A0A5K4FCB2_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 474 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
1M32.5Very low36Very low244 Ų244128.5 Ų128.5100%1.20269%0.687SS**  0153.10-72.9173.5170.800107.3E3M1-E3 PolarHBondContact O-N 3.01Å
2T32Very low36.5Very low133 Ų133123.6 Ų123.682%0.81666%0.659SS**  trans-80.8115.1-168.147.30000112.1S4T2-S4 PolarHBondContact O-N 2.97Å
3E31.2Very low36.7Very low189 Ų189121.2 Ų121.288%0.88365%0.646SS**  trans-74117165-68.2-178.3128.600109.2M1 T5M1-E3 PolarHBondContact O-N 3.01Å; E3-T5 PolarHBondContact O-N 2.95Å
4S35.1Very low37Very low95 Ų95118 Ų11866%0.66463%0.63SS**  trans-88.898.2178.3-600000109.7T2 I6T2-S4 PolarHBondContact O-N 2.97Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 2.91Å
5T34.6Very low37.1Very low141 Ų141119.2 Ų119.287%0.86563%0.627SS**  trans-68.285.617135.20000110.7E3 S7E3-T5 PolarHBondContact O-N 2.95Å; T5-S7 PolarHBondContact O-N 3.06Å; T5-S7 VanDerWaalsContact O-N 3.09Å
6I36.8Very low37.2Very low114 Ų114115.5 Ų115.559%0.58561%0.611SS**  trans-69.9104.2173.6-60.9172.8000108.1S4 N10 L11S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 2.91Å; I6-N10 HydrophobicContact CG2-CB 4.29Å; I6-L11 HydrophobicContact CG2-CD1 4.28Å; I6-L11 HydrophobicContact CG2-CG 4.09Å
7S36.4Very low37.3Very low53 Ų53117.4 Ų117.437%0.37162%0.616SS.*  trans-62.1148.9172.855.30000111.2T5 T9 N10T5-S7 PolarHBondContact O-N 3.06Å; T5-S7 VanDerWaalsContact O-N 3.09Å; S7-T9 PolarHBondContact O-N 3.24Å; S7-T9 VanDerWaalsContact O-N 3.12Å; S7-T9 PolarHBondContact OG-OG1 2.93Å; S7-N10 PolarHBondContact O-N 2.86Å; S7-N10 VanDerWaalsContact OG-CG 3.27Å; S7-N10 PolarHBondContact OG-ND2 3.12Å; S7-N10 PolarHBondContact OG-OD1 3.34Å
8Y35.9Very low37.7Very low182 Ų182119.2 Ų119.271%0.71462%0.618SS**Hα-helixtrans-57.5-28.7-178.8-118.1-96.8000113.2L11Y8-L11 PolarHBondContact O-N 3.5Å
9T42.1Very low37.6Very low80 Ų80118.2 Ų118.249%0.49161%0.613SS.*Hα-helixtrans-54.2-53172.454.60000111.7S7 L11 I12 D13S7-T9 PolarHBondContact O-N 3.24Å; S7-T9 VanDerWaalsContact O-N 3.12Å; S7-T9 PolarHBondContact OG-OG1 2.93Å; T9-L11 PolarHBondContact O-N 2.9Å; T9-L11 VanDerWaalsContact O-N 3.1Å; T9-I12 PolarHBondContact O-N 3.07Å; T9-D13 PolarHBondContact O-N 2.83Å; T9-D13 VanDerWaalsContact O-N 3.12Å
10N39.3Very low37.5Very low75 Ų75114.6 Ų114.640%0.40160%0.597SS.*Hα-helixtrans-66.8-22.6-170.2-61-0.2000112.3I6 S7 N14I6-N10 HydrophobicContact CG2-CB 4.29Å; S7-N10 PolarHBondContact O-N 2.86Å; S7-N10 VanDerWaalsContact OG-CG 3.27Å; S7-N10 PolarHBondContact OG-ND2 3.12Å; S7-N10 PolarHBondContact OG-OD1 3.34Å; N10-N14 VanDerWaalsContact O-CB 3.31Å; N10-N14 WeakPolarHBondContact O-CB 3.42Å; N10-N14 PolarHBondContact O-N 3.09Å; N10-N14 PolarHBondContact O-ND2 2.79Å
11L40.6Very low37.5Very low108 Ų108117.7 Ų117.757%0.56561%0.608SS**Hα-helixtrans-76.1-30.2174.2-92.9164.3000113.1I6 Y8 T9I6-L11 HydrophobicContact CG2-CD1 4.28Å; I6-L11 HydrophobicContact CG2-CG 4.09Å; Y8-L11 PolarHBondContact O-N 3.5Å; T9-L11 PolarHBondContact O-N 2.9Å; T9-L11 VanDerWaalsContact O-N 3.1Å
12I42.1Very low37.6Very low69 Ų69112.3 Ų112.335%0.35459%0.594SS.*Hα-helixtrans-77.4-49.1176.4-62.3174000109.2T9 N14 F15 V16T9-I12 PolarHBondContact O-N 3.07Å; I12-N14 PolarHBondContact O-N 2.83Å; I12-F15 WeakPolarHBondContact O-CB 3.43Å; I12-F15 PolarHBondContact O-N 3.14Å; I12-V16 HydrophobicContact CG2-CG2 4.48Å; I12-V16 PolarHBondContact O-N 3.44Å
13D38.8Very low37.9Very low92 Ų92107.5 Ų107.549%0.49257%0.566SS.*Hα-helixtrans-58.2-47.7-178.9-58.8-38.9000111.6T9 F15 V16 E17T9-D13 PolarHBondContact O-N 2.83Å; T9-D13 VanDerWaalsContact O-N 3.12Å; D13-F15 PolarHBondContact O-N 3.03Å; D13-F15 VanDerWaalsContact O-N 3.1Å; D13-V16 PolarHBondContact O-N 3.39Å; D13-E17 PolarHBondContact O-N 3.44Å; D13-E17 VanDerWaalsContact O-N 3.11Å
14N40.1Very low38.1Very low77 Ų77102.6 Ų102.641%0.41255%0.552SS.*Hα-helixtrans-61.2-19.3175.9-93.5-91.1000114.4N10 I12 K18N10-N14 VanDerWaalsContact O-CB 3.31Å; N10-N14 WeakPolarHBondContact O-CB 3.42Å; N10-N14 PolarHBondContact O-N 3.09Å; N10-N14 PolarHBondContact O-ND2 2.79Å; I12-N14 PolarHBondContact O-N 2.83Å; N14-K18 WeakPolarHBondContact O-CD 3.19Å; N14-K18 PolarHBondContact OD1-NZ 2.85Å
15F39.8Very low38.2Very low136 Ų136102.3 Ų102.360%0.59654%0.543SS*.Hα-helixtrans-91.8-34.3179.1-163.5-94.1000111.9I12 D13 N19I12-F15 WeakPolarHBondContact O-CB 3.43Å; I12-F15 PolarHBondContact O-N 3.14Å; D13-F15 PolarHBondContact O-N 3.03Å; D13-F15 VanDerWaalsContact O-N 3.1Å; F15-N19 PolarHBondContact O-N 2.89Å; F15-N19 PolarHBondContact O-ND2 3.03Å
16V37.9Very low38.7Very low60 Ų6097.9 Ų97.936%0.36452%0.518SS..Hα-helixtrans-66.9-49.9174.8175.40000110.6I12 D13 K18 N19 V20I12-V16 HydrophobicContact CG2-CG2 4.48Å; I12-V16 PolarHBondContact O-N 3.44Å; D13-V16 PolarHBondContact O-N 3.39Å; V16-K18 PolarHBondContact O-N 2.81Å; V16-N19 PolarHBondContact O-N 3.37Å; V16-V20 PolarHBondContact O-N 2.89Å
17E39.4Very low39Very low148 Ų14897.3 Ų97.369%0.69251%0.513SS*.Hα-helixtrans-55.7-29180-73.4-169.2142.600113.7D13D13-E17 PolarHBondContact O-N 3.44Å; D13-E17 VanDerWaalsContact O-N 3.11Å
18K44Very low39.3Very low150 Ų150100.6 Ų100.665%0.65252%0.52SS*.Hα-helixtrans-96.6-11.3-173.5-69177.7-174.5155.30115N14 V16N14-K18 WeakPolarHBondContact O-CD 3.19Å; N14-K18 PolarHBondContact OD1-NZ 2.85Å; V16-K18 PolarHBondContact O-N 2.81Å
19N35.6Very low39.7Very low100 Ų10098.4 Ų98.454%0.53552%0.515SS..Hα-helixtrans-127.6-18-170.4-70.2-71.9000116F15 V16F15-N19 PolarHBondContact O-N 2.89Å; F15-N19 PolarHBondContact O-ND2 3.03Å; V16-N19 PolarHBondContact O-N 3.37Å
20V35.9Very low39.7Very low46 Ų46100.9 Ų100.928%0.27953%0.525SS..  trans-140.3101.5-178.9-158.80000113.3V16 S23V16-V20 PolarHBondContact O-N 2.89Å; V20-S23 WeakPolarHBondContact CB-OG 3.41Å; V20-S23 WeakPolarHBondContact CG1-OG 3.37Å
21H37.3Very low40Very low180 Ų180107.3 Ų107.383%0.83355%0.552SS**SBendtrans-70.3127.9154.4-61.7-20.6000108.8
22S34.6Very low40.4Very low131 Ų131105.1 Ų105.192%0.91655%0.55SS*.SBendtrans90.8-0.2171.179.20000121.9
23S37.7Very low40.4Very low32 Ų32107.8 Ų107.822%0.22457%0.565CS.*  trans-89126.1175.358.20000113.4V20V20-S23 WeakPolarHBondContact CB-OG 3.41Å; V20-S23 WeakPolarHBondContact CG1-OG 3.37Å
24S35.4Very low40.9Very low85 Ų85108 Ų10859%0.59456%0.562SS**  trans-81.3131.7167.853.60000111.4
25L39Very low41.1Very low90 Ų90104.6 Ų104.647%0.47155%0.545SS..EExtended strand (participates in β ladder)trans-104.3134.7169.5-173.670.8000108.6Y37L25-Y37 HydrophobicContact CD1-CD1 4.21Å; L25-Y37 HydrophobicContact CD2-CD1 4.32Å; L25-Y37 HydrophobicContact CG-CD1 4.48Å
26S43.2Very low40.9Very low47 Ų4799.8 Ų99.833%0.32952%0.524SS..EExtended strand (participates in β ladder)trans-122.6121.5170.857.10000110.3Q38S26-Q38 PolarHBondContact N-O 2.94Å; S26-Q38 PolarHBondContact O-N 3.26Å
27E43.4Very low41.2Very low103 Ų10399.7 Ų99.748%0.48152%0.518SS..EExtended strand (participates in β ladder)trans-89122.9175.3-173.3-175.1-140.200109.4K29 V35 Y37E27-K29 HydrophobicContact CG-CG 4.49Å; E27-K29 WeakPolarHBondContact OE1-CE 3.35Å; E27-K29 IonicContact OE1-NZ 2.73Å; E27-K29 PolarHBondContact OE1-NZ 3.33Å; E27-K29 IonicContact OE2-NZ 2.86Å; E27-K29 PolarHBondContact OE2-NZ 3.34Å; E27-V35 HydrophobicContact CG-CG1 3.86Å; E27-Y37 HydrophobicContact CG-CE1 4.33Å
28F43.1Very low41.2Very low122 Ų12295.3 Ų95.354%0.53550%0.497SS..EExtended strand (participates in β ladder)trans-115.5134.1169.6-73.6-86.1000110.2E36F28-E36 PolarHBondContact N-O 3.1Å; F28-E36 VanDerWaalsContact N-O 3.17Å; F28-E36 PolarHBondContact O-N 3.28Å; F28-E36 VanDerWaalsContact O-N 3.08Å
29K44.5Very low41.2Very low136 Ų13691.1 Ų91.159%0.59148%0.481SS*.EExtended strand (participates in β ladder)trans-121.3118.7177.7-67.6179.2174.91470109.3E27 V35E27-K29 HydrophobicContact CG-CG 4.49Å; E27-K29 WeakPolarHBondContact OE1-CE 3.35Å; E27-K29 IonicContact OE1-NZ 2.73Å; E27-K29 PolarHBondContact OE1-NZ 3.33Å; E27-K29 IonicContact OE2-NZ 2.86Å; E27-K29 PolarHBondContact OE2-NZ 3.34Å; K29-V35 HydrophobicContact CG-CG2 4.48Å
30D41.8Very low41.6Very low131 Ų13192 Ų9270%0.70148%0.48SS*.  trans-89.2165.7173-119.7-6.3000110.6A32D30-A32 PolarHBondContact O-N 3.38Å
31E45.2Very low42.3Very low210 Ų21095 Ų9598%0.98149%0.489SS*.THydrogen-bonded Turntrans-64.320.3-179.1-60.8-170.2130.300115.6
32A49.6Very low42.6Very low62 Ų6293.9 Ų93.951%0.51249%0.489SS..THydrogen-bonded Turntrans-139.321.9-171.900000113.8D30 H34D30-A32 PolarHBondContact O-N 3.38Å; A32-H34 PolarHBondContact O-N 3.12Å; A32-H34 VanDerWaalsContact O-N 3.12Å; A32-H34 PolarHBondContact O-ND1 3.47Å
33D42.1Very low43.2Very low126 Ų12691 Ų9167%0.67448%0.481SS*.SBendtrans5331.5-178.3-62.6-43.8000114.2
34H48.7Very low43.2Very low95 Ų9595.7 Ų95.744%0.4450%0.499SS..EExtended strand (participates in β ladder)trans-93.6123.4168-69.545.1000108.2A32A32-H34 PolarHBondContact O-N 3.12Å; A32-H34 VanDerWaalsContact O-N 3.12Å; A32-H34 PolarHBondContact O-ND1 3.47Å
35V44.1Very low43.7Very low7 Ų795 Ų954%0.04249%0.491CS..EExtended strand (participates in β ladder)trans-101.2112173.9-169.50000108.4E27 K29 Y37 C50E27-V35 HydrophobicContact CG-CG1 3.86Å; K29-V35 HydrophobicContact CG-CG2 4.48Å; V35-Y37 HydrophobicContact CB-CE2 4.2Å; V35-Y37 HydrophobicContact CG1-CD2 4.18Å; V35-Y37 HydrophobicContact CG1-CE1 4Å; V35-Y37 HydrophobicContact CG1-CE2 3.61Å; V35-C50 PolarHBondContact O-N 3.05Å; V35-C50 VanDerWaalsContact O-N 3.14Å
36E37.1Very low43.9Very low35 Ų3594.5 Ų94.516%0.16449%0.486CS..EExtended strand (participates in β ladder)trans-91.8123.2169.7-169.5179.8122.600109F28 Q38 Q47 Y49F28-E36 PolarHBondContact N-O 3.1Å; F28-E36 VanDerWaalsContact N-O 3.17Å; F28-E36 PolarHBondContact O-N 3.28Å; F28-E36 VanDerWaalsContact O-N 3.08Å; E36-Q38 WeakPolarHBondContact OE1-CG 3.46Å; E36-Q38 PolarHBondContact OE1-NE2 3.48Å; E36-Q47 PolarHBondContact OE1-NE2 3.35Å; E36-Q47 PolarHBondContact OE2-NE2 3.09Å; E36-Y49 HydrophobicContact CB-CD1 4.48Å; E36-Y49 HydrophobicContact CB-CE1 4.24Å; E36-Y49 HydrophobicContact CG-CD1 4.35Å; E36-Y49 HydrophobicContact CG-CE1 3.91Å; E36-Y49 WeakPolarHBondContact OE2-CE1 3.22Å; E36-Y49 PolarHBondContact OE2-OH 3.39Å
37Y43.5Very low43.8Very low58 Ų5897.4 Ų97.423%0.22750%0.495CS..EExtended strand (participates in β ladder)trans-101.8120.3170.6-67.2-74.8000109.4L25 E27 V35 F48 C50L25-Y37 HydrophobicContact CD1-CD1 4.21Å; L25-Y37 HydrophobicContact CD2-CD1 4.32Å; L25-Y37 HydrophobicContact CG-CD1 4.48Å; E27-Y37 HydrophobicContact CG-CE1 4.33Å; V35-Y37 HydrophobicContact CB-CE2 4.2Å; V35-Y37 HydrophobicContact CG1-CD2 4.18Å; V35-Y37 HydrophobicContact CG1-CE1 4Å; V35-Y37 HydrophobicContact CG1-CE2 3.61Å; Y37-F48 PolarHBondContact N-O 2.98Å; Y37-F48 PolarHBondContact O-N 3.37Å; Y37-C50 HydrophobicContact CD2-CB 4.19Å; Y37-C50 HydrophobicContact CE2-CB 3.91Å
38Q40Very low43.9Very low56 Ų5697.2 Ų97.226%0.26249%0.493SS..EExtended strand (participates in β ladder)trans-103.1121.9167.9-62-169.46.100109.5S26 E36 H46 Q47S26-Q38 PolarHBondContact N-O 2.94Å; S26-Q38 PolarHBondContact O-N 3.26Å; E36-Q38 WeakPolarHBondContact OE1-CG 3.46Å; E36-Q38 PolarHBondContact OE1-NE2 3.48Å; Q38-H46 WeakPolarHBondContact CA-O 3.49Å; Q38-Q47 HydrophobicContact CG-CG 4.26Å
39M44.4Very low43.7Very low62 Ų6298.3 Ų98.331%0.30549%0.494SS..EExtended strand (participates in β ladder)trans-113.4125.1172.1-175.7178.666.300109.5H46M39-H46 PolarHBondContact N-O 3.31Å; M39-H46 VanDerWaalsContact N-O 3.08Å; M39-H46 PolarHBondContact O-N 2.82Å
40K43.3Very low43.3Very low118 Ų11895 Ų9551%0.51349%0.487SS..EExtended strand (participates in β ladder)trans-96.4128167.8-80.9-177.5174.6178.10110.7E44 T45K40-E44 WeakPolarHBondContact CA-O 3.37Å; K40-T45 WeakPolarHBondContact CE-OG1 3.08Å; K40-T45 HydrophobicContact CG-CG2 4.16Å; K40-T45 WeakPolarHBondContact CG-OG1 3.19Å
41K51.3Low42.8Very low108 Ų10896.3 Ų96.347%0.4749%0.487SS..EExtended strand (participates in β ladder)trans-142.2131.6171.9-169.8174.8-178.5179.50108.7G43 E44K41-G43 PolarHBondContact O-N 3.29Å; K41-E44 PolarHBondContact N-O 3.2Å; K41-E44 VanDerWaalsContact N-O 3.07Å; K41-E44 PolarHBondContact O-N 3.13Å
42N42.2Very low42.3Very low157 Ų15792.5 Ų92.584%0.8447%0.469SS*.THydrogen-bonded Turntrans54.320.9177.7-57.42.4000115.8
43G46.6Very low41.3Very low72 Ų7296.9 Ų96.974%0.74248%0.481SS*.THydrogen-bonded Turntrans95.7-21.5-175.700000114.3K41K41-G43 PolarHBondContact O-N 3.29Å
44E38.4Very low40.7Very low130 Ų13097.7 Ų97.761%0.60748%0.481SS*.EExtended strand (participates in β ladder)trans-75.3142.9174.2-59.9-177.4139.300110.3K40 K41K40-E44 WeakPolarHBondContact CA-O 3.37Å; K41-E44 PolarHBondContact N-O 3.2Å; K41-E44 VanDerWaalsContact N-O 3.07Å; K41-E44 PolarHBondContact O-N 3.13Å
45T46.3Very low40Very low69 Ų69100.9 Ų100.942%0.42350%0.496SS..EExtended strand (participates in β ladder)trans-119.1112.6-179.2-54.40000108.8K40K40-T45 WeakPolarHBondContact CE-OG1 3.08Å; K40-T45 HydrophobicContact CG-CG2 4.16Å; K40-T45 WeakPolarHBondContact CG-OG1 3.19Å
46H42.1Very low39.4Very low80 Ų80104.1 Ų104.137%0.3752%0.519SS..EExtended strand (participates in β ladder)trans-103.2126.8178.7-58.8-93.7000109.9Q38 M39 F48Q38-H46 WeakPolarHBondContact CA-O 3.49Å; M39-H46 PolarHBondContact N-O 3.31Å; M39-H46 VanDerWaalsContact N-O 3.08Å; M39-H46 PolarHBondContact O-N 2.82Å; H46-F48 HydrophobicContact CB-CD2 4.3Å; H46-F48 HydrophobicContact CB-CE2 3.46Å; H46-F48 VanDerWaalsContact CB-CE2 3.46Å; H46-F48 HydrophobicContact CB-CZ 3.75Å
47Q41.1Very low39.2Very low109 Ų109107.4 Ų107.451%0.50954%0.541SS..EExtended strand (participates in β ladder)trans-95.7130.9172-63.9-179.7-82.200109.5E36 Q38E36-Q47 PolarHBondContact OE1-NE2 3.35Å; E36-Q47 PolarHBondContact OE2-NE2 3.09Å; Q38-Q47 HydrophobicContact CG-CG 4.26Å
