I224-V364 HydrophobicContact CG1-CG2 4.46Å; V256-V364 HydrophobicContact CB-CB 4.41Å; V256-V364 HydrophobicContact CB-CG1 4.27Å; V256-V364 WeakPolarHBondContact O-CG1 3.47Å; L265-V364 HydrophobicContact CD1-CB 4.27Å; L265-V364 HydrophobicContact CD1-CG1 4.33Å; L265-V364 HydrophobicContact CD1-CG2 4.1Å; L265-V364 HydrophobicContact CD2-CG1 4.11Å; V364-F367 PolarHBondContact N-O 3.39Å; V364-F367 PolarHBondContact O-N 2.76Å
365G98.6Very high98.1Very high1 Ų114 Ų141%0.018%0.075CC..THydrogen-bonded Turntrans58.1-138.7-174.100000112.3A337 G341 F367A337-G365 CarbonylContact O-C 3.46Å; A337-G365 VanDerWaalsContact O-CA 3.27Å; A337-G365 WeakPolarHBondContact O-CA 3.48Å; G341-G365 VanDerWaalsContact CA-O 3.23Å; G341-G365 WeakPolarHBondContact CA-O 3.23Å; G365-F367 PolarHBondContact O-N 2.88Å
366L98.8Very high97.9Very high0 Ų017.6 Ų17.60%09%0.092CC..THydrogen-bonded Turntrans-90.442.9178.5-70.2171.6000112.5R255 A337 V340 K413 P414 M416 F418R255-L366 VanDerWaalsContact CD-O 3.25Å; R255-L366 WeakPolarHBondContact CD-O 3.35Å; R255-L366 PolarHBondContact O-N 2.93Å; A337-L366 HydrophobicContact CB-CB 4.4Å; A337-L366 HydrophobicContact CB-CD1 3.99Å; A337-L366 HydrophobicContact CB-CG 4.05Å; V340-L366 HydrophobicContact CB-CD2 4.35Å; V340-L366 HydrophobicContact CG1-CD2 4.13Å; L366-K413 WeakPolarHBondContact O-CA 3.42Å; L366-P414 HydrophobicContact CB-CG 4.45Å; L366-P414 HydrophobicContact CD2-CG 4.04Å; L366-M416 HydrophobicContact CD1-SD 4.32Å; L366-F418 HydrophobicContact CD1-CB 4.44Å; L366-F418 HydrophobicContact CD2-CD1 4.35Å
367F98.6Very high97.8Very high1 Ų124.4 Ų24.40%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-136.591.6171.7-171.9-92.7000108.9M216 Q222 V251 R255 G363 V364 G365 K413M216-F367 HydrophobicContact CB-CD1 4.32Å; M216-F367 HydrophobicContact CB-CE1 3.71Å; M216-F367 HydrophobicContact CB-CZ 4.35Å; M216-F367 HydrophobicContact CE-CB 3.95Å; M216-F367 HydrophobicContact CE-CD1 3.32Å; M216-F367 HydrophobicContact CE-CE1 3.83Å; M216-F367 HydrophobicContact CE-CG 3.73Å; M216-F367 HydrophobicContact SD-CD1 4.05Å; M216-F367 HydrophobicContact SD-CE1 4.38Å; Q222-F367 HydrophobicContact CB-CE1 4.21Å; Q222-F367 VanDerWaalsContact NE2-CE2 3.33Å; V251-F367 HydrophobicContact CG1-CD1 4.33Å; V251-F367 HydrophobicContact CG1-CD2 3.71Å; V251-F367 HydrophobicContact CG1-CE1 4.13Å; V251-F367 HydrophobicContact CG1-CE2 3.48Å; V251-F367 VanDerWaalsContact CG1-CE2 3.48Å; V251-F367 HydrophobicContact CG1-CG 4.11Å; V251-F367 HydrophobicContact CG1-CZ 3.68Å; R255-F367 HydrophobicContact CG-CB 4.05Å; G363-F367 WeakPolarHBondContact CA-O 3.46Å; V364-F367 PolarHBondContact N-O 3.39Å; V364-F367 PolarHBondContact O-N 2.76Å; G365-F367 PolarHBondContact O-N 2.88Å; F367-K413 HydrophobicContact CD2-CB 4.39Å
368V98.8Very high97.7Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-126.2140.5-171.3-179.30000110.8L344 L345 L348 R362 F412L344-V368 HydrophobicContact CD2-CB 4.48Å; L344-V368 HydrophobicContact CD2-CG2 4.23Å; L345-V368 HydrophobicContact CD2-CB 4.41Å; L345-V368 HydrophobicContact CD2-CG1 3.65Å; L345-V368 HydrophobicContact CD2-CG2 3.87Å; L345-V368 HydrophobicContact CG-CG2 4Å; L348-V368 HydrophobicContact CD1-CG1 3.83Å; R362-V368 CarbonylContact O-C 3.47Å; R362-V368 WeakPolarHBondContact O-CA 3.4Å; V368-F412 HydrophobicContact CB-CB 4.16Å; V368-F412 HydrophobicContact CB-CD2 4.47Å; V368-F412 HydrophobicContact CG1-CD2 4.49Å; V368-F412 PolarHBondContact N-O 3.39Å; V368-F412 PolarHBondContact O-N 3.02Å
369G98.5Very high97.6Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-120.3138.4173.600000111.5R362 L410R362-G369 PolarHBondContact N-O 3.34Å; R362-G369 PolarHBondContact O-N 3.31Å; G369-L410 WeakPolarHBondContact CA-O 3.26Å
370V98.7Very high97.6Very high1 Ų135.7 Ų35.71%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-123109.7176174.90000107.3L348 L358 D360 I361 L372 I409 L410 F412L348-V370 HydrophobicContact CD1-CG2 3.72Å; L348-V370 HydrophobicContact CD2-CG2 3.93Å; L348-V370 HydrophobicContact CG-CG2 4.34Å; L358-V370 HydrophobicContact CD2-CG1 3.49Å; L358-V370 VanDerWaalsContact CD2-CG1 3.49Å; D360-V370 WeakPolarHBondContact O-CA 3.29Å; I361-V370 HydrophobicContact CD1-CB 4.1Å; I361-V370 HydrophobicContact CD1-CG1 3.63Å; I361-V370 HydrophobicContact CD1-CG2 3.8Å; V370-L372 HydrophobicContact CG1-CD1 3.94Å; V370-L372 VanDerWaalsContact O-CD1 3.3Å; V370-L372 WeakPolarHBondContact O-CD1 3.11Å; V370-I409 CarbonylContact O-C 3.57Å; V370-I409 VanDerWaalsContact O-CA 3.26Å; V370-I409 WeakPolarHBondContact O-CA 3.24Å; V370-L410 HydrophobicContact CB-CB 4.19Å; V370-L410 HydrophobicContact CG1-CD1 4.44Å; V370-L410 PolarHBondContact N-O 3.09Å; V370-L410 PolarHBondContact O-N 2.92Å; V370-F412 HydrophobicContact CG2-CD2 4.36Å; V370-F412 HydrophobicContact CG2-CE2 3.78Å
371D98.6Very high97.6Very high0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-93.4107.2-170-160.6-44.4000110.6Y175 R176 G359 D360 R362 N408 I409Y175-D371 HydrophobicContact CE1-CB 4.27Å; R176-D371 IonicContact CZ-OD1 2.85Å; R176-D371 IonicContact CZ-OD2 2.74Å; R176-D371 IonicContact NH1-OD1 2.79Å; R176-D371 PolarHBondContact NH1-OD1 3.17Å; R176-D371 IonicContact NH1-OD2 3.54Å; R176-D371 PolarHBondContact NH1-OD2 2.99Å; R176-D371 IonicContact NH2-OD1 2.72Å; R176-D371 PolarHBondContact NH2-OD1 3.01Å; R176-D371 IonicContact NH2-OD2 2.66Å; G359-D371 WeakPolarHBondContact CA-O 3.31Å; G359-D371 PolarHBondContact N-O 2.95Å; D360-D371 HydrophobicContact CB-CB 3.96Å; D360-D371 PolarHBondContact N-O 3.48Å; D360-D371 PolarHBondContact O-N 3.48Å; R362-D371 IonicContact CZ-OD2 1.88Å; R362-D371 IonicContact NH1-OD2 2.65Å; R362-D371 PolarHBondContact NH1-OD2 3.04Å; R362-D371 VanDerWaalsContact NH1-OD2 3.16Å; R362-D371 IonicContact NH2-OD2 3.15Å; R362-D371 PolarHBondContact NH2-OD2 3.25Å; D371-N408 PolarHBondContact OD1-ND2 2.89Å; D371-I409 HydrophobicContact CB-CG1 3.88Å; D371-I409 VanDerWaalsContact CG-CG1 3.45Å; D371-I409 WeakPolarHBondContact OD2-CD1 3.36Å; D371-I409 WeakPolarHBondContact OD2-CG1 3.2Å
372L98.8Very high97.6Very high0 Ų034.6 Ų34.60%017%0.169CC..EExtended strand (participates in β ladder)trans-87.1130-176.2-73.969.6000111.1L357 L358 V370 A382 A386 L389 N408 L410 L434L357-L372 CarbonylContact O-C 3.47Å; L357-L372 WeakPolarHBondContact O-CA 3.35Å; L358-L372 HydrophobicContact CD2-CD1 4.2Å; L358-L372 HydrophobicContact CD2-CG 4.1Å; V370-L372 HydrophobicContact CG1-CD1 3.94Å; V370-L372 VanDerWaalsContact O-CD1 3.3Å; V370-L372 WeakPolarHBondContact O-CD1 3.11Å; L372-A382 HydrophobicContact CB-CB 3.9Å; L372-A382 WeakPolarHBondContact O-CB 3.27Å; L372-A382 PolarHBondContact O-N 2.83Å; L372-A386 HydrophobicContact CD2-CB 4.16Å; L372-L389 HydrophobicContact CD2-CD2 4.05Å; L372-N408 PolarHBondContact N-O 3.13Å; L372-N408 PolarHBondContact O-ND2 3.37Å; L372-L410 HydrophobicContact CD1-CD1 3.86Å; L372-L410 HydrophobicContact CD1-CG 3.67Å; L372-L434 HydrophobicContact CD2-CD2 4.29Å
373V98.5Very high97.6Very high0 Ų036.1 Ų36.10%018%0.182CC..BIsolated β-bridgetrans-129.5147.4-177.8-58.90000111.9Y175 L357 R379 T380Y175-V373 HydrophobicContact CE1-CG1 4.31Å; L357-V373 WeakPolarHBondContact CA-O 3.12Å; L357-V373 PolarHBondContact O-N 2.87Å; V373-R379 HydrophobicContact CG1-CB 4.42Å; V373-T380 CarbonylContact C-O 3.6Å; V373-T380 WeakPolarHBondContact CA-O 3.43Å
374K97Very high97.6Very high90 Ų9038.5 Ų38.539%0.39120%0.2SC..SBendtrans-84.8-17.2174.6-57.7175.5-175.8-81.30113.1T380 P381 A382 E385 M443K374-T380 HydrophobicContact CD-CG2 4.42Å; K374-T380 PolarHBondContact N-O 2.85Å; K374-P381 WeakPolarHBondContact CE-O 3.35Å; K374-A382 HydrophobicContact CG-CB 3.86Å; K374-E385 IonicContact NZ-OE1 3.42Å; K374-E385 PolarHBondContact NZ-OE1 2.8Å; K374-E385 IonicContact NZ-OE2 2.68Å; K374-E385 PolarHBondContact NZ-OE2 3.14Å; K374-M443 HydrophobicContact CB-CE 4.1Å
