A0A087XXT5_POEFO Loading...

Ubiquilin-4

AlphaFold DB (A0A3B3V6C7), UniProt , Accession A0A087XXT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 583 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
1M42Very low37.9Very low238 Ų238130.1 Ų130.1100%1.17281%0.805SS**  094.20-76.2159.3168.200105
2A39.9Very low37.4Very low93 Ų93129.6 Ų129.677%0.76979%0.793SS**  64.6130.284.800000109.3
3E39.3Very low37.5Very low148 Ų148131.1 Ų131.169%0.69279%0.794SS**  cis-177.7155.43.2-145.8164.664.200104.8
4Q42.6Very low37.3Very low167 Ų167133.1 Ų133.178%0.7880%0.798SS**  trans65132.8153.8-71.1150.325.200119.2
5G36Very low37.3Very low71 Ų71133.4 Ų133.473%0.73279%0.794SS**  cis111129.215.400000111.6
6A40.7Very low37.4Very low101 Ų101135.3 Ų135.384%0.83579%0.789SS**  trans77.4111.4159.600000116.9
7A38.3Very low37.7Very low91 Ų91133.4 Ų133.475%0.75278%0.782SS**  97.9106.878.700000108.4
8D36.9Very low37.5Very low147 Ų147136.1 Ų136.179%0.78679%0.785SS**  72.6146.279.2-165.1-102.7000112.7
9L39.2Very low37.7Very low159 Ų159133.7 Ų133.783%0.83278%0.784SS**  trans92.995.8-172.6-51.7156.3000111.7
10G30.8Very low37.8Very low71 Ų71131.3 Ų131.373%0.73277%0.774SS**  cis83.993.83800000109.7
11N31.3Very low38.1Very low145 Ų145134.7 Ų134.778%0.77578%0.783SS**  trans-179.8119.8136.4-122.410.6000113.1
12N31.6Very low38.7Very low124 Ų124124.4 Ų124.466%0.66374%0.737SS**  45.998123.2-66.1-11.1000118.9
13N39.4Very low40.1Very low149 Ų149124 Ų12480%0.79773%0.726SS**  168.38298.9-90.3-22.7000108.4N15N13-N15 PolarHBondContact O-N 3.24Å
14N34.5Very low42.1Very low159 Ų159122.7 Ų122.785%0.8572%0.722SS**  trans-78.863.4163.5-150.918.2000108.1K16N14-K16 PolarHBondContact O-N 3.4Å; N14-K16 VanDerWaalsContact O-N 3.11Å
15N36.3Very low44Very low138 Ų138114.9 Ų114.974%0.73869%0.686SS**  trans-81.275.9161.3-158.654.1000105.9N13 P17N13-N15 PolarHBondContact O-N 3.24Å; N15-P17 WeakPolarHBondContact O-CD 3.14Å
16K40.3Very low46.2Very low164 Ų164116.3 Ų116.371%0.71367%0.672SS**  trans-69.9105.2159.3-177.4168.9-179.6-174.60104.5N14 E18N14-K16 PolarHBondContact O-N 3.4Å; N14-K16 VanDerWaalsContact O-N 3.11Å; K16-E18 PolarHBondContact O-N 3.34Å
17P41.4Very low48.3Very low103 Ų103111.5 Ų111.567%0.66963%0.632SS**  trans-64.2134.3163.731.5-29.6000105.3N15 A19N15-P17 WeakPolarHBondContact O-CD 3.14Å; P17-A19 PolarHBondContact O-N 3.11Å
18E35.4Very low50.5Low181 Ų181107.8 Ų107.885%0.84660%0.6SS**  trans-41.6136.2174.4-69.3-174.596.800110.5K16 S20K16-E18 PolarHBondContact O-N 3.34Å; E18-S20 PolarHBondContact O-N 3.5Å
19A40.2Very low52.9Low92 Ų92100.8 Ų100.876%0.7656%0.562SS**  trans-63.990.4164.600000107P17 E21P17-A19 PolarHBondContact O-N 3.11Å; A19-E21 PolarHBondContact O-N 2.93Å
20S39.8Very low55Low84 Ų8497.4 Ų97.459%0.58754%0.541SS*.  trans-49121.3143.5-540000105.1E18 G22E18-S20 PolarHBondContact O-N 3.5Å; S20-G22 PolarHBondContact O-N 2.81Å
21E44.8Very low57.5Low204 Ų20495 Ų9595%0.95351%0.512SS*.  trans-62.669.2158.6-83-179.7109.500107.3A19 T23A19-E21 PolarHBondContact O-N 2.93Å; E21-T23 PolarHBondContact O-N 2.68Å
22G53.8Low59.6Low21 Ų2193.8 Ų93.822%0.21651%0.512CS..  trans-70.8127.3171.500000106.4S20 I24S20-G22 PolarHBondContact O-N 2.81Å; G22-I24 PolarHBondContact O-N 2.95Å
23T70.6Confident61.5Low86 Ų8696.8 Ų96.853%0.52852%0.519SS..  trans-44.5112.6172.6-41.10000108.4E21 I25 E42E21-T23 PolarHBondContact O-N 2.68Å; T23-I25 HydrophobicContact CG2-CG2 4.37Å; T23-I25 PolarHBondContact O-N 3.03Å; T23-I25 VanDerWaalsContact O-N 3.14Å; T23-E42 VanDerWaalsContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact O-CB 3.37Å; T23-E42 PolarHBondContact O-N 2.93Å; T23-E42 PolarHBondContact OG1-OE2 3.14Å
24I79.7Confident63.3Low120 Ų12094.6 Ų94.662%0.61551%0.507SS*.EExtended strand (participates in β ladder)trans-71.5113.2174-61.6171.7000105.7G22 A39G22-I24 PolarHBondContact O-N 2.95Å; I24-A39 HydrophobicContact CG2-CB 3.87Å
25I82.9Confident65.6Low3 Ų394 Ų942%0.01550%0.497CS..EExtended strand (participates in β ladder)trans-97.5137.3177.558.2167000109.6T23 V27 A39 I40 E42 I84 D86T23-I25 HydrophobicContact CG2-CG2 4.37Å; T23-I25 PolarHBondContact O-N 3.03Å; T23-I25 VanDerWaalsContact O-N 3.14Å; I25-V27 HydrophobicContact CD1-CG2 3.73Å; I25-V27 HydrophobicContact CG1-CG2 3.98Å; I25-A39 WeakPolarHBondContact O-CA 3.26Å; I25-I40 HydrophobicContact CG1-CG2 4.13Å; I25-I40 VanDerWaalsContact CG1-O 3.22Å; I25-I40 WeakPolarHBondContact CG1-O 3.13Å; I25-I40 PolarHBondContact N-O 2.83Å; I25-I40 PolarHBondContact O-N 3.24Å; I25-I40 VanDerWaalsContact O-O 3.13Å; I25-E42 HydrophobicContact CG2-CB 4.05Å; I25-E42 HydrophobicContact CG2-CG 4.46Å; I25-I84 HydrophobicContact CD1-CG2 4.14Å; I25-I84 WeakPolarHBondContact CD1-O 3.22Å; I25-D86 HydrophobicContact CB-CB 4.18Å; I25-D86 HydrophobicContact CG2-CB 4.07Å
26K83Confident67.7Low101 Ų10190.4 Ų90.444%0.43948%0.476SS..EExtended strand (participates in β ladder)trans-90.9108.4171.4-68.3172.7163.3-150.80108.9E37 D86 G87K26-E37 HydrophobicContact CB-CG 4.11Å; K26-E37 WeakPolarHBondContact CD-OE1 3.42Å; K26-E37 IonicContact NZ-OE1 2.83Å; K26-E37 PolarHBondContact NZ-OE1 3.06Å; K26-D86 WeakPolarHBondContact CB-OD2 3.49Å; K26-D86 PolarHBondContact N-OD2 3.24Å; K26-G87 PolarHBondContact O-N 3.39Å
27V83.6Confident69.8Low0 Ų087.9 Ų87.90%047%0.467CS..EExtended strand (participates in β ladder)trans-103.6125.9178.4-173.90000108.7I25 I38 I40 F49 I84 V90I25-V27 HydrophobicContact CD1-CG2 3.73Å; I25-V27 HydrophobicContact CG1-CG2 3.98Å; V27-I38 PolarHBondContact N-O 3.28Å; V27-I38 PolarHBondContact O-N 2.79Å; V27-I40 HydrophobicContact CG2-CG2 4.28Å; V27-F49 HydrophobicContact CB-CE2 4.1Å; V27-F49 HydrophobicContact CB-CZ 3.82Å; V27-F49 HydrophobicContact CG1-CE1 4.29Å; V27-F49 HydrophobicContact CG1-CE2 4.4Å; V27-F49 HydrophobicContact CG1-CZ 3.62Å; V27-I84 HydrophobicContact CB-CG2 4.48Å; V27-I84 HydrophobicContact CG1-CG2 3.97Å; V27-I84 HydrophobicContact CG2-CG2 3.6Å; V27-V90 HydrophobicContact CG1-CB 4.26Å; V27-V90 HydrophobicContact CG1-CG2 3.51Å
28T85.5Confident71.8Confident13 Ų1383.3 Ų83.38%0.0844%0.437CS..EExtended strand (participates in β ladder)trans-85.3115.9176-700000109.6K30 K35 E36 L88 T89 V90T28-K30 HydrophobicContact CG2-CG 4.24Å; T28-K35 HydrophobicContact CG2-CD 4.09Å; T28-K35 HydrophobicContact CG2-CG 3.82Å; T28-E36 CarbonylContact C-O 3.56Å; T28-L88 PolarHBondContact N-O 3.24Å; T28-T89 HydrophobicContact CG2-CG2 3.95Å; T28-T89 CarbonylContact O-C 3.54Å; T28-T89 VanDerWaalsContact O-CA 3.23Å; T28-T89 WeakPolarHBondContact O-CA 3.12Å; T28-V90 PolarHBondContact O-N 2.73Å
29V86.6Confident74.1Confident0 Ų077.6 Ų77.60%042%0.421CS..EExtended strand (participates in β ladder)trans-97.9115.6176.6-175.30000109.8K35 E36 I38 F49 I53 F57 V90 L92V29-K35 WeakPolarHBondContact O-CA 3.45Å; V29-E36 PolarHBondContact N-O 3.06Å; V29-E36 PolarHBondContact O-N 3.08Å; V29-I38 HydrophobicContact CB-CD1 4.47Å; V29-I38 HydrophobicContact CG2-CD1 3.88Å; V29-I38 HydrophobicContact CG2-CG1 4.35Å; V29-F49 HydrophobicContact CG2-CE1 4.14Å; V29-F49 HydrophobicContact CG2-CE2 4.22Å; V29-F49 HydrophobicContact CG2-CZ 3.45Å; V29-F49 VanDerWaalsContact CG2-CZ 3.45Å; V29-I53 HydrophobicContact CG1-CD1 4.27Å; V29-I53 HydrophobicContact CG1-CG1 4.49Å; V29-I53 HydrophobicContact CG2-CD1 4.01Å; V29-I53 HydrophobicContact CG2-CG1 4.16Å; V29-F57 HydrophobicContact CB-CE2 4.36Å; V29-F57 HydrophobicContact CG1-CE2 4.15Å; V29-F57 HydrophobicContact CG1-CZ 4.33Å; V29-V90 CarbonylContact C-O 3.29Å; V29-V90 WeakPolarHBondContact CA-O 3.39Å; V29-L92 HydrophobicContact CG1-CB 3.52Å; V29-L92 HydrophobicContact CG1-CD2 3.85Å; V29-L92 HydrophobicContact CG1-CG 4.27Å
30K83.2Confident76.1Confident88 Ų8874 Ų7438%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-102117.9176.6-70.5-179.873.7-170.70110.1T28 K35 V90 H91 L92T28-K30 HydrophobicContact CG2-CG 4.24Å; K30-K35 HydrophobicContact CG-CB 4.48Å; K30-K35 HydrophobicContact CG-CG 4.04Å; K30-V90 PolarHBondContact N-O 2.96Å; K30-H91 CarbonylContact O-C 3.59Å; K30-H91 WeakPolarHBondContact O-CA 3.18Å; K30-L92 PolarHBondContact O-N 2.97Å
31T82.6Confident78.1Confident20 Ų2071.6 Ų71.612%0.12337%0.373CS..  trans-95.1165.716459.10000110.2K33 D34 F57 L92T31-K33 PolarHBondContact O-N 3.12Å; T31-K33 VanDerWaalsContact O-N 3.08Å; T31-D34 WeakPolarHBondContact CA-O 3.29Å; T31-D34 PolarHBondContact N-O 3.46Å; T31-D34 WeakPolarHBondContact OG1-CA 3.41Å; T31-D34 PolarHBondContact OG1-N 2.63Å; T31-D34 PolarHBondContact OG1-O 3.4Å; T31-F57 HydrophobicContact CG2-CD1 3.69Å; T31-F57 HydrophobicContact CG2-CE1 3.37Å; T31-F57 HydrophobicContact CG2-CZ 3.97Å; T31-L92 HydrophobicContact CG2-CB 3.81Å; T31-L92 HydrophobicContact CG2-CD2 3.51Å; T31-L92 HydrophobicContact CG2-CG 3.93Å
32P76.9Confident79.5Confident120 Ų12064.9 Ų64.978%0.77934%0.342SS*.SBendtrans-60.4-13.217222.6-35.4000114.4L92P32-L92 WeakPolarHBondContact CD-O 3.43Å
33K70.4Confident80.5Confident186 Ų18668.1 Ų68.181%0.80936%0.355SS*.SBendtrans-117.3-31-176.2-65.2-173.3175.6-179.50113.7T31T31-K33 PolarHBondContact O-N 3.12Å; T31-K33 VanDerWaalsContact O-N 3.08Å
34D77.8Confident80.9Confident103 Ų10364.2 Ų64.255%0.55133%0.331SS*.  trans-145.3155.5-169.8-67.3-84.4000112.2T31 F57T31-D34 WeakPolarHBondContact CA-O 3.29Å; T31-D34 PolarHBondContact N-O 3.46Å; T31-D34 WeakPolarHBondContact OG1-CA 3.41Å; T31-D34 PolarHBondContact OG1-N 2.63Å; T31-D34 PolarHBondContact OG1-O 3.4Å; D34-F57 HydrophobicContact CB-CE1 4.03Å
35K83.2Confident81.1Confident146 Ų14660 Ų6064%0.63531%0.312SS*.EExtended strand (participates in β ladder)trans-123.3123.7174.1178.1-169.3-178.3-164.80108.3T28 V29 K30T28-K35 HydrophobicContact CG2-CD 4.09Å; T28-K35 HydrophobicContact CG2-CG 3.82Å; V29-K35 WeakPolarHBondContact O-CA 3.45Å; K30-K35 HydrophobicContact CG-CB 4.48Å; K30-K35 HydrophobicContact CG-CG 4.04Å
36E80.8Confident81.1Confident63 Ų6359.9 Ų59.929%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-125.5150172.6-74.6-145.3165.800112T28 V29 R56 F57T28-E36 CarbonylContact C-O 3.56Å; V29-E36 PolarHBondContact N-O 3.06Å; V29-E36 PolarHBondContact O-N 3.08Å; E36-R56 WeakPolarHBondContact OE2-CB 3.3Å; E36-R56 WeakPolarHBondContact OE2-CD 3.25Å; E36-R56 VanDerWaalsContact OE2-CG 3.26Å; E36-R56 WeakPolarHBondContact OE2-CG 2.95Å; E36-F57 HydrophobicContact CB-CE2 3.89Å; E36-F57 HydrophobicContact CB-CZ 3.73Å; E36-F57 HydrophobicContact CG-CE1 4.47Å; E36-F57 HydrophobicContact CG-CE2 4.17Å; E36-F57 HydrophobicContact CG-CZ 3.84Å
37E83.8Confident81.1Confident111 Ų11157.7 Ų57.752%0.51931%0.307SS..EExtended strand (participates in β ladder)trans-101.6124.6172.4-175.4175.4110.800108.8K26K26-E37 HydrophobicContact CB-CG 4.11Å; K26-E37 WeakPolarHBondContact CD-OE1 3.42Å; K26-E37 IonicContact NZ-OE1 2.83Å; K26-E37 PolarHBondContact NZ-OE1 3.06Å
38I83.1Confident81.1Confident7 Ų762.7 Ų62.74%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-117.9125.3-179.3-58.5178.9000108.1V27 V29 F49 E52 I53V27-I38 PolarHBondContact N-O 3.28Å; V27-I38 PolarHBondContact O-N 2.79Å; V29-I38 HydrophobicContact CB-CD1 4.47Å; V29-I38 HydrophobicContact CG2-CD1 3.88Å; V29-I38 HydrophobicContact CG2-CG1 4.35Å; I38-F49 HydrophobicContact CB-CE2 4.01Å; I38-F49 HydrophobicContact CD1-CE2 4.42Å; I38-F49 HydrophobicContact CG2-CD2 4.3Å; I38-F49 HydrophobicContact CG2-CE2 3.93Å; I38-E52 HydrophobicContact CG2-CB 4.09Å; I38-E52 HydrophobicContact CG2-CG 4.02Å; I38-I53 HydrophobicContact CD1-CB 4.15Å; I38-I53 HydrophobicContact CD1-CD1 4.38Å; I38-I53 HydrophobicContact CD1-CG1 3.24Å
39A82.9Confident81.1Confident62 Ų6262.1 Ų62.151%0.51233%0.326SS..EExtended strand (participates in β ladder)trans-88.8120.5173.100000109I24 I25I24-A39 HydrophobicContact CG2-CB 3.87Å; I25-A39 WeakPolarHBondContact O-CA 3.26Å
40I82.9Confident80.9Confident17 Ų1762.7 Ų62.79%0.08733%0.329CS..EExtended strand (participates in β ladder)trans-140.9155178.6-167.2162.2000110.1I25 V27 A44 Q48 F49 L79I25-I40 HydrophobicContact CG1-CG2 4.13Å; I25-I40 VanDerWaalsContact CG1-O 3.22Å; I25-I40 WeakPolarHBondContact CG1-O 3.13Å; I25-I40 PolarHBondContact N-O 2.83Å; I25-I40 PolarHBondContact O-N 3.24Å; I25-I40 VanDerWaalsContact O-O 3.13Å; V27-I40 HydrophobicContact CG2-CG2 4.28Å; I40-A44 HydrophobicContact CD1-CB 3.65Å; I40-A44 HydrophobicContact CG1-CB 3.54Å; I40-Q48 HydrophobicContact CD1-CB 4.4Å; I40-F49 HydrophobicContact CB-CD2 4.24Å; I40-F49 VanDerWaalsContact CD1-CA 3.46Å; I40-F49 HydrophobicContact CD1-CB 3.65Å; I40-F49 HydrophobicContact CD1-CD2 3.71Å; I40-F49 HydrophobicContact CD1-CG 4.12Å; I40-F49 HydrophobicContact CG2-CD2 3.83Å; I40-F49 HydrophobicContact CG2-CE2 4.05Å; I40-L79 HydrophobicContact CD1-CD1 4.11Å; I40-L79 HydrophobicContact CG1-CD1 4.4Å; I40-L79 HydrophobicContact CG2-CD1 3.59Å