48F45.5Very low38.7Very low99 Ų99111.1 Ų111.143%0.43456%0.564SS.*EExtended strand (participates in β ladder)trans-126.6128.5174-59-83.5000110.4Y37 H46Y37-F48 PolarHBondContact N-O 2.98Å; Y37-F48 PolarHBondContact O-N 3.37Å; H46-F48 HydrophobicContact CB-CD2 4.3Å; H46-F48 HydrophobicContact CB-CE2 3.46Å; H46-F48 VanDerWaalsContact CB-CE2 3.46Å; H46-F48 HydrophobicContact CB-CZ 3.75Å
49Y38.9Very low38.4Very low145 Ų145116 Ų11657%0.56959%0.592SS**EExtended strand (participates in β ladder)trans-93.5115.3174.2-66.8-66.2000110.2E36E36-Y49 HydrophobicContact CB-CD1 4.48Å; E36-Y49 HydrophobicContact CB-CE1 4.24Å; E36-Y49 HydrophobicContact CG-CD1 4.35Å; E36-Y49 HydrophobicContact CG-CE1 3.91Å; E36-Y49 WeakPolarHBondContact OE2-CE1 3.22Å; E36-Y49 PolarHBondContact OE2-OH 3.39Å
50C36.8Very low37.8Very low65 Ų65117.3 Ų117.344%0.43961%0.607SS.*EExtended strand (participates in β ladder)trans-95.4122170.2-165.40000109.8V35 Y37 Q52V35-C50 PolarHBondContact O-N 3.05Å; V35-C50 VanDerWaalsContact O-N 3.14Å; Y37-C50 HydrophobicContact CD2-CB 4.19Å; Y37-C50 HydrophobicContact CE2-CB 3.91Å; C50-Q52 PolarHBondContact O-N 2.83Å
51F31.3Very low37.2Very low160 Ų160115.5 Ų115.570%0.70261%0.61SS**EExtended strand (participates in β ladder)trans-85.598.8171.1-65.3-75.8000109.3M53F51-M53 PolarHBondContact O-N 2.96Å; F51-M53 VanDerWaalsContact O-N 3.17Å
52Q34Very low36.2Very low130 Ų130116.5 Ų116.561%0.60763%0.63SS**  trans-67.2111.7170.3-173.6166.8-26.300108.8C50C50-Q52 PolarHBondContact O-N 2.83Å
53M29.8Very low35.7Very low154 Ų154117.7 Ų117.776%0.75963%0.631SS**  trans-74.1133.5168.4-67.8-167.2-62.700108.6F51 E55F51-M53 PolarHBondContact O-N 2.96Å; F51-M53 VanDerWaalsContact O-N 3.17Å; M53-E55 PolarHBondContact O-N 3.3Å
54E30Very low35Very low143 Ų143120 Ų12067%0.66863%0.625SS**  trans-59.6133.8171.9-65.1179.2-170.100110.5S56 V57E54-S56 WeakPolarHBondContact CB-OG 3.31Å; E54-S56 PolarHBondContact O-N 3.42Å; E54-S56 PolarHBondContact OE2-OG 3.38Å; E54-V57 PolarHBondContact O-N 3.27Å
55E33.1Very low34.7Very low161 Ų161118.3 Ų118.375%0.75262%0.624SS**G310 helixtrans-61.5-12.7174.7-66.7178.2114.600113M53 V57 L58M53-E55 PolarHBondContact O-N 3.3Å; E55-V57 PolarHBondContact O-N 2.69Å; E55-V57 VanDerWaalsContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 2.77Å
56S31.6Very low34.2Very low76 Ų76121 Ų12153%0.53164%0.64SS.*G310 helixtrans-55.4-24174.464.40000113.9E54E54-S56 WeakPolarHBondContact CB-OG 3.31Å; E54-S56 PolarHBondContact O-N 3.42Å; E54-S56 PolarHBondContact OE2-OG 3.38Å
57V33.9Very low33.9Very low103 Ų103123.1 Ų123.162%0.62465%0.654SS**G310 helixtrans-89.9-14.9-176.8-1710000113.1E54 E55 S60E54-V57 PolarHBondContact O-N 3.27Å; E55-V57 PolarHBondContact O-N 2.69Å; E55-V57 VanDerWaalsContact O-N 3.12Å; V57-S60 PolarHBondContact O-OG 3.29Å
58L32.5Very low33.7Very low136 Ų136122.5 Ų122.571%0.71265%0.651SS**THydrogen-bonded Turntrans-93.5-17.5-172.8-71170.8000114.7E55 S60E55-L58 PolarHBondContact O-N 2.77Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 2.83Å
59N32.7Very low33.1Very low158 Ų158123.1 Ų123.185%0.84566%0.659SS**THydrogen-bonded Turntrans-90.524.4-176.7-78-33.1000114.5
60S32.2Very low32.8Very low91 Ų91119 Ų11964%0.63665%0.651SS**THydrogen-bonded Turntrans-132.415.9-171.755.40000116.1V57 L58V57-S60 PolarHBondContact O-OG 3.29Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 2.83Å
61S30.4Very low32.6Very low80 Ų80122 Ų12256%0.55966%0.659SS**  trans-147.175.8170.3-74.90000112.3E63S61-E63 PolarHBondContact O-N 2.96Å
62S30.8Very low32.7Very low128 Ų128121.6 Ų121.690%0.89565%0.654SS**THydrogen-bonded Turntrans-76.551.4-179.460.10000114
63E32.2Very low32.7Very low183 Ų183119.7 Ų119.786%0.85565%0.647SS**THydrogen-bonded Turntrans-155.1-6.5-178.9-129.1163.4-140.100115.5S61 T65S61-E63 PolarHBondContact O-N 2.96Å; E63-T65 PolarHBondContact O-N 3.09Å
64L31.6Very low33Very low121 Ų121118.4 Ų118.463%0.63464%0.639SS**  trans-78.3117.8-177.4-65.8170.9000111.6
65T32.4Very low33Very low94 Ų94117.5 Ų117.558%0.57764%0.637SS**  trans-69.1150.4-170.165.40000113.8E63 N67 Q68E63-T65 PolarHBondContact O-N 3.09Å; T65-N67 PolarHBondContact O-N 3.48Å; T65-Q68 PolarHBondContact O-N 2.97Å; T65-Q68 VanDerWaalsContact O-N 3.14Å
66V35.8Very low32.9Very low126 Ų126114.4 Ų114.476%0.76463%0.625SS**THydrogen-bonded Turntrans-50.8-26.5-171.8177.40000114.5
67N36Very low32.9Very low123 Ų123116.8 Ų116.866%0.65863%0.626SS**THydrogen-bonded Turntrans-66.6-36.7-178.7-72.2-7.9000113.7T65 N69 S70T65-N67 PolarHBondContact O-N 3.48Å; N67-N69 VanDerWaalsContact C-N 3.3Å; N67-N69 PolarHBondContact O-N 3.28Å; N67-S70 VanDerWaalsContact O-CB 3.31Å; N67-S70 WeakPolarHBondContact O-CB 3.36Å; N67-S70 PolarHBondContact O-N 3.43Å; N67-S70 PolarHBondContact O-OG 2.99Å
68Q35.5Very low32.7Very low97 Ų97114.8 Ų114.845%0.45362%0.616SS.*Hα-helixtrans-68.4-28.9-173.3-71.5-179.1-1900113.1T65 S70T65-Q68 PolarHBondContact O-N 2.97Å; T65-Q68 VanDerWaalsContact O-N 3.14Å; Q68-S70 PolarHBondContact O-N 3.47Å
69N33.4Very low32.7Very low112 Ų112113.8 Ų113.860%0.59961%0.611SS**Hα-helixtrans-68.7-21.3173.2-70.2-27.3000112.6N67 L73N67-N69 VanDerWaalsContact C-N 3.3Å; N67-N69 PolarHBondContact O-N 3.28Å; N69-L73 WeakPolarHBondContact O-CG 3.29Å; N69-L73 PolarHBondContact O-N 3.29Å
70S33.5Very low32.7Very low58 Ų58113.4 Ų113.441%0.40660%0.602SS.*Hα-helixtrans-74.3-36.9-178.477.90000113N67 Q68 L73 Q74N67-S70 VanDerWaalsContact O-CB 3.31Å; N67-S70 WeakPolarHBondContact O-CB 3.36Å; N67-S70 PolarHBondContact O-N 3.43Å; N67-S70 PolarHBondContact O-OG 2.99Å; Q68-S70 PolarHBondContact O-N 3.47Å; S70-L73 CarbonylContact O-C 3.58Å; S70-L73 PolarHBondContact O-N 3.26Å; S70-Q74 PolarHBondContact O-N 3Å
71E33.2Very low32.8Very low129 Ų129114.3 Ų114.360%0.60360%0.6SS**Hα-helixtrans-69.2-40.7179.7-62.3-176.3142.500111.2L73 Q74 M75E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.49Å; E71-Q74 WeakPolarHBondContact O-CA 3.36Å; E71-Q74 WeakPolarHBondContact O-CB 3.34Å; E71-Q74 PolarHBondContact O-N 3.03Å; E71-M75 PolarHBondContact O-N 3.13Å
72Y31.5Very low32.9Very low150 Ų150117.4 Ų117.459%0.58861%0.61SS**Hα-helixtrans-65.2-32.2175-125.5-88.6000112.6N76Y72-N76 PolarHBondContact O-ND2 2.94Å
73L34.9Very low33Very low91 Ų91121.8 Ų121.848%0.47661%0.608SS.*Hα-helixtrans-76.5-20.7170.1-75168000113.1N69 S70 E71 K77N69-L73 WeakPolarHBondContact O-CG 3.29Å; N69-L73 PolarHBondContact O-N 3.29Å; S70-L73 CarbonylContact O-C 3.58Å; S70-L73 PolarHBondContact O-N 3.26Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.49Å; L73-K77 WeakPolarHBondContact O-CD 3.32Å; L73-K77 VanDerWaalsContact O-CG 3.3Å; L73-K77 WeakPolarHBondContact O-CG 3.45Å
74Q36.6Very low32.8Very low126 Ų126119.6 Ų119.659%0.58960%0.603SS**Hα-helixtrans-80.2-41.3174.5-99.7176.5-20.600112.8S70 E71 N76 K77 S78S70-Q74 PolarHBondContact O-N 3Å; E71-Q74 WeakPolarHBondContact O-CA 3.36Å; E71-Q74 WeakPolarHBondContact O-CB 3.34Å; E71-Q74 PolarHBondContact O-N 3.03Å; Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 3.42Å; Q74-K77 WeakPolarHBondContact O-CA 3.39Å; Q74-K77 WeakPolarHBondContact O-CB 3.35Å; Q74-K77 PolarHBondContact O-N 3.03Å; Q74-S78 PolarHBondContact O-N 2.95Å; Q74-S78 PolarHBondContact O-OG 3.48Å
75M29.7Very low32.8Very low125 Ų125125.2 Ų125.262%0.61662%0.615SS**Hα-helixtrans-58.9-39.8176.7-76.8-17368.800112.8E71 K77 S78 I79E71-M75 PolarHBondContact O-N 3.13Å; M75-K77 VanDerWaalsContact C-N 3.33Å; M75-S78 PolarHBondContact O-N 3.1Å; M75-S78 PolarHBondContact O-OG 2.8Å; M75-I79 WeakPolarHBondContact O-CG1 3.12Å; M75-I79 PolarHBondContact O-N 3.34Å
76N30.1Very low32.5Very low95 Ų95128.4 Ų128.451%0.50863%0.629SS.*Hα-helixtrans-70.2-30.8175.9-71.9-70.4000112.4Y72 Q74 F80Y72-N76 PolarHBondContact O-ND2 2.94Å; Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 3.42Å; N76-F80 PolarHBondContact O-N 2.77Å
77K32.8Very low32.2Very low127 Ų127128.6 Ų128.655%0.55263%0.63SS**Hα-helixtrans-69.4-38.2173.4-77.2171.7-178.6173.90112.7L73 Q74 M75 F80 N81L73-K77 WeakPolarHBondContact O-CD 3.32Å; L73-K77 VanDerWaalsContact O-CG 3.3Å; L73-K77 WeakPolarHBondContact O-CG 3.45Å; Q74-K77 WeakPolarHBondContact O-CA 3.39Å; Q74-K77 WeakPolarHBondContact O-CB 3.35Å; Q74-K77 PolarHBondContact O-N 3.03Å; M75-K77 VanDerWaalsContact C-N 3.33Å; K77-F80 PolarHBondContact O-N 3.44Å; K77-N81 WeakPolarHBondContact O-CB 3.3Å; K77-N81 PolarHBondContact O-N 3.25Å; K77-N81 PolarHBondContact O-ND2 2.88Å; K77-N81 VanDerWaalsContact O-ND2 3.14Å
78S29.7Very low31.6Very low60 Ų60128.4 Ų128.442%0.4264%0.639SS.*Hα-helixtrans-67.9-36.6178.146.40000112.5Q74 M75 F80 N82Q74-S78 PolarHBondContact O-N 2.95Å; Q74-S78 PolarHBondContact O-OG 3.48Å; M75-S78 PolarHBondContact O-N 3.1Å; M75-S78 PolarHBondContact O-OG 2.8Å; S78-F80 VanDerWaalsContact C-N 3.33Å; S78-F80 PolarHBondContact O-N 2.82Å; S78-N82 PolarHBondContact O-N 2.73Å
79I31.9Very low31.4Very low115 Ų115130.1 Ų130.159%0.5966%0.656SS**Hα-helixtrans-62.3-39.2174.9-65.5168.2000111.5M75M75-I79 WeakPolarHBondContact O-CG1 3.12Å; M75-I79 PolarHBondContact O-N 3.34Å
80F32.6Very low31Very low151 Ų151131.5 Ų131.566%0.66266%0.663SS**Hα-helixtrans-82.7-31.9177.6-95.8-96.9000114.8N76 K77 S78 N82N76-F80 PolarHBondContact O-N 2.77Å; K77-F80 PolarHBondContact O-N 3.44Å; S78-F80 VanDerWaalsContact C-N 3.33Å; S78-F80 PolarHBondContact O-N 2.82Å; F80-N82 PolarHBondContact O-N 3.32Å
81N33.7Very low30.7Very low110 Ų110141.1 Ų141.159%0.58869%0.691SS**Hα-helixtrans-77.1-18.4-175.4-76.2-28.6000114.2K77 Y83 N84K77-N81 WeakPolarHBondContact O-CB 3.3Å; K77-N81 PolarHBondContact O-N 3.25Å; K77-N81 PolarHBondContact O-ND2 2.88Å; K77-N81 VanDerWaalsContact O-ND2 3.14Å; N81-Y83 PolarHBondContact O-N 3.23Å; N81-Y83 VanDerWaalsContact O-N 3.08Å; N81-N84 PolarHBondContact O-N 2.88Å
82N33.5Very low30.6Very low145 Ų145140.1 Ų140.178%0.77569%0.694SS**THydrogen-bonded Turntrans-65.4-8177.9-79.1-9.7000114.1S78 F80S78-N82 PolarHBondContact O-N 2.73Å; F80-N82 PolarHBondContact O-N 3.32Å
83Y32.1Very low30.4Very low219 Ų219140.2 Ų140.286%0.85971%0.705SS**THydrogen-bonded Turntrans-91.23.5176.2-96.9-83.3000115.2N81N81-Y83 PolarHBondContact O-N 3.23Å; N81-Y83 VanDerWaalsContact O-N 3.08Å
84N28.5Very low30Very low138 Ų138142.1 Ų142.174%0.73872%0.724SS**SBendtrans-153.673.2-176.6-147.5-10.3000115.5N81N81-N84 PolarHBondContact O-N 2.88Å
85R30.7Very low29.6Very low238 Ų238141.5 Ų141.590%0.89873%0.729SS**  trans-160.1138.5159.7-111.4161.7-151.8-115.70.1113.1
86N26.6Very low29.6Very low162 Ų162144.5 Ų144.587%0.86674%0.739SS**  trans-88.5110.8-176.1-61.1-20.9000112.1
87T29.3Very low29.5Very low129 Ų129145.9 Ų145.979%0.79175%0.75SS**  trans-150.494.4159.647.80000107.7
88S24.3Very low29.3Very low120 Ų120144.5 Ų144.584%0.83976%0.757SS**  71.670.970.6-169.70000114.1
89T30.9Very low29.1Very low133 Ų133150.9 Ų150.982%0.81678%0.78SS**  trans-142.5137156.145.80000109.1
90D24.4Very low29Very low140 Ų140151.2 Ų151.275%0.74979%0.792SS**  trans-73.2141.9-162.6-48.1-88000115.5
91W28Very low28.7Very low260 Ų260152.6 Ų152.699%0.98580%0.801SS**  trans-141119.1142.9-86.893.2000109.3
92T31.2Very low28.4Very low108 Ų108156.5 Ų156.566%0.66382%0.816SS**  trans-93.8146.2-172.852.10000113.3
93N27Very low28.2Very low153 Ų153160 Ų16082%0.81882%0.819SS**  trans59.4102.3153.3-60.7-24000118.5
94C27.2Very low28Very low131 Ų131157.8 Ų157.889%0.88582%0.817SS**  -149.7144.3105.9-150.30000110.5
95T26.5Very low28.2Very low113 Ų113157.6 Ų157.669%0.69382%0.821SS**  trans-131.4155.7179.457.90000110.7
96K30Very low28Very low188 Ų188154.7 Ų154.782%0.81782%0.815SS**  trans77138.9-176.9-49.1168.2-173.8174.70112.3
97T28.4Very low28.4Very low123 Ų123151.7 Ų151.776%0.75581%0.805SS**  cis-155.8155.45.2-7.10000112.5
98S28.3Very low28.5Very low98 Ų98152.1 Ų152.169%0.68581%0.806SS**  trans60.9102.7149.1-550000121.6
99Q26.2Very low28.8Very low195 Ų195156 Ų15691%0.91180%0.804SS**  46.191.7126.8-64.6179.4-2300120.2
100S29.7Very low28.8Very low121 Ų121154.8 Ų154.885%0.84679%0.793SS**  trans-156.3165.7131.360.10000110
101H26Very low29.2Very low180 Ų180156 Ų15683%0.83379%0.792SS**  trans-86.2126.5179.9-78.5-106.4000111.6
102E28.3Very low29.4Very low193 Ų193148.7 Ų148.790%0.90278%0.776SS**  trans-157.1146.1149.9-122.7163.9-160.200111.4
103Y28.4Very low29.6Very low217 Ų217147.4 Ų147.485%0.85177%0.771SS**  trans-93.1120.7-174.5-75.5-97.4000111.1T105Y103-T105 PolarHBondContact O-N 3.25Å
104Q28.1Very low29.9Very low174 Ų174147.7 Ų147.781%0.81377%0.766SS**  trans-85.2102.2167-73.8-172.2-22.800110.7
105T32.6Very low30.4Very low133 Ų133149.8 Ų149.882%0.81676%0.762SS**PPolyproline II helixtrans-84.1117.2172.939.20000111.1Y103Y103-T105 PolarHBondContact O-N 3.25Å
106F27.5Very low30.7Very low177 Ų177153.4 Ų153.478%0.77677%0.765SS**PPolyproline II helixtrans-77.8147.1171.4-77.9-93000111.4
107P33.3Very low31Very low100 Ų100152.8 Ų152.865%0.64976%0.764SS**PPolyproline II helixtrans-69.9133.6-175.5-18.832.5000113.2Y109P107-Y109 PolarHBondContact O-N 3.08Å
108V32.5Very low31.4Very low137 Ų137156.5 Ų156.583%0.8376%0.764SS**  trans-74.2110.5165.51780000108.1
109Y31.3Very low31.8Very low201 Ų201160.4 Ų160.479%0.78877%0.771SS**  trans-68.2152178.6-90.3-94.4000112.8P107 F111P107-Y109 PolarHBondContact O-N 3.08Å; Y109-F111 PolarHBondContact O-N 2.99Å
110D30.2Very low32.4Very low109 Ų109159 Ų15958%0.58376%0.764SS**  trans-68.5114.5-167.5-157.2-41000113.1T112D110-T112 PolarHBondContact O-N 3.46Å; D110-T112 VanDerWaalsContact OD1-CB 3.3Å; D110-T112 WeakPolarHBondContact OD1-CB 3.33Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.5Å; D110-T112 PolarHBondContact OD1-N 2.78Å; D110-T112 PolarHBondContact OD1-OG1 3.19Å
111F32.5Very low32.8Very low165 Ų165161.8 Ų161.872%0.72476%0.764SS**THydrogen-bonded Turntrans-70-7.7-179.2-106.9-89.1000114Y109 S113Y109-F111 PolarHBondContact O-N 2.99Å; F111-S113 VanDerWaalsContact C-N 3.27Å; F111-S113 PolarHBondContact O-N 3.38Å
112T33.2Very low33.3Very low106 Ų106161.4 Ų161.465%0.6577%0.767SS**THydrogen-bonded Turntrans-65.4-27177.655.90000113.5D110D110-T112 PolarHBondContact O-N 3.46Å; D110-T112 VanDerWaalsContact OD1-CB 3.3Å; D110-T112 WeakPolarHBondContact OD1-CB 3.33Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.5Å; D110-T112 PolarHBondContact OD1-N 2.78Å; D110-T112 PolarHBondContact OD1-OG1 3.19Å