375D94.9Very high97.6Very high43 Ų4338.2 Ų38.223%0.2320%0.196CC..  trans-152.3119.8-173.7179-40.8000107.2Q377 K378 R379 T380D375-Q377 WeakPolarHBondContact OD1-CA 3.41Å; D375-Q377 PolarHBondContact OD1-N 3.26Å; D375-K378 HydrophobicContact CB-CB 4.19Å; D375-K378 PolarHBondContact OD1-N 3.06Å; D375-K378 WeakPolarHBondContact OD2-CG 3.49Å; D375-K378 IonicContact OD2-NZ 3.39Å; D375-K378 PolarHBondContact OD2-NZ 2.95Å; D375-R379 VanDerWaalsContact O-CA 3.22Å; D375-R379 WeakPolarHBondContact O-CA 3.27Å; D375-R379 PolarHBondContact O-N 3.42Å; D375-T380 PolarHBondContact O-N 3.13Å
376Q94.4Very high97.6Very high80 Ų8038.1 Ų38.137%0.37420%0.196SC..THydrogen-bonded Turntrans-69.5-33.5-176.3-71.5-76.2-17.600112.9P356 L358P356-Q376 PolarHBondContact O-NE2 3.24Å; L358-Q376 PolarHBondContact O-NE2 3.07Å
377Q93.5Very high97.5Very high175 Ų17542.8 Ų42.882%0.81822%0.22SC*.THydrogen-bonded Turntrans-76-45.1180-63.1-178-4.600110.9D375D375-Q377 WeakPolarHBondContact OD1-CA 3.41Å; D375-Q377 PolarHBondContact OD1-N 3.26Å
378K95.8Very high97.4Very high145 Ų14547.3 Ų47.363%0.6324%0.241SC*.THydrogen-bonded Turntrans-84-13.4-179.3-57.8-170-167.2930113.5D375 T380D375-K378 HydrophobicContact CB-CB 4.19Å; D375-K378 PolarHBondContact OD1-N 3.06Å; D375-K378 WeakPolarHBondContact OD2-CG 3.49Å; D375-K378 IonicContact OD2-NZ 3.39Å; D375-K378 PolarHBondContact OD2-NZ 2.95Å; K378-T380 WeakPolarHBondContact CB-OG1 3.48Å; K378-T380 PolarHBondContact O-N 2.76Å; K378-T380 VanDerWaalsContact O-N 3.16Å
379R97.4Very high97.4Very high37 Ų3747.3 Ų47.314%0.1424%0.241CC..THydrogen-bonded Turntrans53.131.8-176.1-53.2179.1-176.2-178.3-4.8112.8Y175 R176 E181 V373 D375 P381Y175-R379 HydrophobicContact CE1-CB 4.22Å; Y175-R379 HydrophobicContact CE1-CG 4.3Å; Y175-R379 HydrophobicContact CE2-CG 4.15Å; Y175-R379 VanDerWaalsContact O-CD 3.23Å; Y175-R379 WeakPolarHBondContact O-CD 3.29Å; Y175-R379 PolarHBondContact O-NH1 3.46Å; R176-R379 PolarHBondContact NH2-O 2.96Å; E181-R379 VanDerWaalsContact CD-NH2 3.32Å; E181-R379 IonicContact OE1-CZ 2.78Å; E181-R379 IonicContact OE1-NH1 3.43Å; E181-R379 PolarHBondContact OE1-NH1 3.31Å; E181-R379 IonicContact OE1-NH2 3.85Å; E181-R379 PolarHBondContact OE1-NH2 3.02Å; E181-R379 IonicContact OE2-CZ 3.92Å; E181-R379 IonicContact OE2-NH1 3.85Å; E181-R379 PolarHBondContact OE2-NH1 3.29Å; E181-R379 IonicContact OE2-NH2 3.61Å; E181-R379 PolarHBondContact OE2-NH2 2.66Å; V373-R379 HydrophobicContact CG1-CB 4.42Å; D375-R379 VanDerWaalsContact O-CA 3.22Å; D375-R379 WeakPolarHBondContact O-CA 3.27Å; D375-R379 PolarHBondContact O-N 3.42Å; R379-P381 WeakPolarHBondContact O-CD 3.31Å
380T97.9Very high97.3Very high56 Ų5648 Ų4834%0.34424%0.244SC..  trans-66120.5-173.2-59.80000110.2V373 K374 D375 K378 A382V373-T380 CarbonylContact C-O 3.6Å; V373-T380 WeakPolarHBondContact CA-O 3.43Å; K374-T380 HydrophobicContact CD-CG2 4.42Å; K374-T380 PolarHBondContact N-O 2.85Å; D375-T380 PolarHBondContact O-N 3.13Å; K378-T380 WeakPolarHBondContact CB-OG1 3.48Å; K378-T380 PolarHBondContact O-N 2.76Å; K378-T380 VanDerWaalsContact O-N 3.16Å; T380-A382 PolarHBondContact O-N 3.42Å
381P98.4Very high97.3Very high30 Ų3050.4 Ų50.420%0.19525%0.254CS..BIsolated β-bridgetrans-56.6130.9-174.1-28.835.8000115K374 R379 T383 H406 N408K374-P381 WeakPolarHBondContact CE-O 3.35Å; R379-P381 WeakPolarHBondContact O-CD 3.31Å; P381-T383 VanDerWaalsContact C-N 3.33Å; P381-T383 PolarHBondContact O-N 3.38Å; P381-H406 HydrophobicContact CB-CB 3.59Å; P381-H406 HydrophobicContact CG-CB 3.63Å; P381-H406 WeakPolarHBondContact CG-CD2 3.49Å; P381-H406 VanDerWaalsContact CG-CG 3.5Å; P381-N408 HydrophobicContact CB-CB 3.95Å
382A98.3Very high97.2Very high0 Ų053.2 Ų53.20%027%0.266CS..  trans-92.958.5173.300000111.5L357 L372 K374 T380 A384 E385 A386L357-A382 HydrophobicContact CD2-CB 4.2Å; L372-A382 HydrophobicContact CB-CB 3.9Å; L372-A382 WeakPolarHBondContact O-CB 3.27Å; L372-A382 PolarHBondContact O-N 2.83Å; K374-A382 HydrophobicContact CG-CB 3.86Å; T380-A382 PolarHBondContact O-N 3.42Å; A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.5Å; A382-E385 VanDerWaalsContact CA-OE2 3.28Å; A382-E385 WeakPolarHBondContact CA-OE2 3.49Å; A382-E385 HydrophobicContact CB-CB 3.97Å; A382-E385 HydrophobicContact CB-CG 4.16Å; A382-E385 PolarHBondContact O-N 3.47Å; A382-A386 WeakPolarHBondContact O-CB 3.41Å; A382-A386 PolarHBondContact O-N 2.9Å
383T98.1Very high97.2Very high57 Ų5753.2 Ų53.235%0.3527%0.266SS..Hα-helixtrans-60.9-36.8-174.9-53.10000113.8P381 L387 H406 R407P381-T383 VanDerWaalsContact C-N 3.33Å; P381-T383 PolarHBondContact O-N 3.38Å; T383-L387 WeakPolarHBondContact O-CB 3.44Å; T383-L387 PolarHBondContact O-N 2.87Å; T383-H406 WeakPolarHBondContact CB-O 3.07Å; T383-H406 WeakPolarHBondContact CG2-O 3.49Å; T383-H406 PolarHBondContact OG1-O 3Å; T383-R407 HydrophobicContact CG2-CB 4.3Å
384A97.5Very high97.2Very high64 Ų6453.9 Ų53.953%0.52927%0.269SS..Hα-helixtrans-75.3-39.3-177.800000110.9A382 L387 H388A382-A384 VanDerWaalsContact C-N 3.33Å; A382-A384 PolarHBondContact O-N 3.5Å; A384-L387 PolarHBondContact O-N 3.46Å; A384-H388 WeakPolarHBondContact O-CB 3.16Å; A384-H388 PolarHBondContact O-N 3.15Å
385E98.1Very high97.2Very high22 Ų2254.8 Ų54.810%0.10328%0.275CS..Hα-helixtrans-65.2-48.9176.9-61.480.617300110.8L357 K374 A382 L387 H388 L389 I437L357-E385 HydrophobicContact CD2-CB 4.5Å; L357-E385 HydrophobicContact CD2-CG 4.22Å; K374-E385 IonicContact NZ-OE1 3.42Å; K374-E385 PolarHBondContact NZ-OE1 2.8Å; K374-E385 IonicContact NZ-OE2 2.68Å; K374-E385 PolarHBondContact NZ-OE2 3.14Å; A382-E385 VanDerWaalsContact CA-OE2 3.28Å; A382-E385 WeakPolarHBondContact CA-OE2 3.49Å; A382-E385 HydrophobicContact CB-CB 3.97Å; A382-E385 HydrophobicContact CB-CG 4.16Å; A382-E385 PolarHBondContact O-N 3.47Å; E385-L387 VanDerWaalsContact C-N 3.31Å; E385-L387 PolarHBondContact O-N 3.04Å; E385-H388 PolarHBondContact O-N 3.04Å; E385-H388 VanDerWaalsContact O-N 3.15Å; E385-L389 WeakPolarHBondContact O-CB 3.32Å; E385-L389 PolarHBondContact O-N 2.86Å; E385-I437 HydrophobicContact CB-CG2 4.44Å; E385-I437 HydrophobicContact CG-CG2 4.16Å
386A98.3Very high97.4Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-59-40.7174.500000112.3L372 A382 I390L372-A386 HydrophobicContact CD2-CB 4.16Å; A382-A386 WeakPolarHBondContact O-CB 3.41Å; A382-A386 PolarHBondContact O-N 2.9Å; A386-I390 WeakPolarHBondContact O-CD1 3.4Å; A386-I390 VanDerWaalsContact O-CG1 3.32Å; A386-I390 WeakPolarHBondContact O-CG1 3.37Å; A386-I390 PolarHBondContact O-N 3.3Å; A386-I390 VanDerWaalsContact O-N 3.07Å
387L96.8Very high97.5Very high97 Ų9755.8 Ų55.851%0.50828%0.278SS..Hα-helixtrans-66.4-42.2175.1-175.263.3000111.9T383 A384 E385 I390 Y391T383-L387 WeakPolarHBondContact O-CB 3.44Å; T383-L387 PolarHBondContact O-N 2.87Å; A384-L387 PolarHBondContact O-N 3.46Å; E385-L387 VanDerWaalsContact C-N 3.31Å; E385-L387 PolarHBondContact O-N 3.04Å; L387-I390 PolarHBondContact O-N 3.14Å; L387-Y391 HydrophobicContact CD1-CD2 4.17Å; L387-Y391 HydrophobicContact CD1-CE2 3.82Å; L387-Y391 HydrophobicContact CG-CD2 4.27Å; L387-Y391 HydrophobicContact CG-CE2 4.17Å; L387-Y391 WeakPolarHBondContact O-CD2 3.18Å; L387-Y391 PolarHBondContact O-N 3.44Å
388H97.3Very high97.8Very high97 Ų9747.4 Ų47.445%0.44924%0.239SC..Hα-helixtrans-61.4-50.2177.2-173.684.8000111.1A384 E385 I390 Y391 K392A384-H388 WeakPolarHBondContact O-CB 3.16Å; A384-H388 PolarHBondContact O-N 3.15Å; E385-H388 PolarHBondContact O-N 3.04Å; E385-H388 VanDerWaalsContact O-N 3.15Å; H388-I390 VanDerWaalsContact C-N 3.29Å; H388-I390 PolarHBondContact O-N 2.91Å; H388-Y391 PolarHBondContact O-N 3.26Å; H388-Y391 VanDerWaalsContact O-N 3.07Å; H388-K392 PolarHBondContact O-N 3.01Å