41A81.2Confident81Confident32 Ų3262.3 Ų62.326%0.26433%0.329SS..EExtended strand (participates in β ladder)trans-68.1142.4175.400000111.2D43 A44A41-D43 VanDerWaalsContact CB-OD1 3.26Å; A41-D43 WeakPolarHBondContact CB-OD1 3.09Å; A41-D43 PolarHBondContact O-N 3.24Å; A41-A44 HydrophobicContact CB-CB 4.36Å; A41-A44 WeakPolarHBondContact O-CB 3.41Å; A41-A44 PolarHBondContact O-N 2.98Å
42E75.6Confident81Confident63 Ų6365.1 Ų65.129%0.29434%0.34SS..THydrogen-bonded Turntrans-59-32.3-178.8-178.3171.8-168.600113.2T23 I25 S80T23-E42 VanDerWaalsContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact CB-OE2 3.22Å; T23-E42 WeakPolarHBondContact O-CB 3.37Å; T23-E42 PolarHBondContact O-N 2.93Å; T23-E42 PolarHBondContact OG1-OE2 3.14Å; I25-E42 HydrophobicContact CG2-CB 4.05Å; I25-E42 HydrophobicContact CG2-CG 4.46Å; E42-S80 WeakPolarHBondContact CG-OG 3.37Å; E42-S80 PolarHBondContact O-N 3.48Å; E42-S80 PolarHBondContact O-OG 3.4Å
43D74.8Confident81.3Confident90 Ų9059.4 Ų59.448%0.48130%0.303SS..THydrogen-bonded Turntrans-87.5-2.3178.563.5-31.3000113.8A41A41-D43 VanDerWaalsContact CB-OD1 3.26Å; A41-D43 WeakPolarHBondContact CB-OD1 3.09Å; A41-D43 PolarHBondContact O-N 3.24Å
44A79Confident81.8Confident4 Ų451.5 Ų51.53%0.03327%0.271CS..  trans-66.1147.1179.300000112.2I40 A41 L79I40-A44 HydrophobicContact CD1-CB 3.65Å; I40-A44 HydrophobicContact CG1-CB 3.54Å; A41-A44 HydrophobicContact CB-CB 4.36Å; A41-A44 WeakPolarHBondContact O-CB 3.41Å; A41-A44 PolarHBondContact O-N 2.98Å; A44-L79 HydrophobicContact CB-CD1 4.42Å; A44-L79 PolarHBondContact O-N 2.81Å
45S83.9Confident82.1Confident32 Ų3252.2 Ų52.222%0.22427%0.269CS..BIsolated β-bridgetrans-76.4156.5176.361.90000112T47 Q48 F49S45-T47 WeakPolarHBondContact CB-OG1 3.35Å; S45-T47 PolarHBondContact O-N 3.45Å; S45-T47 PolarHBondContact OG-OG1 3.36Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 VanDerWaalsContact O-N 3.1Å; S45-Q48 WeakPolarHBondContact OG-CG 3.33Å; S45-Q48 PolarHBondContact OG-N 3.29Å; S45-F49 PolarHBondContact O-N 2.82Å; S45-F49 VanDerWaalsContact O-N 3.08Å
46V82.9Confident82Confident0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-60-28.4174.7172.90000112F49 K50 L66 L73 K74 D77 L79V46-F49 PolarHBondContact O-N 3.17Å; V46-K50 HydrophobicContact CG1-CD 4.33Å; V46-K50 HydrophobicContact CG1-CG 4.46Å; V46-K50 WeakPolarHBondContact O-CB 3.39Å; V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.05Å; V46-L66 HydrophobicContact CG1-CD1 4.46Å; V46-L73 HydrophobicContact CG1-CB 4.18Å; V46-L73 HydrophobicContact CG2-CB 4.15Å; V46-L73 HydrophobicContact CG2-CD2 3.85Å; V46-L73 HydrophobicContact CG2-CG 4.33Å; V46-K74 VanDerWaalsContact CB-O 3.3Å; V46-K74 WeakPolarHBondContact CB-O 3.44Å; V46-K74 WeakPolarHBondContact CG1-O 3.42Å; V46-D77 WeakPolarHBondContact CG2-O 3.46Å; V46-D77 PolarHBondContact N-O 3.2Å; V46-L79 HydrophobicContact CG2-CD2 4.16Å
47T83.1Confident81.8Confident55 Ų5551.6 Ų51.634%0.33726%0.261SS..Hα-helixtrans-62.2-46.4172.235.10000113S45 F49 K50 E51 D75S45-T47 WeakPolarHBondContact CB-OG1 3.35Å; S45-T47 PolarHBondContact O-N 3.45Å; S45-T47 PolarHBondContact OG-OG1 3.36Å; T47-F49 VanDerWaalsContact C-N 3.32Å; T47-K50 PolarHBondContact O-N 2.72Å; T47-E51 PolarHBondContact O-N 3.1Å; T47-D75 HydrophobicContact CG2-CB 3.62Å; T47-D75 WeakPolarHBondContact CG2-O 3.46Å
48Q83.6Confident81.5Confident105 Ų10555.8 Ų55.849%0.49128%0.278SS..Hα-helixtrans-65.3-39.3176-68.9174.44.500110.8I40 S45 E51 E52I40-Q48 HydrophobicContact CD1-CB 4.4Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 VanDerWaalsContact O-N 3.1Å; S45-Q48 WeakPolarHBondContact OG-CG 3.33Å; S45-Q48 PolarHBondContact OG-N 3.29Å; Q48-E51 WeakPolarHBondContact O-CB 3.45Å; Q48-E51 PolarHBondContact O-N 2.94Å; Q48-E52 PolarHBondContact O-N 3.36Å
49F84.3Confident81.2Confident0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-64.5-42.3175.4-167.4-133000112.9V27 V29 I38 I40 S45 V46 T47 E51 E52 I53 L66 L79 V90V27-F49 HydrophobicContact CB-CE2 4.1Å; V27-F49 HydrophobicContact CB-CZ 3.82Å; V27-F49 HydrophobicContact CG1-CE1 4.29Å; V27-F49 HydrophobicContact CG1-CE2 4.4Å; V27-F49 HydrophobicContact CG1-CZ 3.62Å; V29-F49 HydrophobicContact CG2-CE1 4.14Å; V29-F49 HydrophobicContact CG2-CE2 4.22Å; V29-F49 HydrophobicContact CG2-CZ 3.45Å; V29-F49 VanDerWaalsContact CG2-CZ 3.45Å; I38-F49 HydrophobicContact CB-CE2 4.01Å; I38-F49 HydrophobicContact CD1-CE2 4.42Å; I38-F49 HydrophobicContact CG2-CD2 4.3Å; I38-F49 HydrophobicContact CG2-CE2 3.93Å; I40-F49 HydrophobicContact CB-CD2 4.24Å; I40-F49 VanDerWaalsContact CD1-CA 3.46Å; I40-F49 HydrophobicContact CD1-CB 3.65Å; I40-F49 HydrophobicContact CD1-CD2 3.71Å; I40-F49 HydrophobicContact CD1-CG 4.12Å; I40-F49 HydrophobicContact CG2-CD2 3.83Å; I40-F49 HydrophobicContact CG2-CE2 4.05Å; S45-F49 PolarHBondContact O-N 2.82Å; S45-F49 VanDerWaalsContact O-N 3.08Å; V46-F49 PolarHBondContact O-N 3.17Å; T47-F49 VanDerWaalsContact C-N 3.32Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-E51 PolarHBondContact O-N 3.12Å; F49-E52 PolarHBondContact O-N 3.4Å; F49-I53 HydrophobicContact CD1-CD1 3.68Å; F49-I53 HydrophobicContact CD2-CD1 4.32Å; F49-I53 HydrophobicContact CE1-CD1 3.59Å; F49-I53 HydrophobicContact CE2-CD1 4.24Å; F49-I53 HydrophobicContact CE2-CG1 4.48Å; F49-I53 HydrophobicContact CG-CD1 4.05Å; F49-I53 HydrophobicContact CZ-CD1 3.87Å; F49-I53 HydrophobicContact CZ-CG1 4.49Å; F49-I53 WeakPolarHBondContact O-CB 3.21Å; F49-I53 WeakPolarHBondContact O-CD1 3.4Å; F49-I53 WeakPolarHBondContact O-CG1 3.4Å; F49-I53 PolarHBondContact O-N 2.87Å; F49-L66 HydrophobicContact CD1-CD2 3.25Å; F49-L66 HydrophobicContact CE1-CD2 3.24Å; F49-L66 HydrophobicContact CG-CD2 4.49Å; F49-L66 HydrophobicContact CZ-CD2 4.47Å; F49-L79 HydrophobicContact CB-CD1 4.11Å; F49-L79 HydrophobicContact CB-CD2 4.23Å; F49-L79 HydrophobicContact CD1-CD2 3.73Å; F49-L79 HydrophobicContact CD2-CD1 4.38Å; F49-L79 HydrophobicContact CE1-CD2 4.29Å; F49-L79 HydrophobicContact CG-CD1 4.14Å; F49-L79 HydrophobicContact CG-CD2 4.07Å; F49-V90 HydrophobicContact CE1-CG2 4.44Å
50K82.8Confident80.8Confident12 Ų1260.7 Ų60.75%0.05229%0.29CS..Hα-helixtrans-61.4-37.4172.6-87.3175.2157.2-1600112.4V46 T47 S54 Q61 L64 L66 D75V46-K50 HydrophobicContact CG1-CD 4.33Å; V46-K50 HydrophobicContact CG1-CG 4.46Å; V46-K50 WeakPolarHBondContact O-CB 3.39Å; V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.05Å; T47-K50 PolarHBondContact O-N 2.72Å; K50-S54 WeakPolarHBondContact O-CB 3.44Å; K50-S54 PolarHBondContact O-N 3.45Å; K50-S54 PolarHBondContact O-OG 3.29Å; K50-Q61 HydrophobicContact CB-CG 4.45Å; K50-L64 WeakPolarHBondContact CE-O 3.19Å; K50-L64 HydrophobicContact CG-CB 4.43Å; K50-L64 PolarHBondContact NZ-O 3.34Å; K50-L64 WeakPolarHBondContact O-CD1 3.21Å; K50-L66 HydrophobicContact CD-CD1 4.03Å; K50-L66 HydrophobicContact CG-CD1 3.3Å; K50-D75 WeakPolarHBondContact CD-OD1 3.21Å; K50-D75 VanDerWaalsContact CE-OD1 3.25Å; K50-D75 WeakPolarHBondContact CE-OD1 3.44Å; K50-D75 VanDerWaalsContact NZ-CG 3.33Å; K50-D75 IonicContact NZ-OD1 2.76Å; K50-D75 PolarHBondContact NZ-OD1 2.89Å; K50-D75 IonicContact NZ-OD2 3.82Å; K50-D75 PolarHBondContact NZ-OD2 2.94Å; K50-D75 VanDerWaalsContact NZ-OD2 3.12Å
51E85.1Confident80.7Confident81 Ų8163.5 Ų63.538%0.37930%0.303SS..Hα-helixtrans-62.1-47.5174.8-172.4-179.9156.200111T47 Q48 F49 I53 S54 K55 Q61T47-E51 PolarHBondContact O-N 3.1Å; Q48-E51 WeakPolarHBondContact O-CB 3.45Å; Q48-E51 PolarHBondContact O-N 2.94Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-E51 PolarHBondContact O-N 3.12Å; E51-I53 VanDerWaalsContact C-N 3.34Å; E51-I53 PolarHBondContact O-N 3.19Å; E51-S54 WeakPolarHBondContact CA-OG 3.44Å; E51-S54 PolarHBondContact O-N 2.76Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-S54 PolarHBondContact O-OG 3.47Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.25Å; E51-K55 VanDerWaalsContact OE1-CE 3.29Å; E51-K55 WeakPolarHBondContact OE1-CE 3.35Å; E51-K55 IonicContact OE1-NZ 3.12Å; E51-K55 PolarHBondContact OE1-NZ 3.44Å; E51-Q61 VanDerWaalsContact CA-NE2 3.34Å; E51-Q61 VanDerWaalsContact CB-NE2 3.26Å; E51-Q61 VanDerWaalsContact CG-NE2 3.33Å
52E82.4Confident80.6Confident78 Ų7868.9 Ų68.936%0.36433%0.327SS..Hα-helixtrans-65.4-39.3-179.7-136.562.4-175.300111.9I38 Q48 F49 K55 R56I38-E52 HydrophobicContact CG2-CB 4.09Å; I38-E52 HydrophobicContact CG2-CG 4.02Å; Q48-E52 PolarHBondContact O-N 3.36Å; F49-E52 PolarHBondContact O-N 3.4Å; E52-K55 PolarHBondContact O-N 2.82Å; E52-K55 IonicContact OE2-NZ 2.74Å; E52-K55 PolarHBondContact OE2-NZ 3.17Å; E52-K55 VanDerWaalsContact OE2-NZ 3.12Å; E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.46Å
53I83.3Confident80.8Confident0 Ų067.6 Ų67.60%032%0.321CS..Hα-helixtrans-63.6-42.9170.9-69.3165.6000111.4V29 I38 F49 E51 K55 R56 F57 L64 L66 L92V29-I53 HydrophobicContact CG1-CD1 4.27Å; V29-I53 HydrophobicContact CG1-CG1 4.49Å; V29-I53 HydrophobicContact CG2-CD1 4.01Å; V29-I53 HydrophobicContact CG2-CG1 4.16Å; I38-I53 HydrophobicContact CD1-CB 4.15Å; I38-I53 HydrophobicContact CD1-CD1 4.38Å; I38-I53 HydrophobicContact CD1-CG1 3.24Å; F49-I53 HydrophobicContact CD1-CD1 3.68Å; F49-I53 HydrophobicContact CD2-CD1 4.32Å; F49-I53 HydrophobicContact CE1-CD1 3.59Å; F49-I53 HydrophobicContact CE2-CD1 4.24Å; F49-I53 HydrophobicContact CE2-CG1 4.48Å; F49-I53 HydrophobicContact CG-CD1 4.05Å; F49-I53 HydrophobicContact CZ-CD1 3.87Å; F49-I53 HydrophobicContact CZ-CG1 4.49Å; F49-I53 WeakPolarHBondContact O-CB 3.21Å; F49-I53 WeakPolarHBondContact O-CD1 3.4Å; F49-I53 WeakPolarHBondContact O-CG1 3.4Å; F49-I53 PolarHBondContact O-N 2.87Å; E51-I53 VanDerWaalsContact C-N 3.34Å; E51-I53 PolarHBondContact O-N 3.19Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 2.92Å; I53-R56 PolarHBondContact O-N 3.27Å; I53-F57 HydrophobicContact CG2-CD2 3.69Å; I53-F57 HydrophobicContact CG2-CE2 4.29Å; I53-F57 HydrophobicContact CG2-CG 4.43Å; I53-F57 WeakPolarHBondContact O-CB 3.49Å; I53-F57 WeakPolarHBondContact O-CD2 3.19Å; I53-F57 PolarHBondContact O-N 2.78Å; I53-L64 HydrophobicContact CB-CD1 4.27Å; I53-L64 HydrophobicContact CG2-CD1 3.82Å; I53-L64 HydrophobicContact CG2-CD2 4.1Å; I53-L66 HydrophobicContact CD1-CD1 4.4Å; I53-L66 HydrophobicContact CD1-CD2 3.48Å; I53-L66 VanDerWaalsContact CD1-CD2 3.48Å; I53-L66 HydrophobicContact CD1-CG 4.22Å; I53-L92 HydrophobicContact CG2-CD1 4.05Å; I53-L92 HydrophobicContact CG2-CD2 3.22Å; I53-L92 HydrophobicContact CG2-CG 4.28Å
54S82Confident81.2Confident20 Ų2063.4 Ų63.414%0.1430%0.299CS..Hα-helixtrans-62.7-35.3-178.8710000112.3K50 E51 K58 A59K50-S54 WeakPolarHBondContact O-CB 3.44Å; K50-S54 PolarHBondContact O-N 3.45Å; K50-S54 PolarHBondContact O-OG 3.29Å; E51-S54 WeakPolarHBondContact CA-OG 3.44Å; E51-S54 PolarHBondContact O-N 2.76Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-S54 PolarHBondContact O-OG 3.47Å; S54-K58 VanDerWaalsContact O-CA 3.29Å; S54-K58 WeakPolarHBondContact O-CA 3.21Å; S54-K58 PolarHBondContact O-N 3.34Å; S54-A59 WeakPolarHBondContact CA-O 3.2Å; S54-A59 WeakPolarHBondContact CB-O 3.44Å; S54-A59 PolarHBondContact O-N 3.45Å
55K84.1Confident81.4Confident118 Ų11864.2 Ų64.251%0.51330%0.304SS..Hα-helixtrans-67.6-43.3174.3-69.8169.8-171.2154.50111.5E51 E52 I53E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.25Å; E51-K55 VanDerWaalsContact OE1-CE 3.29Å; E51-K55 WeakPolarHBondContact OE1-CE 3.35Å; E51-K55 IonicContact OE1-NZ 3.12Å; E51-K55 PolarHBondContact OE1-NZ 3.44Å; E52-K55 PolarHBondContact O-N 2.82Å; E52-K55 IonicContact OE2-NZ 2.74Å; E52-K55 PolarHBondContact OE2-NZ 3.17Å; E52-K55 VanDerWaalsContact OE2-NZ 3.12Å; I53-K55 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 2.92Å
56R80.8Confident81.4Confident161 Ų16162.7 Ų62.761%0.60829%0.293SS*.Hα-helixtrans-71.7-47.3-179.4-73.3-60.3-178.2162-3.5113.5E36 E52 I53E36-R56 WeakPolarHBondContact OE2-CB 3.3Å; E36-R56 WeakPolarHBondContact OE2-CD 3.25Å; E36-R56 VanDerWaalsContact OE2-CG 3.26Å; E36-R56 WeakPolarHBondContact OE2-CG 2.95Å; E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.46Å; I53-R56 PolarHBondContact O-N 3.27Å