113S34.7Very low33.7Very low81 Ų81157.8 Ų157.857%0.56676%0.758SS**G310 helixtrans-70.5-35-177.2-1680000113.5F111 Q115 Y116F111-S113 VanDerWaalsContact C-N 3.27Å; F111-S113 PolarHBondContact O-N 3.38Å; S113-Q115 PolarHBondContact O-N 3.34Å; S113-Q115 VanDerWaalsContact O-N 3.13Å; S113-Y116 PolarHBondContact O-N 3.07Å; S113-Y116 VanDerWaalsContact O-N 3.16Å
114F32.6Very low33.9Very low160 Ų160152.9 Ų152.970%0.70276%0.756SS**G310 helixtrans-67.4-16.9-174.2-82.9-76.6000114.9Y116F114-Y116 VanDerWaalsContact C-N 3.29Å; F114-Y116 PolarHBondContact O-N 3.01Å
115Q38.1Very low34.4Very low175 Ų175153 Ų15382%0.81876%0.756SS**G310 helixtrans-75-19.6177.2-149.8172.633.500112.8S113S113-Q115 PolarHBondContact O-N 3.34Å; S113-Q115 VanDerWaalsContact O-N 3.13Å
116Y34Very low34.5Very low189 Ų189158 Ų15874%0.74176%0.762SS**G310 helixtrans-79.2-24.8-176.7-118.7-84.9000114.4S113 F114 R118S113-Y116 PolarHBondContact O-N 3.07Å; S113-Y116 VanDerWaalsContact O-N 3.16Å; F114-Y116 VanDerWaalsContact C-N 3.29Å; F114-Y116 PolarHBondContact O-N 3.01Å; Y116-R118 VanDerWaalsContact C-N 3.32Å; Y116-R118 PolarHBondContact O-N 3.42Å
117H35.4Very low34.7Very low174 Ų174156.9 Ų156.981%0.80676%0.764SS**G310 helixtrans-80.6-5-178.8-9763.8000114.7
118R37.2Very low34.9Very low202 Ų202160.6 Ų160.676%0.76277%0.773SS**G310 helixtrans-90.12.5-169.5-159.5176.3162.8-178-5.1115.3Y116Y116-R118 VanDerWaalsContact C-N 3.32Å; Y116-R118 PolarHBondContact O-N 3.42Å
119H36.7Very low34.9Very low179 Ų179164.8 Ų164.883%0.82978%0.775SS**SBendtrans-113.8-3.1-172-122.4100.5000116.7
120H38Very low35.2Very low165 Ų165164.1 Ų164.176%0.76478%0.779SS**SBendtrans-109.111.5-166.6-134.2-71.4000116.2
121H39.3Very low35.3Very low180 Ų180170.4 Ų170.483%0.83379%0.794SS**SBendtrans-120.911.6-168.7-121.1-72.4000115.9
122L36.7Very low35.6Very low172 Ų172170.9 Ų170.990%0.90180%0.799SS**SBendtrans-120.96.7-176.5-82167.6000114.9
123T35.1Very low35.7Very low117 Ų117173.7 Ų173.772%0.71881%0.809SS**SBendtrans-102.33.2-177.243.30000114.5
124S33.8Very low35.7Very low115 Ų115177.7 Ų177.780%0.80482%0.818SS**SBendtrans-106.127.9-166.1-152.20000115.3
125Q38Very low35.8Very low175 Ų175177.2 Ų177.282%0.81882%0.823SS**SBendtrans-13810.6177.6-75-162.7-17.500115.6
126Y33.8Very low35.7Very low238 Ų238174.3 Ų174.393%0.93382%0.819SS**  trans-125.960.2175.1-92-85.5000111.8
127D33.1Very low35.9Very low155 Ų155173.8 Ų173.883%0.82983%0.828SS**  trans-14480.4171.8-156.90.9000110.7
128H36Very low35.8Very low178 Ų178174 Ų17482%0.82483%0.828SS**  trans-151.138.7-177.2-149.674000115.1
129Y33.2Very low35.6Very low224 Ų224169.6 Ų169.688%0.87883%0.829SS**SBendtrans-141144.8164-93.4-80.4000111.4
130Q37.3Very low35.6Very low187 Ų187166.4 Ų166.487%0.87482%0.822SS**  trans7280.7177.6-50.8-156.317.200117.8
131R33.1Very low35.4Very low241 Ų241168.4 Ų168.491%0.90982%0.824SS**  trans-130.573.4148.4-83.3-169.7171.2173.5-0.8111.3
132H38.3Very low35.4Very low176 Ų176165.9 Ų165.982%0.81582%0.824SS**  trans-142.8122.3171.8-77-50.2000111.8
133L36.2Very low35.3Very low164 Ų164164.9 Ų164.986%0.85982%0.819SS**  trans69149171.1-47.4168.8000113.4
134H34.8Very low35.3Very low166 Ų166167.6 Ų167.677%0.76982%0.823SS**  cis-147.316220.5-150-85.3000112.3
135N34.1Very low35.4Very low149 Ų149169 Ų16980%0.79782%0.816SS**  trans-78.8152.2174.8-95.4-9.3000113
136P36.6Very low35.2Very low114 Ų114166.2 Ų166.274%0.7481%0.805SS**  trans-96148-175.937-35.4000115.3
137I37.1Very low35.2Very low179 Ų179162.9 Ų162.992%0.91880%0.796SS**  trans-141.9157.5165.2-60.7-175.4000108.9
138H33.1Very low35.3Very low177 Ų177160.1 Ų160.182%0.81979%0.788SS**  trans-118.8135.7-155-165.5-79000114.3
139S33.5Very low35.4Very low110 Ų110159.5 Ų159.577%0.76978%0.783SS**  trans-175.2107.4165.9-174.70000111.6
140T37.3Very low35.5Very low113 Ų113157.1 Ų157.169%0.69377%0.774SS**  91.6110.276-55.60000116.3
141Y32.7Very low35.5Very low206 Ų206155.1 Ų155.181%0.80877%0.769SS**  trans-14.5173.1153.8-76.8-87.3000121.8
142P39.6Very low35.6Very low128 Ų128152.3 Ų152.383%0.83177%0.767SS**  cis-143.8-16825.337.2-11.9000120.1
143L34.9Very low35.5Very low150 Ų150149 Ų14979%0.78576%0.763SS**  trans-90.9160.2-167.7-87.5146.2000118.7
144H35.4Very low35.5Very low174 Ų174145.5 Ų145.581%0.80675%0.752SS**  trans-179.4167.1143.7-107.9-66000110.5
145H36.2Very low35.6Very low145 Ų145144.5 Ų144.567%0.67175%0.753SS**  cis-153.2108.3-5.6175.6-71.8000113.3
146M33.6Very low35.6Very low117 Ų117145.1 Ų145.158%0.57675%0.751SS**  trans37.2131.1132.4-55.6-99.957.500125.7
147F34.1Very low35.7Very low168 Ų168145.4 Ų145.474%0.73775%0.751SS**  trans88110.7136.4-69.7-45.2000126.6
148S33.2Very low35.5Very low97 Ų97143.9 Ų143.968%0.67874%0.744SS**  65.9134.3120.4-53.40000125.2
149K38.2Very low35.6Very low165 Ų165145.3 Ų145.372%0.71775%0.749SS**  172.2139.3108.9-95.9174.6171.7-174.80117
150Y36.6Very low35.7Very low173 Ų173148.1 Ų148.168%0.67875%0.749SS**  trans56.2125149.9-54.3-45.2000120.4
151D36.4Very low35.8Very low145 Ų145148.5 Ų148.578%0.77575%0.752SS**  72.3150.475.6-54.3-8.1000113.4
152E35.3Very low35.8Very low183 Ų183145.3 Ų145.386%0.85575%0.749SS**  cis-178127.5-28.6174.6-176.2-134.300106
153S37.6Very low36Very low105 Ų105146.7 Ų146.773%0.73475%0.747SS**  trans177.4113.1157.354.10000116.1
154S34.5Very low36.2Very low92 Ų92145.7 Ų145.764%0.64375%0.748SS**  39.8147.2128.871.70000124.7
155N36.6Very low36.4Very low144 Ų144144.4 Ų144.477%0.7774%0.742SS**  trans80.3151.1150.1-57.6-17.6000119.5
156E34.3Very low36.6Very low163 Ų163145.2 Ų145.276%0.76274%0.744SS**  cis-165.5-175.7-37.3-144.2-170.8-150.200109.7
157T38.9Very low36.9Very low120 Ų120148.2 Ų148.274%0.73676%0.756SS**  trans76.5138.416469.50000120.5
158N33.2Very low37.2Very low146 Ų146150.1 Ų150.178%0.78176%0.764SS**  trans-83161.7168.8-52.8-83.8000111
159F35.8Very low37.7Very low208 Ų208152.5 Ų152.591%0.91277%0.767SS**  -160.9140.5127.5-103.8-67.1000111.5
160Q35.3Very low37.6Very low168 Ų168151.3 Ų151.379%0.78577%0.769SS**  trans-129127.3172.7173.6169.9-14.800110.1
161T38.7Very low37.9Very low122 Ų122151.2 Ų151.275%0.74877%0.774SS**  trans-147.8124.1168.834.90000110.8
162D34.3Very low37.9Very low138 Ų138151.1 Ų151.174%0.73877%0.774SS**  trans-74.5134.1164.6-80-73000110.3
163I42.3Very low38.3Very low157 Ų157149.7 Ų149.781%0.80577%0.767SS**  trans-136.698.6160.1-55.2-178.4000109.5
164T39.3Very low38.3Very low130 Ų130148.9 Ų148.980%0.79876%0.761SS**  trans-102.8104.8162.254.30000110.1
165E40.1Very low39Very low146 Ų146151.4 Ų151.468%0.68277%0.768SS**  trans-175.1162.2142.7-113.9-170.2165.200113
166K39.9Very low39.3Very low162 Ų162152.1 Ų152.170%0.70477%0.766SS**  trans53.7113159.2-64.5150-178.9145.70117.3
167H40.6Very low39.8Very low180 Ų180150 Ų15083%0.83376%0.76SS**  -161.4124.1113-103.7-75.8000110.2
168K39.7Very low40Very low209 Ų209150 Ų15091%0.90976%0.755SS**  trans-151.565.5171.8-166.8-169.4176.9-174.30109.8
169I45.1Very low40.6Very low146 Ų146148.9 Ų148.975%0.74975%0.75SS**  trans-128.1145.5175.6-68.4175.7000107.9
170N35.3Very low41.1Very low140 Ų140146 Ų14675%0.74974%0.744SS**  trans-60.8158.4-173.3-44.8-35.5000112.9
171H43.6Very low41.4Very low171 Ų171143.8 Ų143.879%0.79274%0.742SS**  trans-141.3127.5136.1-131.1-69.6000110.7
172N36.2Very low41.9Very low144 Ų144141.9 Ų141.977%0.7773%0.734SS**  trans-96.8143.9161.7-68.8-9.9000107.8
173H43.3Very low42.5Very low153 Ų153142.3 Ų142.371%0.70874%0.736SS**  trans-157.4113.3149.9-111.8-96.4000103.5
174S37.5Very low42.8Very low87 Ų87141.6 Ų141.661%0.60873%0.734SS**  84.7153.174.9-62.10000111.9
175D48.5Very low43.2Very low146 Ų146141.1 Ų141.178%0.78173%0.731SS**  trans73.4135.2169.3-37.3-26.5000116.6
176E43.6Very low43.4Very low158 Ų158142 Ų14274%0.73874%0.735SS**  cis-158.3151.3-34.8-136.5-165.2-160.100111.3
177N44Very low43Very low118 Ų118139.1 Ų139.163%0.63173%0.734SS**  trans58.9139.2148.1-79.7-34.6000125.1
178N43.8Very low43.1Very low120 Ų120135.4 Ų135.464%0.64273%0.728SS**  trans92.784.1144.5-66.1-22.9000123.8
179N46.4Very low43.2Very low123 Ų123130.2 Ų130.266%0.65872%0.718SS**  84.3137108.6-62.9-13.2000123.6
180N46Very low43.1Very low148 Ų148131.4 Ų131.479%0.79173%0.726SS**  trans69.5143.6152.4-57.9-9.5000117.1
181T41.9Very low43.5Very low122 Ų122128.6 Ų128.675%0.74873%0.73SS**  cis-174.7153.6-6.7-105.70000108.6
182S48.6Very low43.6Very low82 Ų82125.6 Ų125.657%0.57373%0.728SS**  cis-169.4169.8-23.6-71.80000107.8
183N46.3Very low44.1Very low146 Ų146126 Ų12678%0.78173%0.73SS**  trans72.5152.4168-45.3-23.9000115.8
184N48.9Very low44.2Very low143 Ų143123.6 Ų123.677%0.76573%0.731SS**  cis-166.7168.3-18.9-93.9-6.2000105.9
185T48.6Very low44.8Very low120 Ų120123.9 Ų123.974%0.73673%0.733SS**  cis-113.1-177.10.951.60000109.8
186E43.3Very low44.7Very low165 Ų165123.6 Ų123.677%0.77173%0.732SS**  cis67138.634.8-63-169.4137.700117.5
187C32.4Very low44.8Very low100 Ų100122.4 Ų122.468%0.67673%0.73SS**  cis-167.2170-26.561.70000111.4
188S42Very low44.7Very low103 Ų103122.4 Ų122.472%0.7274%0.74SS**  trans43.7104.1148.6-54.60000120.4
189S41.9Very low45.1Very low99 Ų99125 Ų12569%0.69275%0.745SS**  78.8111.96974.70000117.1
190N43.6Very low45.4Very low172 Ų172125.6 Ų125.692%0.9275%0.754SS**  trans171144.8134.5-88.4-25.5000111.2
191G43.8Very low45.9Very low81 Ų81126.4 Ų126.484%0.83576%0.757SS**  trans159.671178.400000115.6
192S45Very low46.5Very low107 Ų107125.2 Ų125.275%0.74875%0.754SS**  trans-76.5137179.4-48.40000112.9
193N46.1Very low47.1Very low152 Ų152131 Ų13181%0.81377%0.769SS**  171.7147.9113.5-86.8-22000116.1
194S46.9Very low47.9Very low103 Ų103133.1 Ų133.172%0.7277%0.771SS**  trans66.9123.6146.5-62.40000123.3
195S48.5Very low48.9Very low93 Ų93131.9 Ų131.965%0.6577%0.773SS**  trans64.197.8134.767.60000120.3
196N47.8Very low50.2Low141 Ų141135.9 Ų135.975%0.75478%0.78SS**  168148.188.4-85.9-43.9000114.8
197N45.2Very low52Low132 Ų132139.5 Ų139.571%0.70679%0.787SS**  trans53.663.4155.1-71.9-33.4000119.3K199N197-K199 PolarHBondContact O-N 2.88Å
198S41.4Very low54.6Low119 Ų119138.8 Ų138.883%0.83279%0.788SS**  trans-6969.9154.946.80000111.6T200S198-T200 PolarHBondContact O-N 3.2Å
199K53.1Low56.9Low173 Ų173145.6 Ų145.675%0.75280%0.798SS**  trans-56.5111.6173.8-76.3-178.8177.2175.90109.3N197 L201N197-K199 PolarHBondContact O-N 2.88Å; K199-L201 PolarHBondContact O-N 2.75Å; K199-L201 VanDerWaalsContact O-N 3.11Å
200T52.8Low59.2Low137 Ų137145.8 Ų145.884%0.8480%0.795SS**  trans-60.4114.6-179.940.60000109.9S198 S202S198-T200 PolarHBondContact O-N 3.2Å; T200-S202 PolarHBondContact O-N 2.82Å
201L56.9Low61.6Low165 Ų165142 Ų14286%0.86479%0.788SS**  trans-65102.5178.3-78.285.9000108.9K199 K203K199-L201 PolarHBondContact O-N 2.75Å; K199-L201 VanDerWaalsContact O-N 3.11Å; L201-K203 PolarHBondContact O-N 2.71Å
202S54Low64.2Low97 Ų97141.3 Ų141.368%0.67876%0.761SS**  trans-58.8113.7173.749.70000108.7T200 K204T200-S202 PolarHBondContact O-N 2.82Å; S202-K204 PolarHBondContact O-N 3.42Å
203K61.8Low66.7Low204 Ų204139.5 Ų139.589%0.88775%0.746SS**  trans-66.484.6178.3-68.7178.4-179.5174.50108.5L201 S205L201-K203 PolarHBondContact O-N 2.71Å; K203-S205 PolarHBondContact O-N 2.77Å
204K63.2Low69.2Low189 Ų189138.7 Ų138.782%0.82274%0.737SS**  trans-50.4108.5-178.7-69.2-179.3180178.10108.8S202 K206S202-K204 PolarHBondContact O-N 3.42Å; K204-K206 PolarHBondContact O-N 3.49Å; K204-K206 VanDerWaalsContact O-N 3.12Å
205S68.1Low71.7Confident118 Ų118138.6 Ų138.683%0.82573%0.732SS**  trans-60.8117.4-173.2-173.70000109.7K203 R207K203-S205 PolarHBondContact O-N 2.77Å; S205-R207 PolarHBondContact O-N 2.79Å; S205-R207 VanDerWaalsContact O-N 3.09Å
206K77.2Confident74Confident203 Ų203135.5 Ų135.588%0.88371%0.707SS**  trans-67.8108.9174.8-71.4-177.5178.3179.60107.3K204 A208K204-K206 PolarHBondContact O-N 3.49Å; K204-K206 VanDerWaalsContact O-N 3.12Å; K206-A208 PolarHBondContact O-N 3.4Å
207R79.7Confident76.4Confident242 Ų242131.6 Ų131.691%0.91369%0.686SS**PPolyproline II helixtrans-48.9122.6179.6-177175.7-177.2148.63.1109.9S205S205-R207 PolarHBondContact O-N 2.79Å; S205-R207 VanDerWaalsContact O-N 3.09Å
208A87.1Confident79Confident85 Ų85129.5 Ų129.570%0.70267%0.674SS**PPolyproline II helixtrans-57.3140.118000000111K206 T210K206-A208 PolarHBondContact O-N 3.4Å; A208-T210 PolarHBondContact O-N 3.48Å
209R90.6Very high81.7Confident246 Ų246127 Ų12793%0.92865%0.649SS**PPolyproline II helixtrans-78.8116.6175.8-179-176.6-70.2176.6-2.8108.8
210T90Very high83.9Confident102 Ų102118.8 Ų118.863%0.62661%0.613SS**PPolyproline II helixtrans-77.9132169.452.40000110.1A208A208-T210 PolarHBondContact O-N 3.48Å
211A95.4Very high86Confident94 Ų94114.7 Ų114.778%0.77759%0.585SS**PPolyproline II helixtrans-83.8163.1165.600000110.6
212Y97.8Very high88Confident65 Ų65112.3 Ų112.326%0.25557%0.567SS.*PPolyproline II helixtrans-96.2151.1166.8-59.4-60.4000109.3L217 L244 Q248 W252Y212-L217 HydrophobicContact CD2-CD2 4.17Å; Y212-L217 HydrophobicContact CG-CD2 4.5Å; Y212-L244 HydrophobicContact CD1-CD1 3.83Å; Y212-L244 HydrophobicContact CD1-CD2 3.82Å; Y212-L244 HydrophobicContact CE1-CD1 3.77Å; Y212-L244 HydrophobicContact CE1-CD2 3.77Å; Y212-L244 HydrophobicContact CE1-CG 4.42Å; Y212-Q248 HydrophobicContact CE1-CB 4.29Å; Y212-Q248 HydrophobicContact CE1-CG 4.45Å; Y212-Q248 WeakPolarHBondContact OH-CB 3.36Å; Y212-W252 AromaticContact CE2-CD1 3.75Å
213T98.1Very high90.1Very high70 Ų70108.5 Ų108.543%0.42954%0.539SS..PPolyproline II helixtrans-72.5159.3173.166.60000111T215 Q216 L217T213-T215 PolarHBondContact O-N 3.31Å; T213-T215 PolarHBondContact OG1-OG1 3.05Å; T213-Q216 WeakPolarHBondContact O-CB 3.31Å; T213-Q216 PolarHBondContact O-N 2.84Å; T213-Q216 VanDerWaalsContact O-N 3.13Å; T213-Q216 WeakPolarHBondContact OG1-CB 3.5Å; T213-Q216 VanDerWaalsContact OG1-CG 3.27Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.43Å; T213-Q216 PolarHBondContact OG1-N 3.43Å; T213-Q216 VanDerWaalsContact OG1-N 3.1Å; T213-L217 WeakPolarHBondContact O-CG 3.35Å; T213-L217 PolarHBondContact O-N 3.39Å