389L97.9Very high97.9Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-57.1-39.9177.5-179.655.4000112.1L372 E385 K392 L393 L410 L433 L434 I437L372-L389 HydrophobicContact CD2-CD2 4.05Å; E385-L389 WeakPolarHBondContact O-CB 3.32Å; E385-L389 PolarHBondContact O-N 2.86Å; L389-K392 PolarHBondContact O-N 3.32Å; L389-L393 HydrophobicContact CD1-CD1 4.21Å; L389-L393 HydrophobicContact CD1-CG 4.13Å; L389-L393 HydrophobicContact CG-CD1 4.11Å; L389-L393 HydrophobicContact CG-CG 4.49Å; L389-L393 WeakPolarHBondContact O-CB 3.47Å; L389-L393 VanDerWaalsContact O-CG 3.32Å; L389-L393 WeakPolarHBondContact O-CG 3.46Å; L389-L393 PolarHBondContact O-N 3.39Å; L389-L410 HydrophobicContact CD2-CD1 3.72Å; L389-L433 HydrophobicContact CD1-CB 3.45Å; L389-L433 VanDerWaalsContact CD1-CB 3.45Å; L389-L433 HydrophobicContact CD1-CD1 3.83Å; L389-L433 HydrophobicContact CD1-CG 4.3Å; L389-L434 HydrophobicContact CD2-CD2 3.85Å; L389-L434 HydrophobicContact CD2-CG 4.3Å; L389-I437 HydrophobicContact CB-CD1 4.13Å
390I97.7Very high97.9Very high13 Ų1339.1 Ų39.17%0.06720%0.204CC..Hα-helixtrans-63.5-40.5175-77.3164.5000112.8F26 A386 L387 H388 K394 S401 A402 L410F26-I390 HydrophobicContact CD1-CG2 4.49Å; F26-I390 HydrophobicContact CE1-CG2 3.7Å; F26-I390 HydrophobicContact CZ-CG2 4.48Å; A386-I390 WeakPolarHBondContact O-CD1 3.4Å; A386-I390 VanDerWaalsContact O-CG1 3.32Å; A386-I390 WeakPolarHBondContact O-CG1 3.37Å; A386-I390 PolarHBondContact O-N 3.3Å; A386-I390 VanDerWaalsContact O-N 3.07Å; L387-I390 PolarHBondContact O-N 3.14Å; H388-I390 VanDerWaalsContact C-N 3.29Å; H388-I390 PolarHBondContact O-N 2.91Å; I390-K394 WeakPolarHBondContact O-CB 3.36Å; I390-K394 PolarHBondContact O-N 3.19Å; I390-K394 VanDerWaalsContact O-N 3.15Å; I390-S401 VanDerWaalsContact CD1-C 3.46Å; I390-A402 HydrophobicContact CD1-CB 3.38Å; I390-L410 HydrophobicContact CD1-CD2 3.85Å; I390-L410 HydrophobicContact CG1-CD2 3.72Å
391Y97.5Very high97.8Very high52 Ų5236.8 Ų36.820%0.20419%0.19CC..Hα-helixtrans-68.5-38.5174.6-84.2-79.8000111.4F26 A27 K28 L387 H388 K394 E395F26-Y391 HydrophobicContact CB-CE1 3.97Å; F26-Y391 HydrophobicContact CD1-CD1 4.14Å; F26-Y391 HydrophobicContact CD1-CE1 4.04Å; A27-Y391 PolarHBondContact N-OH 3.45Å; K28-Y391 HydrophobicContact CB-CE1 4.4Å; L387-Y391 HydrophobicContact CD1-CD2 4.17Å; L387-Y391 HydrophobicContact CD1-CE2 3.82Å; L387-Y391 HydrophobicContact CG-CD2 4.27Å; L387-Y391 HydrophobicContact CG-CE2 4.17Å; L387-Y391 WeakPolarHBondContact O-CD2 3.18Å; L387-Y391 PolarHBondContact O-N 3.44Å; H388-Y391 PolarHBondContact O-N 3.26Å; H388-Y391 VanDerWaalsContact O-N 3.07Å; Y391-K394 PolarHBondContact O-N 2.87Å; Y391-E395 PolarHBondContact O-N 3.23Å
392K97.9Very high97.6Very high59 Ų5936.5 Ų36.526%0.25719%0.19SC..Hα-helixtrans-66.8-42.2176.3-73-56.9-169.9-179.60113.8H388 L389 K394 E395 Q396 L433H388-K392 PolarHBondContact O-N 3.01Å; L389-K392 PolarHBondContact O-N 3.32Å; K392-K394 VanDerWaalsContact C-N 3.26Å; K392-K394 PolarHBondContact O-N 3.38Å; K392-E395 VanDerWaalsContact CD-OE2 3.24Å; K392-E395 WeakPolarHBondContact CD-OE2 3.34Å; K392-E395 IonicContact NZ-OE1 2.66Å; K392-E395 IonicContact NZ-OE2 3.98Å; K392-E395 PolarHBondContact NZ-OE2 3.24Å; K392-E395 WeakPolarHBondContact O-CB 3.29Å; K392-E395 PolarHBondContact O-N 3.43Å; K392-E395 VanDerWaalsContact O-N 3.15Å; K392-Q396 WeakPolarHBondContact O-CG 3.23Å; K392-Q396 PolarHBondContact O-N 3.08Å; K392-L433 HydrophobicContact CB-CD1 3.71Å; K392-L433 HydrophobicContact CB-CD2 3.78Å; K392-L433 HydrophobicContact CB-CG 4.33Å; K392-L433 HydrophobicContact CG-CD2 4.22Å
393L98.3Very high97.4Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-59.4-40171.2-73.3168.9000111.2L389 E395 Q396 Q397 I398 L400 K429 I430 L433L389-L393 HydrophobicContact CD1-CD1 4.21Å; L389-L393 HydrophobicContact CD1-CG 4.13Å; L389-L393 HydrophobicContact CG-CD1 4.11Å; L389-L393 HydrophobicContact CG-CG 4.49Å; L389-L393 WeakPolarHBondContact O-CB 3.47Å; L389-L393 VanDerWaalsContact O-CG 3.32Å; L389-L393 WeakPolarHBondContact O-CG 3.46Å; L389-L393 PolarHBondContact O-N 3.39Å; L393-E395 PolarHBondContact O-N 3.46Å; L393-Q396 CarbonylContact O-C 2.94Å; L393-Q396 VanDerWaalsContact O-CA 3.31Å; L393-Q396 WeakPolarHBondContact O-CA 3.37Å; L393-Q396 WeakPolarHBondContact O-CB 3.44Å; L393-Q396 PolarHBondContact O-N 3.24Å; L393-Q397 PolarHBondContact O-N 3.38Å; L393-I398 CarbonylContact C-O 3.42Å; L393-I398 HydrophobicContact CB-CB 4.18Å; L393-I398 HydrophobicContact CB-CG2 4.32Å; L393-I398 HydrophobicContact CD2-CB 4.4Å; L393-I398 HydrophobicContact CD2-CD1 4.14Å; L393-I398 HydrophobicContact CD2-CG2 4.36Å; L393-I398 WeakPolarHBondContact O-CA 3.49Å; L393-I398 PolarHBondContact O-N 2.8Å; L393-L400 HydrophobicContact CD1-CB 4.25Å; L393-L400 HydrophobicContact CD1-CD1 4.44Å; L393-L400 HydrophobicContact CD1-CD2 4.44Å; L393-K429 HydrophobicContact CD2-CB 4.06Å; L393-I430 HydrophobicContact CD1-CD1 4.37Å; L393-I430 HydrophobicContact CD1-CG1 4.03Å; L393-I430 HydrophobicContact CD2-CG1 3.94Å; L393-L433 HydrophobicContact CD2-CD1 3.89Å; L393-L433 HydrophobicContact CG-CD1 4.04Å
394K98.1Very high97.2Very high14 Ų1434.6 Ų34.66%0.06118%0.178CC..Hα-helixtrans-69-30.2176.2179.6-106.1168172.90113.3F26 D29 L31 I390 Y391 K392 Q396 Q397 I398 L399F26-K394 HydrophobicContact CB-CD 4.49Å; F26-K394 HydrophobicContact CD1-CB 4.04Å; F26-K394 HydrophobicContact CD1-CD 3.86Å; F26-K394 HydrophobicContact CD1-CG 3.84Å; F26-K394 HydrophobicContact CD2-CD 4.44Å; F26-K394 HydrophobicContact CD2-CG 4.19Å; F26-K394 HydrophobicContact CE1-CB 3.52Å; F26-K394 HydrophobicContact CE1-CD 4.19Å; F26-K394 HydrophobicContact CE1-CG 3.65Å; F26-K394 HydrophobicContact CE2-CG 4.04Å; F26-K394 HydrophobicContact CG-CD 4Å; F26-K394 HydrophobicContact CG-CG 4.11Å; F26-K394 HydrophobicContact CZ-CB 3.87Å; F26-K394 HydrophobicContact CZ-CG 3.77Å; D29-K394 PolarHBondContact O-NZ 3.12Å; D29-K394 IonicContact OD2-NZ 2.8Å; D29-K394 PolarHBondContact OD2-NZ 2.82Å; L31-K394 HydrophobicContact CD1-CG 4.17Å; L31-K394 VanDerWaalsContact CD2-CE 3.45Å; I390-K394 WeakPolarHBondContact O-CB 3.36Å; I390-K394 PolarHBondContact O-N 3.19Å; I390-K394 VanDerWaalsContact O-N 3.15Å; Y391-K394 PolarHBondContact O-N 2.87Å; K392-K394 VanDerWaalsContact C-N 3.26Å; K392-K394 PolarHBondContact O-N 3.38Å; K394-Q396 VanDerWaalsContact C-N 3.25Å; K394-Q397 PolarHBondContact O-N 2.83Å; K394-I398 WeakPolarHBondContact CA-O 3.48Å; K394-I398 PolarHBondContact N-O 3.23Å; K394-L399 HydrophobicContact CG-CD2 4.15Å
395E97.5Very high97Very high109 Ų10934.2 Ų34.251%0.50917%0.17SC..Hα-helixtrans-67.7-24.6166.7-72.1168.6-157.700112.4Y391 K392 L393 Q397Y391-E395 PolarHBondContact O-N 3.23Å; K392-E395 VanDerWaalsContact CD-OE2 3.24Å; K392-E395 WeakPolarHBondContact CD-OE2 3.34Å; K392-E395 IonicContact NZ-OE1 2.66Å; K392-E395 IonicContact NZ-OE2 3.98Å; K392-E395 PolarHBondContact NZ-OE2 3.24Å; K392-E395 WeakPolarHBondContact O-CB 3.29Å; K392-E395 PolarHBondContact O-N 3.43Å; K392-E395 VanDerWaalsContact O-N 3.15Å; L393-E395 PolarHBondContact O-N 3.46Å; E395-Q397 VanDerWaalsContact C-N 3.35Å
396Q97.9Very high97Very high72 Ų7237 Ų3734%0.33618%0.183SC..THydrogen-bonded Turntrans-96.125.3172.8-59.8-65-69.100112.7K392 L393 K394 I398 K429K392-Q396 WeakPolarHBondContact O-CG 3.23Å; K392-Q396 PolarHBondContact O-N 3.08Å; L393-Q396 CarbonylContact O-C 2.94Å; L393-Q396 VanDerWaalsContact O-CA 3.31Å; L393-Q396 WeakPolarHBondContact O-CA 3.37Å; L393-Q396 WeakPolarHBondContact O-CB 3.44Å; L393-Q396 PolarHBondContact O-N 3.24Å; K394-Q396 VanDerWaalsContact C-N 3.25Å; Q396-I398 PolarHBondContact O-N 2.83Å; Q396-I398 VanDerWaalsContact O-N 3.12Å; Q396-K429 HydrophobicContact CB-CD 4.37Å; Q396-K429 HydrophobicContact CG-CD 4.32Å