57F76.9Confident81.6Confident35 Ų3565.2 Ų65.215%0.15431%0.306CS..Hα-helixtrans-93.11.3-175.3-70.9-91.1000114.1V29 T31 D34 E36 I53 A59 L92V29-F57 HydrophobicContact CB-CE2 4.36Å; V29-F57 HydrophobicContact CG1-CE2 4.15Å; V29-F57 HydrophobicContact CG1-CZ 4.33Å; T31-F57 HydrophobicContact CG2-CD1 3.69Å; T31-F57 HydrophobicContact CG2-CE1 3.37Å; T31-F57 HydrophobicContact CG2-CZ 3.97Å; D34-F57 HydrophobicContact CB-CE1 4.03Å; E36-F57 HydrophobicContact CB-CE2 3.89Å; E36-F57 HydrophobicContact CB-CZ 3.73Å; E36-F57 HydrophobicContact CG-CE1 4.47Å; E36-F57 HydrophobicContact CG-CE2 4.17Å; E36-F57 HydrophobicContact CG-CZ 3.84Å; I53-F57 HydrophobicContact CG2-CD2 3.69Å; I53-F57 HydrophobicContact CG2-CE2 4.29Å; I53-F57 HydrophobicContact CG2-CG 4.43Å; I53-F57 WeakPolarHBondContact O-CB 3.49Å; I53-F57 WeakPolarHBondContact O-CD2 3.19Å; I53-F57 PolarHBondContact O-N 2.78Å; F57-A59 VanDerWaalsContact C-N 3.25Å; F57-A59 PolarHBondContact O-N 3.05Å; F57-L92 HydrophobicContact CD2-CD2 4.1Å; F57-L92 HydrophobicContact CE2-CD2 4.31Å; F57-L92 HydrophobicContact CG-CD2 4.2Å
58K77.8Confident81.6Confident200 Ų20064 Ų6487%0.8730%0.296SS*.THydrogen-bonded Turntrans52.437.1179.8-63.6177.3175.2173.20114.1S54S54-K58 VanDerWaalsContact O-CA 3.29Å; S54-K58 WeakPolarHBondContact O-CA 3.21Å; S54-K58 PolarHBondContact O-N 3.34Å
59A75.4Confident81.2Confident15 Ų1563.2 Ų63.212%0.12431%0.308CS..  trans-124144.6-177.900000110.6S54 F57 L64 I94S54-A59 WeakPolarHBondContact CA-O 3.2Å; S54-A59 WeakPolarHBondContact CB-O 3.44Å; S54-A59 PolarHBondContact O-N 3.45Å; F57-A59 VanDerWaalsContact C-N 3.25Å; F57-A59 PolarHBondContact O-N 3.05Å; A59-L64 HydrophobicContact CB-CD2 3.89Å; A59-I94 HydrophobicContact CB-CD1 4.13Å; A59-I94 HydrophobicContact CB-CG1 4.49Å; A59-I94 HydrophobicContact CB-CG2 4.13Å
60K75.9Confident80.8Confident156 Ų15666.7 Ų66.768%0.67834%0.343SS*.  trans-64.5139.8-178.6-61.3-178.5177.4175.60110.8D62 Q63 L64K60-D62 PolarHBondContact O-N 3.35Å; K60-D62 VanDerWaalsContact O-N 3.09Å; K60-Q63 HydrophobicContact CB-CG 4.45Å; K60-Q63 WeakPolarHBondContact O-CB 3.26Å; K60-Q63 PolarHBondContact O-N 2.62Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 3.09Å
61Q79.9Confident80.6Confident77 Ų7772.8 Ų72.836%0.3637%0.37SS..G310 helixtrans-51.6-35178.2-64.7177.25.300114K50 E51 Q63 L64K50-Q61 HydrophobicContact CB-CG 4.45Å; E51-Q61 VanDerWaalsContact CA-NE2 3.34Å; E51-Q61 VanDerWaalsContact CB-NE2 3.26Å; E51-Q61 VanDerWaalsContact CG-NE2 3.33Å; Q61-Q63 VanDerWaalsContact C-N 3.27Å; Q61-Q63 PolarHBondContact O-N 3.11Å; Q61-L64 PolarHBondContact O-N 3.47Å
62D78.8Confident80.5Confident145 Ų14574.1 Ų74.178%0.77538%0.379SS*.G310 helixtrans-65.8-28.4178.1-165.3-108.2000113.4K60K60-D62 PolarHBondContact O-N 3.35Å; K60-D62 VanDerWaalsContact O-N 3.09Å
63Q80.8Confident80.4Confident36 Ų3670.6 Ų70.617%0.16836%0.362CS..G310 helixtrans-87.3-13.6178.7-68.3179.398.800112.3K60 Q61 I94 K95 A97K60-Q63 HydrophobicContact CB-CG 4.45Å; K60-Q63 WeakPolarHBondContact O-CB 3.26Å; K60-Q63 PolarHBondContact O-N 2.62Å; Q61-Q63 VanDerWaalsContact C-N 3.27Å; Q61-Q63 PolarHBondContact O-N 3.11Å; Q63-I94 HydrophobicContact CB-CG2 4.26Å; Q63-I94 CarbonylContact O-C 3.51Å; Q63-I94 WeakPolarHBondContact O-CA 3.39Å; Q63-K95 WeakPolarHBondContact CB-O 3.2Å; Q63-K95 WeakPolarHBondContact CG-O 3.43Å; Q63-K95 PolarHBondContact O-N 3.01Å; Q63-K95 PolarHBondContact OE1-O 3.37Å; Q63-A97 HydrophobicContact CG-CB 4.33Å
64L82.3Confident80.3Confident1 Ų177.4 Ų77.41%0.00539%0.392CS..EExtended strand (participates in β ladder)trans-84.6118.7-177.1-62.2174.9000109.9K50 I53 A59 K60 Q61 L92 I94K50-L64 WeakPolarHBondContact CE-O 3.19Å; K50-L64 HydrophobicContact CG-CB 4.43Å; K50-L64 PolarHBondContact NZ-O 3.34Å; K50-L64 WeakPolarHBondContact O-CD1 3.21Å; I53-L64 HydrophobicContact CB-CD1 4.27Å; I53-L64 HydrophobicContact CG2-CD1 3.82Å; I53-L64 HydrophobicContact CG2-CD2 4.1Å; A59-L64 HydrophobicContact CB-CD2 3.89Å; K60-L64 WeakPolarHBondContact O-CG 3.4Å; K60-L64 PolarHBondContact O-N 3.09Å; Q61-L64 PolarHBondContact O-N 3.47Å; L64-L92 HydrophobicContact CB-CD1 3.97Å; L64-L92 HydrophobicContact CD2-CD1 3.86Å; L64-L92 HydrophobicContact CD2-CD2 3.96Å; L64-L92 HydrophobicContact CD2-CG 4.21Å; L64-L92 HydrophobicContact CG-CD1 4.45Å; L64-I94 HydrophobicContact CD2-CG1 4.03Å
65V84.2Confident80Confident22 Ų2280 Ų8013%0.13340%0.404CS..EExtended strand (participates in β ladder)trans-115.7117172-176.80000108.7I67 I72 V93 K95V65-I67 HydrophobicContact CG1-CG1 4.4Å; V65-I72 HydrophobicContact CG1-CG1 4.38Å; V65-I72 HydrophobicContact CG1-CG2 3.58Å; V65-V93 HydrophobicContact CB-CB 4.42Å; V65-V93 PolarHBondContact N-O 3.3Å; V65-V93 PolarHBondContact O-N 3.28Å; V65-K95 HydrophobicContact CG2-CD 3.78Å; V65-K95 HydrophobicContact CG2-CG 4.15Å
66L83.8Confident79.5Confident0 Ų078.1 Ų78.10%042%0.418CS..EExtended strand (participates in β ladder)trans-93.9135177.5-68.795.5000110.4V46 F49 K50 I53 I72 L73 V90 H91 L92V46-L66 HydrophobicContact CG1-CD1 4.46Å; F49-L66 HydrophobicContact CD1-CD2 3.25Å; F49-L66 HydrophobicContact CE1-CD2 3.24Å; F49-L66 HydrophobicContact CG-CD2 4.49Å; F49-L66 HydrophobicContact CZ-CD2 4.47Å; K50-L66 HydrophobicContact CD-CD1 4.03Å; K50-L66 HydrophobicContact CG-CD1 3.3Å; I53-L66 HydrophobicContact CD1-CD1 4.4Å; I53-L66 HydrophobicContact CD1-CD2 3.48Å; I53-L66 VanDerWaalsContact CD1-CD2 3.48Å; I53-L66 HydrophobicContact CD1-CG 4.22Å; L66-I72 WeakPolarHBondContact O-CA 3.36Å; L66-L73 HydrophobicContact CB-CB 4.17Å; L66-L73 PolarHBondContact O-N 3.18Å; L66-V90 HydrophobicContact CB-CG1 3.92Å; L66-V90 HydrophobicContact CD2-CG1 3.74Å; L66-V90 HydrophobicContact CG-CG1 4.26Å; L66-H91 CarbonylContact C-O 3.52Å; L66-L92 HydrophobicContact CD1-CD1 4.24Å; L66-L92 HydrophobicContact CG-CD1 3.96Å
67I86.1Confident79.2Confident52 Ų5273.2 Ų73.227%0.26740%0.404SS..EExtended strand (participates in β ladder)trans-126.8117.7-178.4-53.6174.2000107.7V65 K71 I72 H91 V93V65-I67 HydrophobicContact CG1-CG1 4.4Å; I67-K71 WeakPolarHBondContact CA-O 3.23Å; I67-I72 HydrophobicContact CG1-CG1 4.3Å; I67-H91 HydrophobicContact CB-CB 4.29Å; I67-H91 PolarHBondContact N-O 2.82Å; I67-H91 PolarHBondContact O-N 3.09Å; I67-V93 HydrophobicContact CD1-CG2 3.7Å
68F82.8Confident79.4Confident29 Ų2972.8 Ų72.813%0.12741%0.405CS..EExtended strand (participates in β ladder)trans-129.5130.4176.9-177.1-106.8000109.6G70 K71 L73 H82 I84 L88 T89 V90F68-G70 PolarHBondContact O-N 2.74Å; F68-G70 VanDerWaalsContact O-N 3.1Å; F68-K71 PolarHBondContact N-O 3.12Å; F68-K71 PolarHBondContact O-N 3.21Å; F68-L73 HydrophobicContact CB-CD1 3.6Å; F68-H82 HydrophobicContact CD1-CB 4.47Å; F68-H82 WeakPolarHBondContact CD1-O 3.36Å; F68-H82 VanDerWaalsContact CE1-O 3.24Å; F68-H82 WeakPolarHBondContact CE1-O 3.47Å; F68-I84 HydrophobicContact CB-CD1 4.32Å; F68-I84 HydrophobicContact CD1-CD1 4.3Å; F68-I84 HydrophobicContact CD1-CG1 3.66Å; F68-I84 HydrophobicContact CD2-CG1 4.19Å; F68-I84 HydrophobicContact CE1-CG1 3.85Å; F68-I84 HydrophobicContact CE2-CG1 4.38Å; F68-I84 HydrophobicContact CG-CD1 4.15Å; F68-I84 HydrophobicContact CG-CG1 3.85Å; F68-I84 HydrophobicContact CZ-CG1 4.22Å; F68-L88 HydrophobicContact CE2-CB 3.94Å; F68-L88 HydrophobicContact CE2-CD1 4.14Å; F68-L88 HydrophobicContact CZ-CB 4.27Å; F68-L88 HydrophobicContact CZ-CD1 3.58Å; F68-L88 HydrophobicContact CZ-CG 4.49Å; F68-T89 WeakPolarHBondContact CD2-O 3.42Å; F68-V90 HydrophobicContact CB-CG1 4.46Å; F68-V90 HydrophobicContact CB-CG2 4.34Å; F68-V90 HydrophobicContact CD2-CG2 3.82Å; F68-V90 HydrophobicContact CG-CG2 4.35Å
69A76Confident79.3Confident90 Ų9063.3 Ų63.374%0.74436%0.364SS*.THydrogen-bonded Turntrans48.737.2-178.100000114.4K71A69-K71 VanDerWaalsContact C-N 3.27Å; A69-K71 PolarHBondContact O-N 3.14Å
70G75Confident79Confident73 Ų7365 Ų6575%0.75338%0.375SS*.THydrogen-bonded Turntrans78.11.5-179.200000115.5F68F68-G70 PolarHBondContact O-N 2.74Å; F68-G70 VanDerWaalsContact O-N 3.1Å
71K78.9Confident79Confident139 Ų13964.2 Ų64.260%0.60437%0.374SS*.EExtended strand (participates in β ladder)trans-106138.5175-65.8-179-179.3176.30110.7I67 F68 A69I67-K71 WeakPolarHBondContact CA-O 3.23Å; F68-K71 PolarHBondContact N-O 3.12Å; F68-K71 PolarHBondContact O-N 3.21Å; A69-K71 VanDerWaalsContact C-N 3.27Å; A69-K71 PolarHBondContact O-N 3.14Å
72I84.6Confident78.4Confident110 Ų11063 Ų6356%0.56437%0.368SS*.EExtended strand (participates in β ladder)trans-79.3121.8171.7-62.3167.6000107.9V65 L66 I67V65-I72 HydrophobicContact CG1-CG1 4.38Å; V65-I72 HydrophobicContact CG1-CG2 3.58Å; L66-I72 WeakPolarHBondContact O-CA 3.36Å; I67-I72 HydrophobicContact CG1-CG1 4.3Å
73L80.3Confident78Confident4 Ų457.6 Ų57.62%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-79.1127.6176.2-90.168.1000109.7V46 L66 F68 L79 H82 I84V46-L73 HydrophobicContact CG1-CB 4.18Å; V46-L73 HydrophobicContact CG2-CB 4.15Å; V46-L73 HydrophobicContact CG2-CD2 3.85Å; V46-L73 HydrophobicContact CG2-CG 4.33Å; L66-L73 HydrophobicContact CB-CB 4.17Å; L66-L73 PolarHBondContact O-N 3.18Å; F68-L73 HydrophobicContact CB-CD1 3.6Å; L73-L79 HydrophobicContact CD2-CD2 4.36Å; L73-H82 HydrophobicContact CD1-CB 4.34Å; L73-H82 HydrophobicContact CD2-CB 4.26Å; L73-H82 HydrophobicContact CG-CB 4.39Å; L73-I84 HydrophobicContact CD2-CD1 3.31Å
74K80.1Confident77.8Confident143 Ų14356 Ų5662%0.62234%0.339SS*.PPolyproline II helixtrans-95.4157.7177.3-66.2-176.6-179.1179.20110.5V46 G76 D77V46-K74 VanDerWaalsContact CB-O 3.3Å; V46-K74 WeakPolarHBondContact CB-O 3.44Å; V46-K74 WeakPolarHBondContact CG1-O 3.42Å; K74-G76 PolarHBondContact O-N 2.9Å; K74-G76 VanDerWaalsContact O-N 3.12Å; K74-D77 PolarHBondContact O-N 2.73Å; K74-D77 VanDerWaalsContact O-N 3.17Å
75D76.4Confident77.3Confident75 Ų7562.2 Ų62.240%0.40137%0.366SS..THydrogen-bonded Turntrans-59.1-22.8-178.7-64.2-63.3000114.2T47 K50T47-D75 HydrophobicContact CG2-CB 3.62Å; T47-D75 WeakPolarHBondContact CG2-O 3.46Å; K50-D75 WeakPolarHBondContact CD-OD1 3.21Å; K50-D75 VanDerWaalsContact CE-OD1 3.25Å; K50-D75 WeakPolarHBondContact CE-OD1 3.44Å; K50-D75 VanDerWaalsContact NZ-CG 3.33Å; K50-D75 IonicContact NZ-OD1 2.76Å; K50-D75 PolarHBondContact NZ-OD1 2.89Å; K50-D75 IonicContact NZ-OD2 3.82Å; K50-D75 PolarHBondContact NZ-OD2 2.94Å; K50-D75 VanDerWaalsContact NZ-OD2 3.12Å
76G72.1Confident77Confident78 Ų7865.7 Ų65.780%0.80438%0.384SS*.THydrogen-bonded Turntrans-88.8-9.1-179.500000115.5K74K74-G76 PolarHBondContact O-N 2.9Å; K74-G76 VanDerWaalsContact O-N 3.12Å
77D74.3Confident76.6Confident58 Ų5868.1 Ų68.131%0.3141%0.409SS..SBendtrans-92.3156.1-179.2-73-73.6000111.4V46 K74 H82V46-D77 WeakPolarHBondContact CG2-O 3.46Å; V46-D77 PolarHBondContact N-O 3.2Å; K74-D77 PolarHBondContact O-N 2.73Å; K74-D77 VanDerWaalsContact O-N 3.17Å; D77-H82 IonicContact OD1-NE2 3.81Å; D77-H82 IonicContact OD2-NE2 3.29Å
78S81.7Confident76.5Confident26 Ų2668.6 Ų68.618%0.18241%0.412CS..BIsolated β-bridgetrans-93.6150.2171.959.70000111.2S80 Q81S78-S80 PolarHBondContact O-N 3.18Å; S78-Q81 PolarHBondContact O-N 3.23Å; S78-Q81 WeakPolarHBondContact OG-CB 3.29Å; S78-Q81 WeakPolarHBondContact OG-CG 3.05Å; S78-Q81 PolarHBondContact OG-N 3.01Å; S78-Q81 PolarHBondContact OG-OE1 3.22Å
79L76.6Confident76.5Confident0 Ų070.3 Ų70.30%043%0.425CS..THydrogen-bonded Turntrans-60.2-39177.5-65.5171.7000111.4I40 A44 V46 F49 L73 Q81 H82 G83 I84I40-L79 HydrophobicContact CD1-CD1 4.11Å; I40-L79 HydrophobicContact CG1-CD1 4.4Å; I40-L79 HydrophobicContact CG2-CD1 3.59Å; A44-L79 HydrophobicContact CB-CD1 4.42Å; A44-L79 PolarHBondContact O-N 2.81Å; V46-L79 HydrophobicContact CG2-CD2 4.16Å; F49-L79 HydrophobicContact CB-CD1 4.11Å; F49-L79 HydrophobicContact CB-CD2 4.23Å; F49-L79 HydrophobicContact CD1-CD2 3.73Å; F49-L79 HydrophobicContact CD2-CD1 4.38Å; F49-L79 HydrophobicContact CE1-CD2 4.29Å; F49-L79 HydrophobicContact CG-CD1 4.14Å; F49-L79 HydrophobicContact CG-CD2 4.07Å; L73-L79 HydrophobicContact CD2-CD2 4.36Å; L79-Q81 PolarHBondContact O-N 2.95Å; L79-H82 PolarHBondContact O-N 3.42Å; L79-G83 PolarHBondContact O-N 2.89Å; L79-I84 HydrophobicContact CB-CB 4.21Å; L79-I84 HydrophobicContact CB-CD1 4.43Å; L79-I84 HydrophobicContact CD2-CD1 3.53Å; L79-I84 WeakPolarHBondContact O-CB 3.42Å; L79-I84 PolarHBondContact O-N 3.09Å; L79-I84 VanDerWaalsContact O-N 3.09Å
80S69.4Low77Confident52 Ų5266 Ų6636%0.36439%0.39SS..THydrogen-bonded Turntrans-55.5-46.1173.7-76.90000113.9E42 S78 H82 G83E42-S80 WeakPolarHBondContact CG-OG 3.37Å; E42-S80 PolarHBondContact O-N 3.48Å; E42-S80 PolarHBondContact O-OG 3.4Å; S78-S80 PolarHBondContact O-N 3.18Å; S80-H82 PolarHBondContact O-N 2.82Å; S80-G83 PolarHBondContact O-N 3.39Å
81Q74.1Confident77.6Confident139 Ų13966.9 Ų66.965%0.6537%0.374SS*.THydrogen-bonded Turntrans-63.2-30.3-177.6-82.5163.8-25.800113.1S78 L79 G83S78-Q81 PolarHBondContact O-N 3.23Å; S78-Q81 WeakPolarHBondContact OG-CB 3.29Å; S78-Q81 WeakPolarHBondContact OG-CG 3.05Å; S78-Q81 PolarHBondContact OG-N 3.01Å; S78-Q81 PolarHBondContact OG-OE1 3.22Å; L79-Q81 PolarHBondContact O-N 2.95Å; Q81-G83 VanDerWaalsContact C-N 3.3Å