214Q98.2Very high91.9Very high134 Ų13498.8 Ų98.863%0.62650%0.497SS*.Hα-helixtrans-57.5-38.4174.5-17659.91600112L217 I218Q214-L217 PolarHBondContact O-N 3.45Å; Q214-I218 HydrophobicContact CG-CD1 4.02Å; Q214-I218 WeakPolarHBondContact O-CG1 3.27Å; Q214-I218 PolarHBondContact O-N 2.77Å
215T98Very high93.5Very high101 Ų10197.8 Ų97.862%0.6249%0.488SS*.Hα-helixtrans-63.7-41.7175.2480000113T213 L217 I218 E219T213-T215 PolarHBondContact O-N 3.31Å; T213-T215 PolarHBondContact OG1-OG1 3.05Å; T215-L217 VanDerWaalsContact C-N 3.33Å; T215-L217 PolarHBondContact O-N 3.17Å; T215-I218 PolarHBondContact O-N 2.93Å; T215-E219 PolarHBondContact O-N 3.39Å
216Q98.5Very high94.9Very high29 Ų29101.2 Ų101.214%0.13648%0.484CS..Hα-helixtrans-62.8-40.4173.5-73.9170.4-21.400111.4T213 L220 L242 L244T213-Q216 WeakPolarHBondContact O-CB 3.31Å; T213-Q216 PolarHBondContact O-N 2.84Å; T213-Q216 VanDerWaalsContact O-N 3.13Å; T213-Q216 WeakPolarHBondContact OG1-CB 3.5Å; T213-Q216 VanDerWaalsContact OG1-CG 3.27Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.43Å; T213-Q216 PolarHBondContact OG1-N 3.43Å; T213-Q216 VanDerWaalsContact OG1-N 3.1Å; Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.34Å; Q216-L220 VanDerWaalsContact O-CD1 3.32Å; Q216-L220 WeakPolarHBondContact O-CD1 3.43Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 3.44Å; Q216-L242 HydrophobicContact CG-CB 4.3Å; Q216-L242 PolarHBondContact NE2-O 3.12Å; Q216-L244 HydrophobicContact CG-CD1 4.47Å
217L98.4Very high95.9Very high58 Ų5893.6 Ų93.630%0.30446%0.456SS..Hα-helixtrans-67-40.2179.2-68.5173.8000112.6Y212 T213 Q214 T215 L220 E221Y212-L217 HydrophobicContact CD2-CD2 4.17Å; Y212-L217 HydrophobicContact CG-CD2 4.5Å; T213-L217 WeakPolarHBondContact O-CG 3.35Å; T213-L217 PolarHBondContact O-N 3.39Å; Q214-L217 PolarHBondContact O-N 3.45Å; T215-L217 VanDerWaalsContact C-N 3.33Å; T215-L217 PolarHBondContact O-N 3.17Å; L217-L220 PolarHBondContact O-N 3.42Å; L217-E221 WeakPolarHBondContact O-CG 3.37Å; L217-E221 PolarHBondContact O-N 2.96Å
218I98.4Very high96.7Very high89 Ų8984.9 Ų84.946%0.45643%0.426SS..Hα-helixtrans-62.1-50.9178-70.6164.2000110.9Q214 T215 L220 E221 K222Q214-I218 HydrophobicContact CG-CD1 4.02Å; Q214-I218 WeakPolarHBondContact O-CG1 3.27Å; Q214-I218 PolarHBondContact O-N 2.77Å; T215-I218 PolarHBondContact O-N 2.93Å; I218-L220 VanDerWaalsContact C-N 3.34Å; I218-L220 PolarHBondContact O-N 3.06Å; I218-E221 PolarHBondContact O-N 3.27Å; I218-K222 WeakPolarHBondContact O-CB 3.38Å; I218-K222 PolarHBondContact O-N 3.47Å
219E98.4Very high97.3Very high66 Ų6688.5 Ų88.531%0.30842%0.423SS..Hα-helixtrans-67-34.1179.4-68.6-63.3120.200112.3T215 K222 E223 L242T215-E219 PolarHBondContact O-N 3.39Å; E219-K222 PolarHBondContact O-N 3.13Å; E219-K222 WeakPolarHBondContact OE1-CD 3.31Å; E219-K222 IonicContact OE1-NZ 2.83Å; E219-K222 PolarHBondContact OE1-NZ 3.23Å; E219-K222 WeakPolarHBondContact OE2-CD 3.26Å; E219-K222 IonicContact OE2-NZ 2.77Å; E219-K222 PolarHBondContact OE2-NZ 3.38Å; E219-E223 WeakPolarHBondContact O-CB 3.41Å; E219-E223 VanDerWaalsContact O-CG 3.31Å; E219-E223 WeakPolarHBondContact O-CG 3.38Å; E219-E223 PolarHBondContact O-N 3.11Å; E219-L242 HydrophobicContact CB-CD1 4.19Å; E219-L242 HydrophobicContact CB-CD2 3.72Å; E219-L242 HydrophobicContact CG-CD2 4.1Å
220L98.7Very high97.6Very high0 Ų078.1 Ų78.10%039%0.385CS..Hα-helixtrans-65.4-39.7173.4-75.3167.2000112.9Q216 L217 I218 F224 I238 L242 L244 I249 W252 F253Q216-L220 VanDerWaalsContact O-CB 3.3Å; Q216-L220 WeakPolarHBondContact O-CB 3.34Å; Q216-L220 VanDerWaalsContact O-CD1 3.32Å; Q216-L220 WeakPolarHBondContact O-CD1 3.43Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 3.42Å; I218-L220 VanDerWaalsContact C-N 3.34Å; I218-L220 PolarHBondContact O-N 3.06Å; L220-F224 WeakPolarHBondContact O-CB 3.38Å; L220-F224 PolarHBondContact O-N 2.62Å; L220-I238 HydrophobicContact CD2-CG2 4.25Å; L220-L242 HydrophobicContact CD1-CD1 4.42Å; L220-L242 HydrophobicContact CD2-CD1 3.93Å; L220-L242 HydrophobicContact CG-CD1 3.7Å; L220-L244 HydrophobicContact CD1-CD1 4.23Å; L220-I249 HydrophobicContact CD2-CD1 3.86Å; L220-W252 VanDerWaalsContact C-CH2 3.41Å; L220-W252 HydrophobicContact CB-CD2 3.93Å; L220-W252 HydrophobicContact CB-CE3 3.97Å; L220-W252 HydrophobicContact CB-CH2 3.73Å; L220-W252 HydrophobicContact CB-CZ2 3.65Å; L220-W252 HydrophobicContact CB-CZ3 3.87Å; L220-W252 HydrophobicContact CD1-CD2 3.97Å; L220-W252 HydrophobicContact CD1-CG 3.9Å; L220-W252 HydrophobicContact CD2-CD2 4.2Å; L220-W252 HydrophobicContact CD2-CE3 4.07Å; L220-W252 HydrophobicContact CG-CD2 4.26Å; L220-W252 HydrophobicContact CG-CE3 4.44Å; L220-W252 VanDerWaalsContact O-CH2 3.23Å; L220-W252 WeakPolarHBondContact O-CH2 3.27Å; L220-W252 VanDerWaalsContact O-CZ3 3.27Å; L220-W252 WeakPolarHBondContact O-CZ3 3.23Å; L220-F253 HydrophobicContact CD2-CE2 3.94Å
221E98.6Very high98Very high51 Ų5177 Ų7724%0.23838%0.381CS..Hα-helixtrans-67.7-44.1174.4-73-71.6162.600111.7L217 I218 E223 F224 W225 W252 R256L217-E221 WeakPolarHBondContact O-CG 3.37Å; L217-E221 PolarHBondContact O-N 2.96Å; I218-E221 PolarHBondContact O-N 3.27Å; E221-E223 PolarHBondContact O-N 2.83Å; E221-F224 WeakPolarHBondContact O-CB 3.5Å; E221-F224 PolarHBondContact O-N 3.16Å; E221-F224 VanDerWaalsContact O-N 3.09Å; E221-W225 PolarHBondContact O-N 3.17Å; E221-W252 HydrophobicContact CG-CH2 4.21Å; E221-W252 HydrophobicContact CG-CZ2 4.1Å; E221-R256 WeakPolarHBondContact OE1-CD 3.42Å; E221-R256 IonicContact OE1-CZ 2.98Å; E221-R256 IonicContact OE1-NE 3.95Å; E221-R256 PolarHBondContact OE1-NE 3.38Å; E221-R256 IonicContact OE1-NH2 3.79Å; E221-R256 IonicContact OE2-CZ 2.82Å; E221-R256 IonicContact OE2-NE 2.69Å; E221-R256 PolarHBondContact OE2-NE 2.97Å; E221-R256 IonicContact OE2-NH2 3.15Å; E221-R256 PolarHBondContact OE2-NH2 3.04Å
222K98.2Very high98.1Very high115 Ų11578.7 Ų78.750%0.537%0.367SS..Hα-helixtrans-55.7-48.9174.1174.8-174.9173.2-166.50111.9I218 E219 F224 W225 Y226I218-K222 WeakPolarHBondContact O-CB 3.38Å; I218-K222 PolarHBondContact O-N 3.47Å; E219-K222 PolarHBondContact O-N 3.13Å; E219-K222 WeakPolarHBondContact OE1-CD 3.31Å; E219-K222 IonicContact OE1-NZ 2.83Å; E219-K222 PolarHBondContact OE1-NZ 3.23Å; E219-K222 WeakPolarHBondContact OE2-CD 3.26Å; E219-K222 IonicContact OE2-NZ 2.77Å; E219-K222 PolarHBondContact OE2-NZ 3.38Å; K222-F224 VanDerWaalsContact C-N 3.31Å; K222-F224 PolarHBondContact O-N 2.76Å; K222-W225 PolarHBondContact O-N 3.15Å; K222-Y226 PolarHBondContact O-N 2.95Å
223E98.4Very high98.1Very high17 Ų1779.8 Ų79.88%0.07938%0.382CS..Hα-helixtrans-64.7-32.9174.6-72.3-64.6121.300112.9E219 E221 Y226 S227 R234 I238 F253E219-E223 WeakPolarHBondContact O-CB 3.41Å; E219-E223 VanDerWaalsContact O-CG 3.31Å; E219-E223 WeakPolarHBondContact O-CG 3.38Å; E219-E223 PolarHBondContact O-N 3.11Å; E221-E223 PolarHBondContact O-N 2.83Å; E223-Y226 PolarHBondContact O-N 3.1Å; E223-S227 PolarHBondContact O-N 3.25Å; E223-S227 VanDerWaalsContact O-O 3.09Å; E223-R234 VanDerWaalsContact CD-NH2 3.26Å; E223-R234 IonicContact OE1-CZ 2.73Å; E223-R234 IonicContact OE1-NE 3.63Å; E223-R234 IonicContact OE1-NH2 3.2Å; E223-R234 PolarHBondContact OE1-NH2 3.09Å; E223-R234 IonicContact OE2-CZ 2.79Å; E223-R234 IonicContact OE2-NE 3.76Å; E223-R234 PolarHBondContact OE2-NE 2.72Å; E223-R234 IonicContact OE2-NH2 3.82Å; E223-R234 PolarHBondContact OE2-NH2 3.37Å; E223-I238 HydrophobicContact CB-CD1 4.08Å; E223-I238 HydrophobicContact CG-CD1 3.77Å; E223-I238 HydrophobicContact CG-CG1 4.03Å; E223-I238 WeakPolarHBondContact OE2-CD1 3.39Å; E223-F253 HydrophobicContact CB-CZ 3.89Å
224F98.5Very high98.1Very high0 Ų080 Ų800%038%0.375CS..Hα-helixtrans-68.4-35.7175.5-174.7-97.9000113.3L220 E221 K222 S227 Q228 W252 F253 R256 R257 F260L220-F224 WeakPolarHBondContact O-CB 3.38Å; L220-F224 PolarHBondContact O-N 2.62Å; E221-F224 WeakPolarHBondContact O-CB 3.5Å; E221-F224 PolarHBondContact O-N 3.16Å; E221-F224 VanDerWaalsContact O-N 3.09Å; K222-F224 VanDerWaalsContact C-N 3.31Å; K222-F224 PolarHBondContact O-N 2.76Å; F224-S227 CarbonylContact O-C 3.43Å; F224-S227 VanDerWaalsContact O-C 3.26Å; F224-Q228 HydrophobicContact CD2-CB 4.38Å; F224-Q228 HydrophobicContact CE1-CG 3.99Å; F224-Q228 HydrophobicContact CE2-CB 3.76Å; F224-Q228 HydrophobicContact CE2-CG 4Å; F224-Q228 HydrophobicContact CZ-CB 3.9Å; F224-Q228 HydrophobicContact CZ-CG 3.69Å; F224-Q228 PolarHBondContact O-N 2.93Å; F224-W252 HydrophobicContact CB-CH2 4.09Å; F224-W252 HydrophobicContact CB-CZ3 3.97Å; F224-W252 HydrophobicContact CD2-CZ3 4.39Å; F224-W252 HydrophobicContact CG-CZ3 4.42Å; F224-F253 HydrophobicContact CB-CE1 4.15Å; F224-F253 HydrophobicContact CB-CZ 4.36Å; F224-F253 AromaticContact CD2-CD1 3.92Å; F224-F253 HydrophobicContact CD2-CD1 3.92Å; F224-F253 AromaticContact CD2-CE1 3.92Å; F224-F253 HydrophobicContact CD2-CE1 3.92Å; F224-R256 HydrophobicContact CB-CG 4.26Å; F224-R256 HydrophobicContact CD1-CG 3.67Å; F224-R256 HydrophobicContact CD2-CB 4.03Å; F224-R256 HydrophobicContact CD2-CG 3.47Å; F224-R256 VanDerWaalsContact CD2-CG 3.47Å; F224-R256 HydrophobicContact CE1-CG 3.84Å; F224-R256 HydrophobicContact CE2-CB 4.09Å; F224-R256 HydrophobicContact CE2-CG 3.65Å; F224-R256 HydrophobicContact CG-CB 4.49Å; F224-R256 HydrophobicContact CG-CG 3.49Å; F224-R256 VanDerWaalsContact CG-CG 3.49Å; F224-R256 HydrophobicContact CZ-CG 3.84Å; F224-R257 HydrophobicContact CE2-CG 3.67Å; F224-R257 HydrophobicContact CZ-CG 4.09Å; F224-F260 HydrophobicContact CE1-CB 4.14Å; F224-F260 HydrophobicContact CE1-CD2 4.19Å; F224-F260 HydrophobicContact CE1-CG 4.11Å; F224-F260 HydrophobicContact CZ-CB 3.97Å; F224-F260 HydrophobicContact CZ-CG 4.17Å
225W97.3Very high98.1Very high169 Ų16976.3 Ų76.364%0.6436%0.355SS*.Hα-helixtrans-72.7-34.3173.7-69.6116.9000112.2E221 K222 F260E221-W225 PolarHBondContact O-N 3.17Å; K222-W225 PolarHBondContact O-N 3.15Å; W225-F260 HydrophobicContact CH2-CE2 4.29Å; W225-F260 HydrophobicContact CZ3-CE2 4.23Å
226Y97.6Very high98.1Very high189 Ų18975.6 Ų75.674%0.74135%0.347SS*.Hα-helixtrans-66.4-46.7171.3179.9-104.5000112.3K222 E223K222-Y226 PolarHBondContact O-N 2.95Å; E223-Y226 PolarHBondContact O-N 3.1Å
227S97.4Very high98.1Very high43 Ų4378.7 Ų78.730%0.30136%0.361SS..  trans-152127.9168.5177.60000112.4E223 F224 Y229 F253E223-S227 PolarHBondContact O-N 3.25Å; E223-S227 VanDerWaalsContact O-O 3.09Å; F224-S227 CarbonylContact O-C 3.43Å; F224-S227 VanDerWaalsContact O-C 3.26Å; S227-Y229 PolarHBondContact O-N 3.47Å; S227-Y229 VanDerWaalsContact O-N 3.07Å; S227-Y229 PolarHBondContact OG-N 3.36Å; S227-Y229 PolarHBondContact OG-O 3.48Å; S227-F253 WeakPolarHBondContact O-CE1 3.42Å
228Q97.6Very high98.1Very high60 Ų6076.4 Ų76.428%0.2835%0.349SS..SBendtrans-69-7.9177.3-55.8-171.43.200113.4F224 R257F224-Q228 HydrophobicContact CD2-CB 4.38Å; F224-Q228 HydrophobicContact CE1-CG 3.99Å; F224-Q228 HydrophobicContact CE2-CB 3.76Å; F224-Q228 HydrophobicContact CE2-CG 4Å; F224-Q228 HydrophobicContact CZ-CB 3.9Å; F224-Q228 HydrophobicContact CZ-CG 3.69Å; F224-Q228 PolarHBondContact O-N 2.93Å; Q228-R257 WeakPolarHBondContact O-CD 3.43Å; Q228-R257 PolarHBondContact O-NH1 2.94Å
229Y98.4Very high98.1Very high161 Ų16172.5 Ų72.563%0.63133%0.331SS*.SBendtrans-137128.5-177.3-66.2-101.2000111.4S227S227-Y229 PolarHBondContact O-N 3.47Å; S227-Y229 VanDerWaalsContact O-N 3.07Å; S227-Y229 PolarHBondContact OG-N 3.36Å; S227-Y229 PolarHBondContact OG-O 3.48Å
230L97.6Very high98.1Very high28 Ų2873.2 Ų73.215%0.14734%0.343CS..  trans-102.6120.8-177.8-65.1179.4000113.4R234 R235 I238 I249 F253L230-R234 HydrophobicContact CD2-CB 4.48Å; L230-R234 HydrophobicContact CD2-CG 3.97Å; L230-R235 HydrophobicContact CB-CB 4.43Å; L230-R235 HydrophobicContact CD1-CG 4.49Å; L230-R235 PolarHBondContact O-NH2 3.36Å; L230-I238 HydrophobicContact CD1-CD1 3.61Å; L230-I238 HydrophobicContact CD2-CD1 3.7Å; L230-I238 HydrophobicContact CG-CD1 4.32Å; L230-I249 HydrophobicContact CD1-CG2 3.47Å; L230-I249 VanDerWaalsContact CD1-CG2 3.47Å; L230-F253 HydrophobicContact CD1-CD1 4.14Å; L230-F253 HydrophobicContact CD1-CD2 3.59Å; L230-F253 HydrophobicContact CD1-CE1 3.97Å; L230-F253 HydrophobicContact CD1-CE2 3.43Å; L230-F253 VanDerWaalsContact CD1-CE2 3.43Å; L230-F253 HydrophobicContact CD1-CG 3.97Å; L230-F253 HydrophobicContact CD1-CZ 3.64Å; L230-F253 HydrophobicContact CD2-CE1 4.04Å; L230-F253 HydrophobicContact CD2-CZ 4.03Å; L230-F253 HydrophobicContact CG-CD1 3.9Å; L230-F253 HydrophobicContact CG-CD2 4.27Å; L230-F253 HydrophobicContact CG-CE1 3.69Å; L230-F253 HydrophobicContact CG-CE2 4.12Å; L230-F253 HydrophobicContact CG-CG 4.19Å; L230-F253 HydrophobicContact CG-CZ 3.83Å
231C97.8Very high98.1Very high78 Ų7878 Ų7853%0.52737%0.372SS..  trans-61.1167.3166.1640000112.1R235C231-R235 WeakPolarHBondContact O-CB 3.47Å; C231-R235 PolarHBondContact O-N 3.12Å
232R97.9Very high98.1Very high130 Ų13076.5 Ų76.549%0.49137%0.365SS..Hα-helixtrans-59.3-44.8-177.9-177.976-173.191.5-17.2113.2E246R232-E246 IonicContact CZ-OE1 3.21Å; R232-E246 IonicContact CZ-OE2 3.38Å; R232-E246 IonicContact NH1-OE1 2.77Å; R232-E246 PolarHBondContact NH1-OE1 2.75Å; R232-E246 IonicContact NH1-OE2 2.78Å; R232-E246 PolarHBondContact NH1-OE2 2.94Å; R232-E246 IonicContact NH2-OE1 2.78Å; R232-E246 PolarHBondContact NH2-OE1 3.05Å; R232-E246 IonicContact NH2-OE2 3.6Å
233P98.1Very high98.1Very high87 Ų8780 Ų8057%0.56538%0.381SS*.Hα-helixtrans-69.3-52.1-178.1-22.235.5000113.7R235 I236 E237P233-R235 PolarHBondContact O-N 3Å; P233-R235 VanDerWaalsContact O-N 3.12Å; P233-I236 WeakPolarHBondContact O-CA 3.31Å; P233-I236 WeakPolarHBondContact O-CB 3.38Å; P233-I236 PolarHBondContact O-N 2.99Å; P233-E237 PolarHBondContact O-N 2.71Å