397Q98.3Very high96.9Very high72 Ų7244.1 Ų44.134%0.33621%0.21SC..THydrogen-bonded Turntrans56.224.3180-6591.4-17.800115.8E47 K48 Y49 L50 L393 K394 E395E47-Q397 PolarHBondContact OE2-NE2 3.24Å; K48-Q397 WeakPolarHBondContact O-CB 3.28Å; Y49-Q397 CarbonylContact C-O 3.56Å; Y49-Q397 WeakPolarHBondContact CA-O 3.35Å; Y49-Q397 HydrophobicContact CD1-CB 4.01Å; Y49-Q397 HydrophobicContact CD1-CG 4.32Å; Y49-Q397 HydrophobicContact CE1-CB 4.25Å; Y49-Q397 HydrophobicContact CE1-CG 4.11Å; Y49-Q397 HydrophobicContact CG-CB 4.45Å; L50-Q397 PolarHBondContact N-O 3.39Å; L393-Q397 PolarHBondContact O-N 3.38Å; K394-Q397 PolarHBondContact O-N 2.83Å; E395-Q397 VanDerWaalsContact C-N 3.35Å
398I98.6Very high97Very high0 Ų039.5 Ų39.50%019%0.186CC..EExtended strand (participates in β ladder)trans-110.5125175.8-65.7160.3000110.2L50 L393 K394 Q396 L400 V426 K429L50-I398 HydrophobicContact CB-CG1 4.4Å; L393-I398 CarbonylContact C-O 3.42Å; L393-I398 HydrophobicContact CB-CB 4.18Å; L393-I398 HydrophobicContact CB-CG2 4.32Å; L393-I398 HydrophobicContact CD2-CB 4.4Å; L393-I398 HydrophobicContact CD2-CD1 4.14Å; L393-I398 HydrophobicContact CD2-CG2 4.36Å; L393-I398 WeakPolarHBondContact O-CA 3.49Å; L393-I398 PolarHBondContact O-N 2.8Å; K394-I398 WeakPolarHBondContact CA-O 3.48Å; K394-I398 PolarHBondContact N-O 3.23Å; Q396-I398 PolarHBondContact O-N 2.83Å; Q396-I398 VanDerWaalsContact O-N 3.12Å; I398-L400 HydrophobicContact CG2-CD1 3.65Å; I398-V426 HydrophobicContact CD1-CB 4.38Å; I398-V426 HydrophobicContact CD1-CG2 4.38Å; I398-V426 HydrophobicContact CG2-CB 4.42Å; I398-V426 HydrophobicContact CG2-CG2 3.75Å; I398-K429 HydrophobicContact CD1-CB 3.79Å; I398-K429 HydrophobicContact CD1-CG 3.74Å
399L98.6Very high97Very high7 Ų734.9 Ų34.94%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-96.2109178.8-52.6-177.5000110.1F26 L31 M41 Y49 L50 C52 I53 K394F26-L399 HydrophobicContact CE2-CD2 4.02Å; F26-L399 HydrophobicContact CZ-CD2 4.16Å; L31-L399 HydrophobicContact CD1-CD1 4.48Å; L31-L399 HydrophobicContact CD1-CD2 3.47Å; L31-L399 VanDerWaalsContact CD1-CD2 3.47Å; M41-L399 HydrophobicContact SD-CD1 3.77Å; Y49-L399 HydrophobicContact CD1-CD2 3.68Å; Y49-L399 HydrophobicContact CD1-CG 4.2Å; Y49-L399 HydrophobicContact CE1-CD2 4.41Å; Y49-L399 HydrophobicContact CG-CD2 4.33Å; Y49-L399 HydrophobicContact CG-CG 4.45Å; L50-L399 WeakPolarHBondContact O-CB 3.42Å; L50-L399 PolarHBondContact O-N 3.02Å; C52-L399 WeakPolarHBondContact CA-O 3.17Å; C52-L399 VanDerWaalsContact CB-O 3.27Å; C52-L399 WeakPolarHBondContact CB-O 3.29Å; C52-L399 PolarHBondContact N-O 3.14Å; I53-L399 HydrophobicContact CD1-CB 3.94Å; I53-L399 HydrophobicContact CG1-CB 4.32Å; I53-L399 WeakPolarHBondContact CG1-O 3.37Å; K394-L399 HydrophobicContact CG-CD2 4.15Å
400L96.4Very high97Very high0 Ų034.9 Ų34.90%016%0.164CC..  trans-123.4167.9169.1-10792.7000111.7C52 I53 L393 I398 L410 F412 V426C52-L400 HydrophobicContact CB-CD1 3.46Å; C52-L400 VanDerWaalsContact CB-CD1 3.46Å; C52-L400 HydrophobicContact CB-CG 3.97Å; I53-L400 WeakPolarHBondContact CD1-O 3.35Å; L393-L400 HydrophobicContact CD1-CB 4.25Å; L393-L400 HydrophobicContact CD1-CD1 4.44Å; L393-L400 HydrophobicContact CD1-CD2 4.44Å; I398-L400 HydrophobicContact CG2-CD1 3.65Å; L400-L410 HydrophobicContact CD2-CB 3.95Å; L400-F412 HydrophobicContact CD1-CD1 4.36Å; L400-F412 HydrophobicContact CD1-CE1 4.01Å; L400-F412 HydrophobicContact CD2-CD1 4.37Å; L400-F412 HydrophobicContact CD2-CD2 4.33Å; L400-F412 HydrophobicContact CD2-CE1 3.99Å; L400-F412 HydrophobicContact CD2-CE2 3.93Å; L400-F412 HydrophobicContact CD2-CZ 3.76Å; L400-V426 HydrophobicContact CD1-CG2 3.8Å
401S95.5Very high97Very high8 Ų835 Ų356%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-140158.2177.260.10000110.9I390 K411I390-S401 VanDerWaalsContact CD1-C 3.46Å; S401-K411 PolarHBondContact O-N 2.84Å; S401-K411 WeakPolarHBondContact OG-CE 3.45Å
402A95.9Very high97Very high24 Ų2432.5 Ų32.520%0.19816%0.155CC..EExtended strand (participates in β ladder)trans-117.7133.2173.700000111.8I390 R407 I409I390-A402 HydrophobicContact CD1-CB 3.38Å; A402-R407 WeakPolarHBondContact CB-O 3.4Å; A402-I409 CarbonylContact C-O 3.57Å; A402-I409 WeakPolarHBondContact CA-O 3.46Å
403D93.8Very high97Very high17 Ų1730.3 Ų30.39%0.09115%0.145CC..EExtended strand (participates in β ladder)trans-122.8-164.2178-88.238.4000110.1C219 R407 N408 I409 K411C219-D403 WeakPolarHBondContact CA-OD2 3.4Å; C219-D403 PolarHBondContact SG-OD2 3.48Å; C219-D403 VanDerWaalsContact SG-OD2 3.42Å; D403-R407 VanDerWaalsContact O-CA 3.27Å; D403-R407 WeakPolarHBondContact O-CA 3.3Å; D403-N408 PolarHBondContact O-N 3.04Å; D403-I409 PolarHBondContact N-O 3.26Å; D403-I409 PolarHBondContact O-N 2.81Å; D403-K411 HydrophobicContact CB-CD 4.25Å; D403-K411 WeakPolarHBondContact OD1-CE 3.28Å; D403-K411 IonicContact OD1-NZ 3.45Å; D403-K411 PolarHBondContact OD1-NZ 3.27Å; D403-K411 IonicContact OD2-NZ 3.16Å; D403-K411 PolarHBondContact OD2-NZ 3.41Å
404G94.1Very high97Very high0 Ų030.3 Ų30.30%015%0.145CC..THydrogen-bonded Turntrans85.8159.5-17000000112.3C219 H406 R407C219-G404 VanDerWaalsContact O-CA 3.26Å; C219-G404 WeakPolarHBondContact O-CA 3.39Å; C219-G404 PolarHBondContact O-N 3.01Å; G404-H406 PolarHBondContact O-N 3.45Å; G404-R407 PolarHBondContact O-N 3.44Å
405P93.6Very high97Very high56 Ų5629.7 Ų29.736%0.36414%0.142SC..THydrogen-bonded Turntrans-56.9-25.6179.621.8-32.6000113.2
406H96.2Very high97.1Very high81 Ų8124.5 Ų24.538%0.37512%0.118SC..THydrogen-bonded Turntrans-106.23.8179.9-45.8-62000114.2P381 T383 G404 N408P381-H406 HydrophobicContact CB-CB 3.59Å; P381-H406 HydrophobicContact CG-CB 3.63Å; P381-H406 WeakPolarHBondContact CG-CD2 3.49Å; P381-H406 VanDerWaalsContact CG-CG 3.5Å; T383-H406 WeakPolarHBondContact CB-O 3.07Å; T383-H406 WeakPolarHBondContact CG2-O 3.49Å; T383-H406 PolarHBondContact OG1-O 3Å; G404-H406 PolarHBondContact O-N 3.45Å; H406-N408 PolarHBondContact O-N 3.43Å
407R96.6Very high97.1Very high148 Ų14822.3 Ų22.356%0.55811%0.111SC*.THydrogen-bonded Turntrans52.136.9179.9-55.4-172.8-177.2-164.73.9114.8T383 A402 D403 G404T383-R407 HydrophobicContact CG2-CB 4.3Å; A402-R407 WeakPolarHBondContact CB-O 3.4Å; D403-R407 VanDerWaalsContact O-CA 3.27Å; D403-R407 WeakPolarHBondContact O-CA 3.3Å; G404-R407 PolarHBondContact O-N 3.44Å
408N98.4Very high97.2Very high0 Ų018.9 Ų18.90%010%0.095CC..  trans-112.91.1-178.471.8-59.8000113.1D371 L372 P381 D403 H406D371-N408 PolarHBondContact OD1-ND2 2.89Å; L372-N408 PolarHBondContact N-O 3.13Å; L372-N408 PolarHBondContact O-ND2 3.37Å; P381-N408 HydrophobicContact CB-CB 3.95Å; D403-N408 PolarHBondContact O-N 3.04Å; H406-N408 PolarHBondContact O-N 3.43Å
409I98.6Very high97.2Very high1 Ų121.3 Ų21.31%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-104.4106.8-176.5-64.7150.1000108.9Q222 V370 D371 A402 D403Q222-I409 HydrophobicContact CG-CG2 4.45Å; V370-I409 CarbonylContact O-C 3.57Å; V370-I409 VanDerWaalsContact O-CA 3.26Å; V370-I409 WeakPolarHBondContact O-CA 3.24Å; D371-I409 HydrophobicContact CB-CG1 3.88Å; D371-I409 VanDerWaalsContact CG-CG1 3.45Å; D371-I409 WeakPolarHBondContact OD2-CD1 3.36Å; D371-I409 WeakPolarHBondContact OD2-CG1 3.2Å; A402-I409 CarbonylContact C-O 3.57Å; A402-I409 WeakPolarHBondContact CA-O 3.46Å; D403-I409 PolarHBondContact N-O 3.26Å; D403-I409 PolarHBondContact O-N 2.81Å
410L98.4Very high97.2Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-62.4138.4171.3-56.8175.3000108.9G369 V370 L372 L389 I390 L400 I430G369-L410 WeakPolarHBondContact CA-O 3.26Å; V370-L410 HydrophobicContact CB-CB 4.19Å; V370-L410 HydrophobicContact CG1-CD1 4.44Å; V370-L410 PolarHBondContact N-O 3.09Å; V370-L410 PolarHBondContact O-N 2.92Å; L372-L410 HydrophobicContact CD1-CD1 3.86Å; L372-L410 HydrophobicContact CD1-CG 3.67Å; L389-L410 HydrophobicContact CD2-CD1 3.72Å; I390-L410 HydrophobicContact CD1-CD2 3.85Å; I390-L410 HydrophobicContact CG1-CD2 3.72Å; L400-L410 HydrophobicContact CD2-CB 3.95Å; L410-I430 HydrophobicContact CD1-CD1 4.49Å