82H68.6Low77.7Confident50 Ų5060.3 Ų60.323%0.23135%0.345CS..THydrogen-bonded Turntrans-86.61176.5-79.5-75.7000113.6F68 L73 D77 L79 S80 I84F68-H82 HydrophobicContact CD1-CB 4.47Å; F68-H82 WeakPolarHBondContact CD1-O 3.36Å; F68-H82 VanDerWaalsContact CE1-O 3.24Å; F68-H82 WeakPolarHBondContact CE1-O 3.47Å; L73-H82 HydrophobicContact CD1-CB 4.34Å; L73-H82 HydrophobicContact CD2-CB 4.26Å; L73-H82 HydrophobicContact CG-CB 4.39Å; D77-H82 IonicContact OD1-NE2 3.81Å; D77-H82 IonicContact OD2-NE2 3.29Å; L79-H82 PolarHBondContact O-N 3.42Å; S80-H82 PolarHBondContact O-N 2.82Å; H82-I84 HydrophobicContact CB-CG1 4.37Å
83G70.6Confident77.7Confident33 Ų3358.1 Ų58.134%0.3434%0.337SS..THydrogen-bonded Turntrans7326.9-179.400000113.2L79 S80 Q81 K85 L88L79-G83 PolarHBondContact O-N 2.89Å; S80-G83 PolarHBondContact O-N 3.39Å; Q81-G83 VanDerWaalsContact C-N 3.3Å; G83-K85 PolarHBondContact O-N 2.91Å; G83-L88 WeakPolarHBondContact O-CD1 3.39Å
84I76.3Confident77.8Confident1 Ų161.1 Ų61.11%0.00535%0.353CS..  trans-75.9109.6174.5-61.9175.8000107.9I25 V27 F68 L73 L79 H82 V90I25-I84 HydrophobicContact CD1-CG2 4.14Å; I25-I84 WeakPolarHBondContact CD1-O 3.22Å; V27-I84 HydrophobicContact CB-CG2 4.48Å; V27-I84 HydrophobicContact CG1-CG2 3.97Å; V27-I84 HydrophobicContact CG2-CG2 3.6Å; F68-I84 HydrophobicContact CB-CD1 4.32Å; F68-I84 HydrophobicContact CD1-CD1 4.3Å; F68-I84 HydrophobicContact CD1-CG1 3.66Å; F68-I84 HydrophobicContact CD2-CG1 4.19Å; F68-I84 HydrophobicContact CE1-CG1 3.85Å; F68-I84 HydrophobicContact CE2-CG1 4.38Å; F68-I84 HydrophobicContact CG-CD1 4.15Å; F68-I84 HydrophobicContact CG-CG1 3.85Å; F68-I84 HydrophobicContact CZ-CG1 4.22Å; L73-I84 HydrophobicContact CD2-CD1 3.31Å; L79-I84 HydrophobicContact CB-CB 4.21Å; L79-I84 HydrophobicContact CB-CD1 4.43Å; L79-I84 HydrophobicContact CD2-CD1 3.53Å; L79-I84 WeakPolarHBondContact O-CB 3.42Å; L79-I84 PolarHBondContact O-N 3.09Å; L79-I84 VanDerWaalsContact O-N 3.09Å; H82-I84 HydrophobicContact CB-CG1 4.37Å; I84-V90 HydrophobicContact CD1-CG2 3.93Å; I84-V90 HydrophobicContact CG1-CG2 4.46Å; I84-V90 HydrophobicContact CG2-CG2 4.46Å
85K71.9Confident77.8Confident132 Ų13260.7 Ų60.757%0.57435%0.351SS*.  trans-111.5169.3178.2-61-176.6175.7-175.40110.7G83 G87 L88G83-K85 PolarHBondContact O-N 2.91Å; K85-G87 PolarHBondContact O-N 3.08Å; K85-L88 HydrophobicContact CB-CD1 3.92Å; K85-L88 HydrophobicContact CB-CG 4.25Å; K85-L88 HydrophobicContact CG-CD1 4.44Å; K85-L88 VanDerWaalsContact N-CD1 3.29Å; K85-L88 WeakPolarHBondContact O-CB 3.4Å; K85-L88 WeakPolarHBondContact O-CG 3.03Å; K85-L88 PolarHBondContact O-N 3.1Å; K85-L88 VanDerWaalsContact O-N 3.17Å
86D77.8Confident77.2Confident95 Ų9562.4 Ų62.451%0.50836%0.364SS..THydrogen-bonded Turntrans-50.6131.8171.4-172.5-105.5000111.5I25 K26 L88I25-D86 HydrophobicContact CB-CB 4.18Å; I25-D86 HydrophobicContact CG2-CB 4.07Å; K26-D86 WeakPolarHBondContact CB-OD2 3.49Å; K26-D86 PolarHBondContact N-OD2 3.24Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 2.88Å
87G75.3Confident76.3Confident51 Ų5162.1 Ų62.153%0.52635%0.354SS..THydrogen-bonded Turntrans82.40.2179.100000115.5K26 K85K26-G87 PolarHBondContact O-N 3.39Å; K85-G87 PolarHBondContact O-N 3.08Å
88L83.3Confident74.6Confident63 Ų6367.9 Ų67.933%0.3338%0.379SS..  trans-82.3152.3178.4-62.4-173.7000112.9T28 F68 G83 K85 D86T28-L88 PolarHBondContact N-O 3.24Å; F68-L88 HydrophobicContact CE2-CB 3.94Å; F68-L88 HydrophobicContact CE2-CD1 4.14Å; F68-L88 HydrophobicContact CZ-CB 4.27Å; F68-L88 HydrophobicContact CZ-CD1 3.58Å; F68-L88 HydrophobicContact CZ-CG 4.49Å; G83-L88 WeakPolarHBondContact O-CD1 3.39Å; K85-L88 HydrophobicContact CB-CD1 3.92Å; K85-L88 HydrophobicContact CB-CG 4.25Å; K85-L88 HydrophobicContact CG-CD1 4.44Å; K85-L88 VanDerWaalsContact N-CD1 3.29Å; K85-L88 WeakPolarHBondContact O-CB 3.4Å; K85-L88 WeakPolarHBondContact O-CG 3.03Å; K85-L88 PolarHBondContact O-N 3.1Å; K85-L88 VanDerWaalsContact O-N 3.17Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 2.88Å
89T83.6Confident72.3Confident65 Ų6575.8 Ų75.840%0.39941%0.41SS..EExtended strand (participates in β ladder)trans-102.9124.1-17860.20000111.8T28 F68T28-T89 HydrophobicContact CG2-CG2 3.95Å; T28-T89 CarbonylContact O-C 3.54Å; T28-T89 VanDerWaalsContact O-CA 3.23Å; T28-T89 WeakPolarHBondContact O-CA 3.12Å; F68-T89 WeakPolarHBondContact CD2-O 3.42Å
90V86.6Confident70.5Confident0 Ų080.4 Ų80.40%045%0.448CS..EExtended strand (participates in β ladder)trans-106.5132172.5-178.10000108.8V27 T28 V29 K30 F49 L66 F68 I84V27-V90 HydrophobicContact CG1-CB 4.26Å; V27-V90 HydrophobicContact CG1-CG2 3.51Å; T28-V90 PolarHBondContact O-N 2.73Å; V29-V90 CarbonylContact C-O 3.29Å; V29-V90 WeakPolarHBondContact CA-O 3.39Å; K30-V90 PolarHBondContact N-O 2.96Å; F49-V90 HydrophobicContact CE1-CG2 4.44Å; L66-V90 HydrophobicContact CB-CG1 3.92Å; L66-V90 HydrophobicContact CD2-CG1 3.74Å; L66-V90 HydrophobicContact CG-CG1 4.26Å; F68-V90 HydrophobicContact CB-CG1 4.46Å; F68-V90 HydrophobicContact CB-CG2 4.34Å; F68-V90 HydrophobicContact CD2-CG2 3.82Å; F68-V90 HydrophobicContact CG-CG2 4.35Å; I84-V90 HydrophobicContact CD1-CG2 3.93Å; I84-V90 HydrophobicContact CG1-CG2 4.46Å; I84-V90 HydrophobicContact CG2-CG2 4.46Å
91H86.3Confident68.9Low90 Ų9082 Ų8242%0.41746%0.464SS..EExtended strand (participates in β ladder)trans-87.9130.2175.5-72.678.2000109.7K30 L66 I67K30-H91 CarbonylContact O-C 3.59Å; K30-H91 WeakPolarHBondContact O-CA 3.18Å; L66-H91 CarbonylContact C-O 3.52Å; I67-H91 HydrophobicContact CB-CB 4.29Å; I67-H91 PolarHBondContact N-O 2.82Å; I67-H91 PolarHBondContact O-N 3.09Å
92L82.9Confident67.1Low1 Ų183 Ų831%0.00547%0.474CS..EExtended strand (participates in β ladder)trans-112.4123.6-179.317972000110.5V29 K30 T31 P32 I53 F57 L64 L66V29-L92 HydrophobicContact CG1-CB 3.52Å; V29-L92 HydrophobicContact CG1-CD2 3.85Å; V29-L92 HydrophobicContact CG1-CG 4.27Å; K30-L92 PolarHBondContact O-N 2.97Å; T31-L92 HydrophobicContact CG2-CB 3.81Å; T31-L92 HydrophobicContact CG2-CD2 3.51Å; T31-L92 HydrophobicContact CG2-CG 3.93Å; P32-L92 WeakPolarHBondContact CD-O 3.43Å; I53-L92 HydrophobicContact CG2-CD1 4.05Å; I53-L92 HydrophobicContact CG2-CD2 3.22Å; I53-L92 HydrophobicContact CG2-CG 4.28Å; F57-L92 HydrophobicContact CD2-CD2 4.1Å; F57-L92 HydrophobicContact CE2-CD2 4.31Å; F57-L92 HydrophobicContact CG-CD2 4.2Å; L64-L92 HydrophobicContact CB-CD1 3.97Å; L64-L92 HydrophobicContact CD2-CD1 3.86Å; L64-L92 HydrophobicContact CD2-CD2 3.96Å; L64-L92 HydrophobicContact CD2-CG 4.21Å; L64-L92 HydrophobicContact CG-CD1 4.45Å; L66-L92 HydrophobicContact CD1-CD1 4.24Å; L66-L92 HydrophobicContact CG-CD1 3.96Å
93V83.4Confident65.5Low65 Ų6584.3 Ų84.339%0.39450%0.5SS..EExtended strand (participates in β ladder)trans-111.9124.2175.8-177.40000108.8V65 I67V65-V93 HydrophobicContact CB-CB 4.42Å; V65-V93 PolarHBondContact N-O 3.3Å; V65-V93 PolarHBondContact O-N 3.28Å; I67-V93 HydrophobicContact CD1-CG2 3.7Å
94I83.3Confident63.8Low67 Ų6787.5 Ų87.534%0.34452%0.518SS..EExtended strand (participates in β ladder)trans-95.7109.2176.4-54.5171.6000108A59 Q63 L64 T96A59-I94 HydrophobicContact CB-CD1 4.13Å; A59-I94 HydrophobicContact CB-CG1 4.49Å; A59-I94 HydrophobicContact CB-CG2 4.13Å; Q63-I94 HydrophobicContact CB-CG2 4.26Å; Q63-I94 CarbonylContact O-C 3.51Å; Q63-I94 WeakPolarHBondContact O-CA 3.39Å; L64-I94 HydrophobicContact CD2-CG1 4.03Å; I94-T96 PolarHBondContact O-N 2.85Å
95K79.1Confident62Low133 Ų13392 Ų9258%0.57855%0.549SS*.  trans-73.5115.1170.4-72.5175.5171.4171.80108.4Q63 V65 A97Q63-K95 WeakPolarHBondContact CB-O 3.2Å; Q63-K95 WeakPolarHBondContact CG-O 3.43Å; Q63-K95 PolarHBondContact O-N 3.01Å; Q63-K95 PolarHBondContact OE1-O 3.37Å; V65-K95 HydrophobicContact CG2-CD 3.78Å; V65-K95 HydrophobicContact CG2-CG 4.15Å; K95-A97 PolarHBondContact O-N 3.19Å; K95-A97 VanDerWaalsContact O-N 3.15Å
96T64.1Low59.9Low111 Ų11192.9 Ų92.968%0.68157%0.566SS**  trans-69.4112.6171.851.60000108.8I94 H98I94-T96 PolarHBondContact O-N 2.85Å; T96-H98 PolarHBondContact O-N 3.41Å
97A52.8Low57.9Low72 Ų7294.1 Ų94.160%0.59558%0.582SS**  trans-61.2110169.100000108.3Q63 K95 K99Q63-A97 HydrophobicContact CG-CB 4.33Å; K95-A97 PolarHBondContact O-N 3.19Å; K95-A97 VanDerWaalsContact O-N 3.15Å; A97-K99 PolarHBondContact O-N 2.91Å; A97-K99 VanDerWaalsContact O-N 3.15Å
98H38.5Very low55.7Low180 Ų18096.7 Ų96.783%0.83360%0.598SS**  trans-59121.4163.9-83.2-62.1000107.4T96 A100T96-H98 PolarHBondContact O-N 3.41Å; H98-A100 VanDerWaalsContact C-N 3.27Å; H98-A100 PolarHBondContact O-N 3.47Å
99K34.3Very low53.3Low192 Ų19299.1 Ų99.184%0.83562%0.621SS**  trans-58.289.5174.2-176.1167.4-179.9-81.40108.7A97 A101A97-K99 PolarHBondContact O-N 2.91Å; A97-K99 VanDerWaalsContact O-N 3.15Å; K99-A101 PolarHBondContact O-N 3.33Å; K99-A101 VanDerWaalsContact O-N 3.15Å
100A38.3Very low50.8Low97 Ų97101.6 Ų101.680%0.80264%0.641SS**  trans-65.8107.8159.600000106.1H98H98-A100 VanDerWaalsContact C-N 3.27Å; H98-A100 PolarHBondContact O-N 3.47Å
101A36.8Very low48.2Very low84 Ų84107 Ų10769%0.69468%0.679SS**  trans-70.5128.7171.300000108.6K99K99-A101 PolarHBondContact O-N 3.33Å; K99-A101 VanDerWaalsContact O-N 3.15Å
102D35.1Very low45.3Very low162 Ų162109.3 Ų109.387%0.86670%0.699SS**  trans-52.6139.9168-160.8-102.6000111.8
103G35Very low42.8Very low76 Ų76114.6 Ų114.678%0.78474%0.736SS**  trans-171.288.8178.700000111.4
104S36.1Very low40.1Very low100 Ų100118 Ų11870%0.69976%0.757SS**  trans-73139.1-177.8-1780000114.7
105S37.4Very low37.6Very low96 Ų96123.8 Ų123.867%0.67178%0.783SS**  trans46.9123.9141.966.60000122.7
106T28.4Very low35.2Very low151 Ų151122.2 Ų122.293%0.92680%0.795SS**  -164.3138.7123.81.80000113.1
107S35.7Very low33.5Very low121 Ų121120.9 Ų120.985%0.84680%0.802SS**  trans-80.8154.2-175.6-46.60000114.4
108A29Very low32.7Very low104 Ų104124.7 Ų124.786%0.8681%0.813SS**  trans-173144.6132.200000112.9
109S32.9Very low32.4Very low115 Ų115120.7 Ų120.780%0.80481%0.805SS**  trans-104-179.9-163.5-380000114.8
110S31.1Very low32.2Very low117 Ų117116.8 Ų116.882%0.81880%0.802SS**  trans103.3138.915775.20000115
111S31.2Very low31.8Very low114 Ų114116.9 Ų116.980%0.79780%0.803SS**  cis-169.1160.33.2390000110.2
112T26.3Very low31.4Very low137 Ų137118.3 Ų118.384%0.8481%0.808SS**  trans-56.3140.4175.1-39.50000115.7
113S30.8Very low31.3Very low113 Ų113116 Ų11679%0.7980%0.804SS**  175.7144.1126.543.70000114.3
114T26.1Very low31.7Very low135 Ų135119 Ų11983%0.82881%0.81SS**  trans-38.1150170.2390000119
115Q31.4Very low31.6Very low190 Ų190119 Ų11989%0.88882%0.816SS**  169.7131.8104.3-175.416248.400115.2
116A27.8Very low31.2Very low100 Ų100119.5 Ų119.583%0.82683%0.826SS**  trans68.3128.8143.900000124.4
117G29.3Very low31.9Very low82 Ų82119.1 Ų119.185%0.84582%0.818SS**  trans172.181.2154.300000111.5
118N35.1Very low32.2Very low153 Ų153119.1 Ų119.182%0.81882%0.815SS**  trans-114.5130.8-176.3-146.466.1000110.2
119S33.1Very low32.3Very low95 Ų95118.1 Ų118.166%0.66481%0.807SS**  trans48.7150.3141-31.90000120.5
120S29.5Very low33.5Very low111 Ų111118.1 Ų118.178%0.77680%0.804SS**  cis-176.6159.336.9-65.80000111.5
121A30.1Very low33.3Very low98 Ų98118.3 Ų118.381%0.8180%0.801SS**  trans51148.7142.900000120.9
122S27.4Very low33.1Very low115 Ų115119 Ų11980%0.80480%0.8SS**  cis-177.4161.443.844.30000112.1
123S34.3Very low33.5Very low112 Ų112118.7 Ų118.778%0.78380%0.798SS**  trans-68.5171.3164.1-43.30000113.5
124P43.6Very low34Very low139 Ų139118.5 Ų118.590%0.90379%0.794SS**  -151.8-176.692.336.5-14.6000116.6
125A32.3Very low34Very low101 Ų101118 Ų11884%0.83579%0.791SS**  trans-109.1170-16100000116.7
126A29.7Very low33.8Very low106 Ų106113 Ų11388%0.87679%0.791SS**  trans-172.4148.3144.700000113.7
127N43.5Very low34.1Very low143 Ų143113.6 Ų113.677%0.76579%0.788SS**  trans-110.8162.6178.4-157.630.8000110.4
128P42Very low34.2Very low121 Ų121113.5 Ų113.579%0.78679%0.787SS**  -150.417194.334.7-13.3000116.9
129A31.8Very low34Very low83 Ų83115.6 Ų115.669%0.68679%0.792SS**  trans-92.5-164-174.400000114.9
130P57.4Low34.1Very low116 Ų116115 Ų11575%0.75379%0.793SS**  cis-128.4-167.2-31.333.9-12.5000113.9
131T27Very low34.8Very low120 Ų120115 Ų11574%0.73679%0.79SS**  trans122.1131143.5-6.70000121.4
132T27.3Very low34.9Very low129 Ų129116 Ų11679%0.79179%0.786SS**  trans78.3120.1148.9560000124.8
133V34.5Very low35.4Very low130 Ų130119.3 Ų119.379%0.78879%0.789SS**  trans-58.4173.6155.3-65.40000112.6
134P41.5Very low35.7Very low109 Ų109119.9 Ų119.971%0.70879%0.788SS**  cis-153.4-179.926.740.5-15.5000120.2
135T25.4Very low35.5Very low126 Ų126119.1 Ų119.177%0.77378%0.783SS**  trans86.5100.9144.6-20.30000121