234R98.3Very high98Very high75 Ų7580 Ų8028%0.28338%0.381SS..Hα-helixtrans-58.7-30.9-178.2-171.356.9171.9-169.92.3112.4E223 L230 I236 E237 I238E223-R234 VanDerWaalsContact CD-NH2 3.26Å; E223-R234 IonicContact OE1-CZ 2.73Å; E223-R234 IonicContact OE1-NE 3.63Å; E223-R234 IonicContact OE1-NH2 3.2Å; E223-R234 PolarHBondContact OE1-NH2 3.09Å; E223-R234 IonicContact OE2-CZ 2.79Å; E223-R234 IonicContact OE2-NE 3.76Å; E223-R234 PolarHBondContact OE2-NE 2.72Å; E223-R234 IonicContact OE2-NH2 3.82Å; E223-R234 PolarHBondContact OE2-NH2 3.37Å; L230-R234 HydrophobicContact CD2-CB 4.48Å; L230-R234 HydrophobicContact CD2-CG 3.97Å; R234-I236 PolarHBondContact O-N 3.05Å; R234-E237 WeakPolarHBondContact CD-OE2 3.4Å; R234-E237 IonicContact CZ-OE1 3.39Å; R234-E237 IonicContact CZ-OE2 2.8Å; R234-E237 IonicContact NE-OE2 3.89Å; R234-E237 IonicContact NH1-OE1 3.66Å; R234-E237 PolarHBondContact NH1-OE1 2.88Å; R234-E237 IonicContact NH1-OE2 2.75Å; R234-E237 PolarHBondContact NH1-OE2 3.22Å; R234-E237 PolarHBondContact O-N 3.02Å; R234-I238 HydrophobicContact CG-CD1 3.88Å; R234-I238 HydrophobicContact CG-CG1 4.35Å; R234-I238 WeakPolarHBondContact O-CD1 3.46Å; R234-I238 VanDerWaalsContact O-CG1 3.26Å; R234-I238 WeakPolarHBondContact O-CG1 3.37Å; R234-I238 PolarHBondContact O-N 3.22Å
235R98.5Very high98Very high56 Ų5683.8 Ų83.821%0.21140%0.404CS..Hα-helixtrans-64.5-34.2173.5-161.1-170.1-47.41394.9113.7L230 C231 P233 A239 E246 I249L230-R235 HydrophobicContact CB-CB 4.43Å; L230-R235 HydrophobicContact CD1-CG 4.49Å; L230-R235 PolarHBondContact O-NH2 3.36Å; C231-R235 WeakPolarHBondContact O-CB 3.47Å; C231-R235 PolarHBondContact O-N 3.12Å; P233-R235 PolarHBondContact O-N 3Å; P233-R235 VanDerWaalsContact O-N 3.12Å; R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 2.88Å; R235-E246 WeakPolarHBondContact CD-OE2 3.26Å; R235-E246 IonicContact NH1-OE2 3.71Å; R235-I249 HydrophobicContact CG-CB 4.18Å; R235-I249 HydrophobicContact CG-CG2 3.89Å
236I98.5Very high98.1Very high86 Ų8678.4 Ų78.444%0.44139%0.386SS..Hα-helixtrans-68.2-47.9174.3-58.1167.3000109.2P233 R234 A239 S240P233-I236 WeakPolarHBondContact O-CA 3.31Å; P233-I236 WeakPolarHBondContact O-CB 3.38Å; P233-I236 PolarHBondContact O-N 2.99Å; R234-I236 PolarHBondContact O-N 3.05Å; I236-A239 WeakPolarHBondContact O-CB 3.3Å; I236-A239 PolarHBondContact O-N 3.04Å; I236-A239 VanDerWaalsContact O-N 3.15Å; I236-S240 PolarHBondContact O-N 3.18Å; I236-S240 PolarHBondContact O-OG 3.03Å
237E98.5Very high98.1Very high95 Ų9577.1 Ų77.144%0.44439%0.385SS..Hα-helixtrans-61.6-45.5-176.5-168.3-170.2170.700112.7P233 R234 S240 T241P233-E237 PolarHBondContact O-N 2.71Å; R234-E237 WeakPolarHBondContact CD-OE2 3.4Å; R234-E237 IonicContact CZ-OE1 3.39Å; R234-E237 IonicContact CZ-OE2 2.8Å; R234-E237 IonicContact NE-OE2 3.89Å; R234-E237 IonicContact NH1-OE1 3.66Å; R234-E237 PolarHBondContact NH1-OE1 2.88Å; R234-E237 IonicContact NH1-OE2 2.75Å; R234-E237 PolarHBondContact NH1-OE2 3.22Å; R234-E237 PolarHBondContact O-N 3.02Å; E237-S240 PolarHBondContact O-OG 3.42Å; E237-T241 VanDerWaalsContact O-CB 3.26Å; E237-T241 WeakPolarHBondContact O-CB 3.26Å; E237-T241 PolarHBondContact O-N 3.19Å; E237-T241 PolarHBondContact O-OG1 2.85Å
238I98.3Very high98.1Very high9 Ų977.5 Ų77.55%0.04638%0.381CS..Hα-helixtrans-66.2-40173.5-59.8162.3000110.5L220 E223 L230 R234 L242 I249L220-I238 HydrophobicContact CD2-CG2 4.25Å; E223-I238 HydrophobicContact CB-CD1 4.08Å; E223-I238 HydrophobicContact CG-CD1 3.77Å; E223-I238 HydrophobicContact CG-CG1 4.03Å; E223-I238 WeakPolarHBondContact OE2-CD1 3.39Å; L230-I238 HydrophobicContact CD1-CD1 3.61Å; L230-I238 HydrophobicContact CD2-CD1 3.7Å; L230-I238 HydrophobicContact CG-CD1 4.32Å; R234-I238 HydrophobicContact CG-CD1 3.88Å; R234-I238 HydrophobicContact CG-CG1 4.35Å; R234-I238 WeakPolarHBondContact O-CD1 3.46Å; R234-I238 VanDerWaalsContact O-CG1 3.26Å; R234-I238 WeakPolarHBondContact O-CG1 3.37Å; R234-I238 PolarHBondContact O-N 3.22Å; I238-L242 HydrophobicContact CG2-CD1 3.6Å; I238-L242 HydrophobicContact CG2-CG 4.02Å; I238-L242 VanDerWaalsContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 WeakPolarHBondContact O-CG 3.4Å; I238-L242 PolarHBondContact O-N 3.28Å; I238-I249 HydrophobicContact CG2-CD1 3.82Å; I238-I249 HydrophobicContact CG2-CG1 4.49Å; I238-I249 HydrophobicContact CG2-CG2 4.5Å
239A98.6Very high98.2Very high8 Ų874.6 Ų74.67%0.06637%0.368CS..Hα-helixtrans-61.7-47179.300000112.2R235 I236 K243 L244 E246 I249R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 2.88Å; I236-A239 WeakPolarHBondContact O-CB 3.3Å; I236-A239 PolarHBondContact O-N 3.04Å; I236-A239 VanDerWaalsContact O-N 3.15Å; A239-K243 WeakPolarHBondContact O-CA 3.48Å; A239-K243 PolarHBondContact O-N 3.27Å; A239-K243 VanDerWaalsContact O-N 3.1Å; A239-L244 CarbonylContact C-O 3.58Å; A239-L244 WeakPolarHBondContact CA-O 3.22Å; A239-L244 VanDerWaalsContact CB-O 3.26Å; A239-L244 WeakPolarHBondContact CB-O 3.1Å; A239-L244 PolarHBondContact O-N 3.28Å; A239-E246 HydrophobicContact CB-CG 4.08Å; A239-I249 HydrophobicContact CB-CG1 3.98Å
240S98.2Very high98.1Very high81 Ų8173.4 Ų73.457%0.56637%0.366SS*.Hα-helixtrans-65.8-47176.756.60000111.8I236 E237 L242 K243I236-S240 PolarHBondContact O-N 3.18Å; I236-S240 PolarHBondContact O-OG 3.03Å; E237-S240 PolarHBondContact O-OG 3.42Å; S240-L242 PolarHBondContact O-N 3.35Å; S240-K243 PolarHBondContact O-N 3.22Å
241T98.1Very high98.2Very high99 Ų9974.9 Ų74.961%0.60738%0.376SS*.Hα-helixtrans-61.7-46.2-178-56.90000111.9E237 K243E237-T241 VanDerWaalsContact O-CB 3.26Å; E237-T241 WeakPolarHBondContact O-CB 3.26Å; E237-T241 PolarHBondContact O-N 3.19Å; E237-T241 PolarHBondContact O-OG1 2.85Å; T241-K243 VanDerWaalsContact C-N 3.31Å; T241-K243 PolarHBondContact O-N 2.88Å
242L98Very high98.2Very high20 Ų2072.2 Ų72.211%0.10536%0.355CS..Hα-helixtrans-85-1.8-178.8-58.3-171000113.8Q216 E219 L220 I238 S240 L244Q216-L242 HydrophobicContact CG-CB 4.3Å; Q216-L242 PolarHBondContact NE2-O 3.12Å; E219-L242 HydrophobicContact CB-CD1 4.19Å; E219-L242 HydrophobicContact CB-CD2 3.72Å; E219-L242 HydrophobicContact CG-CD2 4.1Å; L220-L242 HydrophobicContact CD1-CD1 4.42Å; L220-L242 HydrophobicContact CD2-CD1 3.93Å; L220-L242 HydrophobicContact CG-CD1 3.7Å; I238-L242 HydrophobicContact CG2-CD1 3.6Å; I238-L242 HydrophobicContact CG2-CG 4.02Å; I238-L242 VanDerWaalsContact O-CB 3.31Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 WeakPolarHBondContact O-CG 3.4Å; I238-L242 PolarHBondContact O-N 3.28Å; S240-L242 PolarHBondContact O-N 3.35Å; L242-L244 VanDerWaalsContact C-N 3.28Å; L242-L244 HydrophobicContact CB-CD1 4.21Å; L242-L244 HydrophobicContact CB-CG 4.17Å; L242-L244 PolarHBondContact O-N 2.78Å
243K98.1Very high98.2Very high189 Ų18966.2 Ų66.282%0.82233%0.333SS*.THydrogen-bonded Turntrans55.242.4-175.3-55.9178.7-176.8176.60112.4A239 S240 T241A239-K243 WeakPolarHBondContact O-CA 3.48Å; A239-K243 PolarHBondContact O-N 3.27Å; A239-K243 VanDerWaalsContact O-N 3.1Å; S240-K243 PolarHBondContact O-N 3.22Å; T241-K243 VanDerWaalsContact C-N 3.31Å; T241-K243 PolarHBondContact O-N 2.88Å
244L97.7Very high98.2Very high18 Ų1867 Ų679%0.09433%0.329CS..  trans-117.7153.3178.5-66.2-178.4000110.4Y212 Q216 L220 A239 L242 Q248 I249Y212-L244 HydrophobicContact CD1-CD1 3.83Å; Y212-L244 HydrophobicContact CD1-CD2 3.82Å; Y212-L244 HydrophobicContact CE1-CD1 3.77Å; Y212-L244 HydrophobicContact CE1-CD2 3.77Å; Y212-L244 HydrophobicContact CE1-CG 4.42Å; Q216-L244 HydrophobicContact CG-CD1 4.47Å; L220-L244 HydrophobicContact CD1-CD1 4.23Å; A239-L244 CarbonylContact C-O 3.58Å; A239-L244 WeakPolarHBondContact CA-O 3.22Å; A239-L244 VanDerWaalsContact CB-O 3.26Å; A239-L244 WeakPolarHBondContact CB-O 3.1Å; A239-L244 PolarHBondContact O-N 3.28Å; L242-L244 VanDerWaalsContact C-N 3.28Å; L242-L244 HydrophobicContact CB-CD1 4.21Å; L242-L244 HydrophobicContact CB-CG 4.17Å; L242-L244 PolarHBondContact O-N 2.78Å; L244-Q248 HydrophobicContact CB-CB 4.38Å; L244-I249 HydrophobicContact CB-CD1 3.91Å; L244-I249 HydrophobicContact CB-CG1 4.47Å; L244-I249 HydrophobicContact CD1-CD1 3.9Å
245T98.1Very high98.2Very high79 Ų7968.2 Ų68.249%0.48534%0.341SS..  trans-71.7148.1171.562.10000110.9K247 Q248 I249T245-K247 PolarHBondContact O-N 2.78Å; T245-Q248 WeakPolarHBondContact O-CA 3.39Å; T245-Q248 WeakPolarHBondContact O-CB 3.43Å; T245-Q248 PolarHBondContact O-N 2.77Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.4Å; T245-Q248 PolarHBondContact OG1-N 3.41Å; T245-Q248 PolarHBondContact OG1-OE1 3.37Å; T245-I249 PolarHBondContact O-N 2.9Å; T245-I249 VanDerWaalsContact O-N 3.11Å
246E98.4Very high98.2Very high55 Ų5566.2 Ų66.226%0.25733%0.333SS..Hα-helixtrans-51.1-32.2171.8-74.7-158.9-125.600113.5R232 R235 A239 I249 K250R232-E246 IonicContact CZ-OE1 3.21Å; R232-E246 IonicContact CZ-OE2 3.38Å; R232-E246 IonicContact NH1-OE1 2.77Å; R232-E246 PolarHBondContact NH1-OE1 2.75Å; R232-E246 IonicContact NH1-OE2 2.78Å; R232-E246 PolarHBondContact NH1-OE2 2.94Å; R232-E246 IonicContact NH2-OE1 2.78Å; R232-E246 PolarHBondContact NH2-OE1 3.05Å; R232-E246 IonicContact NH2-OE2 3.6Å; R235-E246 WeakPolarHBondContact CD-OE2 3.26Å; R235-E246 IonicContact NH1-OE2 3.71Å; A239-E246 HydrophobicContact CB-CG 4.08Å; E246-I249 PolarHBondContact O-N 3.11Å; E246-K250 WeakPolarHBondContact O-CB 3.13Å; E246-K250 PolarHBondContact O-N 3.01Å
247K97.8Very high98.2Very high163 Ų16365.2 Ų65.271%0.70932%0.324SS*.Hα-helixtrans-66.4-39.7176.2-174168.4-177.5166.70111.8T245 V251T245-K247 PolarHBondContact O-N 2.78Å; K247-V251 WeakPolarHBondContact O-CB 3.26Å; K247-V251 VanDerWaalsContact O-CG2 3.26Å; K247-V251 WeakPolarHBondContact O-CG2 3.4Å; K247-V251 PolarHBondContact O-N 3.14Å
248Q98Very high98.1Very high50 Ų5065 Ų6523%0.23432%0.324CS..Hα-helixtrans-64.8-43.6172.7-75.4161.8-73.500111.1Y212 L244 T245 V251 W252Y212-Q248 HydrophobicContact CE1-CB 4.29Å; Y212-Q248 HydrophobicContact CE1-CG 4.45Å; Y212-Q248 WeakPolarHBondContact OH-CB 3.36Å; L244-Q248 HydrophobicContact CB-CB 4.38Å; T245-Q248 WeakPolarHBondContact O-CA 3.39Å; T245-Q248 WeakPolarHBondContact O-CB 3.43Å; T245-Q248 PolarHBondContact O-N 2.77Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.4Å; T245-Q248 PolarHBondContact OG1-N 3.41Å; T245-Q248 PolarHBondContact OG1-OE1 3.37Å; Q248-V251 PolarHBondContact O-N 2.91Å; Q248-W252 VanDerWaalsContact O-CB 3.31Å; Q248-W252 WeakPolarHBondContact O-CB 3.35Å; Q248-W252 PolarHBondContact O-N 3.34Å
249I98.5Very high98.1Very high0 Ų069.9 Ų69.90%035%0.345CS..Hα-helixtrans-59.4-51.4174.7-54.2-56.8000110.9L220 L230 R235 I238 A239 L244 T245 E246 V251 W252 F253L220-I249 HydrophobicContact CD2-CD1 3.86Å; L230-I249 HydrophobicContact CD1-CG2 3.47Å; L230-I249 VanDerWaalsContact CD1-CG2 3.47Å; R235-I249 HydrophobicContact CG-CB 4.18Å; R235-I249 HydrophobicContact CG-CG2 3.89Å; I238-I249 HydrophobicContact CG2-CD1 3.82Å; I238-I249 HydrophobicContact CG2-CG1 4.49Å; I238-I249 HydrophobicContact CG2-CG2 4.5Å; A239-I249 HydrophobicContact CB-CG1 3.98Å; L244-I249 HydrophobicContact CB-CD1 3.91Å; L244-I249 HydrophobicContact CB-CG1 4.47Å; L244-I249 HydrophobicContact CD1-CD1 3.9Å; T245-I249 PolarHBondContact O-N 2.9Å; T245-I249 VanDerWaalsContact O-N 3.11Å; E246-I249 PolarHBondContact O-N 3.11Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-V251 PolarHBondContact O-N 3.42Å; I249-W252 PolarHBondContact O-N 2.88Å; I249-F253 HydrophobicContact CG2-CD2 3.99Å; I249-F253 HydrophobicContact CG2-CE2 4.21Å; I249-F253 WeakPolarHBondContact O-CD2 3.5Å; I249-F253 PolarHBondContact O-N 3.32Å
250K98.1Very high97.9Very high135 Ų13572.2 Ų72.259%0.58735%0.354SS*.Hα-helixtrans-56.2-45.8178.5-176.3177.2178.4178.80112E246 Q254E246-K250 WeakPolarHBondContact O-CB 3.13Å; E246-K250 PolarHBondContact O-N 3.01Å; K250-Q254 WeakPolarHBondContact O-CB 3.31Å; K250-Q254 PolarHBondContact O-N 3.34Å
251V98Very high97.8Very high59 Ų5973.8 Ų73.836%0.35835%0.35SS..Hα-helixtrans-70.7-39.2179.61700000112K247 Q248 I249 Q254 N255K247-V251 WeakPolarHBondContact O-CB 3.26Å; K247-V251 VanDerWaalsContact O-CG2 3.26Å; K247-V251 WeakPolarHBondContact O-CG2 3.4Å; K247-V251 PolarHBondContact O-N 3.14Å; Q248-V251 PolarHBondContact O-N 2.91Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-V251 PolarHBondContact O-N 3.42Å; V251-Q254 PolarHBondContact O-N 3.19Å; V251-N255 WeakPolarHBondContact O-CB 3.19Å; V251-N255 VanDerWaalsContact O-CG 3.24Å; V251-N255 PolarHBondContact O-N 2.83Å; V251-N255 PolarHBondContact O-ND2 2.99Å
252W98.5Very high97.4Very high23 Ų2378.9 Ų78.99%0.08736%0.358CS..Hα-helixtrans-62.8-47.5176-173.4101.8000110.7Y212 L220 E221 F224 Q248 I249 Q254 N255 R256Y212-W252 AromaticContact CE2-CD1 3.75Å; L220-W252 VanDerWaalsContact C-CH2 3.41Å; L220-W252 HydrophobicContact CB-CD2 3.93Å; L220-W252 HydrophobicContact CB-CE3 3.97Å; L220-W252 HydrophobicContact CB-CH2 3.73Å; L220-W252 HydrophobicContact CB-CZ2 3.65Å; L220-W252 HydrophobicContact CB-CZ3 3.87Å; L220-W252 HydrophobicContact CD1-CD2 3.97Å; L220-W252 HydrophobicContact CD1-CG 3.9Å; L220-W252 HydrophobicContact CD2-CD2 4.2Å; L220-W252 HydrophobicContact CD2-CE3 4.07Å; L220-W252 HydrophobicContact CG-CD2 4.26Å; L220-W252 HydrophobicContact CG-CE3 4.44Å; L220-W252 VanDerWaalsContact O-CH2 3.23Å; L220-W252 WeakPolarHBondContact O-CH2 3.27Å; L220-W252 VanDerWaalsContact O-CZ3 3.27Å; L220-W252 WeakPolarHBondContact O-CZ3 3.23Å; E221-W252 HydrophobicContact CG-CH2 4.21Å; E221-W252 HydrophobicContact CG-CZ2 4.1Å; F224-W252 HydrophobicContact CB-CH2 4.09Å; F224-W252 HydrophobicContact CB-CZ3 3.97Å; F224-W252 HydrophobicContact CD2-CZ3 4.39Å; F224-W252 HydrophobicContact CG-CZ3 4.42Å; Q248-W252 VanDerWaalsContact O-CB 3.31Å; Q248-W252 WeakPolarHBondContact O-CB 3.35Å; Q248-W252 PolarHBondContact O-N 3.34Å; I249-W252 PolarHBondContact O-N 2.88Å; W252-Q254 VanDerWaalsContact C-N 3.33Å; W252-Q254 PolarHBondContact O-N 2.64Å; W252-N255 PolarHBondContact O-N 2.99Å; W252-R256 HydrophobicContact CD2-CB 4.41Å; W252-R256 HydrophobicContact CE3-CB 3.96Å; W252-R256 HydrophobicContact CH2-CB 3.82Å; W252-R256 HydrophobicContact CH2-CG 3.54Å; W252-R256 HydrophobicContact CZ2-CB 4.29Å; W252-R256 HydrophobicContact CZ2-CG 4.22Å; W252-R256 HydrophobicContact CZ3-CB 3.64Å; W252-R256 HydrophobicContact CZ3-CG 3.74Å; W252-R256 WeakPolarHBondContact O-CB 3.46Å; W252-R256 PolarHBondContact O-N 2.98Å