411K96.9Very high97.3Very high14 Ų1432.9 Ų32.96%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-124.4116.2-170.7174.9175.559175.70110.9Q222 S401 D403 K413Q222-K411 HydrophobicContact CG-CB 4.47Å; Q222-K411 HydrophobicContact CG-CG 4.18Å; Q222-K411 VanDerWaalsContact OE1-CD 3.25Å; S401-K411 PolarHBondContact O-N 2.84Å; S401-K411 WeakPolarHBondContact OG-CE 3.45Å; D403-K411 HydrophobicContact CB-CD 4.25Å; D403-K411 WeakPolarHBondContact OD1-CE 3.28Å; D403-K411 IonicContact OD1-NZ 3.45Å; D403-K411 PolarHBondContact OD1-NZ 3.27Å; D403-K411 IonicContact OD2-NZ 3.16Å; D403-K411 PolarHBondContact OD2-NZ 3.41Å; K411-K413 HydrophobicContact CD-CD 3.9Å; K411-K413 HydrophobicContact CD-CG 4.46Å; K411-K413 HydrophobicContact CG-CD 4.09Å; K411-K413 HydrophobicContact CG-CG 4.16Å
412F97.7Very high97.5Very high1 Ų132.7 Ų32.70%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-100115.8171.9-61.4-99.9000109.1C52 L344 L348 V368 V370 L400 V426 I430C52-F412 HydrophobicContact CB-CD1 4.31Å; L344-F412 HydrophobicContact CD1-CD1 4.49Å; L344-F412 HydrophobicContact CD1-CE1 4.35Å; L344-F412 HydrophobicContact CD2-CB 4.11Å; L344-F412 HydrophobicContact CD2-CD1 4.05Å; L344-F412 HydrophobicContact CD2-CG 4.11Å; L348-F412 HydrophobicContact CD1-CD2 4.47Å; L348-F412 HydrophobicContact CD1-CE2 4.09Å; L348-F412 HydrophobicContact CD1-CZ 4.43Å; L348-F412 HydrophobicContact CD2-CE2 4.49Å; L348-F412 HydrophobicContact CD2-CZ 4.39Å; V368-F412 HydrophobicContact CB-CB 4.16Å; V368-F412 HydrophobicContact CB-CD2 4.47Å; V368-F412 HydrophobicContact CG1-CD2 4.49Å; V368-F412 PolarHBondContact N-O 3.39Å; V368-F412 PolarHBondContact O-N 3.02Å; V370-F412 HydrophobicContact CG2-CD2 4.36Å; V370-F412 HydrophobicContact CG2-CE2 3.78Å; L400-F412 HydrophobicContact CD1-CD1 4.36Å; L400-F412 HydrophobicContact CD1-CE1 4.01Å; L400-F412 HydrophobicContact CD2-CD1 4.37Å; L400-F412 HydrophobicContact CD2-CD2 4.33Å; L400-F412 HydrophobicContact CD2-CE1 3.99Å; L400-F412 HydrophobicContact CD2-CE2 3.93Å; L400-F412 HydrophobicContact CD2-CZ 3.76Å; F412-V426 HydrophobicContact CE1-CB 4.5Å; F412-V426 HydrophobicContact CE1-CG1 3.8Å; F412-V426 HydrophobicContact CE1-CG2 3.8Å; F412-V426 HydrophobicContact CZ-CG2 4.4Å; F412-I430 HydrophobicContact CE1-CD1 4.4Å; F412-I430 HydrophobicContact CZ-CD1 3.64Å
413K97.3Very high97.6Very high13 Ų1331.6 Ų31.66%0.05715%0.153CC..  trans-149.262.7169.458.3-178-17864.60109.8C52 I53 N55 L366 F367 K411C52-K413 CarbonylContact O-C 3.58Å; C52-K413 PolarHBondContact O-N 3.42Å; I53-K413 PolarHBondContact O-NZ 3.22Å; N55-K413 VanDerWaalsContact CA-O 3.28Å; N55-K413 WeakPolarHBondContact CA-O 3.17Å; N55-K413 HydrophobicContact CB-CB 3.87Å; N55-K413 HydrophobicContact CB-CD 4.03Å; N55-K413 HydrophobicContact CB-CG 3.92Å; N55-K413 VanDerWaalsContact CB-O 3.31Å; N55-K413 WeakPolarHBondContact CB-O 3.46Å; N55-K413 PolarHBondContact N-O 2.85Å; N55-K413 PolarHBondContact OD1-NZ 3.48Å; L366-K413 WeakPolarHBondContact O-CA 3.42Å; F367-K413 HydrophobicContact CD2-CB 4.39Å; K411-K413 HydrophobicContact CD-CD 3.9Å; K411-K413 HydrophobicContact CD-CG 4.46Å; K411-K413 HydrophobicContact CG-CD 4.09Å; K411-K413 HydrophobicContact CG-CG 4.16Å
414P98.6Very high97.9Very high0 Ų034.9 Ų34.90%017%0.167CC..  trans-65.7172.8-177.629.7-36.9000112.3D51 R255 L366 F418D51-P414 WeakPolarHBondContact O-CB 3.4Å; R255-P414 PolarHBondContact NH1-O 3.38Å; R255-P414 PolarHBondContact NH2-O 3.11Å; L366-P414 HydrophobicContact CB-CG 4.45Å; L366-P414 HydrophobicContact CD2-CG 4.04Å; P414-F418 HydrophobicContact CB-CB 3.83Å; P414-F418 HydrophobicContact CB-CD2 3.35Å; P414-F418 HydrophobicContact CB-CE2 3.92Å; P414-F418 HydrophobicContact CB-CG 3.7Å; P414-F418 HydrophobicContact CG-CB 3.72Å; P414-F418 HydrophobicContact CG-CD1 3.99Å; P414-F418 HydrophobicContact CG-CD2 3.73Å; P414-F418 HydrophobicContact CG-CE1 4.47Å; P414-F418 HydrophobicContact CG-CE2 4.23Å; P414-F418 HydrophobicContact CG-CG 3.58Å
415P98.8Very high98.1Very high0 Ų038.9 Ų38.90%019%0.186CC..  trans-48.3148.5155.6-31.241.9000112.5Q39 D51 A57 C417 F418Q39-P415 HydrophobicContact CB-CB 4.33Å; Q39-P415 HydrophobicContact CB-CG 4.39Å; D51-P415 VanDerWaalsContact O-CD 3.29Å; D51-P415 WeakPolarHBondContact O-CD 3.38Å; A57-P415 HydrophobicContact CB-CG 4.41Å; A57-P415 VanDerWaalsContact O-CB 3.24Å; A57-P415 WeakPolarHBondContact O-CB 3.47Å; A57-P415 WeakPolarHBondContact O-CG 3.26Å; P415-C417 PolarHBondContact O-N 2.96Å; P415-F418 VanDerWaalsContact O-CB 3.28Å; P415-F418 WeakPolarHBondContact O-CB 3.49Å; P415-F418 PolarHBondContact O-N 3.03Å
416M98.8Very high98.3Very high0 Ų036.2 Ų36.20%017%0.168CC..THydrogen-bonded Turntrans-70.7-15.2-175.1-63.3-80.1-81.500113.7H58 G254 R255 L333 N336 A337 L366 F418H58-M416 WeakPolarHBondContact CE1-CG 3.25Å; H58-M416 WeakPolarHBondContact NE2-CG 3.14Å; H58-M416 WeakPolarHBondContact O-CB 3.36Å; H58-M416 WeakPolarHBondContact O-CG 3.42Å; H58-M416 PolarHBondContact O-N 3.46Å; G254-M416 VanDerWaalsContact C-CE 3.49Å; G254-M416 WeakPolarHBondContact O-CE 3.48Å; R255-M416 VanDerWaalsContact CZ-SD 3.6Å; R255-M416 PolarHBondContact NH1-SD 3.39Å; L333-M416 HydrophobicContact CB-CB 3.95Å; L333-M416 HydrophobicContact CB-CE 4.37Å; L333-M416 HydrophobicContact CD1-CB 4.19Å; L333-M416 HydrophobicContact CD2-CB 4.45Å; L333-M416 HydrophobicContact CG-CB 4.43Å; L333-M416 WeakPolarHBondContact O-CE 3.4Å; N336-M416 PolarHBondContact ND2-O 3Å; A337-M416 HydrophobicContact CB-CE 3.62Å; A337-M416 HydrophobicContact CB-SD 3.91Å; L366-M416 HydrophobicContact CD1-SD 4.32Å; M416-F418 PolarHBondContact O-N 3.24Å
417C98.8Very high98.4Very high27 Ų2732.4 Ų32.418%0.18215%0.15CC..THydrogen-bonded Turntrans-80.24.9173.164.60000114Q39 P415Q39-C417 PolarHBondContact OE1-SG 3.3Å; Q39-C417 VanDerWaalsContact OE1-SG 3.34Å; P415-C417 PolarHBondContact O-N 2.96Å
418F98.8Very high98.5Very high0 Ų028.3 Ų28.30%014%0.14CC..  trans-58137.3174.2-165.5-97.7000111Q39 L50 N336 V340 L366 P414 P415 M416 D422 A423 V426Q39-F418 HydrophobicContact CB-CD2 4.26Å; Q39-F418 HydrophobicContact CG-CD2 4.33Å; L50-F418 HydrophobicContact CD1-CD2 4.1Å; L50-F418 HydrophobicContact CD1-CE2 3.69Å; L50-F418 HydrophobicContact CD2-CE2 4Å; L50-F418 HydrophobicContact CD2-CZ 4.29Å; L50-F418 HydrophobicContact CG-CE2 3.99Å; N336-F418 PolarHBondContact ND2-O 3.35Å; V340-F418 HydrophobicContact CG1-CD1 3.91Å; L366-F418 HydrophobicContact CD1-CB 4.44Å; L366-F418 HydrophobicContact CD2-CD1 4.35Å; P414-F418 HydrophobicContact CB-CB 3.83Å; P414-F418 HydrophobicContact CB-CD2 3.35Å; P414-F418 HydrophobicContact CB-CE2 3.92Å; P414-F418 HydrophobicContact CB-CG 3.7Å; P414-F418 HydrophobicContact CG-CB 3.72Å; P414-F418 HydrophobicContact CG-CD1 3.99Å; P414-F418 HydrophobicContact CG-CD2 3.73Å; P414-F418 HydrophobicContact CG-CE1 4.47Å; P414-F418 HydrophobicContact CG-CE2 4.23Å; P414-F418 HydrophobicContact CG-CG 3.58Å; P415-F418 VanDerWaalsContact O-CB 3.28Å; P415-F418 WeakPolarHBondContact O-CB 3.49Å; P415-F418 PolarHBondContact O-N 3.03Å; M416-F418 PolarHBondContact O-N 3.24Å; F418-D422 HydrophobicContact CD1-CB 4.03Å; F418-D422 HydrophobicContact CD2-CB 3.81Å; F418-D422 HydrophobicContact CE1-CB 3.8Å; F418-D422 HydrophobicContact CE2-CB 3.59Å; F418-D422 HydrophobicContact CG-CB 4.04Å; F418-D422 HydrophobicContact CZ-CB 3.56Å; F418-A423 HydrophobicContact CE1-CB 3.84Å; F418-V426 HydrophobicContact CZ-CG1 4.22Å
419T98.9Very high98.6Very high50 Ų5031.4 Ų31.431%0.30715%0.153SC..  trans-104.2168.9-170.8690000113V340 E421 D422 A423V340-T419 WeakPolarHBondContact CG1-O 3.32Å; T419-E421 PolarHBondContact O-N 3.39Å; T419-E421 PolarHBondContact OG1-N 2.87Å; T419-D422 WeakPolarHBondContact CB-OD2 3.49Å; T419-D422 PolarHBondContact N-OD2 2.99Å; T419-D422 PolarHBondContact O-N 2.95Å; T419-D422 VanDerWaalsContact OG1-CG 3.22Å; T419-D422 PolarHBondContact OG1-N 3.07Å; T419-D422 PolarHBondContact OG1-OD2 3.3Å; T419-A423 PolarHBondContact O-N 3.48Å