136G27.9Very low36.2Very low85 Ų85121.7 Ų121.788%0.87678%0.783SS**  trans-145105.715000000109
137S33.8Very low37Very low111 Ų111124.8 Ų124.878%0.77678%0.783SS**  trans-103.1136.6-172.147.60000112.9
138G30.9Very low37.2Very low80 Ų80125.5 Ų125.583%0.82578%0.784SS**  trans84.5144.3158.300000115.4
139Q31.2Very low37.7Very low197 Ų197126.1 Ų126.192%0.92179%0.791SS**  cis-173147.57.6-162.1168.611.700106.8
140A35.9Very low38.4Very low82 Ų82125.4 Ų125.468%0.67879%0.792SS**  trans-70166.8171.300000111.6
141P43Very low37.9Very low112 Ų112129.1 Ų129.173%0.72780%0.796SS**  -141.6143.954.528.3-4.1000115.2
142T32.1Very low38.7Very low118 Ų118126.8 Ų126.872%0.72480%0.796SS**  45105.688.165.50000119.4
143Q37.3Very low39.4Very low186 Ų186126.6 Ų126.687%0.86979%0.79SS**  64.9128.5128-60.6-167.336.200123.3
144T41.5Very low40.2Very low124 Ų124126.8 Ų126.876%0.76179%0.786SS**  trans-63.5155.3160.243.90000115.4
145P40.4Very low40.7Very low122 Ų122125.9 Ų125.979%0.79279%0.788SS**  trans-116.4142.6150.333-19.7000113.6
146N45.5Very low41.9Very low155 Ų155124 Ų12483%0.82978%0.78SS**  trans-55.8144.3173.1-75.80.7000114.6
147I47.2Very low43.1Very low171 Ų171125.8 Ų125.888%0.87777%0.769SS**  trans-119.172.1166.5-54.1173.4000108.8
148M48.2Very low43.7Very low158 Ų158125.2 Ų125.278%0.77877%0.771SS**  trans-137.376.2173.8-168.968.279.400110.9
149S51.6Low44.6Very low134 Ų134124.6 Ų124.694%0.93776%0.764SS**  trans-149.239.1171.2-71.40000112.7
150G48Very low45.5Very low69 Ų69122 Ų12271%0.71176%0.756SS**  trans-126.511.7-177.400000116.2G152G150-G152 VanDerWaalsContact C-N 3.31Å; G150-G152 PolarHBondContact O-N 2.94Å; G150-G152 VanDerWaalsContact O-N 3.08Å
151F45Very low46.2Very low193 Ų193122.1 Ų122.185%0.84677%0.765SS**THydrogen-bonded Turntrans-88.960.3-172.3-160.8-97.5000112.7
152G45Very low46.7Very low71 Ų71125.3 Ų125.373%0.73277%0.773SS**THydrogen-bonded Turntrans-127.9-2.6179.600000116.1G150G150-G152 VanDerWaalsContact C-N 3.31Å; G150-G152 PolarHBondContact O-N 2.94Å; G150-G152 VanDerWaalsContact O-N 3.08Å
153D42Very low47.2Very low125 Ų125122.7 Ų122.767%0.66877%0.769SS**  trans-113.923.3-167.8-139.1-88.8000114.9A155D153-A155 PolarHBondContact O-N 3.37Å
154L51.1Low47.9Very low135 Ų135118.8 Ų118.871%0.70776%0.763SS**THydrogen-bonded Turntrans-87.630.6176-160.871.6000112.9L157L154-L157 HydrophobicContact CD1-CD2 4.3Å
155A52.7Low48.4Very low90 Ų90116.3 Ų116.374%0.74475%0.754SS**THydrogen-bonded Turntrans-111-12.5167.600000112.2D153D153-A155 PolarHBondContact O-N 3.37Å
156S50.8Low49Very low87 Ų87117.2 Ų117.261%0.60875%0.753SS**SBendtrans-89.5-23.2-179.2-178.10000113.4A158S156-A158 VanDerWaalsContact C-N 3.31Å; S156-A158 PolarHBondContact O-N 2.85Å
157L51.3Low49.5Very low121 Ų121115.1 Ų115.163%0.63474%0.736SS**G310 helixtrans-79.1-8.5-179.8-171.458.9000114.2L154 G159L154-L157 HydrophobicContact CD1-CD2 4.3Å; L157-G159 PolarHBondContact O-N 3.22Å
158A46.2Very low49.9Very low99 Ų99111.6 Ų111.682%0.81872%0.717SS**G310 helixtrans-77.8-2.3175.400000113.5S156S156-A158 VanDerWaalsContact C-N 3.31Å; S156-A158 PolarHBondContact O-N 2.85Å
159G51.7Low50.8Low67 Ų67111.1 Ų111.169%0.69171%0.713SS**G310 helixtrans-100.3-6.3-176.400000116.6L157 G161L157-G159 PolarHBondContact O-N 3.22Å; G159-G161 PolarHBondContact O-N 2.83Å
160L49.3Very low51.3Low142 Ų142110 Ų11074%0.74370%0.697SS**SBendtrans-90.398.4177.5-81.7172.4000110.4M162L160-M162 VanDerWaalsContact C-N 3.27Å; L160-M162 PolarHBondContact O-N 3.49Å
161G50.8Low51.8Low85 Ų85107.9 Ų107.988%0.87667%0.668SS**  trans-55.880175.800000114G159 G163G159-G161 PolarHBondContact O-N 2.83Å; G161-G163 PolarHBondContact O-N 3.37Å
162M52.4Low52.8Low180 Ų180103.3 Ų103.389%0.88765%0.649SS**  trans-85.386.7175.1-162.6-177.7-117.600109.3L160 S164L160-M162 VanDerWaalsContact C-N 3.27Å; L160-M162 PolarHBondContact O-N 3.49Å; M162-S164 PolarHBondContact O-N 3.34Å
163G43.8Very low53.8Low63 Ų63106.6 Ų106.665%0.64965%0.646SS**  trans-63.2116.9178.100000113.7G161 A165G161-G163 PolarHBondContact O-N 3.37Å; G163-A165 VanDerWaalsContact C-N 3.25Å; G163-A165 PolarHBondContact O-N 2.58Å
164S50.7Low54.5Low104 Ų104105.2 Ų105.273%0.72764%0.636SS**THydrogen-bonded Turntrans-13.72.2162.662.60000124.4M162M162-S164 PolarHBondContact O-N 3.34Å
165A51.9Low54.8Low71 Ų71100.7 Ų100.759%0.58761%0.611SS**THydrogen-bonded Turntrans-97.4-44.7-171.700000114.9G163G163-A165 VanDerWaalsContact C-N 3.25Å; G163-A165 PolarHBondContact O-N 2.58Å
166N54.8Low55.3Low142 Ų142105.7 Ų105.776%0.75961%0.611SS**Hα-helixtrans-87.6-16.8-175.2-8739000114.6
167F54.3Low55.7Low110 Ų110106.4 Ų106.448%0.48261%0.605SS.*Hα-helixtrans-74.8-30.4175.8-175.1-103.6000111.7Q171F167-Q171 WeakPolarHBondContact O-CB 3.49Å; F167-Q171 PolarHBondContact O-N 3.32Å
168M55.7Low55.9Low97 Ų97102.7 Ų102.748%0.47859%0.585SS.*Hα-helixtrans-69.7-36.5-176.1-164.2132.2164.800112.5Q172 P212M168-Q172 PolarHBondContact O-N 2.87Å; M168-P212 HydrophobicContact CE-CB 3.84Å; M168-P212 HydrophobicContact CE-CG 3.44Å; M168-P212 VanDerWaalsContact CE-CG 3.44Å; M168-P212 HydrophobicContact CG-CG 4.41Å; M168-P212 HydrophobicContact SD-CG 3.96Å
169E67.3Low56.4Low149 Ų149103.6 Ų103.670%0.69657%0.574SS**Hα-helixtrans-74.8-42.2177.3-159.5103.2157.800112Q172 Q173E169-Q172 PolarHBondContact O-N 2.81Å; E169-Q173 PolarHBondContact O-N 3.02Å
170L63.2Low57.4Low111 Ų111103.8 Ų103.858%0.58157%0.565SS**Hα-helixtrans-67.2-37.6178.2-177.267.4000111.7Q172 Q173 M174L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 2.77Å; L170-Q173 PolarHBondContact O-N 2.85Å; L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 PolarHBondContact O-N 3.36Å
171Q57.8Low57.2Low24 Ų24100.4 Ų100.411%0.11255%0.548CS..Hα-helixtrans-62.1-39.2174-177.4172.955.900111.2F167 Q175 N211F167-Q171 WeakPolarHBondContact O-CB 3.49Å; F167-Q171 PolarHBondContact O-N 3.32Å; Q171-Q175 WeakPolarHBondContact O-CB 3.43Å; Q171-Q175 PolarHBondContact O-N 2.94Å; Q171-N211 VanDerWaalsContact CD-CG 3.48Å; Q171-N211 PolarHBondContact NE2-ND2 2.87Å
172Q66.4Low57.8Low97 Ų97101 Ų10145%0.45354%0.536SS..Hα-helixtrans-73.6-36.1-179.1-152.116892.400112.4M168 E169 L170 R176M168-Q172 PolarHBondContact O-N 2.87Å; E169-Q172 PolarHBondContact O-N 2.81Å; L170-Q172 VanDerWaalsContact C-N 3.29Å; L170-Q172 PolarHBondContact O-N 2.77Å; Q172-R176 WeakPolarHBondContact O-CG 3.39Å; Q172-R176 PolarHBondContact O-N 2.86Å
173Q65.8Low58.9Low140 Ų14099.3 Ų99.365%0.65453%0.526SS*.Hα-helixtrans-70.2-42172.5-174.5175.1-9.200112E169 L170 Q175 R176 Q177E169-Q173 PolarHBondContact O-N 3.02Å; L170-Q173 PolarHBondContact O-N 2.85Å; Q173-Q175 VanDerWaalsContact C-N 3.33Å; Q173-Q175 PolarHBondContact O-N 3.15Å; Q173-R176 PolarHBondContact O-N 3.33Å; Q173-Q177 PolarHBondContact O-N 3.5Å; Q173-Q177 VanDerWaalsContact O-N 3.09Å
174M57.5Low60Low95 Ų95100.5 Ų100.547%0.46852%0.516SS..Hα-helixtrans-63.4-39.5175-175.7178.3161.200110.9L170 R176 Q177 L178 I188L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 PolarHBondContact O-N 3.36Å; M174-R176 PolarHBondContact O-N 3.41Å; M174-Q177 PolarHBondContact O-N 2.81Å; M174-L178 WeakPolarHBondContact O-CB 3.38Å; M174-L178 PolarHBondContact O-N 2.95Å; M174-I188 HydrophobicContact CE-CD1 3.92Å
175Q55.6Low60.6Low41 Ų4198.9 Ų98.919%0.19250%0.498CS..Hα-helixtrans-65.8-35.5178.9-170.2161.114.100112.9Q171 Q173 M179Q171-Q175 WeakPolarHBondContact O-CB 3.43Å; Q171-Q175 PolarHBondContact O-N 2.94Å; Q173-Q175 VanDerWaalsContact C-N 3.33Å; Q173-Q175 PolarHBondContact O-N 3.15Å; Q175-M179 PolarHBondContact O-N 2.83Å
176R65.1Low61.2Low195 Ų19598.1 Ų98.174%0.73649%0.489SS*.Hα-helixtrans-71.5-38.2174.1-67.717879.4-173.74.5112.5Q172 Q173 M174 S180Q172-R176 WeakPolarHBondContact O-CG 3.39Å; Q172-R176 PolarHBondContact O-N 2.86Å; Q173-R176 PolarHBondContact O-N 3.33Å; M174-R176 PolarHBondContact O-N 3.41Å; R176-S180 PolarHBondContact O-N 3.31Å; R176-S180 PolarHBondContact O-OG 2.92Å
177Q58.8Low61.8Low101 Ų10197.7 Ų97.747%0.47248%0.482SS..Hα-helixtrans-74-37.3178.8-168.166.22400112.5Q173 M174 M179 S180 N181 M184Q173-Q177 PolarHBondContact O-N 3.5Å; Q173-Q177 VanDerWaalsContact O-N 3.09Å; M174-Q177 PolarHBondContact O-N 2.81Å; Q177-M179 VanDerWaalsContact C-N 3.33Å; Q177-M179 PolarHBondContact O-N 2.91Å; Q177-S180 WeakPolarHBondContact CA-OG 3.24Å; Q177-S180 PolarHBondContact O-N 3.21Å; Q177-S180 PolarHBondContact O-OG 3.44Å; Q177-N181 WeakPolarHBondContact O-CB 3.45Å; Q177-N181 PolarHBondContact O-N 3.02Å; Q177-M184 HydrophobicContact CG-SD 4.21Å
178L55.8Low62.5Low44 Ų4494.9 Ų94.923%0.2347%0.472CS..Hα-helixtrans-65.4-35.6179-162.378.9000111.8M174 L185 I188M174-L178 WeakPolarHBondContact O-CB 3.38Å; M174-L178 PolarHBondContact O-N 2.95Å; L178-L185 HydrophobicContact CD1-CB 3.9Å; L178-L185 HydrophobicContact CD1-CD1 3.63Å; L178-L185 HydrophobicContact CD1-CG 4.36Å; L178-L185 HydrophobicContact CD2-CD1 3.69Å; L178-L185 HydrophobicContact CG-CB 4.15Å; L178-L185 HydrophobicContact CG-CD1 3.65Å; L178-L185 HydrophobicContact CG-CG 4.38Å; L178-I188 HydrophobicContact CD1-CD1 4.15Å
179M56.6Low62.9Low117 Ų11791.5 Ų91.558%0.57646%0.455SS*.Hα-helixtrans-76.5-21.8175-76.2176.9160.800113.2Q175 Q177 F290Q175-M179 PolarHBondContact O-N 2.83Å; Q177-M179 VanDerWaalsContact C-N 3.33Å; Q177-M179 PolarHBondContact O-N 2.91Å; M179-F290 HydrophobicContact CB-CE1 4.44Å; M179-F290 HydrophobicContact CB-CZ 4Å; M179-F290 HydrophobicContact CE-CE2 4.29Å; M179-F290 HydrophobicContact CG-CZ 4.26Å; M179-F290 HydrophobicContact SD-CD2 4.49Å; M179-F290 HydrophobicContact SD-CE1 4.43Å; M179-F290 HydrophobicContact SD-CE2 3.28Å; M179-F290 WeakPolarHBondContact SD-CE2 3.13Å; M179-F290 HydrophobicContact SD-CZ 3.25Å; M179-F290 WeakPolarHBondContact SD-CZ 3.31Å
180S72.8Confident63.2Low71 Ų7191 Ų9150%0.49745%0.453SS..Hα-helixtrans-88.4-21.4174.862.90000114.3R176 Q177R176-S180 PolarHBondContact O-N 3.31Å; R176-S180 PolarHBondContact O-OG 2.92Å; Q177-S180 WeakPolarHBondContact CA-OG 3.24Å; Q177-S180 PolarHBondContact O-N 3.21Å; Q177-S180 PolarHBondContact O-OG 3.44Å
181N45.1Very low63.8Low72 Ų7289.4 Ų89.439%0.38545%0.445SS..  trans-128.586-170.9-140.853.3000111.7Q177 E183 M184 L185Q177-N181 WeakPolarHBondContact O-CB 3.45Å; Q177-N181 PolarHBondContact O-N 3.02Å; N181-E183 PolarHBondContact O-N 3.31Å; N181-M184 HydrophobicContact CB-CB 4.05Å; N181-M184 PolarHBondContact O-N 2.88Å; N181-L185 PolarHBondContact O-N 2.83Å
182P61.8Low64.6Low98 Ų9892.5 Ų92.564%0.63647%0.467SS*.Hα-helixtrans-63.5-27.2-176.724.7-33.5000113.4L185 S186P182-L185 PolarHBondContact O-N 3.36Å; P182-S186 PolarHBondContact O-N 3.07Å
183E75.6Confident65.2Low143 Ų14393.8 Ų93.867%0.66848%0.476SS*.Hα-helixtrans-69.8-29.7172.9-90.4-104.5107.900113.5N181 S186 Q187N181-E183 PolarHBondContact O-N 3.31Å; E183-S186 WeakPolarHBondContact CA-OG 3.39Å; E183-S186 PolarHBondContact O-OG 3.46Å; E183-Q187 WeakPolarHBondContact O-CB 3.38Å; E183-Q187 PolarHBondContact O-N 3.27Å; E183-Q187 VanDerWaalsContact O-N 3.12Å
184M67.6Low65.6Low89 Ų8988.5 Ų88.544%0.43845%0.453SS..Hα-helixtrans-76.8-34175.1-169.7178.1-142.700110.8Q177 N181 Q187 I188Q177-M184 HydrophobicContact CG-SD 4.21Å; N181-M184 HydrophobicContact CB-CB 4.05Å; N181-M184 PolarHBondContact O-N 2.88Å; M184-Q187 PolarHBondContact O-N 3.37Å; M184-I188 HydrophobicContact CG-CD1 4.13Å; M184-I188 VanDerWaalsContact O-CB 3.28Å; M184-I188 WeakPolarHBondContact O-CB 3.37Å; M184-I188 WeakPolarHBondContact O-CG1 3.16Å; M184-I188 PolarHBondContact O-N 2.92Å
185L62.5Low66Low69 Ų6986.7 Ų86.736%0.36144%0.444SS..Hα-helixtrans-65-43.9173178.566.9000110.7L178 N181 P182 I188 M189L178-L185 HydrophobicContact CD1-CB 3.9Å; L178-L185 HydrophobicContact CD1-CD1 3.63Å; L178-L185 HydrophobicContact CD1-CG 4.36Å; L178-L185 HydrophobicContact CD2-CD1 3.69Å; L178-L185 HydrophobicContact CG-CB 4.15Å; L178-L185 HydrophobicContact CG-CD1 3.65Å; L178-L185 HydrophobicContact CG-CG 4.38Å; N181-L185 PolarHBondContact O-N 2.83Å; P182-L185 PolarHBondContact O-N 3.36Å; L185-I188 PolarHBondContact O-N 3.42Å; L185-M189 WeakPolarHBondContact O-CB 3.23Å; L185-M189 PolarHBondContact O-N 3.01Å
186S64.3Low66.8Low55 Ų5589.8 Ų89.839%0.38546%0.462SS..Hα-helixtrans-61.5-45.5175.359.20000111.3P182 E183 I188 M189 E190P182-S186 PolarHBondContact O-N 3.07Å; E183-S186 WeakPolarHBondContact CA-OG 3.39Å; E183-S186 PolarHBondContact O-OG 3.46Å; S186-I188 PolarHBondContact O-N 3.22Å; S186-M189 CarbonylContact O-C 3.52Å; S186-M189 PolarHBondContact O-N 3.2Å; S186-E190 WeakPolarHBondContact O-CB 3.44Å; S186-E190 PolarHBondContact O-N 3.07Å