253F98.7Very high96.9Very high4 Ų482.9 Ų82.92%0.01838%0.377CS..Hα-helixtrans-62.6-37.3177.2-91.3-100000112.8L220 E223 F224 S227 L230 I249 R256 R257L220-F253 HydrophobicContact CD2-CE2 3.94Å; E223-F253 HydrophobicContact CB-CZ 3.89Å; F224-F253 HydrophobicContact CB-CE1 4.15Å; F224-F253 HydrophobicContact CB-CZ 4.36Å; F224-F253 AromaticContact CD2-CD1 3.92Å; F224-F253 HydrophobicContact CD2-CD1 3.92Å; F224-F253 AromaticContact CD2-CE1 3.92Å; F224-F253 HydrophobicContact CD2-CE1 3.92Å; S227-F253 WeakPolarHBondContact O-CE1 3.42Å; L230-F253 HydrophobicContact CD1-CD1 4.14Å; L230-F253 HydrophobicContact CD1-CD2 3.59Å; L230-F253 HydrophobicContact CD1-CE1 3.97Å; L230-F253 HydrophobicContact CD1-CE2 3.43Å; L230-F253 VanDerWaalsContact CD1-CE2 3.43Å; L230-F253 HydrophobicContact CD1-CG 3.97Å; L230-F253 HydrophobicContact CD1-CZ 3.64Å; L230-F253 HydrophobicContact CD2-CE1 4.04Å; L230-F253 HydrophobicContact CD2-CZ 4.03Å; L230-F253 HydrophobicContact CG-CD1 3.9Å; L230-F253 HydrophobicContact CG-CD2 4.27Å; L230-F253 HydrophobicContact CG-CE1 3.69Å; L230-F253 HydrophobicContact CG-CE2 4.12Å; L230-F253 HydrophobicContact CG-CG 4.19Å; L230-F253 HydrophobicContact CG-CZ 3.83Å; I249-F253 HydrophobicContact CG2-CD2 3.99Å; I249-F253 HydrophobicContact CG2-CE2 4.21Å; I249-F253 WeakPolarHBondContact O-CD2 3.5Å; I249-F253 PolarHBondContact O-N 3.32Å; F253-R256 PolarHBondContact O-N 3.4Å; F253-R257 PolarHBondContact O-N 3.35Å
254Q98.2Very high95.8Very high104 Ų10478.6 Ų78.649%0.48636%0.358SS..Hα-helixtrans-62.7-48.9173-176.5174.42.900111.5K250 V251 W252 R256 R257 M258K250-Q254 WeakPolarHBondContact O-CB 3.31Å; K250-Q254 PolarHBondContact O-N 3.34Å; V251-Q254 PolarHBondContact O-N 3.19Å; W252-Q254 VanDerWaalsContact C-N 3.33Å; W252-Q254 PolarHBondContact O-N 2.64Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 3.12Å; Q254-R257 PolarHBondContact O-N 3.3Å; Q254-M258 WeakPolarHBondContact O-CG 3.49Å; Q254-M258 PolarHBondContact O-N 3.34Å; Q254-M258 VanDerWaalsContact O-N 3.08Å
255N98.3Very high94.3Very high100 Ų10083.9 Ų83.954%0.53539%0.393SS..Hα-helixtrans-63-38.1176.8-69.7-19000112V251 W252 M258 K259V251-N255 WeakPolarHBondContact O-CB 3.19Å; V251-N255 VanDerWaalsContact O-CG 3.24Å; V251-N255 PolarHBondContact O-N 2.83Å; V251-N255 PolarHBondContact O-ND2 2.99Å; W252-N255 PolarHBondContact O-N 2.99Å; N255-M258 PolarHBondContact O-N 2.95Å; N255-K259 PolarHBondContact O-N 3.42Å
256R98.3Very high92.6Very high14 Ų1483.8 Ų83.85%0.05341%0.408CS..Hα-helixtrans-68.4-39.9179.2-175.458.8174.686.84.8112.5E221 F224 W252 F253 Q254 M258 K259 F260E221-R256 WeakPolarHBondContact OE1-CD 3.42Å; E221-R256 IonicContact OE1-CZ 2.98Å; E221-R256 IonicContact OE1-NE 3.95Å; E221-R256 PolarHBondContact OE1-NE 3.38Å; E221-R256 IonicContact OE1-NH2 3.79Å; E221-R256 IonicContact OE2-CZ 2.82Å; E221-R256 IonicContact OE2-NE 2.69Å; E221-R256 PolarHBondContact OE2-NE 2.97Å; E221-R256 IonicContact OE2-NH2 3.15Å; E221-R256 PolarHBondContact OE2-NH2 3.04Å; F224-R256 HydrophobicContact CB-CG 4.26Å; F224-R256 HydrophobicContact CD1-CG 3.67Å; F224-R256 HydrophobicContact CD2-CB 4.03Å; F224-R256 HydrophobicContact CD2-CG 3.47Å; F224-R256 VanDerWaalsContact CD2-CG 3.47Å; F224-R256 HydrophobicContact CE1-CG 3.84Å; F224-R256 HydrophobicContact CE2-CB 4.09Å; F224-R256 HydrophobicContact CE2-CG 3.65Å; F224-R256 HydrophobicContact CG-CB 4.49Å; F224-R256 HydrophobicContact CG-CG 3.49Å; F224-R256 VanDerWaalsContact CG-CG 3.49Å; F224-R256 HydrophobicContact CZ-CG 3.84Å; W252-R256 HydrophobicContact CD2-CB 4.41Å; W252-R256 HydrophobicContact CE3-CB 3.96Å; W252-R256 HydrophobicContact CH2-CB 3.82Å; W252-R256 HydrophobicContact CH2-CG 3.54Å; W252-R256 HydrophobicContact CZ2-CB 4.29Å; W252-R256 HydrophobicContact CZ2-CG 4.22Å; W252-R256 HydrophobicContact CZ3-CB 3.64Å; W252-R256 HydrophobicContact CZ3-CG 3.74Å; W252-R256 WeakPolarHBondContact O-CB 3.46Å; W252-R256 PolarHBondContact O-N 2.98Å; F253-R256 PolarHBondContact O-N 3.4Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 3.12Å; R256-M258 VanDerWaalsContact C-N 3.34Å; R256-K259 PolarHBondContact O-N 3.45Å; R256-F260 WeakPolarHBondContact O-CB 3.44Å; R256-F260 PolarHBondContact O-N 2.9Å
257R98Very high90.7Very high64 Ų6487.1 Ų87.124%0.24242%0.424CS..Hα-helixtrans-61.5-40.7169.1-75-166.1-63.1-79.3-3112.1F224 Q228 F253 Q254 F260 K261F224-R257 HydrophobicContact CE2-CG 3.67Å; F224-R257 HydrophobicContact CZ-CG 4.09Å; Q228-R257 WeakPolarHBondContact O-CD 3.43Å; Q228-R257 PolarHBondContact O-NH1 2.94Å; F253-R257 PolarHBondContact O-N 3.35Å; Q254-R257 PolarHBondContact O-N 3.3Å; R257-F260 PolarHBondContact O-N 2.85Å; R257-K261 PolarHBondContact O-N 3.01Å
258M97.3Very high88.5Confident92 Ų9284.6 Ų84.645%0.45342%0.418SS..Hα-helixtrans-66.4-35.8176.4-68.1-59.3-73.800112.7Q254 N255 R256 R262Q254-M258 WeakPolarHBondContact O-CG 3.49Å; Q254-M258 PolarHBondContact O-N 3.34Å; Q254-M258 VanDerWaalsContact O-N 3.08Å; N255-M258 PolarHBondContact O-N 2.95Å; R256-M258 VanDerWaalsContact C-N 3.34Å; M258-R262 WeakPolarHBondContact O-CG 3.15Å; M258-R262 PolarHBondContact O-N 3.45Å
259K96.7Very high86.3Confident111 Ų11189.7 Ų89.748%0.48345%0.446SS..Hα-helixtrans-65.4-48.4169.9-169.6-171.2174.5-172.80110.9N255 R256 K261 R262 Q263N255-K259 PolarHBondContact O-N 3.42Å; R256-K259 PolarHBondContact O-N 3.45Å; K259-K261 PolarHBondContact O-N 3.45Å; K259-R262 CarbonylContact O-C 3.26Å; K259-R262 PolarHBondContact O-N 2.94Å; K259-R262 VanDerWaalsContact O-N 3.09Å; K259-Q263 HydrophobicContact CG-CG 4.37Å; K259-Q263 WeakPolarHBondContact O-CG 3.42Å; K259-Q263 PolarHBondContact O-N 3.31Å
260F95.7Very high83.9Confident57 Ų5799.8 Ų99.825%0.2549%0.486CS..Hα-helixtrans-58.1-45.8179.5-173.8-111.2000112.3F224 W225 R256 R257 R262 Q263 K264F224-F260 HydrophobicContact CE1-CB 4.14Å; F224-F260 HydrophobicContact CE1-CD2 4.19Å; F224-F260 HydrophobicContact CE1-CG 4.11Å; F224-F260 HydrophobicContact CZ-CB 3.97Å; F224-F260 HydrophobicContact CZ-CG 4.17Å; W225-F260 HydrophobicContact CH2-CE2 4.29Å; W225-F260 HydrophobicContact CZ3-CE2 4.23Å; R256-F260 WeakPolarHBondContact O-CB 3.44Å; R256-F260 PolarHBondContact O-N 2.9Å; R257-F260 PolarHBondContact O-N 2.85Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 3.31Å; F260-Q263 PolarHBondContact O-N 3.17Å; F260-K264 PolarHBondContact O-N 3.36Å
261K94.5Very high81.8Confident114 Ų11498.4 Ų98.450%0.49649%0.49SS..Hα-helixtrans-60.2-35.7176-167.6174.276.4155.80112.6R257 K259R257-K261 PolarHBondContact O-N 3.01Å; K259-K261 PolarHBondContact O-N 3.45Å
262R91.6Very high79.3Confident206 Ų206101.5 Ų101.578%0.77752%0.515SS*.Hα-helixtrans-78.3-18.2175.6-70.8174.3175.2-179.8-2.1114M258 K259 F260M258-R262 WeakPolarHBondContact O-CG 3.15Å; M258-R262 PolarHBondContact O-N 3.45Å; K259-R262 CarbonylContact O-C 3.26Å; K259-R262 PolarHBondContact O-N 2.94Å; K259-R262 VanDerWaalsContact O-N 3.09Å; F260-R262 VanDerWaalsContact C-N 3.27Å; F260-R262 PolarHBondContact O-N 3.31Å
263Q87.3Confident76.7Confident104 Ų104106.3 Ų106.349%0.48655%0.547SS..Hα-helixtrans-86.4-13179.3-76.9178.9-68.600113.4K259 F260 P265K259-Q263 HydrophobicContact CG-CG 4.37Å; K259-Q263 WeakPolarHBondContact O-CG 3.42Å; K259-Q263 PolarHBondContact O-N 3.31Å; F260-Q263 PolarHBondContact O-N 3.17Å; Q263-P265 WeakPolarHBondContact O-CD 3.43Å
264K74.2Confident74.2Confident98 Ų98111.4 Ų111.443%0.42658%0.583SS.*SBendtrans-67.6115.7168.6-79.1-169.6168.7-161.60110.4F260 E267F260-K264 PolarHBondContact O-N 3.36Å; K264-E267 VanDerWaalsContact CD-OE2 3.31Å; K264-E267 WeakPolarHBondContact CD-OE2 3.3Å; K264-E267 VanDerWaalsContact NZ-CD 3.31Å; K264-E267 IonicContact NZ-OE1 2.77Å; K264-E267 PolarHBondContact NZ-OE1 3.12Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 2.79Å
265P65.3Low71.4Confident129 Ų129118.1 Ų118.184%0.83861%0.605SS**SBendtrans-74.8132167.2-6.726.3000108.9Q263Q263-P265 WeakPolarHBondContact O-CD 3.43Å
266G62.5Low68.8Low78 Ų78115.5 Ų115.580%0.80460%0.602SS**SBendtrans129.3-3716800000116.9
267E58.6Low66.2Low125 Ų125122.1 Ų122.158%0.58464%0.639SS**SBendtrans-102.7-3.4-162.5-68.1170.7179.100116K264K264-E267 VanDerWaalsContact CD-OE2 3.31Å; K264-E267 WeakPolarHBondContact CD-OE2 3.3Å; K264-E267 VanDerWaalsContact NZ-CD 3.31Å; K264-E267 IonicContact NZ-OE1 2.77Å; K264-E267 PolarHBondContact NZ-OE1 3.12Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 2.79Å
268N52.6Low63.6Low110 Ų110128.1 Ų128.159%0.58867%0.672SS**  trans-133.332.4-170.1-72.4-107.1000114.1Y270N268-Y270 PolarHBondContact O-N 3.14Å
269L51Low61Low156 Ų156130.3 Ų130.382%0.81769%0.686SS**  trans-87.643.4176.5-158.276000113.3
270Y49.5Very low58.4Low213 Ų213130.6 Ų130.684%0.83570%0.696SS**  trans-12788.2169.6-67.6-68.4000109.3N268 S272N268-Y270 PolarHBondContact O-N 3.14Å; Y270-S272 PolarHBondContact O-N 2.85Å
271P53.2Low55.8Low105 Ų105132.2 Ų132.268%0.68272%0.715SS**  trans-63.5119.4162.328.4-31.5000107.4T273P271-T273 PolarHBondContact O-N 3.4Å
272S45Very low53Low124 Ų124134.7 Ų134.787%0.86773%0.734SS**  trans-69.577.7171.1-550000109.6Y270 S274Y270-S272 PolarHBondContact O-N 2.85Å; S272-S274 PolarHBondContact O-N 3.38Å
273T44.7Very low50.3Low124 Ų124128.7 Ų128.776%0.76174%0.736SS**  trans-60.3108.2164.146.10000107.3P271 Y275P271-T273 PolarHBondContact O-N 3.4Å; T273-Y275 PolarHBondContact O-N 3.14Å
274S45Very low47.9Very low111 Ų111133.3 Ų133.378%0.77675%0.754SS**  trans-46.9130.8171.6-172.90000109.3S272 G276S272-S274 PolarHBondContact O-N 3.38Å; S274-G276 PolarHBondContact O-N 2.74Å
275Y41.3Very low46.2Very low245 Ų245135.3 Ų135.396%0.96177%0.769SS**  trans-73.582.6173.4-149.3-86000107.8T273T273-Y275 PolarHBondContact O-N 3.14Å
276G43.2Very low44.8Very low46 Ų46139.7 Ų139.747%0.47477%0.768SS.*  trans-117.8109.3-179.300000110S274 M278S274-G276 PolarHBondContact O-N 2.74Å; G276-M278 PolarHBondContact O-N 3.26Å
277D42.2Very low43.3Very low153 Ų153140.8 Ų140.882%0.81876%0.763SS**  trans28.188.2153.8-50.1-41.2000116.8D279D277-D279 PolarHBondContact O-N 3.08Å
278M45.3Very low42.2Very low189 Ų189147 Ų14793%0.93178%0.781SS**  trans-86.695.9158.9-80.7-72.6158.300108.8G276G276-M278 PolarHBondContact O-N 3.26Å
279D42.9Very low40.9Very low139 Ų139151 Ų15174%0.74379%0.794SS**  trans-70.8144-170.6-143-30.7000113.4D277D277-D279 PolarHBondContact O-N 3.08Å
280T41.8Very low40.3Very low116 Ų116148.4 Ų148.471%0.71279%0.787SS**  trans22.7113.8154.2-53.90000119.8
281S40.3Very low39.4Very low92 Ų92144.4 Ų144.464%0.64378%0.784SS**SBendtrans-27.8144.9166.759.70000120.4
282N35.8Very low38.3Very low166 Ų166150.5 Ų150.589%0.88879%0.794SS**  trans63.995.1146.3-61.6-22.9000118.8
283G35.4Very low37.6Very low79 Ų79149.6 Ų149.681%0.81479%0.787SS**  trans-156.277.3176.700000115.7
284F35.7Very low36.9Very low201 Ų201151.8 Ų151.888%0.88279%0.788SS**  trans-32.2150.4169.4-95.8-96.9000118.6
285I39.2Very low36.2Very low141 Ų141153.5 Ų153.572%0.72379%0.788SS**  trans103.5116.4149.3-56.5-120000120.2
286R35.9Very low35.6Very low221 Ų221147.2 Ų147.283%0.83478%0.78SS**  trans55.398.7150.1-70.9172.9175.8-162.9-2.3122
287S30.3Very low35Very low100 Ų100152.3 Ų152.370%0.69980%0.795SS**  19.9116117.463.50000120.6
288R35.6Very low34.4Very low255 Ų255152 Ų15296%0.96279%0.794SS**  trans-152.5106.2133.3-128.1176.9-175-176.40.7112.6
289F25.9Very low33.6Very low195 Ų195146.5 Ų146.586%0.85579%0.785SS**  trans-67.2178.8162.3-75.5-77.8000110.9
290P37.9Very low32.8Very low102 Ų102147.4 Ų147.466%0.66279%0.788SS**  cis-143.2-162.616.231.4-4.9000116.7
291T31.5Very low32Very low128 Ų128150.5 Ų150.579%0.78579%0.794SS**  trans84.2142.6161.871.80000117.3
292R28.6Very low31.4Very low233 Ų233154 Ų15488%0.87980%0.804SS**  cis-176.2142.6-11.4171.2-178.6-166.5-171.85.2104.7
293C30.5Very low31Very low106 Ų106151.7 Ų151.772%0.71680%0.796SS**  cis-140.4154.228.733.50000110.3
294H30.6Very low30.7Very low169 Ų169157.1 Ų157.178%0.78280%0.801SS**  59.4126.266.7-78.4-90.3000113.6
295N30.1Very low30.4Very low147 Ų147151.5 Ų151.579%0.78679%0.792SS**  cis-130.3159.320.4-70.8-41.8000114.8
296S28.7Very low29.9Very low113 Ų113152 Ų15279%0.7980%0.795SS**  trans-97.4160.2158.6-57.20000110.8
297I30.3Very low29.5Very low153 Ų153146.2 Ų146.279%0.78579%0.789SS**  trans-154.5125.6139.7-100.5152.4000105.9
298D30.4Very low29.3Very low148 Ų148147.4 Ų147.479%0.79179%0.792SS**  trans26.5127.9153.9-40.4-36.9000118.6
299G27.3Very low28.9Very low72 Ų72142 Ų14274%0.74278%0.781SS**  96126.951.200000108.1
300I27.1Very low28.8Very low159 Ų159142 Ų14282%0.81578%0.775SS**  cis-148.6153.429.5-75.8156.4000110L302I300-L302 HydrophobicContact CG2-CG 4.18Å
301H24.1Very low28.2Very low181 Ų181145.4 Ų145.484%0.83878%0.78SS**  trans-94137.4162.7-96.3-97.3000110.8
302L28.1Very low28Very low164 Ų164146.2 Ų146.286%0.85978%0.78SS**  trans-140.7155.1160.5-76.7179.4000110.4I300I300-L302 HydrophobicContact CG2-CG 4.18Å
303T27.6Very low28Very low118 Ų118143.2 Ų143.272%0.72478%0.775SS**  trans-130.8132.6-166.148.60000113
304E28.7Very low27.8Very low194 Ų194145.5 Ų145.591%0.90778%0.781SS**  trans62.3158.6154.4-61.7-169.2131.200121.3
305A30.7Very low27.8Very low83 Ų83143 Ų14369%0.68678%0.782SS**  trans73.394.4164.600000120.6
306N28.9Very low27.7Very low150 Ų150145 Ų14580%0.80278%0.784SS**  72.5108.8125.3-60.9-9.9000122.2
307S27.7Very low27.6Very low101 Ų101146.2 Ų146.271%0.70679%0.787SS**  81.1102.3121.2-550000121.3
308T26Very low27.4Very low124 Ų124143.4 Ų143.476%0.76178%0.776SS**  trans73.6122.5137-30.30000118.8
309I25.3Very low27.3Very low142 Ų142145.4 Ų145.473%0.72878%0.781SS**  173.3115.9114.7-88.3171.1000114.5