420M98.9Very high98.6Very high91 Ų9131.4 Ų31.445%0.44815%0.153SC..Hα-helixtrans-62.6-32.1168.7-67.5-177.5170.500112.3R339 V340 Y343 A423 K424R339-M420 HydrophobicContact CB-CE 4.05Å; V340-M420 HydrophobicContact CG2-CG 4.04Å; Y343-M420 HydrophobicContact CD1-CB 3.74Å; Y343-M420 HydrophobicContact CD1-CG 3.74Å; Y343-M420 HydrophobicContact CD1-SD 4.43Å; Y343-M420 HydrophobicContact CE1-CB 3.8Å; Y343-M420 HydrophobicContact CE1-CG 4.27Å; Y343-M420 WeakPolarHBondContact CE1-O 3.49Å; Y343-M420 HydrophobicContact CG-CG 4.27Å; M420-A423 PolarHBondContact O-N 2.55Å; M420-K424 WeakPolarHBondContact O-CB 3.36Å; M420-K424 PolarHBondContact O-N 3.17Å
421E98.9Very high98.6Very high159 Ų15933.1 Ų33.174%0.74316%0.163SC*.Hα-helixtrans-66.4-44.7175.1-172.6-179.9167.900110.9T419 A423 K424 H425T419-E421 PolarHBondContact O-N 3.39Å; T419-E421 PolarHBondContact OG1-N 2.87Å; E421-A423 VanDerWaalsContact C-N 3.33Å; E421-A423 PolarHBondContact O-N 3.15Å; E421-K424 PolarHBondContact O-N 3.46Å; E421-H425 VanDerWaalsContact O-CB 3.27Å; E421-H425 WeakPolarHBondContact O-CB 3.44Å; E421-H425 PolarHBondContact O-N 3.34Å
422D98.9Very high98.6Very high5 Ų536.2 Ų36.23%0.02718%0.182CC..Hα-helixtrans-61.2-42.6174.6-60.7-60.3000111.5Q39 Y40 L50 F418 T419 H425 V426Q39-D422 PolarHBondContact NE2-OD2 3.38Å; Y40-D422 PolarHBondContact OH-OD1 3.09Å; L50-D422 HydrophobicContact CD1-CB 3.95Å; L50-D422 WeakPolarHBondContact CD1-OD1 3.12Å; L50-D422 HydrophobicContact CD2-CB 4.02Å; F418-D422 HydrophobicContact CD1-CB 4.03Å; F418-D422 HydrophobicContact CD2-CB 3.81Å; F418-D422 HydrophobicContact CE1-CB 3.8Å; F418-D422 HydrophobicContact CE2-CB 3.59Å; F418-D422 HydrophobicContact CG-CB 4.04Å; F418-D422 HydrophobicContact CZ-CB 3.56Å; T419-D422 WeakPolarHBondContact CB-OD2 3.49Å; T419-D422 PolarHBondContact N-OD2 2.99Å; T419-D422 PolarHBondContact O-N 2.95Å; T419-D422 VanDerWaalsContact OG1-CG 3.22Å; T419-D422 PolarHBondContact OG1-N 3.07Å; T419-D422 PolarHBondContact OG1-OD2 3.3Å; D422-H425 PolarHBondContact O-N 3.24Å; D422-V426 WeakPolarHBondContact O-CG1 3.39Å; D422-V426 PolarHBondContact O-N 3.11Å
423A98.9Very high98.7Very high0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-61.3-47.717700000111.8V340 Y343 L344 F418 T419 M420 E421 V426 V427V340-A423 HydrophobicContact CG1-CB 4.17Å; Y343-A423 HydrophobicContact CD1-CB 4.23Å; L344-A423 HydrophobicContact CB-CB 4.28Å; L344-A423 HydrophobicContact CD1-CB 4.24Å; F418-A423 HydrophobicContact CE1-CB 3.84Å; T419-A423 PolarHBondContact O-N 3.48Å; M420-A423 PolarHBondContact O-N 2.55Å; E421-A423 VanDerWaalsContact C-N 3.33Å; E421-A423 PolarHBondContact O-N 3.15Å; A423-V426 VanDerWaalsContact O-CG1 3.29Å; A423-V426 WeakPolarHBondContact O-CG1 3.32Å; A423-V427 WeakPolarHBondContact O-CG2 3.49Å; A423-V427 PolarHBondContact O-N 3.04Å; A423-V427 VanDerWaalsContact O-N 3.14Å
424K98.9Very high98.7Very high87 Ų8736.1 Ų36.138%0.37818%0.183SC..Hα-helixtrans-62.7-46.1175176.4159.5174.950.40111.5Y343 L347 M420 E421 V426 V427 D428Y343-K424 HydrophobicContact CE1-CB 4.36Å; L347-K424 HydrophobicContact CD1-CB 4.22Å; M420-K424 WeakPolarHBondContact O-CB 3.36Å; M420-K424 PolarHBondContact O-N 3.17Å; E421-K424 PolarHBondContact O-N 3.46Å; K424-V426 PolarHBondContact O-N 3.1Å; K424-V427 PolarHBondContact O-N 3.14Å; K424-D428 WeakPolarHBondContact CE-OD2 3.32Å; K424-D428 WeakPolarHBondContact CG-OD2 3.47Å; K424-D428 IonicContact NZ-OD1 3.2Å; K424-D428 PolarHBondContact NZ-OD1 3.12Å; K424-D428 IonicContact NZ-OD2 2.57Å; K424-D428 PolarHBondContact NZ-OD2 2.7Å; K424-D428 WeakPolarHBondContact O-CB 3.35Å; K424-D428 PolarHBondContact O-N 2.9Å
425H98.8Very high98.7Very high84 Ų8438.5 Ų38.539%0.38920%0.197SC..Hα-helixtrans-58.3-44.2-178.8-178.267.4000112.7E421 D422 K429E421-H425 VanDerWaalsContact O-CB 3.27Å; E421-H425 WeakPolarHBondContact O-CB 3.44Å; E421-H425 PolarHBondContact O-N 3.34Å; D422-H425 PolarHBondContact O-N 3.24Å; H425-K429 WeakPolarHBondContact O-CG 3.21Å; H425-K429 PolarHBondContact O-N 3.35Å
426V98.6Very high98.6Very high0 Ų043.2 Ų43.20%022%0.219CC..Hα-helixtrans-69.8-39.1177.363.60000112.7I398 L400 F412 F418 D422 A423 K424 K429 I430I398-V426 HydrophobicContact CD1-CB 4.38Å; I398-V426 HydrophobicContact CD1-CG2 4.38Å; I398-V426 HydrophobicContact CG2-CB 4.42Å; I398-V426 HydrophobicContact CG2-CG2 3.75Å; L400-V426 HydrophobicContact CD1-CG2 3.8Å; F412-V426 HydrophobicContact CE1-CB 4.5Å; F412-V426 HydrophobicContact CE1-CG1 3.8Å; F412-V426 HydrophobicContact CE1-CG2 3.8Å; F412-V426 HydrophobicContact CZ-CG2 4.4Å; F418-V426 HydrophobicContact CZ-CG1 4.22Å; D422-V426 WeakPolarHBondContact O-CG1 3.39Å; D422-V426 PolarHBondContact O-N 3.11Å; A423-V426 VanDerWaalsContact O-CG1 3.29Å; A423-V426 WeakPolarHBondContact O-CG1 3.32Å; K424-V426 PolarHBondContact O-N 3.1Å; V426-K429 PolarHBondContact O-N 3.28Å; V426-I430 HydrophobicContact CG2-CD1 3.96Å; V426-I430 HydrophobicContact CG2-CG1 4.49Å; V426-I430 WeakPolarHBondContact O-CG1 3.21Å; V426-I430 PolarHBondContact O-N 2.95Å
427V98.8Very high98.5Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-69.7-40.7179.3179.10000111.6L344 L347 L348 Q351 A423 K424 K429 I430 D431L344-V427 HydrophobicContact CD1-CG2 3.71Å; L347-V427 HydrophobicContact CB-CB 4.27Å; L347-V427 HydrophobicContact CB-CG1 4.03Å; L347-V427 HydrophobicContact CB-CG2 4.07Å; L347-V427 HydrophobicContact CD1-CB 4.48Å; L347-V427 HydrophobicContact CD1-CG2 4.41Å; L348-V427 HydrophobicContact CD2-CG1 4.46Å; L348-V427 HydrophobicContact CD2-CG2 3.85Å; L348-V427 HydrophobicContact CG-CG2 3.97Å; Q351-V427 HydrophobicContact CG-CG1 3.42Å; Q351-V427 VanDerWaalsContact CG-CG1 3.42Å; A423-V427 WeakPolarHBondContact O-CG2 3.49Å; A423-V427 PolarHBondContact O-N 3.04Å; A423-V427 VanDerWaalsContact O-N 3.14Å; K424-V427 PolarHBondContact O-N 3.14Å; V427-K429 PolarHBondContact O-N 3.18Å; V427-I430 PolarHBondContact O-N 3.45Å; V427-D431 PolarHBondContact O-N 3.31Å
428D98.7Very high98.4Very high63 Ų6343.4 Ų43.434%0.33722%0.218SC..Hα-helixtrans-59-36.2174.5-70.5-10.3000111.7K424K424-D428 WeakPolarHBondContact CE-OD2 3.32Å; K424-D428 WeakPolarHBondContact CG-OD2 3.47Å; K424-D428 IonicContact NZ-OD1 3.2Å; K424-D428 PolarHBondContact NZ-OD1 3.12Å; K424-D428 IonicContact NZ-OD2 2.57Å; K424-D428 PolarHBondContact NZ-OD2 2.7Å; K424-D428 WeakPolarHBondContact O-CB 3.35Å; K424-D428 PolarHBondContact O-N 2.9Å
429K98.6Very high98.2Very high65 Ų6550.7 Ų50.728%0.28325%0.252SS..Hα-helixtrans-74.3-30174.7-70.5-68.5-176.4177.10113.2L393 Q396 I398 H425 V426 V427 L433L393-K429 HydrophobicContact CD2-CB 4.06Å; Q396-K429 HydrophobicContact CB-CD 4.37Å; Q396-K429 HydrophobicContact CG-CD 4.32Å; I398-K429 HydrophobicContact CD1-CB 3.79Å; I398-K429 HydrophobicContact CD1-CG 3.74Å; H425-K429 WeakPolarHBondContact O-CG 3.21Å; H425-K429 PolarHBondContact O-N 3.35Å; V426-K429 PolarHBondContact O-N 3.28Å; V427-K429 PolarHBondContact O-N 3.18Å; K429-L433 WeakPolarHBondContact O-CB 3.34Å; K429-L433 WeakPolarHBondContact O-CD1 3.4Å; K429-L433 WeakPolarHBondContact O-CG 3.41Å; K429-L433 PolarHBondContact O-N 2.69Å
430I98.6Very high98Very high1 Ų152.6 Ų52.61%0.00527%0.272CS..Hα-helixtrans-70.6-42.1174.5-73.8169.9000111L393 L410 F412 V426 V427 V432 L433 L434L393-I430 HydrophobicContact CD1-CD1 4.37Å; L393-I430 HydrophobicContact CD1-CG1 4.03Å; L393-I430 HydrophobicContact CD2-CG1 3.94Å; L410-I430 HydrophobicContact CD1-CD1 4.49Å; F412-I430 HydrophobicContact CE1-CD1 4.4Å; F412-I430 HydrophobicContact CZ-CD1 3.64Å; V426-I430 HydrophobicContact CG2-CD1 3.96Å; V426-I430 HydrophobicContact CG2-CG1 4.49Å; V426-I430 WeakPolarHBondContact O-CG1 3.21Å; V426-I430 PolarHBondContact O-N 2.95Å; V427-I430 PolarHBondContact O-N 3.45Å; I430-V432 PolarHBondContact O-N 3.42Å; I430-L433 PolarHBondContact O-N 3.24Å; I430-L434 HydrophobicContact CG2-CD1 3.48Å; I430-L434 VanDerWaalsContact CG2-CD1 3.48Å; I430-L434 HydrophobicContact CG2-CG 3.97Å; I430-L434 WeakPolarHBondContact O-CB 3.38Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.48Å; I430-L434 PolarHBondContact O-N 3.36Å