187Q69.1Low67Low134 Ų13482.6 Ų82.663%0.62644%0.437SS*.Hα-helixtrans-63.9-37.8177.4-168.1102.647.900113.1E183 M184 N191E183-Q187 WeakPolarHBondContact O-CB 3.38Å; E183-Q187 PolarHBondContact O-N 3.27Å; E183-Q187 VanDerWaalsContact O-N 3.12Å; M184-Q187 PolarHBondContact O-N 3.37Å; Q187-N191 PolarHBondContact O-N 2.94Å
188I67.2Low67.5Low50 Ų5079.6 Ų79.626%0.25642%0.423SS..Hα-helixtrans-69.6-39.5174.6-80175.3000110.4M174 L178 M184 L185 S186 E190 N191 V194M174-I188 HydrophobicContact CE-CD1 3.92Å; L178-I188 HydrophobicContact CD1-CD1 4.15Å; M184-I188 HydrophobicContact CG-CD1 4.13Å; M184-I188 VanDerWaalsContact O-CB 3.28Å; M184-I188 WeakPolarHBondContact O-CB 3.37Å; M184-I188 WeakPolarHBondContact O-CG1 3.16Å; M184-I188 PolarHBondContact O-N 2.92Å; L185-I188 PolarHBondContact O-N 3.42Å; S186-I188 PolarHBondContact O-N 3.22Å; I188-E190 VanDerWaalsContact C-N 3.35Å; I188-N191 WeakPolarHBondContact O-CB 3.1Å; I188-N191 PolarHBondContact O-N 3.03Å; I188-V194 HydrophobicContact CG2-CG1 4.28Å; I188-V194 HydrophobicContact CG2-CG2 4.12Å; I188-V194 WeakPolarHBondContact O-CB 3.34Å; I188-V194 WeakPolarHBondContact O-CG1 3.45Å; I188-V194 VanDerWaalsContact O-CG2 3.3Å; I188-V194 WeakPolarHBondContact O-CG2 3.17Å
189M64.9Low68.6Low27 Ų2779.2 Ų79.213%0.13342%0.424CS..Hα-helixtrans-72.7-28.5178.8-154-177.9-167.700112.5L185 S186 N191 M198 M238 A241 R242L185-M189 WeakPolarHBondContact O-CB 3.23Å; L185-M189 PolarHBondContact O-N 3.01Å; S186-M189 CarbonylContact O-C 3.52Å; S186-M189 PolarHBondContact O-N 3.2Å; M189-N191 VanDerWaalsContact C-N 3.27Å; M189-M198 HydrophobicContact CE-CE 3.67Å; M189-M198 HydrophobicContact CE-SD 3.49Å; M189-M198 WeakPolarHBondContact CE-SD 3.48Å; M189-M198 HydrophobicContact CG-CE 3.72Å; M189-M198 HydrophobicContact CG-SD 3.46Å; M189-M198 WeakPolarHBondContact CG-SD 3.26Å; M189-M198 HydrophobicContact SD-CE 4.29Å; M189-M198 HydrophobicContact SD-SD 4.29Å; M189-M238 HydrophobicContact CE-CE 4.22Å; M189-M238 HydrophobicContact CE-CG 4.49Å; M189-A241 HydrophobicContact CE-CB 3.91Å; M189-R242 HydrophobicContact CE-CB 4.01Å
190E72.8Confident69.6Low139 Ų13977.6 Ų77.665%0.6542%0.418SS*.THydrogen-bonded Turntrans-74.5-15.8170.7-111.7-164132.800113S186 I188 P192S186-E190 WeakPolarHBondContact O-CB 3.44Å; S186-E190 PolarHBondContact O-N 3.07Å; I188-E190 VanDerWaalsContact C-N 3.35Å; E190-P192 WeakPolarHBondContact O-CD 3.37Å
191N77.8Confident69.5Low77 Ų7775.4 Ų75.441%0.41240%0.402SS..SBendtrans-67.3123.4-179.1-163.6-59.1000109.7Q187 I188 M189 L193 V194 Q195Q187-N191 PolarHBondContact O-N 2.94Å; I188-N191 WeakPolarHBondContact O-CB 3.1Å; I188-N191 PolarHBondContact O-N 3.03Å; M189-N191 VanDerWaalsContact C-N 3.27Å; N191-L193 PolarHBondContact O-N 2.78Å; N191-L193 WeakPolarHBondContact OD1-CB 3.4Å; N191-L193 PolarHBondContact OD1-N 2.66Å; N191-V194 HydrophobicContact CB-CB 4.27Å; N191-V194 HydrophobicContact CB-CG2 4.13Å; N191-V194 CarbonylContact O-C 3.59Å; N191-V194 WeakPolarHBondContact O-CA 3.27Å; N191-V194 PolarHBondContact O-N 3.39Å; N191-Q195 WeakPolarHBondContact O-CB 3.46Å; N191-Q195 PolarHBondContact O-N 3.15Å
192P73.5Confident71.3Confident88 Ų8877.8 Ų77.857%0.57142%0.415SS*.Hα-helixtrans-59.5-25-174.621.9-33.6000113.6E190 N196E190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-N196 WeakPolarHBondContact O-CB 3.4Å; P192-N196 PolarHBondContact O-N 3.11Å; P192-N196 PolarHBondContact O-ND2 2.99Å
193L78.9Confident72.2Confident125 Ų12576.8 Ų76.865%0.65440%0.404SS*.Hα-helixtrans-67.7-45.6171.8-175.282.4000111.7N191 Q195 N196 M197N191-L193 PolarHBondContact O-N 2.78Å; N191-L193 WeakPolarHBondContact OD1-CB 3.4Å; N191-L193 PolarHBondContact OD1-N 2.66Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-N196 PolarHBondContact O-N 2.84Å; L193-M197 PolarHBondContact O-N 3.08Å
194V74.8Confident71.9Confident28 Ų2871.7 Ų71.717%0.1738%0.38CS..Hα-helixtrans-72.4-31.7177176.30000110.2I188 N191 N196 M197 M198I188-V194 HydrophobicContact CG2-CG1 4.28Å; I188-V194 HydrophobicContact CG2-CG2 4.12Å; I188-V194 WeakPolarHBondContact O-CB 3.34Å; I188-V194 WeakPolarHBondContact O-CG1 3.45Å; I188-V194 VanDerWaalsContact O-CG2 3.3Å; I188-V194 WeakPolarHBondContact O-CG2 3.17Å; N191-V194 HydrophobicContact CB-CB 4.27Å; N191-V194 HydrophobicContact CB-CG2 4.13Å; N191-V194 CarbonylContact O-C 3.59Å; N191-V194 WeakPolarHBondContact O-CA 3.27Å; N191-V194 PolarHBondContact O-N 3.39Å; V194-N196 VanDerWaalsContact C-N 3.29Å; V194-N196 PolarHBondContact O-N 3.03Å; V194-M197 CarbonylContact O-C 3.42Å; V194-M197 WeakPolarHBondContact O-CA 3.32Å; V194-M197 WeakPolarHBondContact O-CB 3.46Å; V194-M197 PolarHBondContact O-N 3.48Å; V194-M197 VanDerWaalsContact O-N 3.09Å; V194-M198 HydrophobicContact CG1-CE 4.49Å; V194-M198 HydrophobicContact CG1-CG 4.23Å; V194-M198 HydrophobicContact CG1-SD 4.38Å; V194-M198 VanDerWaalsContact O-CB 3.23Å; V194-M198 WeakPolarHBondContact O-CB 3.37Å; V194-M198 WeakPolarHBondContact O-CG 3.45Å; V194-M198 PolarHBondContact O-N 3.36Å
195Q65.1Low72.1Confident58 Ų5870.7 Ų70.727%0.27137%0.372SS..Hα-helixtrans-65.7-34.7174.1-149161.757.500111.4N191 L193 S199 R242N191-Q195 WeakPolarHBondContact O-CB 3.46Å; N191-Q195 PolarHBondContact O-N 3.15Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; Q195-S199 WeakPolarHBondContact O-CB 3.23Å; Q195-S199 PolarHBondContact O-N 3.43Å; Q195-S199 PolarHBondContact O-OG 3.47Å; Q195-R242 VanDerWaalsContact CG-NH1 3.27Å
196N72.9Confident72.6Confident106 Ų10673.6 Ų73.657%0.56738%0.383SS*.Hα-helixtrans-74.3-30.4168.2-82.9-33.4000113.3P192 L193 V194 S199 N200P192-N196 WeakPolarHBondContact O-CB 3.4Å; P192-N196 PolarHBondContact O-N 3.11Å; P192-N196 PolarHBondContact O-ND2 2.99Å; L193-N196 PolarHBondContact O-N 2.84Å; V194-N196 VanDerWaalsContact C-N 3.29Å; V194-N196 PolarHBondContact O-N 3.03Å; N196-S199 VanDerWaalsContact CA-OG 3.29Å; N196-S199 WeakPolarHBondContact CA-OG 3.49Å; N196-S199 PolarHBondContact O-OG 2.8Å; N196-N200 VanDerWaalsContact O-CB 3.31Å; N196-N200 WeakPolarHBondContact O-CB 3.33Å; N196-N200 PolarHBondContact O-N 3.15Å
197M69.7Low72.9Confident44 Ų4474.6 Ų74.622%0.21738%0.383CS..Hα-helixtrans-72.9-36.7174.6-173.3129.466.700112.5L193 V194 N200 L203 M207L193-M197 PolarHBondContact O-N 3.08Å; V194-M197 CarbonylContact O-C 3.42Å; V194-M197 WeakPolarHBondContact O-CA 3.32Å; V194-M197 WeakPolarHBondContact O-CB 3.46Å; V194-M197 PolarHBondContact O-N 3.48Å; V194-M197 VanDerWaalsContact O-N 3.09Å; M197-N200 VanDerWaalsContact O-O 3.08Å; M197-L203 HydrophobicContact CB-CD2 4.07Å; M197-L203 HydrophobicContact CG-CD2 3.74Å; M197-L203 HydrophobicContact CG-CG 3.76Å; M197-L203 HydrophobicContact SD-CD1 4.17Å; M197-L203 HydrophobicContact SD-CD2 3.56Å; M197-L203 VanDerWaalsContact SD-CD2 3.56Å; M197-L203 HydrophobicContact SD-CG 3.61Å; M197-M207 HydrophobicContact CE-CE 3.35Å; M197-M207 HydrophobicContact CE-SD 4.14Å; M197-M207 HydrophobicContact SD-CE 3.64Å; M197-M207 HydrophobicContact SD-SD 4.33Å
198M69.5Low73.1Confident38 Ų3868.6 Ų68.619%0.18736%0.355CS..Hα-helixtrans-79.4-35.2177.5-83.9-166.9168.400112.7M189 V194 N200 M204 M238M189-M198 HydrophobicContact CE-CE 3.67Å; M189-M198 HydrophobicContact CE-SD 3.49Å; M189-M198 WeakPolarHBondContact CE-SD 3.48Å; M189-M198 HydrophobicContact CG-CE 3.72Å; M189-M198 HydrophobicContact CG-SD 3.46Å; M189-M198 WeakPolarHBondContact CG-SD 3.26Å; M189-M198 HydrophobicContact SD-CE 4.29Å; M189-M198 HydrophobicContact SD-SD 4.29Å; V194-M198 HydrophobicContact CG1-CE 4.49Å; V194-M198 HydrophobicContact CG1-CG 4.23Å; V194-M198 HydrophobicContact CG1-SD 4.38Å; V194-M198 VanDerWaalsContact O-CB 3.23Å; V194-M198 WeakPolarHBondContact O-CB 3.37Å; V194-M198 WeakPolarHBondContact O-CG 3.45Å; V194-M198 PolarHBondContact O-N 3.36Å; M198-N200 PolarHBondContact O-N 2.94Å; M198-M204 HydrophobicContact CG-SD 4.44Å; M198-M238 HydrophobicContact CB-CE 4.14Å; M198-M238 HydrophobicContact CB-CG 4.36Å; M198-M238 HydrophobicContact CB-SD 3.36Å; M198-M238 WeakPolarHBondContact CB-SD 3.47Å; M198-M238 HydrophobicContact CE-CE 3.15Å; M198-M238 HydrophobicContact CE-SD 4.34Å; M198-M238 HydrophobicContact CG-CE 3.44Å; M198-M238 VanDerWaalsContact CG-CE 3.44Å; M198-M238 HydrophobicContact CG-SD 3.37Å; M198-M238 WeakPolarHBondContact CG-SD 3.44Å; M198-M238 HydrophobicContact SD-CE 3.21Å; M198-M238 WeakPolarHBondContact SD-CE 3.5Å; M198-M238 HydrophobicContact SD-CG 4.23Å; M198-M238 HydrophobicContact SD-SD 3.66Å; M198-M238 VanDerWaalsContact SD-SD 3.66Å
199S77.7Confident73.6Confident36 Ų3671 Ų7125%0.25237%0.367SS..Hα-helixtrans-70-20.2174.564.50000112.6Q195 N196 P201 R235Q195-S199 WeakPolarHBondContact O-CB 3.23Å; Q195-S199 PolarHBondContact O-N 3.43Å; Q195-S199 PolarHBondContact O-OG 3.47Å; N196-S199 VanDerWaalsContact CA-OG 3.29Å; N196-S199 WeakPolarHBondContact CA-OG 3.49Å; N196-S199 PolarHBondContact O-OG 2.8Å; S199-P201 VanDerWaalsContact O-CD 3.25Å; S199-P201 WeakPolarHBondContact O-CD 3.22Å; S199-R235 PolarHBondContact O-NH2 3.02Å
200N79Confident74.3Confident83 Ų8372.3 Ų72.344%0.44438%0.382SS..  trans-96.2100.1177.1-78.44.6000111.2N196 M197 M198 D202 L203 M204N196-N200 VanDerWaalsContact O-CB 3.31Å; N196-N200 WeakPolarHBondContact O-CB 3.33Å; N196-N200 PolarHBondContact O-N 3.15Å; M197-N200 VanDerWaalsContact O-O 3.08Å; M198-N200 PolarHBondContact O-N 2.94Å; N200-D202 PolarHBondContact O-N 3.07Å; N200-L203 HydrophobicContact CB-CB 3.98Å; N200-L203 PolarHBondContact O-N 2.98Å; N200-M204 PolarHBondContact O-N 2.76Å
201P70.7Confident73.8Confident25 Ų2566.7 Ų66.716%0.16236%0.356CS..Hα-helixtrans-63.2-30.2-17726.7-35.2000112.6S199 R205 P231S199-P201 VanDerWaalsContact O-CD 3.25Å; S199-P201 WeakPolarHBondContact O-CD 3.22Å; P201-R205 VanDerWaalsContact O-CB 3.27Å; P201-R205 WeakPolarHBondContact O-CB 3.48Å; P201-R205 WeakPolarHBondContact O-CG 3.42Å; P201-R205 PolarHBondContact O-N 2.82Å; P201-P231 HydrophobicContact CB-CB 4.01Å; P201-P231 HydrophobicContact CG-CB 4.4Å
202D82.5Confident73.6Confident121 Ų12164.6 Ų64.665%0.64735%0.346SS*.Hα-helixtrans-69.8-40.8176.8-67.7-66.6000112.6N200 R205 Q206N200-D202 PolarHBondContact O-N 3.07Å; D202-R205 PolarHBondContact O-N 3.47Å; D202-Q206 WeakPolarHBondContact O-CB 3.14Å; D202-Q206 PolarHBondContact O-N 3.47Å
203L80.1Confident73.5Confident78 Ų7863.4 Ų63.441%0.40833%0.333SS..Hα-helixtrans-72.5-36178-176.356.4000111.1M197 N200 Q206 M207M197-L203 HydrophobicContact CB-CD2 4.07Å; M197-L203 HydrophobicContact CG-CD2 3.74Å; M197-L203 HydrophobicContact CG-CG 3.76Å; M197-L203 HydrophobicContact SD-CD1 4.17Å; M197-L203 HydrophobicContact SD-CD2 3.56Å; M197-L203 VanDerWaalsContact SD-CD2 3.56Å; M197-L203 HydrophobicContact SD-CG 3.61Å; N200-L203 HydrophobicContact CB-CB 3.98Å; N200-L203 PolarHBondContact O-N 2.98Å; L203-Q206 WeakPolarHBondContact O-CB 3.35Å; L203-Q206 PolarHBondContact O-N 2.91Å; L203-M207 WeakPolarHBondContact O-CB 3.23Å; L203-M207 PolarHBondContact O-N 3.45Å
204M69Low72.9Confident35 Ų3559.6 Ų59.617%0.17231%0.313CS..Hα-helixtrans-68.7-42.8173.9-158.8177.6169.200111.7M198 N200 Q206 M207 I208 M234 M238M198-M204 HydrophobicContact CG-SD 4.44Å; N200-M204 PolarHBondContact O-N 2.76Å; M204-Q206 VanDerWaalsContact C-N 3.28Å; M204-Q206 PolarHBondContact O-N 2.84Å; M204-M207 PolarHBondContact O-N 3.34Å; M204-M207 VanDerWaalsContact O-N 3.15Å; M204-I208 HydrophobicContact CE-CD1 4.14Å; M204-I208 HydrophobicContact CG-CD1 3.84Å; M204-I208 HydrophobicContact CG-CG1 4.43Å; M204-I208 WeakPolarHBondContact O-CB 3.34Å; M204-I208 VanDerWaalsContact O-CD1 3.3Å; M204-I208 WeakPolarHBondContact O-CD1 3.36Å; M204-I208 WeakPolarHBondContact O-CG1 3.48Å; M204-I208 PolarHBondContact O-N 3.16Å; M204-M234 HydrophobicContact CB-CE 4.02Å; M204-M234 HydrophobicContact CE-CE 3.48Å; M204-M234 VanDerWaalsContact CE-CE 3.48Å; M204-M234 HydrophobicContact CG-CE 3.54Å; M204-M234 HydrophobicContact SD-CE 3.2Å; M204-M234 WeakPolarHBondContact SD-CE 3.07Å; M204-M238 HydrophobicContact CE-CE 3.15Å; M204-M238 HydrophobicContact CE-SD 3.83Å; M204-M238 HydrophobicContact SD-CE 3.51Å; M204-M238 VanDerWaalsContact SD-CE 3.51Å; M204-M238 HydrophobicContact SD-SD 3.29Å
205R72.8Confident72.9Confident68 Ų6862.6 Ų62.626%0.25733%0.325SS..Hα-helixtrans-56.1-43.4169.5-94.2173.6157.3162.7-13.4111.8P201 D202 M207 I208 M209 L228 N229P201-R205 VanDerWaalsContact O-CB 3.27Å; P201-R205 WeakPolarHBondContact O-CB 3.48Å; P201-R205 WeakPolarHBondContact O-CG 3.42Å; P201-R205 PolarHBondContact O-N 2.82Å; D202-R205 PolarHBondContact O-N 3.47Å; R205-M207 VanDerWaalsContact C-N 3.35Å; R205-I208 PolarHBondContact O-N 3.05Å; R205-M209 WeakPolarHBondContact O-CB 3.09Å; R205-M209 WeakPolarHBondContact O-CG 3.42Å; R205-M209 PolarHBondContact O-N 3Å; R205-L228 VanDerWaalsContact CZ-O 3.24Å; R205-L228 PolarHBondContact NE-O 2.82Å; R205-L228 PolarHBondContact NH2-O 3.26Å; R205-N229 VanDerWaalsContact NH2-C 3.3Å; R205-N229 PolarHBondContact NH2-O 3.46Å