310W24.5Very low27.3Very low195 Ų195150.7 Ų150.774%0.73978%0.779SS**  trans55.8149.8142.7-59.751.7000125.3
311F24.6Very low27.3Very low173 Ų173151.4 Ų151.476%0.75979%0.785SS**  trans67.3156.8159.5-60.3-58.8000118
312N28.6Very low27.5Very low145 Ų145148.5 Ų148.578%0.77578%0.78SS**  cis-142.2173.2-0.4-148.2-19.9000111.6
313H27.7Very low27.4Very low170 Ų170146 Ų14679%0.78778%0.776SS**  trans-73.2164.8-177.9-98.5-109.2000115.6
314N26.9Very low27.4Very low155 Ų155149.6 Ų149.683%0.82978%0.781SS**  trans76.354.3163.2-68.6-3.6000119.6
315S29.7Very low27.3Very low116 Ų116145.3 Ų145.381%0.81177%0.771SS**  trans-155162.713966.30000113.7
316K28.6Very low27.2Very low190 Ų190146.2 Ų146.283%0.82676%0.763SS**SBendtrans-51.5151.8-171.6-61.5159.4179.4172.10114.8
317T25.9Very low27.2Very low138 Ų138145.7 Ų145.785%0.84776%0.761SS**  trans51.992.316051.10000116.3
318V27.5Very low27.2Very low94 Ų94148.5 Ų148.557%0.5777%0.768SS**  trans-101.1112.8163.8-1720000109.1Y320V318-Y320 HydrophobicContact CB-CD2 4.29Å; V318-Y320 HydrophobicContact CB-CE2 3.78Å; V318-Y320 HydrophobicContact CG1-CD1 4.3Å; V318-Y320 HydrophobicContact CG1-CD2 3.92Å; V318-Y320 HydrophobicContact CG1-CE1 3.9Å; V318-Y320 HydrophobicContact CG1-CE2 3.48Å; V318-Y320 VanDerWaalsContact CG1-CE2 3.48Å; V318-Y320 HydrophobicContact CG1-CG 4.32Å; V318-Y320 VanDerWaalsContact CG1-CZ 3.47Å; V318-Y320 PolarHBondContact O-N 3.48Å
319E27.2Very low27.4Very low189 Ų189149.4 Ų149.488%0.88377%0.767SS**  trans-76117.7167.1-66.2-174.5130.800109.1
320Y28.2Very low27.4Very low183 Ų183150.8 Ų150.872%0.71877%0.77SS**  trans-103.1120.9172.3-72.6-75.3000110.1V318 T322V318-Y320 HydrophobicContact CB-CD2 4.29Å; V318-Y320 HydrophobicContact CB-CE2 3.78Å; V318-Y320 HydrophobicContact CG1-CD1 4.3Å; V318-Y320 HydrophobicContact CG1-CD2 3.92Å; V318-Y320 HydrophobicContact CG1-CE1 3.9Å; V318-Y320 HydrophobicContact CG1-CE2 3.48Å; V318-Y320 VanDerWaalsContact CG1-CE2 3.48Å; V318-Y320 HydrophobicContact CG1-CG 4.32Å; V318-Y320 VanDerWaalsContact CG1-CZ 3.47Å; V318-Y320 PolarHBondContact O-N 3.48Å; Y320-T322 PolarHBondContact O-N 3Å
321N26.8Very low27.5Very low175 Ų175149 Ų14994%0.93677%0.774SS**  trans-61.9105.6173.9-73.5-51.2000110.3
322T28.6Very low27.8Very low120 Ų120145.6 Ų145.674%0.73677%0.767SS**  trans-89.5120.9-178.9380000111.6Y320Y320-T322 PolarHBondContact O-N 3Å
323C25.2Very low27.9Very low112 Ų112146 Ų14676%0.75777%0.769SS**  trans-68.7143174.4-170.90000110.8C325C323-C325 PolarHBondContact O-N 3.08Å
324K27.9Very low28.2Very low193 Ų193146 Ų14684%0.83977%0.767SS**  trans-96.559.7-172.5-160.3177.2-175.5175.80112.7
325C26.4Very low28.4Very low103 Ų103148.8 Ų148.870%0.69677%0.767SS**  trans-70.6136.5173.7-60.40000110.9C323C323-C325 PolarHBondContact O-N 3.08Å
326I28.2Very low28.4Very low102 Ų102151.3 Ų151.352%0.52377%0.772SS.*  trans-122.5133174.2-78.1177.6000108.3N328I326-N328 PolarHBondContact O-N 2.93Å
327N29.7Very low28.4Very low140 Ų140148.4 Ų148.475%0.74977%0.77SS**THydrogen-bonded Turntrans64.815.3167-60.5-2.9000119.4L329N327-L329 VanDerWaalsContact O-CD1 3.29Å; N327-L329 WeakPolarHBondContact O-CD1 3.19Å; N327-L329 PolarHBondContact O-N 3.08Å
328N28.5Very low28.6Very low160 Ų160150.7 Ų150.786%0.85677%0.771SS**THydrogen-bonded Turntrans52.622.3167.9-69.60.6000116.9I326I326-N328 PolarHBondContact O-N 2.93Å
329L30.1Very low28.5Very low143 Ų143150.7 Ų150.775%0.74977%0.773SS**  trans-109.2112.2173.2-94.271.6000109.6N327 I331N327-L329 VanDerWaalsContact O-CD1 3.29Å; N327-L329 WeakPolarHBondContact O-CD1 3.19Å; N327-L329 PolarHBondContact O-N 3.08Å; L329-I331 PolarHBondContact O-N 3.44Å
330E25.2Very low28.5Very low170 Ų170147.8 Ų147.879%0.79477%0.772SS**  trans-67.1113156.1-78.9-171.1133.800108.7T332E330-T332 VanDerWaalsContact C-N 3.25Å; E330-T332 HydrophobicContact CB-CG2 4.18Å; E330-T332 PolarHBondContact O-N 2.78Å
331I26.9Very low28.5Very low159 Ų159144.2 Ų144.282%0.81577%0.774SS**  trans-90.874.9157.2-54.7178.9000105.7L329L329-I331 PolarHBondContact O-N 3.44Å
332T29.6Very low28.8Very low101 Ų101142.9 Ų142.962%0.6277%0.767SS**  trans-72.9132.2173.429.80000109.9E330 K334E330-T332 VanDerWaalsContact C-N 3.25Å; E330-T332 HydrophobicContact CB-CG2 4.18Å; E330-T332 PolarHBondContact O-N 2.78Å; T332-K334 PolarHBondContact O-N 2.77Å
333D30.7Very low28.7Very low152 Ų152146 Ų14681%0.81377%0.771SS**  trans-65.3128.6176.4-97.3-55.3000111
334K34.8Very low28.9Very low170 Ų170148.7 Ų148.774%0.73978%0.776SS**SBendtrans7.6117.8161.7-64.5176.4179.1169.80117.6T332T332-K334 PolarHBondContact O-N 2.77Å
335Y30.5Very low28.8Very low214 Ų214145.1 Ų145.184%0.83977%0.766SS**  trans74.878.1164.7-44-74.2000116.4
336D30.5Very low28.7Very low169 Ų169147.6 Ų147.690%0.90477%0.773SS**  -164.5148.9104-108.3-28.9000112.3
337T28.9Very low28.6Very low129 Ų129149.2 Ų149.279%0.79179%0.788SS**  trans-123.598.9-176.555.20000113.2
338Q28.5Very low28.5Very low186 Ų186145.8 Ų145.887%0.86978%0.775SS**  trans-144.8147.2156.5-88.9-60.5-68.700110.1
339P26.5Very low28.4Very low94 Ų94146 Ų14661%0.6177%0.774SS**  trans-101.2138.3-164.136.7-32.7000115.2S341P339-S341 PolarHBondContact O-N 3Å; P339-S341 VanDerWaalsContact O-N 3.14Å
340C26.6Very low28.2Very low128 Ų128148 Ų14887%0.86578%0.777SS**  trans-80.485.9167.1-73.80000111.4N342C340-N342 PolarHBondContact O-N 3.17Å
341S28.4Very low28.3Very low109 Ų109144.2 Ų144.276%0.76276%0.762SS**  trans-69.779.1178-63.80000113.6P339P339-S341 PolarHBondContact O-N 3Å; P339-S341 VanDerWaalsContact O-N 3.14Å
342N33.2Very low28.4Very low147 Ų147145.4 Ų145.479%0.78676%0.763SS**  trans-128.3111167.8-84.3-39.2000110.4C340 L344C340-N342 PolarHBondContact O-N 3.17Å; N342-L344 PolarHBondContact O-N 3.44Å
343K27.4Very low28.7Very low185 Ų185145.7 Ų145.780%0.80476%0.757SS**  trans-72.3121.9167.8-77.1-170.6171.9-165.60109.7
344L28.3Very low29Very low168 Ų168143.2 Ų143.288%0.8874%0.744SS**  trans-121.896.1161.1-84.9164.7000107.7N342N342-L344 PolarHBondContact O-N 3.44Å
345D26.1Very low29.5Very low118 Ų118139.5 Ų139.563%0.63173%0.732SS**  trans-76.7139.6174.4-62.2-52.7000110
346N24.4Very low30.3Very low155 Ų155133.5 Ų133.583%0.82971%0.711SS**SBendtrans54.675.7157.6-56.8-27000119.1
347T26.6Very low31.6Very low137 Ų137129.2 Ų129.284%0.8469%0.692SS**  trans-176.8155.9151.125.10000108.8
348S27.2Very low33.2Very low68 Ų68127.2 Ų127.248%0.47668%0.675SS.*  cis-163.8131.4-11.641.40000108.4F350S348-F350 PolarHBondContact O-N 3.43Å; S348-F350 WeakPolarHBondContact OG-CE2 3.49Å
349I25.6Very low34.5Very low165 Ų165124.1 Ų124.185%0.84666%0.659SS**  trans-9098.7177-59.2177.5000109.3I351I349-I351 HydrophobicContact CG2-CG1 4.47Å; I349-I351 PolarHBondContact O-N 3.07Å
350F26.1Very low35.7Very low183 Ų183122.9 Ų122.980%0.80365%0.65SS**  trans-78.7108.7175.9-70.9-73.9000111.4S348S348-F350 PolarHBondContact O-N 3.43Å; S348-F350 WeakPolarHBondContact OG-CE2 3.49Å
351I27.2Very low37.5Very low92 Ų92119.3 Ų119.347%0.47262%0.622SS.*  trans-92.5130.3164.3-54.5175.1000107.7I349 H353 L387I349-I351 HydrophobicContact CG2-CG1 4.47Å; I349-I351 PolarHBondContact O-N 3.07Å; I351-H353 WeakPolarHBondContact CG2-NE2 3.45Å; I351-H353 PolarHBondContact O-N 2.96Å; I351-L387 HydrophobicContact CD1-CD1 4.39Å
352H28.5Very low39Very low184 Ų184122.1 Ų122.185%0.85263%0.628SS**  trans-68.690.9174.6-104.2-88.9000110.6
353H36Very low40.4Very low106 Ų106121 Ų12149%0.49162%0.622SS.*  trans-131.7140.7171.7-70.8-16.5000108.8I351 L355 L371I351-H353 WeakPolarHBondContact CG2-NE2 3.45Å; I351-H353 PolarHBondContact O-N 2.96Å; H353-L355 VanDerWaalsContact C-N 3.34Å; H353-L355 HydrophobicContact CB-CG 4.17Å; H353-L355 PolarHBondContact O-N 2.89Å; H353-L371 HydrophobicContact CB-CD1 3.89Å
354D38.9Very low41.5Very low101 Ų101118.7 Ų118.754%0.5462%0.619SS.*  trans-66.396169.3-72.9-46.6000108.4K372D354-K372 HydrophobicContact CB-CB 3.69Å; D354-K372 HydrophobicContact CB-CD 4.49Å; D354-K372 WeakPolarHBondContact O-CB 3.4Å; D354-K372 PolarHBondContact O-N 2.99Å
355L43.6Very low42.4Very low91 Ų91116.3 Ų116.348%0.47660%0.603SS.*EExtended strand (participates in β ladder)trans-101121.2179.6-71.4172.2000110.6H353 C369 K370 L371H353-L355 VanDerWaalsContact C-N 3.34Å; H353-L355 HydrophobicContact CB-CG 4.17Å; H353-L355 PolarHBondContact O-N 2.89Å; L355-C369 HydrophobicContact CB-CB 4.4Å; L355-C369 HydrophobicContact CD2-CB 4.42Å; L355-K370 CarbonylContact C-O 3.47Å; L355-K370 WeakPolarHBondContact CA-O 2.98Å; L355-L371 HydrophobicContact CD2-CD1 3.95Å
356E48.4Very low43.4Very low88 Ų88115.3 Ų115.341%0.41160%0.597SS.*EExtended strand (participates in β ladder)trans-92.6126.3172.1-179.1162.7-105.800108.9I358 C369 K370 K372E356-I358 PolarHBondContact O-N 3.04Å; E356-C369 CarbonylContact O-C 3.56Å; E356-C369 WeakPolarHBondContact O-CA 3.42Å; E356-C369 WeakPolarHBondContact O-CB 3.31Å; E356-K370 HydrophobicContact CB-CB 4.38Å; E356-K370 PolarHBondContact N-O 2.86Å; E356-K370 PolarHBondContact O-N 3.39Å; E356-K372 HydrophobicContact CB-CG 4.49Å
357T57.1Low45Very low80 Ų80112.4 Ų112.449%0.49159%0.585SS.*EExtended strand (participates in β ladder)trans-73.8119.9-179.7-56.60000109.3T360 L366T357-T360 HydrophobicContact CG2-CG2 4.27Å; T357-L366 HydrophobicContact CG2-CD1 3.86Å; T357-L366 HydrophobicContact CG2-CG 4.15Å; T357-L366 WeakPolarHBondContact OG1-CD1 3.37Å
358I62.9Low46.1Very low86 Ų86110 Ų11044%0.44156%0.564SS.*EExtended strand (participates in β ladder)trans-86.3-41.7173.7-57.4178.4000109.6E356 E368 K370E356-I358 PolarHBondContact O-N 3.04Å; I358-E368 HydrophobicContact CB-CB 4.05Å; I358-E368 HydrophobicContact CB-CG 4Å; I358-E368 HydrophobicContact CD1-CG 4.08Å; I358-E368 HydrophobicContact CG2-CG 4.26Å; I358-E368 PolarHBondContact N-O 3.12Å; I358-K370 HydrophobicContact CD1-CB 3.82Å; I358-K370 HydrophobicContact CD1-CG 4.31Å; I358-K370 HydrophobicContact CG1-CB 3.95Å
359K56.3Low47.1Very low122 Ų122109 Ų10953%0.5356%0.557SS.*EExtended strand (participates in β ladder)trans-154.5136.6-169.1-145.2171.8-171.2173.20113.1V367 E368K359-V367 PolarHBondContact O-N 3.07Å; K359-E368 HydrophobicContact CB-CB 3.62Å; K359-E368 PolarHBondContact N-O 2.97Å; K359-E368 PolarHBondContact O-N 3.22Å; K359-E368 VanDerWaalsContact O-N 3.09Å
360T51.6Low47.9Very low68 Ų68105.5 Ų105.542%0.41754%0.535SS..EExtended strand (participates in β ladder)trans-108.2162.7164.349.10000110.6T357 Q365T357-T360 HydrophobicContact CG2-CG2 4.27Å; T360-Q365 CarbonylContact C-O 3.51Å; T360-Q365 WeakPolarHBondContact CA-O 3.2Å
361N63.1Low48.6Very low52 Ų52101 Ų10128%0.27852%0.519SS..  trans-89.2178.4163.668.917.1000110.9N363 D364 Q365 V367N361-N363 PolarHBondContact O-N 2.83Å; N361-N363 WeakPolarHBondContact OD1-CA 3.18Å; N361-N363 WeakPolarHBondContact OD1-CB 3.49Å; N361-N363 PolarHBondContact OD1-N 3.31Å; N361-D364 PolarHBondContact O-N 3.1Å; N361-Q365 PolarHBondContact N-O 3.12Å; N361-Q365 PolarHBondContact ND2-OE1 3.22Å; N361-Q365 WeakPolarHBondContact OD1-CB 3.46Å; N361-Q365 PolarHBondContact OD1-N 3.48Å; N361-Q365 VanDerWaalsContact OD1-N 3.12Å; N361-V367 HydrophobicContact CB-CG2 3.7Å
362N60.9Low49.5Very low169 Ų169102 Ų10290%0.90452%0.52SS*.THydrogen-bonded Turntrans-63.3-4-179.7-59.34.3000114.6
363N62.8Low50Low122 Ų12299.7 Ų99.765%0.65251%0.51SS*.THydrogen-bonded Turntrans-111.119.8178-57.2-9.7000111.5N361 Q365N361-N363 PolarHBondContact O-N 2.83Å; N361-N363 WeakPolarHBondContact OD1-CA 3.18Å; N361-N363 WeakPolarHBondContact OD1-CB 3.49Å; N361-N363 PolarHBondContact OD1-N 3.31Å; N363-Q365 HydrophobicContact CB-CG 4.28Å; N363-Q365 PolarHBondContact O-N 2.93Å
364D49.2Very low50Low138 Ų138100.5 Ų100.574%0.73852%0.518SS*.SBendtrans55.813.3-174-69-43.5000115.7N361N361-D364 PolarHBondContact O-N 3.1Å
365Q48.1Very low49.5Very low117 Ų117100.7 Ų100.755%0.54753%0.527SS..  trans-74.3132.4173.7-57.2173.8-35.400109.3T360 N361 N363 V367T360-Q365 CarbonylContact C-O 3.51Å; T360-Q365 WeakPolarHBondContact CA-O 3.2Å; N361-Q365 PolarHBondContact N-O 3.12Å; N361-Q365 PolarHBondContact ND2-OE1 3.22Å; N361-Q365 WeakPolarHBondContact OD1-CB 3.46Å; N361-Q365 PolarHBondContact OD1-N 3.48Å; N361-Q365 VanDerWaalsContact OD1-N 3.12Å; N363-Q365 HydrophobicContact CB-CG 4.28Å; N363-Q365 PolarHBondContact O-N 2.93Å; Q365-V367 PolarHBondContact O-N 3.1Å
366L47.2Very low48.9Very low98 Ų98104.1 Ų104.151%0.51355%0.546SS..EExtended strand (participates in β ladder)trans-67.9114.4178.2-173.9146.4000110T357 C369T357-L366 HydrophobicContact CG2-CD1 3.86Å; T357-L366 HydrophobicContact CG2-CG 4.15Å; T357-L366 WeakPolarHBondContact OG1-CD1 3.37Å; L366-C369 HydrophobicContact CD1-CB 4.46Å; L366-C369 HydrophobicContact CD2-CB 4.01Å
367V58.6Low47.8Very low94 Ų94104.9 Ų104.957%0.5756%0.561SS**EExtended strand (participates in β ladder)trans-94.6-34.8179.9174.90000110.9K359 N361 Q365K359-V367 PolarHBondContact O-N 3.07Å; N361-V367 HydrophobicContact CB-CG2 3.7Å; Q365-V367 PolarHBondContact O-N 3.1Å
368E48.3Very low46.4Very low86 Ų86110 Ų11040%0.40257%0.573SS.*EExtended strand (participates in β ladder)trans-147.7132.6-168.6-158.1-171.8160.600110.5I358 K359I358-E368 HydrophobicContact CB-CB 4.05Å; I358-E368 HydrophobicContact CB-CG 4Å; I358-E368 HydrophobicContact CD1-CG 4.08Å; I358-E368 HydrophobicContact CG2-CG 4.26Å; I358-E368 PolarHBondContact N-O 3.12Å; K359-E368 HydrophobicContact CB-CB 3.62Å; K359-E368 PolarHBondContact N-O 2.97Å; K359-E368 PolarHBondContact O-N 3.22Å; K359-E368 VanDerWaalsContact O-N 3.09Å
369C49.2Very low44.9Very low47 Ų47111 Ų11132%0.31858%0.579SS.*EExtended strand (participates in β ladder)trans-143.8152.6176.957.80000112.4L355 E356 L366L355-C369 HydrophobicContact CB-CB 4.4Å; L355-C369 HydrophobicContact CD2-CB 4.42Å; E356-C369 CarbonylContact O-C 3.56Å; E356-C369 WeakPolarHBondContact O-CA 3.42Å; E356-C369 WeakPolarHBondContact O-CB 3.31Å; L366-C369 HydrophobicContact CD1-CB 4.46Å; L366-C369 HydrophobicContact CD2-CB 4.01Å