431D98.6Very high97.5Very high36 Ų3651.7 Ų51.719%0.19327%0.272CS..Hα-helixtrans-52.4-55.3176.7-171.8-32000111.8Q351 K354 H355 V427 L433 L434 T435Q351-D431 VanDerWaalsContact CD-OD2 3.31Å; Q351-D431 PolarHBondContact NE2-OD2 3.12Å; Q351-D431 VanDerWaalsContact OE1-CG 3.28Å; Q351-D431 PolarHBondContact OE1-OD2 2.77Å; K354-D431 IonicContact NZ-OD2 2.76Å; K354-D431 PolarHBondContact NZ-OD2 3.47Å; H355-D431 PolarHBondContact CE1-O 3.19Å; H355-D431 IonicContact CE1-OD1 2.78Å; H355-D431 IonicContact NE2-OD1 2.73Å; V427-D431 PolarHBondContact O-N 3.31Å; D431-L433 PolarHBondContact O-N 2.9Å; D431-L434 PolarHBondContact O-N 3.4Å; D431-T435 PolarHBondContact O-N 3.11Å; D431-T435 PolarHBondContact O-OG1 3.44Å
432V98.5Very high97Very high79 Ų7946.9 Ų46.948%0.47927%0.265SS..Hα-helixtrans-59.3-48.7178177.50000111.6I430 L434 T435 E436I430-V432 PolarHBondContact O-N 3.42Å; V432-L434 PolarHBondContact O-N 3.5Å; V432-T435 WeakPolarHBondContact O-CB 3.1Å; V432-T435 PolarHBondContact O-N 3.23Å; V432-E436 PolarHBondContact O-N 3.24Å
433L98.4Very high96.1Very high12 Ų1249.1 Ų49.16%0.06328%0.276CS..Hα-helixtrans-71.8-30-176-68.7173000113.1L389 K392 L393 K429 I430 D431 I437L389-L433 HydrophobicContact CD1-CB 3.45Å; L389-L433 VanDerWaalsContact CD1-CB 3.45Å; L389-L433 HydrophobicContact CD1-CD1 3.83Å; L389-L433 HydrophobicContact CD1-CG 4.3Å; K392-L433 HydrophobicContact CB-CD1 3.71Å; K392-L433 HydrophobicContact CB-CD2 3.78Å; K392-L433 HydrophobicContact CB-CG 4.33Å; K392-L433 HydrophobicContact CG-CD2 4.22Å; L393-L433 HydrophobicContact CD2-CD1 3.89Å; L393-L433 HydrophobicContact CG-CD1 4.04Å; K429-L433 WeakPolarHBondContact O-CB 3.34Å; K429-L433 WeakPolarHBondContact O-CD1 3.4Å; K429-L433 WeakPolarHBondContact O-CG 3.41Å; K429-L433 PolarHBondContact O-N 2.69Å; I430-L433 PolarHBondContact O-N 3.24Å; D431-L433 PolarHBondContact O-N 2.9Å; L433-I437 VanDerWaalsContact O-CD1 3.32Å; L433-I437 WeakPolarHBondContact O-CD1 3.34Å; L433-I437 WeakPolarHBondContact O-CG1 3.42Å; L433-I437 PolarHBondContact O-N 3.2Å
434L98.3Very high94.7Very high0 Ų057.2 Ų57.20%031%0.311CS..Hα-helixtrans-68.8-43.5171.4-73.8173.2000110.6H355 L357 L358 L372 L389 I430 D431 V432 E436 I437 E438H355-L434 HydrophobicContact CB-CB 4.41Å; H355-L434 HydrophobicContact CB-CD1 3.96Å; H355-L434 WeakPolarHBondContact ND1-CB 3.44Å; L357-L434 HydrophobicContact CB-CD2 4.17Å; L357-L434 HydrophobicContact CD1-CD2 3.84Å; L358-L434 HydrophobicContact CD1-CD1 3.85Å; L358-L434 HydrophobicContact CD2-CD1 3.84Å; L358-L434 HydrophobicContact CG-CD1 3.88Å; L372-L434 HydrophobicContact CD2-CD2 4.29Å; L389-L434 HydrophobicContact CD2-CD2 3.85Å; L389-L434 HydrophobicContact CD2-CG 4.3Å; I430-L434 HydrophobicContact CG2-CD1 3.48Å; I430-L434 VanDerWaalsContact CG2-CD1 3.48Å; I430-L434 HydrophobicContact CG2-CG 3.97Å; I430-L434 WeakPolarHBondContact O-CB 3.38Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.48Å; I430-L434 PolarHBondContact O-N 3.36Å; D431-L434 PolarHBondContact O-N 3.4Å; V432-L434 PolarHBondContact O-N 3.5Å; L434-E436 VanDerWaalsContact C-N 3.34Å; L434-E436 PolarHBondContact O-N 3.13Å; L434-I437 PolarHBondContact O-N 2.81Å; L434-I437 VanDerWaalsContact O-N 3.14Å; L434-E438 WeakPolarHBondContact O-CB 2.92Å; L434-E438 VanDerWaalsContact O-CG 3.29Å; L434-E438 WeakPolarHBondContact O-CG 3.4Å; L434-E438 PolarHBondContact O-N 3.41Å
435T98.1Very high92.9Very high50 Ų5056.3 Ų56.331%0.30731%0.313SS..Hα-helixtrans-53.8-50173.9-53.90000111.2H355 D431 V432 I437 E438 E439H355-T435 PolarHBondContact CE1-OG1 3.42Å; D431-T435 PolarHBondContact O-N 3.11Å; D431-T435 PolarHBondContact O-OG1 3.44Å; V432-T435 WeakPolarHBondContact O-CB 3.1Å; V432-T435 PolarHBondContact O-N 3.23Å; T435-I437 VanDerWaalsContact C-N 3.34Å; T435-I437 PolarHBondContact O-N 2.93Å; T435-E438 PolarHBondContact O-N 3.37Å; T435-E439 HydrophobicContact CG2-CG 4.44Å; T435-E439 WeakPolarHBondContact O-CB 3.2Å; T435-E439 WeakPolarHBondContact O-CG 3.34Å; T435-E439 PolarHBondContact O-N 3.04Å
436E97.4Very high90.6Very high99 Ų9956.1 Ų56.146%0.46333%0.334SS..Hα-helixtrans-57.7-42.1177.2-72176.9-166.300112.9V432 L434 A440V432-E436 PolarHBondContact O-N 3.24Å; L434-E436 VanDerWaalsContact C-N 3.34Å; L434-E436 PolarHBondContact O-N 3.13Å; E436-A440 WeakPolarHBondContact O-CB 3.47Å; E436-A440 PolarHBondContact O-N 2.91Å; E436-A440 VanDerWaalsContact O-N 3.1Å
437I96.8Very high87.8Confident17 Ų1762.4 Ų62.49%0.08737%0.368CS..Hα-helixtrans-70-40.8179.1-64.8163.1000110.9L357 E385 L389 L433 L434 T435 A440 T441L357-I437 HydrophobicContact CD1-CB 4.23Å; L357-I437 HydrophobicContact CD1-CG2 3.72Å; E385-I437 HydrophobicContact CB-CG2 4.44Å; E385-I437 HydrophobicContact CG-CG2 4.16Å; L389-I437 HydrophobicContact CB-CD1 4.13Å; L433-I437 VanDerWaalsContact O-CD1 3.32Å; L433-I437 WeakPolarHBondContact O-CD1 3.34Å; L433-I437 WeakPolarHBondContact O-CG1 3.42Å; L433-I437 PolarHBondContact O-N 3.2Å; L434-I437 PolarHBondContact O-N 2.81Å; L434-I437 VanDerWaalsContact O-N 3.14Å; T435-I437 VanDerWaalsContact C-N 3.34Å; T435-I437 PolarHBondContact O-N 2.93Å; I437-A440 PolarHBondContact O-N 3.07Å; I437-T441 HydrophobicContact CG2-CG2 4.44Å; I437-T441 WeakPolarHBondContact O-CB 3.35Å; I437-T441 WeakPolarHBondContact O-CG2 3.3Å; I437-T441 PolarHBondContact O-N 2.9Å; I437-T441 PolarHBondContact O-OG1 3.45Å
438E95.9Very high84.7Confident13 Ų1370 Ų706%0.06141%0.408CS..Hα-helixtrans-69.7-42.5-177.5-73.1173.1159.400111.3H355 P356 L357 L434 T435 T441 G442 M443H355-E438 VanDerWaalsContact C-OE1 3.28Å; H355-E438 WeakPolarHBondContact CA-OE1 3.39Å; H355-E438 WeakPolarHBondContact CB-OE1 3.5Å; H355-E438 IonicContact CE1-OE2 2.69Å; H355-E438 IonicContact CG-OE2 3.98Å; H355-E438 IonicContact ND1-OE1 2.67Å; H355-E438 IonicContact ND1-OE2 3.57Å; H355-E438 PolarHBondContact ND1-OE2 3.36Å; P356-E438 VanDerWaalsContact CD-CD 3.49Å; P356-E438 WeakPolarHBondContact CD-OE1 3.32Å; P356-E438 HydrophobicContact CG-CG 4.38Å; P356-E438 WeakPolarHBondContact CG-OE1 3.29Å; P356-E438 VanDerWaalsContact N-OE1 3.13Å; L357-E438 WeakPolarHBondContact CB-OE1 3.3Å; L357-E438 HydrophobicContact CD1-CG 3.64Å; L357-E438 HydrophobicContact CG-CG 3.84Å; L357-E438 WeakPolarHBondContact CG-OE1 3.17Å; L357-E438 PolarHBondContact N-OE1 3.33Å; L434-E438 WeakPolarHBondContact O-CB 2.92Å; L434-E438 VanDerWaalsContact O-CG 3.29Å; L434-E438 WeakPolarHBondContact O-CG 3.4Å; L434-E438 PolarHBondContact O-N 3.41Å; T435-E438 PolarHBondContact O-N 3.37Å; E438-T441 PolarHBondContact O-N 2.85Å; E438-T441 PolarHBondContact O-OG1 2.88Å; E438-G442 PolarHBondContact O-N 3.22Å; E438-M443 HydrophobicContact CB-CB 4.21Å; E438-M443 HydrophobicContact CG-CB 4.23Å; E438-M443 PolarHBondContact O-N 2.62Å
439E95.3Very high81.7Confident153 Ų15371.6 Ų71.672%0.71543%0.43SS*.Hα-helixtrans-60.3-47.9170.5-72.3-174.6170.300111.9T435 T441 G442T435-E439 HydrophobicContact CG2-CG 4.44Å; T435-E439 WeakPolarHBondContact O-CB 3.2Å; T435-E439 WeakPolarHBondContact O-CG 3.34Å; T435-E439 PolarHBondContact O-N 3.04Å; E439-T441 PolarHBondContact O-N 3.33Å; E439-G442 PolarHBondContact O-N 3.13Å
440A93.6Very high78.8Confident90 Ų9073.7 Ų73.774%0.74445%0.453SS*.Hα-helixtrans-66.4-23.6-179.500000113.9E436 I437E436-A440 WeakPolarHBondContact O-CB 3.47Å; E436-A440 PolarHBondContact O-N 2.91Å; E436-A440 VanDerWaalsContact O-N 3.1Å; I437-A440 PolarHBondContact O-N 3.07Å
441T90.1Very high75.8Confident73 Ų7379.9 Ų79.945%0.44849%0.491SS..Hα-helixtrans-100.2-5.6177.9550000113.7I437 E438 E439 M443I437-T441 HydrophobicContact CG2-CG2 4.44Å; I437-T441 WeakPolarHBondContact O-CB 3.35Å; I437-T441 WeakPolarHBondContact O-CG2 3.3Å; I437-T441 PolarHBondContact O-N 2.9Å; I437-T441 PolarHBondContact O-OG1 3.45Å; E438-T441 PolarHBondContact O-N 2.85Å; E438-T441 PolarHBondContact O-OG1 2.88Å; E439-T441 PolarHBondContact O-N 3.33Å; T441-M443 VanDerWaalsContact C-N 3.27Å; T441-M443 PolarHBondContact O-N 3.06Å