206Q73.4Confident73.3Confident130 Ų13065.5 Ų65.561%0.60734%0.338SS*.Hα-helixtrans-63.1-41.7176.4-166.972.433.600111.3D202 L203 M204 I208 A210D202-Q206 WeakPolarHBondContact O-CB 3.14Å; D202-Q206 PolarHBondContact O-N 3.47Å; L203-Q206 WeakPolarHBondContact O-CB 3.35Å; L203-Q206 PolarHBondContact O-N 2.91Å; M204-Q206 VanDerWaalsContact C-N 3.28Å; M204-Q206 PolarHBondContact O-N 2.84Å; Q206-I208 VanDerWaalsContact C-N 3.34Å; Q206-A210 WeakPolarHBondContact O-CA 3.45Å; Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 3.42Å
207M70.6Confident73Confident76 Ų7663.4 Ų63.437%0.37433%0.327SS..Hα-helixtrans-67.8-34.9176.7177.8164.4-81.600112.2M197 L203 M204 R205 A210 N211M197-M207 HydrophobicContact CE-CE 3.35Å; M197-M207 HydrophobicContact CE-SD 4.14Å; M197-M207 HydrophobicContact SD-CE 3.64Å; M197-M207 HydrophobicContact SD-SD 4.33Å; L203-M207 WeakPolarHBondContact O-CB 3.23Å; L203-M207 PolarHBondContact O-N 3.45Å; M204-M207 PolarHBondContact O-N 3.34Å; M204-M207 VanDerWaalsContact O-N 3.15Å; R205-M207 VanDerWaalsContact C-N 3.35Å; M207-A210 PolarHBondContact O-N 3.5Å; M207-N211 VanDerWaalsContact O-CB 3.31Å; M207-N211 WeakPolarHBondContact O-CB 3.5Å; M207-N211 PolarHBondContact O-N 3.47Å
208I73.1Confident73.1Confident8 Ų863 Ų634%0.04133%0.325CS..Hα-helixtrans-75.3-43.5179.7-69.4166000111.2M204 R205 Q206 A210 N211 M214 L228 M234M204-I208 HydrophobicContact CE-CD1 4.14Å; M204-I208 HydrophobicContact CG-CD1 3.84Å; M204-I208 HydrophobicContact CG-CG1 4.43Å; M204-I208 WeakPolarHBondContact O-CB 3.34Å; M204-I208 VanDerWaalsContact O-CD1 3.3Å; M204-I208 WeakPolarHBondContact O-CD1 3.36Å; M204-I208 WeakPolarHBondContact O-CG1 3.48Å; M204-I208 PolarHBondContact O-N 3.16Å; R205-I208 PolarHBondContact O-N 3.05Å; Q206-I208 VanDerWaalsContact C-N 3.34Å; I208-A210 VanDerWaalsContact C-N 3.3Å; I208-N211 PolarHBondContact O-N 2.91Å; I208-N211 VanDerWaalsContact O-N 3.16Å; I208-N211 VanDerWaalsContact O-O 3.1Å; I208-M214 HydrophobicContact CB-CE 4.39Å; I208-M214 HydrophobicContact CB-SD 4.09Å; I208-M214 HydrophobicContact CD1-CE 3.73Å; I208-M214 HydrophobicContact CD1-SD 4.28Å; I208-M214 HydrophobicContact CG1-CE 3.74Å; I208-M214 HydrophobicContact CG1-SD 3.61Å; I208-M214 HydrophobicContact CG2-CB 4.11Å; I208-M214 HydrophobicContact CG2-CE 3.81Å; I208-M214 HydrophobicContact CG2-CG 3.64Å; I208-M214 HydrophobicContact CG2-SD 3.69Å; I208-L228 HydrophobicContact CD1-CD2 3.47Å; I208-L228 VanDerWaalsContact CD1-CD2 3.47Å; I208-L228 HydrophobicContact CG2-CD1 3.63Å; I208-L228 HydrophobicContact CG2-CD2 4.37Å; I208-M234 HydrophobicContact CD1-CE 3.19Å
209M77.9Confident73.4Confident102 Ų10268.3 Ų68.350%0.50235%0.349SS..Hα-helixtrans-69.1-30.1170.8-74-175.1170.300111.4R205 N211 Q215R205-M209 WeakPolarHBondContact O-CB 3.09Å; R205-M209 WeakPolarHBondContact O-CG 3.42Å; R205-M209 PolarHBondContact O-N 3Å; M209-N211 PolarHBondContact O-N 3.2Å; M209-Q215 PolarHBondContact O-NE2 3.09Å
210A78.6Confident73.5Confident54 Ų5476 Ų7645%0.44637%0.373SS..Hα-helixtrans-74.7-15.7172.100000112.4Q206 M207 I208 P212Q206-A210 WeakPolarHBondContact O-CA 3.45Å; Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 3.42Å; M207-A210 PolarHBondContact O-N 3.5Å; I208-A210 VanDerWaalsContact C-N 3.3Å; A210-P212 VanDerWaalsContact O-CD 3.28Å; A210-P212 WeakPolarHBondContact O-CD 3.35Å
211N61.2Low72.5Confident20 Ų2074.8 Ų74.811%0.10737%0.366CS..  trans-92105.9177.7-167.6-24.6000110.5Q171 M207 I208 M209 Q213 M214 Q215Q171-N211 VanDerWaalsContact CD-CG 3.48Å; Q171-N211 PolarHBondContact NE2-ND2 2.87Å; M207-N211 VanDerWaalsContact O-CB 3.31Å; M207-N211 WeakPolarHBondContact O-CB 3.5Å; M207-N211 PolarHBondContact O-N 3.47Å; I208-N211 PolarHBondContact O-N 2.91Å; I208-N211 VanDerWaalsContact O-N 3.16Å; I208-N211 VanDerWaalsContact O-O 3.1Å; M209-N211 PolarHBondContact O-N 3.2Å; N211-Q213 PolarHBondContact O-N 3.15Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.27Å; N211-Q213 PolarHBondContact OD1-N 3.43Å; N211-Q213 VanDerWaalsContact OD1-N 3.08Å; N211-M214 HydrophobicContact CB-CB 4.03Å; N211-M214 PolarHBondContact O-N 3.49Å; N211-Q215 PolarHBondContact O-N 3.21Å
212P75.3Confident72.8Confident33 Ų3377.6 Ų77.621%0.21439%0.385CS..Hα-helixtrans-63.2-28.3-177.327.6-36000112.6M168 A210 M214 Q216M168-P212 HydrophobicContact CE-CB 3.84Å; M168-P212 HydrophobicContact CE-CG 3.44Å; M168-P212 VanDerWaalsContact CE-CG 3.44Å; M168-P212 HydrophobicContact CG-CG 4.41Å; M168-P212 HydrophobicContact SD-CG 3.96Å; A210-P212 VanDerWaalsContact O-CD 3.28Å; A210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-M214 VanDerWaalsContact C-N 3.33Å; P212-Q216 PolarHBondContact O-N 2.94Å
213Q69.8Low72.5Confident63 Ų6378.8 Ų78.829%0.29439%0.386SS..Hα-helixtrans-71.6-30.2175.2-112.5177.8-55.900112.2N211 L217N211-Q213 PolarHBondContact O-N 3.15Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.27Å; N211-Q213 PolarHBondContact OD1-N 3.43Å; N211-Q213 VanDerWaalsContact OD1-N 3.08Å; Q213-L217 PolarHBondContact O-N 3.49Å
214M66.6Low72Confident45 Ų4576.7 Ų76.722%0.22238%0.375CS..Hα-helixtrans-84.6-26178-156.8157.5168.400112.1I208 N211 P212 L217 M218 L228I208-M214 HydrophobicContact CB-CE 4.39Å; I208-M214 HydrophobicContact CB-SD 4.09Å; I208-M214 HydrophobicContact CD1-CE 3.73Å; I208-M214 HydrophobicContact CD1-SD 4.28Å; I208-M214 HydrophobicContact CG1-CE 3.74Å; I208-M214 HydrophobicContact CG1-SD 3.61Å; I208-M214 HydrophobicContact CG2-CB 4.11Å; I208-M214 HydrophobicContact CG2-CE 3.81Å; I208-M214 HydrophobicContact CG2-CG 3.64Å; I208-M214 HydrophobicContact CG2-SD 3.69Å; N211-M214 HydrophobicContact CB-CB 4.03Å; N211-M214 PolarHBondContact O-N 3.49Å; P212-M214 VanDerWaalsContact C-N 3.33Å; M214-L217 PolarHBondContact O-N 3.5Å; M214-M218 WeakPolarHBondContact O-CB 3.25Å; M214-M218 PolarHBondContact O-N 3.12Å; M214-L228 HydrophobicContact CE-CD1 4.32Å; M214-L228 HydrophobicContact CE-CD2 4.31Å
215Q74.4Confident72.1Confident92 Ų9276.5 Ų76.543%0.4338%0.377SS..Hα-helixtrans-58.8-48.1165.1-71.1-174.63.600111.2M209 N211 L217 M218 E219M209-Q215 PolarHBondContact O-NE2 3.09Å; N211-Q215 PolarHBondContact O-N 3.21Å; Q215-L217 PolarHBondContact O-N 3.26Å; Q215-M218 CarbonylContact O-C 3.59Å; Q215-M218 WeakPolarHBondContact O-CA 3.29Å; Q215-M218 WeakPolarHBondContact O-CB 3.41Å; Q215-M218 PolarHBondContact O-N 3.28Å; Q215-E219 VanDerWaalsContact C-OE2 3.3Å; Q215-E219 WeakPolarHBondContact O-CG 3.33Å; Q215-E219 PolarHBondContact O-N 3.43Å
216Q75.1Confident72.4Confident118 Ų11879.2 Ų79.255%0.55139%0.393SS*.Hα-helixtrans-59.2-35.1175.8-71.3175.3-18.900112.4P212 E219 R220P212-Q216 PolarHBondContact O-N 2.94Å; Q216-E219 WeakPolarHBondContact CA-OE2 3.32Å; Q216-E219 PolarHBondContact N-OE2 2.91Å; Q216-R220 VanDerWaalsContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CG 3.34Å; Q216-R220 PolarHBondContact O-N 3.16Å
217L66.1Low72.3Confident62 Ų6275.3 Ų75.333%0.32538%0.375SS..Hα-helixtrans-72.2-35.3175.8-170.165.2000112.3Q213 M214 Q215 R220 N221 I224Q213-L217 PolarHBondContact O-N 3.49Å; M214-L217 PolarHBondContact O-N 3.5Å; Q215-L217 PolarHBondContact O-N 3.26Å; L217-R220 PolarHBondContact O-N 2.8Å; L217-N221 WeakPolarHBondContact O-CB 3.47Å; L217-N221 PolarHBondContact O-N 3.05Å; L217-I224 HydrophobicContact CD1-CD1 4.06Å; L217-I224 HydrophobicContact CD2-CD1 3.75Å; L217-I224 HydrophobicContact CG-CD1 3.58Å
218M72.2Confident72.4Confident37 Ų3771.8 Ų71.818%0.18236%0.358CS..Hα-helixtrans-71.6-30.3175.9-161.7172.1179.700112.1M214 Q215 L228M214-M218 WeakPolarHBondContact O-CB 3.25Å; M214-M218 PolarHBondContact O-N 3.12Å; Q215-M218 CarbonylContact O-C 3.59Å; Q215-M218 WeakPolarHBondContact O-CA 3.29Å; Q215-M218 WeakPolarHBondContact O-CB 3.41Å; Q215-M218 PolarHBondContact O-N 3.28Å; M218-L228 HydrophobicContact CE-CB 3.91Å; M218-L228 HydrophobicContact CE-CD1 4.05Å; M218-L228 HydrophobicContact CG-CD1 4.06Å; M218-L228 HydrophobicContact SD-CD1 3.62Å
219E76.3Confident72.8Confident149 Ų14975.2 Ų75.270%0.69638%0.376SS*.Hα-helixtrans-76.2-35.3172.2-69.1168.399.300112.1Q215 Q216Q215-E219 VanDerWaalsContact C-OE2 3.3Å; Q215-E219 WeakPolarHBondContact O-CG 3.33Å; Q215-E219 PolarHBondContact O-N 3.43Å; Q216-E219 WeakPolarHBondContact CA-OE2 3.32Å; Q216-E219 PolarHBondContact N-OE2 2.91Å
220R78.3Confident73Confident196 Ų19674.9 Ų74.974%0.7438%0.376SS*.Hα-helixtrans-81.7-24.9179.7-73-179.380.378.42.3113.5Q216 L217Q216-R220 VanDerWaalsContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CB 3.29Å; Q216-R220 WeakPolarHBondContact O-CG 3.34Å; Q216-R220 PolarHBondContact O-N 3.16Å; L217-R220 PolarHBondContact O-N 2.8Å
221N58.4Low72.8Confident59 Ų5974.5 Ų74.532%0.31637%0.369SS..  trans-131.1100-177.7-156-19.3000111.3L217 E223 I224 S225L217-N221 WeakPolarHBondContact O-CB 3.47Å; L217-N221 PolarHBondContact O-N 3.05Å; N221-E223 PolarHBondContact O-N 2.91Å; N221-E223 WeakPolarHBondContact OD1-CB 3.34Å; N221-E223 PolarHBondContact OD1-N 2.82Å; N221-I224 HydrophobicContact CB-CB 4.25Å; N221-I224 HydrophobicContact CB-CD1 3.86Å; N221-I224 HydrophobicContact CB-CG1 3.99Å; N221-I224 WeakPolarHBondContact O-CB 3.41Å; N221-I224 PolarHBondContact O-N 3.19Å; N221-S225 PolarHBondContact O-N 3.48Å
222P78Confident73.7Confident84 Ų8479.4 Ų79.455%0.54539%0.392SS..Hα-helixtrans-63.7-22-17926.4-33.9000112.6S225 H226P222-S225 WeakPolarHBondContact O-CB 3.46Å; P222-S225 PolarHBondContact O-N 3.22Å; P222-H226 PolarHBondContact O-CD2 3.43Å; P222-H226 PolarHBondContact O-N 3.21Å
223E76.1Confident73.9Confident146 Ų14681.1 Ų81.168%0.68240%0.398SS*.Hα-helixtrans-67.1-37.5173-66.8-104.8116.400111.7N221 S225 H226 M227N221-E223 PolarHBondContact O-N 2.91Å; N221-E223 WeakPolarHBondContact OD1-CB 3.34Å; N221-E223 PolarHBondContact OD1-N 2.82Å; E223-S225 VanDerWaalsContact C-N 3.31Å; E223-H226 CarbonylContact O-C 3.53Å; E223-H226 PolarHBondContact O-N 2.87Å; E223-M227 WeakPolarHBondContact O-CB 3.34Å; E223-M227 PolarHBondContact O-N 3.18Å
224I67.9Low73.8Confident33 Ų3378.5 Ų78.517%0.16939%0.386CS..Hα-helixtrans-68.2-38.2174.3-66.4177.8000109.2L217 N221 H226 M227 L228L217-I224 HydrophobicContact CD1-CD1 4.06Å; L217-I224 HydrophobicContact CD2-CD1 3.75Å; L217-I224 HydrophobicContact CG-CD1 3.58Å; N221-I224 HydrophobicContact CB-CB 4.25Å; N221-I224 HydrophobicContact CB-CD1 3.86Å; N221-I224 HydrophobicContact CB-CG1 3.99Å; N221-I224 WeakPolarHBondContact O-CB 3.41Å; N221-I224 PolarHBondContact O-N 3.19Å; I224-H226 VanDerWaalsContact C-N 3.34Å; I224-H226 PolarHBondContact O-N 3.16Å; I224-M227 PolarHBondContact O-N 3.29Å; I224-L228 HydrophobicContact CG2-CD1 3.72Å; I224-L228 HydrophobicContact CG2-CG 4.14Å; I224-L228 VanDerWaalsContact O-CB 3.29Å; I224-L228 WeakPolarHBondContact O-CB 3.47Å; I224-L228 WeakPolarHBondContact O-CG 3.36Å; I224-L228 PolarHBondContact O-N 3.34Å
225S71.9Confident74.2Confident32 Ų3281.9 Ų81.922%0.22440%0.397CS..Hα-helixtrans-60.1-43.6170.6-171.90000111.8N221 P222 E223 L228 N229N221-S225 PolarHBondContact O-N 3.48Å; P222-S225 WeakPolarHBondContact O-CB 3.46Å; P222-S225 PolarHBondContact O-N 3.22Å; E223-S225 VanDerWaalsContact C-N 3.31Å; S225-L228 PolarHBondContact O-N 2.8Å; S225-N229 WeakPolarHBondContact O-CB 3.47Å; S225-N229 PolarHBondContact O-N 3.06Å; S225-N229 PolarHBondContact O-ND2 2.86Å; S225-N229 PolarHBondContact OG-ND2 3.3Å
226H79.5Confident74.3Confident125 Ų12583.4 Ų83.458%0.57940%0.404SS*.Hα-helixtrans-66.1-38.1175.3-78.4-60.7000113.1P222 E223 I224 N229 N230P222-H226 PolarHBondContact O-CD2 3.43Å; P222-H226 PolarHBondContact O-N 3.21Å; E223-H226 CarbonylContact O-C 3.53Å; E223-H226 PolarHBondContact O-N 2.87Å; I224-H226 VanDerWaalsContact C-N 3.34Å; I224-H226 PolarHBondContact O-N 3.16Å; H226-N229 PolarHBondContact O-N 3.29Å; H226-N230 VanDerWaalsContact O-CB 3.29Å; H226-N230 WeakPolarHBondContact O-CB 3.44Å; H226-N230 PolarHBondContact O-N 2.8Å
227M70.6Confident74.1Confident47 Ų4780.6 Ų80.623%0.23240%0.395CS..Hα-helixtrans-64.2-44.8175-169.2-170.682.700111.9E223 I224 N229 N230 L233 T237E223-M227 WeakPolarHBondContact O-CB 3.34Å; E223-M227 PolarHBondContact O-N 3.18Å; I224-M227 PolarHBondContact O-N 3.29Å; M227-N229 VanDerWaalsContact C-N 3.3Å; M227-N230 CarbonylContact O-C 3.51Å; M227-N230 PolarHBondContact O-N 3.23Å; M227-L233 HydrophobicContact CB-CD2 4.15Å; M227-L233 HydrophobicContact CG-CD2 4.07Å; M227-L233 HydrophobicContact CG-CG 3.98Å; M227-T237 HydrophobicContact SD-CG2 3.91Å