370K41.4Very low43.8Very low92 Ų92111.2 Ų111.240%0.458%0.579SS.*EExtended strand (participates in β ladder)trans-111145.5-179.2-152.8-178.3174-175.10110.3L355 E356 I358 K372L355-K370 CarbonylContact C-O 3.47Å; L355-K370 WeakPolarHBondContact CA-O 2.98Å; E356-K370 HydrophobicContact CB-CB 4.38Å; E356-K370 PolarHBondContact N-O 2.86Å; E356-K370 PolarHBondContact O-N 3.39Å; I358-K370 HydrophobicContact CD1-CB 3.82Å; I358-K370 HydrophobicContact CD1-CG 4.31Å; I358-K370 HydrophobicContact CG1-CB 3.95Å; K370-K372 PolarHBondContact O-N 2.73Å
371L41.1Very low42.7Very low88 Ų88117.4 Ų117.446%0.46160%0.597SS.*EExtended strand (participates in β ladder)trans-67.3129.6160.1-12884.7000109.3H353 L355 Q373H353-L371 HydrophobicContact CB-CD1 3.89Å; L355-L371 HydrophobicContact CD2-CD1 3.95Å; L371-Q373 PolarHBondContact O-N 2.94Å
372K45.8Very low41.1Very low112 Ų112121.1 Ų121.149%0.48762%0.616SS.*  trans-69.2122.3173.2-133.4169.5-169.6172.30108.8D354 E356 K370 N374D354-K372 HydrophobicContact CB-CB 3.69Å; D354-K372 HydrophobicContact CB-CD 4.49Å; D354-K372 WeakPolarHBondContact O-CB 3.4Å; D354-K372 PolarHBondContact O-N 2.99Å; E356-K372 HydrophobicContact CB-CG 4.49Å; K370-K372 PolarHBondContact O-N 2.73Å; K372-N374 VanDerWaalsContact C-N 3.3Å; K372-N374 PolarHBondContact O-N 3.43Å
373Q40Very low39.8Very low137 Ų137117.6 Ų117.664%0.6460%0.6SS**  trans-78.772.3-167.9-72.3-176.2-28.200113.3L371 S375L371-Q373 PolarHBondContact O-N 2.94Å; Q373-S375 PolarHBondContact O-N 3.47Å
374N35.3Very low38.4Very low123 Ų123118.8 Ų118.866%0.65861%0.607SS**SBendtrans-78.172.2162.3-73.6-24000110.1K372 D376K372-N374 VanDerWaalsContact C-N 3.3Å; K372-N374 PolarHBondContact O-N 3.43Å; N374-D376 PolarHBondContact O-N 3.43Å
375S29.2Very low37.8Very low105 Ų105119.8 Ų119.873%0.73461%0.612SS**SBendtrans42.163.3163.166.50000117.7Q373Q373-S375 PolarHBondContact O-N 3.47Å
376D30.2Very low36.9Very low162 Ų162121.2 Ų121.287%0.86662%0.619SS**SBendtrans-172148.2130.9-95.6-21.6000110.4N374 Y378N374-D376 PolarHBondContact O-N 3.43Å; D376-Y378 PolarHBondContact O-N 3.41Å
377S26.3Very low36.1Very low104 Ų104121.8 Ų121.873%0.72762%0.621SS**  trans-90.8101.5-16258.60000114.4
378Y27.1Very low34.7Very low189 Ų189123.6 Ų123.674%0.74163%0.628SS**  trans-132101.2159.3-86.1-85.1000111.1D376 K380D376-Y378 PolarHBondContact O-N 3.41Å; Y378-K380 PolarHBondContact O-N 3.09Å
379N30.4Very low33.9Very low107 Ų107124.6 Ų124.657%0.57264%0.641SS**  trans-81.1113168.2-68.2-22.8000108.8
380K34.7Very low33.1Very low125 Ų125126.6 Ų126.654%0.54365%0.652SS.*  trans-106.3128.5161.4-78.3-167.7171.6-169.50109.2Y378 L387Y378-K380 PolarHBondContact O-N 3.09Å; K380-L387 HydrophobicContact CD-CD2 3.92Å; K380-L387 VanDerWaalsContact NZ-CD2 3.32Å
381Y27.7Very low32.6Very low198 Ų198128.9 Ų128.978%0.77667%0.669SS**  trans-90.1130.8169.3-62.3-81.7000108.7
382L29Very low32.1Very low130 Ų130132.1 Ų132.168%0.68169%0.687SS**  trans-83.8131.9164.1-102.786.8000109
383V34.1Very low31.1Very low95 Ų95133.1 Ų133.158%0.57671%0.706SS**BIsolated β-bridgetrans-135.9129.4165.2-179.30000107.1N385 E386V383-N385 VanDerWaalsContact C-N 3.29Å; V383-N385 PolarHBondContact O-N 2.88Å; V383-N385 VanDerWaalsContact O-N 3.1Å; V383-E386 PolarHBondContact O-N 3.3Å
384N34.4Very low30.5Very low148 Ų148131.3 Ų131.379%0.79171%0.709SS**THydrogen-bonded Turntrans50.836.7170.6-56.9-12.3000116.3E386N384-E386 PolarHBondContact O-N 3.44Å; N384-E386 VanDerWaalsContact O-N 3.12Å
385N35.5Very low30.1Very low158 Ų158134.4 Ų134.485%0.84572%0.716SS**THydrogen-bonded Turntrans62.25.2179.5-65-21.1000117V383V383-N385 VanDerWaalsContact C-N 3.29Å; V383-N385 PolarHBondContact O-N 2.88Å; V383-N385 VanDerWaalsContact O-N 3.1Å
386E29.6Very low30Very low148 Ų148136.8 Ų136.869%0.69272%0.721SS**BIsolated β-bridgetrans-101.6139.3177.8-67.9-165.7137.900112.6V383 N384 L388V383-E386 PolarHBondContact O-N 3.3Å; N384-E386 PolarHBondContact O-N 3.44Å; N384-E386 VanDerWaalsContact O-N 3.12Å; E386-L388 PolarHBondContact O-N 3.11Å
387L30.4Very low29.7Very low109 Ų109136.9 Ų136.957%0.57172%0.72SS**  trans-105.668.5-169-129.6168.3000110.8I351 K380I351-L387 HydrophobicContact CD1-CD1 4.39Å; K380-L387 HydrophobicContact CD-CD2 3.92Å; K380-L387 VanDerWaalsContact NZ-CD2 3.32Å
388L28.6Very low29.8Very low133 Ų133140.4 Ų140.470%0.69673%0.725SS**  trans-62.3143.9-178.5-76.5167.2000112.9E386E386-L388 PolarHBondContact O-N 3.11Å
389P32.6Very low29.5Very low107 Ų107136.6 Ų136.670%0.69573%0.725SS**  trans-67.6131169.3-1731.3000111.4D391P389-D391 PolarHBondContact O-N 3.26Å
390T31Very low29.3Very low89 Ų89139.2 Ų139.255%0.54674%0.739SS.*  trans-91.98217752.90000110.9
391D32Very low28.9Very low139 Ų139141 Ų14174%0.74375%0.749SS**  trans-79.5134.8170-81-37.7000111.8P389P389-D391 PolarHBondContact O-N 3.26Å
392N30.2Very low28.8Very low157 Ų157138.7 Ų138.784%0.8475%0.746SS**  trans5359.4158.4-62.6-36.9000119.2S394N392-S394 PolarHBondContact O-N 3.07Å; N392-S394 VanDerWaalsContact O-N 3.13Å
393C24.3Very low28.7Very low132 Ų132140.7 Ų140.789%0.89275%0.749SS**  trans-79.384.1156.4-169.30000111.2
394S27.3Very low28.3Very low100 Ų100141.6 Ų141.670%0.69976%0.755SS**  trans-160.7107.8167.2-87.80000113.4N392N392-S394 PolarHBondContact O-N 3.07Å; N392-S394 VanDerWaalsContact O-N 3.13Å
395K27.5Very low27.8Very low187 Ų187139.6 Ų139.681%0.81375%0.753SS**  trans62.2101163.6-50171.6-172.7174.10114.1
396N27.5Very low27.4Very low155 Ų155142.3 Ų142.383%0.82976%0.757SS**  -170.3171.170.5-85.4-40000112.2
397L23.7Very low27.4Very low164 Ų164141.9 Ų141.986%0.85976%0.76SS**  trans-79.3121.5167.9-67.472.1000110.4
398H27.3Very low27.2Very low178 Ų178142.3 Ų142.382%0.82477%0.769SS**  -161.5153.4112.2-131.563.6000110.1
399C22.3Very low27.1Very low109 Ų109143.2 Ų143.274%0.73677%0.774SS**  trans-90.8139.1161.9-590000107.6
400D25.4Very low26.8Very low162 Ų162144.5 Ų144.587%0.86678%0.78SS**  -162.4168.8128.3-101.2-22.4000109.6
401E25.7Very low26.5Very low164 Ų164151.8 Ų151.877%0.76680%0.799SS**  trans-90.1177.1-156.4-60.2-177.313900115.8
402Q26.5Very low26.2Very low149 Ų149150.3 Ų150.370%0.69680%0.8SS**  trans92.2150.4152.2-39.3-167.63.700119
403F27.3Very low26Very low172 Ų172151.9 Ų151.975%0.75480%0.799SS**  trans68.373.1170.7-61.2-73.2000120.2
404T25Very low26.2Very low113 Ų113155 Ų15569%0.69380%0.8SS**  33.2125.4118.758.20000120.6
405S24.7Very low26.1Very low107 Ų107158 Ų15875%0.74881%0.806SS**  trans57.397.1147.662.70000118.8
406F27.5Very low26.1Very low215 Ų215157.3 Ų157.394%0.94381%0.806SS**  trans-137.9151.3150.2-107.2-82.5000112.1
407N28Very low26.2Very low139 Ų139155.8 Ų155.874%0.74380%0.796SS**  trans-106.8119.9-165.2-159.51.2000110.6L409N407-L409 PolarHBondContact O-N 3.3Å
408P27.3Very low26.5Very low118 Ų118156 Ų15677%0.76680%0.795SS**  trans-89.388.1-166.333.8-35.3000113.8
409L25.2Very low26.4Very low151 Ų151154.8 Ų154.879%0.79179%0.794SS**  trans-138.351.2175.9-80.7-178.5000115.5N407N407-L409 PolarHBondContact O-N 3.3Å
410T27.4Very low26.9Very low135 Ų135158.7 Ų158.783%0.82880%0.802SS**  trans-162.2103.8158.927.90000112.6
411Y25.1Very low27Very low242 Ų242159.1 Ų159.195%0.94980%0.799SS**  trans-160.794.7150.2-133.8-86.8000113.7
412S24.4Very low27.4Very low108 Ų108156.5 Ų156.576%0.75580%0.796SS**  trans-160.8147.6158.9-150.30000112.7
413K27.4Very low27.5Very low190 Ų190155.9 Ų155.983%0.82680%0.798SS**  trans62.692.7171.1-59178.9-178.3176.20117.2
414H27.1Very low27.7Very low197 Ų197158.9 Ų158.991%0.91281%0.806SS**  trans-140.483.7138.1-111.266.8000110.5
415I25.4Very low27.7Very low163 Ų163160.8 Ų160.884%0.83681%0.811SS**  trans-140.2114.6159.7-62-177.3000106.9
416H28.9Very low28Very low173 Ų173162.9 Ų162.980%0.80181%0.808SS**  trans-150.5105.7160.9-126.3-94.1000111.3
417I28.3Very low28.2Very low122 Ų122159.6 Ų159.663%0.62680%0.796SS**  trans41.4112141.4-49.3-179.9000117.8
418M29.7Very low28.3Very low170 Ų170160.7 Ų160.784%0.83780%0.796SS**  -166132.2108.7-97.2-55.3176.100111.2
419N26.2Very low28.7Very low151 Ų151162.5 Ų162.581%0.80780%0.795SS**  trans-92.9120.9169.2-89.5-22.8000109.6
420Q32.9Very low28.8Very low191 Ų191161.4 Ų161.489%0.89379%0.79SS**  trans-169.4133.2141.7-106.2145.8109.100112.2
421Q27.3Very low29.1Very low171 Ų171160.3 Ų160.380%0.79979%0.788SS**  trans-95.5171.9163.1-101.3-171.21.300108.6
422P33.9Very low29.4Very low110 Ų110153.2 Ų153.271%0.71477%0.773SS**  cis-138.3-176.926.842.2-23.4000117.1
423N28.1Very low29.8Very low136 Ų136157.2 Ų157.273%0.72778%0.777SS**  trans-66.2150170.5-49.4-57.5000112.4
424Y31.4Very low30.1Very low235 Ų235152.2 Ų152.292%0.92277%0.766SS**  trans-149.6166.9140.5-106.6-76.5000110.3
425L26.1Very low30.6Very low153 Ų153150.7 Ų150.780%0.80176%0.759SS**  trans-120.5167.2-167.2-105.4165.7000112
426H29.8Very low31.2Very low151 Ų151148.7 Ų148.770%0.69975%0.75SS**  trans68.1154.9174.5-75.17.6000115.2
427E31.6Very low31.5Very low145 Ų145147.2 Ų147.268%0.67875%0.748SS**  cis-144.1135.5-4.7-114.4144.5162.100106.3
428Q30.8Very low31.8Very low162 Ų162145.3 Ų145.376%0.75775%0.746SS**  78.4149.787.8-159.6177.668.100114
429E34.4Very low32Very low157 Ų157147.1 Ų147.173%0.73474%0.744SS**  trans72.8149.5175.9-54.9-138.1112.700117.4
430N28.5Very low32.5Very low128 Ų128144.5 Ų144.568%0.68474%0.737SS**  cis-169.9177.9-37.4-111.3-37000107.6
431S34.1Very low32.6Very low112 Ų112142.1 Ų142.178%0.78373%0.729SS**  trans74.7151.9168.8810000118.2
432S31.7Very low33Very low92 Ų92140.6 Ų140.664%0.64372%0.723SS**  cis-172171.3-49.8440000110
433F33Very low33.1Very low193 Ų193141.7 Ų141.785%0.84672%0.722SS**  trans68.2146.5175.3-66.1-97.8000116.8
434S33.6Very low33.6Very low84 Ų84142 Ų14259%0.58772%0.719SS**  cis-178.2177.7-37.745.20000109
435E37.3Very low33.8Very low165 Ų165137 Ų13777%0.77170%0.704SS**  trans76.9140.3163.2-54.5-160.214000117.4
436L37.1Very low34.2Very low121 Ų121136.5 Ų136.563%0.63470%0.697SS**  cis-159.2142.2-10.4-110.3168.3000110.3
437N34.7Very low34.4Very low143 Ų143135.9 Ų135.977%0.76569%0.694SS**  trans61.8154.1151.8-69.8-13.9000121.4
438S35.8Very low34.6Very low82 Ų82136 Ų13657%0.57369%0.694SS**  cis-170.7171.8-23.5-171.90000109.9
439Y34.3Very low34.6Very low207 Ų207133.6 Ų133.681%0.81269%0.687SS**  trans71.2144.9175-59.3-82.3000116.7
440C35.8Very low34.5Very low97 Ų97136.5 Ų136.566%0.65569%0.693SS**  cis174.1153.5-25.8-108.80000105.3
441L35.9Very low34.5Very low140 Ų140134.9 Ų134.973%0.73369%0.692SS**  cis-139.8162.87.3-94.6118.8000109.8
442Q34.6Very low34.2Very low140 Ų140139.6 Ų139.665%0.65469%0.694SS**  trans15.1150.4139-85.386.7-31.800121.6
443D35.8Very low34.4Very low133 Ų133143.6 Ų143.671%0.71170%0.702SS**  cis-146.7149.330-106.4-37.6000116.7
444H38.8Very low34.3Very low141 Ų141140.6 Ų140.665%0.65369%0.694SS**  trans10.9155.6136-63.1-42000122.9
445H36.6Very low34.4Very low132 Ų132141.6 Ų141.661%0.61170%0.697SS**  cis-163.3143.1-11.9-123.1-48.8000112.3
446H33.9Very low34.1Very low141 Ų141141 Ų14165%0.65370%0.699SS**  trans44.9145.1132.5-84.311.3000126.6
447H34.4Very low34.1Very low138 Ų138143.3 Ų143.364%0.63971%0.707SS**  trans96.2124.8132.3-83.9-48.6000122.6
448H36Very low33.9Very low147 Ų147143.7 Ų143.768%0.68171%0.708SS**  trans63.4160137.2-73.1-40.6000119.3
449N30.2Very low33.9Very low113 Ų113146.3 Ų146.360%0.60472%0.715SS**  cis-166-177.3-37.1-121.66.5000105.6
450Y31.7Very low34Very low217 Ų217143.7 Ų143.785%0.85171%0.71SS**  trans72.5120.9173.5-52.9-84.2000114.5
451S29.7Very low33.9Very low95 Ų95145.4 Ų145.466%0.66471%0.712SS**  cis92.3111.829.5-168.20000113.9
452Y27.9Very low34.1Very low210 Ų210145.7 Ų145.782%0.82471%0.714SS**  trans47.4113.9156.4-76.6-109.8000118.9
453H35Very low34.4Very low177 Ų177146.5 Ų146.582%0.81972%0.72SS**  -156.4151.3101.6-127.5-83.2000115.3
454N31.2Very low34.7Very low129 Ų129146.2 Ų146.269%0.6972%0.723SS**  trans-101.3127.2171.3160.724.9000109.2
455V35.9Very low34.7Very low105 Ų105142.5 Ų142.564%0.63672%0.723SS**  trans-151.1134.7162.8-178.70000110Q457V455-Q457 HydrophobicContact CG1-CG 4.02Å
456N30.5Very low34.9Very low153 Ų153141.4 Ų141.482%0.81874%0.736SS**  trans-96120162.2-77.3-72.8000110
457Q36.4Very low35.2Very low170 Ų170140 Ų14079%0.79474%0.742SS**  trans-141.5121.4160-72.2175.3-0.400107.3V455V455-Q457 HydrophobicContact CG1-CG 4.02Å
458L31.6Very low35.5Very low151 Ų151137.8 Ų137.879%0.79174%0.743SS**  75.1135.756.9-93170.9000115
459L35.7Very low35.7Very low137 Ų137136.6 Ų136.672%0.71775%0.745SS**  trans74.5143.7166.4-52.5146.3000115.8
460E35.8Very low36.5Very low151 Ų151140.8 Ų140.871%0.70676%0.758SS**  cis-161161.4-21.4-123.9179.1176.500111.9
461L35.2Very low36.9Very low133 Ų133137 Ų13770%0.69675%0.753SS**  trans27.5129.7148.9-65.1163.8000122.1
462N38.8Very low37.4Very low146 Ų146143 Ų14378%0.78176%0.762SS**  -170.4124114.4-94.5-46.6000110.1
463M42.2Very low38.1Very low158 Ų158137.9 Ų137.978%0.77876%0.758SS**  62.5120.594.3-63.7-80.2-80.500112.8
464T42.4Very low39Very low126 Ų126141.2 Ų141.277%0.77378%0.781SS**  cis-145.9-178.39.554.80000109.2
465G38Very low39.4Very low63 Ų63141.8 Ų141.865%0.64979%0.786SS**  cis115.2122.93.500000112.8
466A41Very low39.6Very low109 Ų109143.7 Ų143.790%0.90179%0.794SS**  trans69.7153.3178.500000117.3
467S40.2Very low40.1Very low111 Ų111143.2 Ų143.278%0.77679%0.792SS**  cis-172.1165.1-20.7-177.80000110.6
468S39.7Very low40.4Very low93 Ų93141.6 Ų141.665%0.6579%0.792SS**  trans59.1115159.9-148.70000117.9
469V40.7Very low40.9Very low121 Ų121141.1 Ų141.173%0.73379%0.792SS**  56116.863-176.70000113.9
470K47.3Very low41.3Very low202 Ų202141.3 Ų141.388%0.87880%0.797SS**  trans-168.1126.8142.6-109.9171.1-175-1800111.2
471D40.8Very low41.6Very low138 Ų138140.6 Ų140.674%0.73880%0.804SS**  trans-82.2-165.6166.8-56-81.5000111.5
472Y39.9Very low42.1Very low219 Ų219141.2 Ų141.286%0.85981%0.812SS**  trans84.9104.5-169.1-66-88.6000113.2
473S43Very low42.4Very low104 Ų104140.8 Ų140.873%0.72782%0.815SS**  cis94.610246.9-69.90000112.7
474D54Low42.4Very low246 Ų246139.3 Ų139.3100%1.31682%0.818SS**  trans-149.10131.3-98.6-26.1000107.4

Retrieved 474 of 474 residues in 60.8 ms (Link to these results)