442G86.7Confident72.8Confident58 Ų5885.8 Ų85.860%0.59852%0.523SS*.THydrogen-bonded Turntrans71.717.1-176.500000114.2E438 E439 K444E438-G442 PolarHBondContact O-N 3.22Å; E439-G442 PolarHBondContact O-N 3.13Å; G442-K444 PolarHBondContact O-N 3.18Å
443M80.8Confident69.5Low51 Ų5186.8 Ų86.825%0.25154%0.539SS..  trans-75.6107.7174.9-72.7-171.4172.900109.7P356 L357 K374 E438 T441P356-M443 HydrophobicContact CG-CB 4.17Å; L357-M443 HydrophobicContact CD2-CE 4.26Å; L357-M443 HydrophobicContact CD2-SD 3.59Å; L357-M443 VanDerWaalsContact CD2-SD 3.59Å; L357-M443 HydrophobicContact CG-SD 3.99Å; K374-M443 HydrophobicContact CB-CE 4.1Å; E438-M443 HydrophobicContact CB-CB 4.21Å; E438-M443 HydrophobicContact CG-CB 4.23Å; E438-M443 PolarHBondContact O-N 2.62Å; T441-M443 VanDerWaalsContact C-N 3.27Å; T441-M443 PolarHBondContact O-N 3.06Å
444K70.4Confident66.2Low170 Ų17094.6 Ų94.674%0.73958%0.575SS**  trans-96.1140.9173.4-66.9-169.4172.6-165.40111.3G442 G446G442-K444 PolarHBondContact O-N 3.18Å; K444-G446 PolarHBondContact O-N 3.34Å
445T59.9Low62.7Low69 Ų69100.3 Ų100.342%0.42361%0.614SS.*  trans-57.8128.5158.439.40000109.8K354 N447K354-T445 WeakPolarHBondContact O-CG2 3.29Å; T445-N447 PolarHBondContact O-N 3.24Å
446G50.6Low59.4Low80 Ų80107 Ų10783%0.82564%0.639SS**SBendtrans-75.570176.900000112.2K444K444-G446 PolarHBondContact O-N 3.34Å
447N39.3Very low56.3Low132 Ų132109.4 Ų109.471%0.70665%0.653SS**  trans-124.24.1177.9-114.8-5.9000115T445 A449T445-N447 PolarHBondContact O-N 3.24Å; N447-A449 PolarHBondContact O-N 3.21Å
448D34.4Very low53Low159 Ų159118.1 Ų118.185%0.8569%0.691SS**  trans-82.152170.3-77.3-26.4000112.1
449A35.7Very low49.8Very low97 Ų97124 Ų12480%0.80273%0.727SS**  trans-131.236.5179.200000113N447N447-A449 PolarHBondContact O-N 3.21Å
450S38.5Very low46.5Very low108 Ų108127 Ų12776%0.75574%0.738SS**  trans-146.134.3-17962.30000116
451T35.3Very low43.4Very low132 Ų132126.5 Ų126.581%0.8174%0.742SS**SBendtrans-133141.9158.847.90000112.4
452N34.3Very low40.3Very low160 Ų160127 Ų12786%0.85676%0.761SS**  trans71.467.9176.4-62.1-26000118.6
453A29.3Very low37.5Very low99 Ų99132 Ų13282%0.81877%0.774SS**  trans-126.788.1144.600000110.1C455A453-C455 PolarHBondContact O-N 3.34Å
454Q28.8Very low35Very low177 Ų177135.3 Ų135.383%0.82780%0.802SS**  trans-64.9115.6172.4-79.1-177.5-13.700110K456Q454-K456 PolarHBondContact O-N 2.67Å
455C25.8Very low33Very low120 Ų120135.9 Ų135.981%0.81181%0.808SS**  trans-70.396.7179.6-163.90000110.9A453 I457A453-C455 PolarHBondContact O-N 3.34Å; C455-I457 PolarHBondContact O-N 3.37Å
456K29.6Very low32.3Very low190 Ų190137.4 Ų137.483%0.82682%0.819SS**  trans-82.397.7167.6-82.7-176.6177.2172.60109.9Q454 K458Q454-K456 PolarHBondContact O-N 2.67Å; K456-K458 PolarHBondContact O-N 3.17Å
457I31.1Very low31.2Very low149 Ų149142.2 Ų142.276%0.76482%0.82SS**  trans-64.3116.4167-60.2172.3000108.5C455C455-I457 PolarHBondContact O-N 3.37Å
458K28.7Very low30.5Very low201 Ų201140.6 Ų140.687%0.87482%0.819SS**  trans-133.3133.1156.8-89.6-165.1172.7-172.80110.3K456K456-K458 PolarHBondContact O-N 3.17Å
459T27.7Very low30.1Very low135 Ų135139.1 Ų139.183%0.82882%0.816SS**  trans-67.6147.3-174.729.50000113
460K27Very low29.7Very low216 Ų216140.7 Ų140.794%0.93982%0.815SS**  trans-69.3145.8170.3-73.2-177.9174.5-179.50111.3
461G26.9Very low29.2Very low81 Ų81140 Ų14084%0.83582%0.816SS**  trans-178.1131.6161.600000111.6
462G26.5Very low28.8Very low82 Ų82138.6 Ų138.685%0.84581%0.811SS**  trans116.7107.117000000115.8
463N27.3Very low28.5Very low164 Ų164137.3 Ų137.388%0.87781%0.809SS**  trans-72.8150.4162-75.1-26.1000110.7
464S28.3Very low28.4Very low120 Ų120137.7 Ų137.784%0.83981%0.806SS**  165.5142.9105.860.20000113.8
465Q27.4Very low28.4Very low183 Ų183137 Ų13786%0.85580%0.802SS**  trans-71.9-171.4174.1-68.3179.2-47.600113.3
466P46Very low28.6Very low101 Ų101137 Ų13766%0.65679%0.793SS**  -135.7-142.8-65.342.6-23.9000111.2
467E26.6Very low28.5Very low180 Ų180135.3 Ų135.384%0.84179%0.793SS**  trans73.1150.2166.3-78.5166.9-15500117.6
468S25.1Very low28.3Very low99 Ų99132.1 Ų132.169%0.69280%0.797SS**  cis-163.2144.7-9.1540000112.8
469V26.2Very low28.2Very low128 Ų128127.3 Ų127.378%0.77680%0.795SS**  trans38.8125139.1-170.70000121.9
470T26.7Very low29.1Very low130 Ų130127 Ų12780%0.79880%0.795SS**  176.1128.4125.525.20000111.2
471A28.4Very low28.9Very low92 Ų92122.9 Ų122.976%0.7679%0.792SS**  68.3142.9102.200000115.7
472S27.1Very low29Very low103 Ų103128 Ų12872%0.7279%0.791SS**  cis-171.1144.3-3.842.90000113
473V28.3Very low29Very low134 Ų134131.7 Ų131.781%0.81279%0.786SS**  trans49.2127138.8-176.40000122.3
474S27.6Very low29Very low106 Ų106130.5 Ų130.574%0.74178%0.775SS**  trans118.9159.8152.477.80000114
475H28.6Very low29Very low164 Ų164131.9 Ų131.976%0.75977%0.773SS**  cis-172.4164.1-19.9-108.5-3.7000108.5
476I29.9Very low28.9Very low120 Ų120126 Ų12662%0.61576%0.762SS**  cis-158.6159.2-8.9-145.1170.7000109.6
477N27.3Very low28Very low154 Ų154130.4 Ų130.482%0.82477%0.771SS**  trans48.8144.3159.6-63.8-11000124.7
478G26.1Very low28.1Very low82 Ų82132.1 Ų132.185%0.84577%0.772SS**  trans155.478.2151.600000116.1
479A27.8Very low28.3Very low100 Ų100131.4 Ų131.483%0.82677%0.767SS**  trans-106.8-171.917700000111.8
480P45.8Very low28.3Very low129 Ų129131.8 Ų131.884%0.83877%0.765SS**  -111.1177-114.838.1-23.2000114.3
481C23.8Very low28.5Very low129 Ų129134.2 Ų134.287%0.87276%0.764SS**  trans-134.1150.4168.3-152.80000113.3
482K27.5Very low28.5Very low189 Ų189142 Ų14282%0.82277%0.774SS**  trans-107.8-171.9-180-75.9-176.9171-178.10110.4
483Q27.9Very low28.5Very low158 Ų158142.3 Ų142.374%0.73878%0.775SS**  trans81.3146154.7-74.6-172.4-61.100117
484E27.3Very low28.6Very low139 Ų139142.5 Ų142.565%0.6578%0.777SS**  cis-169.6179-23.3-142158.4-149.800109.4
485N27.4Very low29.3Very low149 Ų149143.2 Ų143.280%0.79778%0.779SS**  trans73.3144.1163.9-52.1-40.1000118.4
486G26.4Very low29.4Very low61 Ų61140.8 Ų140.863%0.62978%0.78SS**  cis161.8144.2-10.300000114.2
487F27.2Very low29.6Very low192 Ų192144.6 Ų144.684%0.84279%0.793SS**  trans54.3132.2157.4-67.6-91000120
488Y27.2Very low29.7Very low216 Ų216148.6 Ų148.685%0.84780%0.796SS**  -158.4161.769.1-127.2-92.8000115.3
489S28.9Very low30Very low84 Ų84152.8 Ų152.859%0.58780%0.798SS**  trans-81.9173.2173.956.50000112
490D27.3Very low30.2Very low137 Ų137156.6 Ų156.673%0.73380%0.799SS**  -167.6174.263.3-146.6-12.2000115.9
491K30.9Very low30.3Very low181 Ų181160.7 Ų160.779%0.78782%0.822SS**  trans-81.2162.7-166.1-57.9151.9-179.11660114.8
492R27.8Very low30.6Very low256 Ų256162.3 Ų162.397%0.96682%0.819SS**  -154.8141.6127.8-107.5169.3-155.6-1625.6111.8
493S27.6Very low30.7Very low108 Ų108160.9 Ų160.976%0.75582%0.819SS**  trans-128160.6-178.653.40000110.3
494V31Very low30.9Very low139 Ų139161.1 Ų161.184%0.84282%0.824SS**  trans165149.2141.4151.70000110
495P42.2Very low31.1Very low121 Ų121162.4 Ų162.479%0.78683%0.834SS**  trans-119.3176.6-153.141.4-29000115.8
496S30.4Very low31.3Very low112 Ų112163.2 Ų163.278%0.78384%0.836SS**  trans-145.7103.2168.5-173.20000114.1
497K34Very low31.7Very low201 Ų201170 Ų17087%0.87485%0.85SS**  trans45.1130.3133.3-70.8-176.5173.3-179.40123.3
498R29.3Very low32Very low238 Ų238168.4 Ų168.490%0.89885%0.851SS**  trans-60.9155.8155-69.2174.7170.6170.8-4.7112.3
499L31.5Very low32.4Very low170 Ų170164.8 Ų164.889%0.8985%0.851SS**  trans-138131.9151.3-108.6156.5000108.8
500Q32.9Very low32.6Very low179 Ų179171.5 Ų171.584%0.83687%0.873SS**  trans-101.2135.1166-73.5174.2-65.300108.2
501T47.1Very low33.1Very low216 Ų216174.6 Ų174.6100%1.32589%0.886SS**  trans-157.10142.346.20000106.8

Retrieved 501 of 501 residues in 306.9 ms (Link to these results)

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