228L74.1Confident74.2Confident3 Ų378.8 Ų78.82%0.01639%0.385CS..Hα-helixtrans-73.7-25177-66176.5000112.7R205 I208 M214 M218 I224 S225 N230 M234R205-L228 VanDerWaalsContact CZ-O 3.24Å; R205-L228 PolarHBondContact NE-O 2.82Å; R205-L228 PolarHBondContact NH2-O 3.26Å; I208-L228 HydrophobicContact CD1-CD2 3.47Å; I208-L228 VanDerWaalsContact CD1-CD2 3.47Å; I208-L228 HydrophobicContact CG2-CD1 3.63Å; I208-L228 HydrophobicContact CG2-CD2 4.37Å; M214-L228 HydrophobicContact CE-CD1 4.32Å; M214-L228 HydrophobicContact CE-CD2 4.31Å; M218-L228 HydrophobicContact CE-CB 3.91Å; M218-L228 HydrophobicContact CE-CD1 4.05Å; M218-L228 HydrophobicContact CG-CD1 4.06Å; M218-L228 HydrophobicContact SD-CD1 3.62Å; I224-L228 HydrophobicContact CG2-CD1 3.72Å; I224-L228 HydrophobicContact CG2-CG 4.14Å; I224-L228 VanDerWaalsContact O-CB 3.29Å; I224-L228 WeakPolarHBondContact O-CB 3.47Å; I224-L228 WeakPolarHBondContact O-CG 3.36Å; I224-L228 PolarHBondContact O-N 3.34Å; S225-L228 PolarHBondContact O-N 2.8Å; L228-N230 VanDerWaalsContact C-N 3.29Å; L228-M234 HydrophobicContact CD2-CE 3.51Å; L228-M234 HydrophobicContact CD2-CG 4.45Å; L228-M234 HydrophobicContact CD2-SD 3.76Å
229N80.9Confident74.3Confident80 Ų8082.8 Ų82.843%0.42840%0.403SS..Hα-helixtrans-76.7-20.6173.8-80.5-48.5000112.9R205 S225 H226 M227 P231R205-N229 VanDerWaalsContact NH2-C 3.3Å; R205-N229 PolarHBondContact NH2-O 3.46Å; S225-N229 WeakPolarHBondContact O-CB 3.47Å; S225-N229 PolarHBondContact O-N 3.06Å; S225-N229 PolarHBondContact O-ND2 2.86Å; S225-N229 PolarHBondContact OG-ND2 3.3Å; H226-N229 PolarHBondContact O-N 3.29Å; M227-N229 VanDerWaalsContact C-N 3.3Å; N229-P231 WeakPolarHBondContact O-CD 3.48Å
230N81Confident74.1Confident95 Ų9578 Ų7851%0.50838%0.382SS..  trans-112.196.7-176.4-1357.7000110.3H226 M227 L228 E232 L233 M234H226-N230 VanDerWaalsContact O-CB 3.29Å; H226-N230 WeakPolarHBondContact O-CB 3.44Å; H226-N230 PolarHBondContact O-N 2.8Å; M227-N230 CarbonylContact O-C 3.51Å; M227-N230 PolarHBondContact O-N 3.23Å; L228-N230 VanDerWaalsContact C-N 3.29Å; N230-E232 PolarHBondContact O-N 3.01Å; N230-E232 VanDerWaalsContact O-N 3.15Å; N230-L233 HydrophobicContact CB-CB 4.03Å; N230-L233 PolarHBondContact O-N 2.83Å; N230-M234 PolarHBondContact O-N 3.33Å
231P74.5Confident73.6Confident45 Ų4571.4 Ų71.429%0.29237%0.37SS..Hα-helixtrans-61.8-28.5-17225.5-34.8000113P201 N229 R235P201-P231 HydrophobicContact CB-CB 4.01Å; P201-P231 HydrophobicContact CG-CB 4.4Å; N229-P231 WeakPolarHBondContact O-CD 3.48Å; P231-R235 VanDerWaalsContact O-CB 3.32Å; P231-R235 WeakPolarHBondContact O-CB 3.3Å; P231-R235 WeakPolarHBondContact O-CG 3.38Å; P231-R235 PolarHBondContact O-N 2.86Å
232E81.3Confident74.1Confident124 Ų12474.3 Ų74.358%0.57938%0.376SS*.Hα-helixtrans-70.3-38.5175.1-74.7-59.8122.500112.7N230 Q236N230-E232 PolarHBondContact O-N 3.01Å; N230-E232 VanDerWaalsContact O-N 3.15Å; E232-Q236 WeakPolarHBondContact O-CB 3.46Å; E232-Q236 PolarHBondContact O-N 2.89Å
233L79.1Confident73.7Confident68 Ų6873.9 Ų73.936%0.35637%0.369SS..Hα-helixtrans-70.6-42.2175.7-175.360.9000110.2M227 N230 R235 Q236 T237M227-L233 HydrophobicContact CB-CD2 4.15Å; M227-L233 HydrophobicContact CG-CD2 4.07Å; M227-L233 HydrophobicContact CG-CG 3.98Å; N230-L233 HydrophobicContact CB-CB 4.03Å; N230-L233 PolarHBondContact O-N 2.83Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.19Å; L233-Q236 WeakPolarHBondContact O-CB 3.34Å; L233-Q236 PolarHBondContact O-N 3.47Å; L233-T237 PolarHBondContact O-N 3.01Å; L233-T237 PolarHBondContact O-OG1 3.02Å
234M68.5Low73.5Confident9 Ų970.9 Ų70.94%0.04436%0.362CS..Hα-helixtrans-61.1-42.8175.6-166.5178.3-176.100112.1M204 I208 L228 N230 T237 M238M204-M234 HydrophobicContact CB-CE 4.02Å; M204-M234 HydrophobicContact CE-CE 3.48Å; M204-M234 VanDerWaalsContact CE-CE 3.48Å; M204-M234 HydrophobicContact CG-CE 3.54Å; M204-M234 HydrophobicContact SD-CE 3.2Å; M204-M234 WeakPolarHBondContact SD-CE 3.07Å; I208-M234 HydrophobicContact CD1-CE 3.19Å; L228-M234 HydrophobicContact CD2-CE 3.51Å; L228-M234 HydrophobicContact CD2-CG 4.45Å; L228-M234 HydrophobicContact CD2-SD 3.76Å; N230-M234 PolarHBondContact O-N 3.33Å; M234-T237 PolarHBondContact O-N 3.08Å; M234-M238 WeakPolarHBondContact O-CB 3.5Å; M234-M238 PolarHBondContact O-N 3.4Å
235R75Confident73.8Confident116 Ų11671.8 Ų71.844%0.43838%0.375SS..Hα-helixtrans-59.3-47.4172-86.7-178.7142.9156.70.8111.4S199 P231 L233 T237 M238 E239S199-R235 PolarHBondContact O-NH2 3.02Å; P231-R235 VanDerWaalsContact O-CB 3.32Å; P231-R235 WeakPolarHBondContact O-CB 3.3Å; P231-R235 WeakPolarHBondContact O-CG 3.38Å; P231-R235 PolarHBondContact O-N 2.86Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.19Å; R235-T237 PolarHBondContact O-N 3.23Å; R235-M238 CarbonylContact O-C 3.59Å; R235-M238 PolarHBondContact O-N 3.12Å; R235-E239 WeakPolarHBondContact O-CA 3.33Å; R235-E239 WeakPolarHBondContact O-CB 3.12Å; R235-E239 PolarHBondContact O-N 3.36Å
236Q74.8Confident73.7Confident124 Ų12474.4 Ų74.458%0.57939%0.385SS*.Hα-helixtrans-62.5-43.3178.7-170.1-179.3142.600112.6E232 L233 E239 L240E232-Q236 WeakPolarHBondContact O-CB 3.46Å; E232-Q236 PolarHBondContact O-N 2.89Å; L233-Q236 WeakPolarHBondContact O-CB 3.34Å; L233-Q236 PolarHBondContact O-N 3.47Å; Q236-E239 PolarHBondContact O-N 3.27Å; Q236-L240 WeakPolarHBondContact O-CB 3.31Å; Q236-L240 PolarHBondContact O-N 2.96Å
237T71Confident72.9Confident58 Ų5873.3 Ų73.336%0.35638%0.381SS..Hα-helixtrans-67.4-40.2176.6-55.70000111.3M227 L233 M234 R235 E239 A241M227-T237 HydrophobicContact SD-CG2 3.91Å; L233-T237 PolarHBondContact O-N 3.01Å; L233-T237 PolarHBondContact O-OG1 3.02Å; M234-T237 PolarHBondContact O-N 3.08Å; R235-T237 PolarHBondContact O-N 3.23Å; T237-E239 VanDerWaalsContact C-N 3.34Å; T237-A241 WeakPolarHBondContact O-CB 3.18Å; T237-A241 PolarHBondContact O-N 3.12Å
238M68.6Low73.1Confident25 Ų2577.1 Ų77.112%0.12340%0.398CS..Hα-helixtrans-70.2-31.8176178140-88.700112.5M189 M198 M204 M234 R235 A241 R242M189-M238 HydrophobicContact CE-CE 4.22Å; M189-M238 HydrophobicContact CE-CG 4.49Å; M198-M238 HydrophobicContact CB-CE 4.14Å; M198-M238 HydrophobicContact CB-CG 4.36Å; M198-M238 HydrophobicContact CB-SD 3.36Å; M198-M238 WeakPolarHBondContact CB-SD 3.47Å; M198-M238 HydrophobicContact CE-CE 3.15Å; M198-M238 HydrophobicContact CE-SD 4.34Å; M198-M238 HydrophobicContact CG-CE 3.44Å; M198-M238 VanDerWaalsContact CG-CE 3.44Å; M198-M238 HydrophobicContact CG-SD 3.37Å; M198-M238 WeakPolarHBondContact CG-SD 3.44Å; M198-M238 HydrophobicContact SD-CE 3.21Å; M198-M238 WeakPolarHBondContact SD-CE 3.5Å; M198-M238 HydrophobicContact SD-CG 4.23Å; M198-M238 HydrophobicContact SD-SD 3.66Å; M198-M238 VanDerWaalsContact SD-SD 3.66Å; M204-M238 HydrophobicContact CE-CE 3.15Å; M204-M238 HydrophobicContact CE-SD 3.83Å; M204-M238 HydrophobicContact SD-CE 3.51Å; M204-M238 VanDerWaalsContact SD-CE 3.51Å; M204-M238 HydrophobicContact SD-SD 3.29Å; M234-M238 WeakPolarHBondContact O-CB 3.5Å; M234-M238 PolarHBondContact O-N 3.4Å; R235-M238 CarbonylContact O-C 3.59Å; R235-M238 PolarHBondContact O-N 3.12Å; M238-A241 PolarHBondContact O-N 2.66Å; M238-R242 WeakPolarHBondContact O-CA 3.2Å; M238-R242 WeakPolarHBondContact O-CB 3.5Å; M238-R242 PolarHBondContact O-N 3.43Å
239E74.1Confident73Confident121 Ų12183.6 Ų83.657%0.56543%0.429SS*.Hα-helixtrans-74.7-37.9176.6-171.8168.4-170.500110.8R235 Q236 T237 A241 R242 N243R235-E239 WeakPolarHBondContact O-CA 3.33Å; R235-E239 WeakPolarHBondContact O-CB 3.12Å; R235-E239 PolarHBondContact O-N 3.36Å; Q236-E239 PolarHBondContact O-N 3.27Å; T237-E239 VanDerWaalsContact C-N 3.34Å; E239-A241 VanDerWaalsContact C-N 3.35Å; E239-R242 PolarHBondContact O-N 3.22Å; E239-N243 WeakPolarHBondContact O-CB 3.36Å; E239-N243 PolarHBondContact O-N 2.99Å
240L73Confident72.4Confident47 Ų4784.9 Ų84.925%0.24643%0.433CS..Hα-helixtrans-63.9-39.8168.6-174.164.9000111.8Q236 N243 M246 M247 M250Q236-L240 WeakPolarHBondContact O-CB 3.31Å; Q236-L240 PolarHBondContact O-N 2.96Å; L240-N243 CarbonylContact O-C 3.58Å; L240-M246 HydrophobicContact CD1-CB 4.34Å; L240-M246 HydrophobicContact CD1-CE 4.45Å; L240-M246 HydrophobicContact CD1-CG 3.91Å; L240-M246 HydrophobicContact CD1-SD 4.1Å; L240-M247 HydrophobicContact CD1-CB 3.93Å; L240-M247 HydrophobicContact CG-CB 4.36Å; L240-M250 HydrophobicContact CD1-SD 4.49Å
241A66.6Low71.3Confident59 Ų5986.2 Ų86.249%0.48844%0.438SS..Hα-helixtrans-71.3-36.1175.600000112.7M189 T237 M238 E239 N243M189-A241 HydrophobicContact CE-CB 3.91Å; T237-A241 WeakPolarHBondContact O-CB 3.18Å; T237-A241 PolarHBondContact O-N 3.12Å; M238-A241 PolarHBondContact O-N 2.66Å; E239-A241 VanDerWaalsContact C-N 3.35Å; A241-N243 VanDerWaalsContact C-N 3.33Å
242R70.2Confident71.5Confident119 Ų11993.4 Ų93.445%0.44946%0.459SS..Hα-helixtrans-75.6-24.8178176.6173.5162.1167.1-3.5112M189 Q195 M238 E239 P244M189-R242 HydrophobicContact CE-CB 4.01Å; Q195-R242 VanDerWaalsContact CG-NH1 3.27Å; M238-R242 WeakPolarHBondContact O-CA 3.2Å; M238-R242 WeakPolarHBondContact O-CB 3.5Å; M238-R242 PolarHBondContact O-N 3.43Å; E239-R242 PolarHBondContact O-N 3.22Å; R242-P244 VanDerWaalsContact C-CD 3.43Å; R242-P244 WeakPolarHBondContact O-CD 3.37Å
243N68.3Low71.3Confident75 Ų7592.8 Ų92.840%0.40146%0.46SS..  trans-112.379.1179.9-157.18.9000110.2E239 L240 A241 A245 M246 M247E239-N243 WeakPolarHBondContact O-CB 3.36Å; E239-N243 PolarHBondContact O-N 2.99Å; L240-N243 CarbonylContact O-C 3.58Å; A241-N243 VanDerWaalsContact C-N 3.33Å; N243-A245 PolarHBondContact O-N 2.86Å; N243-A245 VanDerWaalsContact O-N 3.09Å; N243-M246 HydrophobicContact CB-CB 3.93Å; N243-M246 WeakPolarHBondContact O-CA 3.06Å; N243-M246 WeakPolarHBondContact O-CB 3.46Å; N243-M246 PolarHBondContact O-N 2.98Å; N243-M247 PolarHBondContact O-N 3.42Å
244P72.1Confident70.6Confident83 Ų8394.6 Ų94.654%0.53947%0.467SS..Hα-helixtrans-59.7-23.7178.725.8-35.1000111.9R242 M247 Q248R242-P244 VanDerWaalsContact C-CD 3.43Å; R242-P244 WeakPolarHBondContact O-CD 3.37Å; P244-M247 PolarHBondContact O-N 2.8Å; P244-Q248 VanDerWaalsContact O-CB 3.24Å; P244-Q248 WeakPolarHBondContact O-CB 3.35Å; P244-Q248 VanDerWaalsContact O-CG 3.24Å; P244-Q248 WeakPolarHBondContact O-CG 3.04Å; P244-Q248 PolarHBondContact O-N 2.87Å
245A74.1Confident70.6Confident52 Ų5299.1 Ų99.143%0.4349%0.491SS..Hα-helixtrans-68-36.3172.100000112.5N243 Q248 E249N243-A245 PolarHBondContact O-N 2.86Å; N243-A245 VanDerWaalsContact O-N 3.09Å; A245-Q248 CarbonylContact O-C 3.6Å; A245-Q248 PolarHBondContact O-N 3.01Å; A245-E249 WeakPolarHBondContact O-CB 3.33Å; A245-E249 PolarHBondContact O-N 3.36Å
246M70.9Confident70.5Confident88 Ų88102.5 Ų102.543%0.43350%0.504SS..Hα-helixtrans-70-37.9173.8-178-176.1178.500111.2L240 N243 E249 M250L240-M246 HydrophobicContact CD1-CB 4.34Å; L240-M246 HydrophobicContact CD1-CE 4.45Å; L240-M246 HydrophobicContact CD1-CG 3.91Å; L240-M246 HydrophobicContact CD1-SD 4.1Å; N243-M246 HydrophobicContact CB-CB 3.93Å; N243-M246 WeakPolarHBondContact O-CA 3.06Å; N243-M246 WeakPolarHBondContact O-CB 3.46Å; N243-M246 PolarHBondContact O-N 2.98Å; M246-E249 PolarHBondContact O-N 2.91Å; M246-M250 WeakPolarHBondContact O-CB 3.29Å; M246-M250 PolarHBondContact O-N 3.15Å
247M62.1Low70Confident102 Ų10298.7 Ų98.750%0.50249%0.493SS..Hα-helixtrans-70.2-37173.2-170.1179.3-175.200111.8L240 N243 P244 E249 M250 M251L240-M247 HydrophobicContact CD1-CB 3.93Å; L240-M247 HydrophobicContact CG-CB 4.36Å; N243-M247 PolarHBondContact O-N 3.42Å; P244-M247 PolarHBondContact O-N 2.8Å; M247-E249 VanDerWaalsContact C-N 3.34Å; M247-M250 PolarHBondContact O-N 2.85Å; M247-M251 VanDerWaalsContact O-CB 3.28Å; M247-M251 WeakPolarHBondContact O-CB 3.35Å; M247-M251 PolarHBondContact O-N 3.24Å
248Q74.9Confident69.3Low126 Ų12698 Ų9859%0.58949%0.487SS*.Hα-helixtrans-69.4-31172.4-81174.4-10.200112.3P244 A245 M251 R252P244-Q248 VanDerWaalsContact O-CB 3.24Å; P244-Q248 WeakPolarHBondContact O-CB 3.35Å; P244-Q248 VanDerWaalsContact O-CG 3.24Å; P244-Q248 WeakPolarHBondContact O-CG 3.04Å; P244-Q248 PolarHBondContact O-N 2.87Å; A245-Q248 CarbonylContact O-C 3.6Å; A245-Q248 PolarHBondContact O-N 3.01Å; Q248-M251 CarbonylContact O-C 3.35Å; Q248-R252 WeakPolarHBondContact O-CB 3.31Å; Q248-R252 WeakPolarHBondContact O-CG 3.31Å; Q248-R252 PolarHBondContact O-N 3.35Å
249E71.4Confident69Low140 Ų140100.5 Ų100.565%0.65451%0.507SS*.Hα-helixtrans-80.6-34174.9-169.9157.8-15800110.9A245 M246 M247 R252 N253A245-E249 WeakPolarHBondContact O-CB 3.33Å; A245-E249 PolarHBondContact O-N 3.36Å; M246-E249 PolarHBondContact O-N 2.91Å; M247-E249 VanDerWaalsContact C-N 3.34Å; E249-R252 PolarHBondContact O-N 2.89Å; E249-N253 WeakPolarHBondContact O-CA 3.29Å; E249-N253 WeakPolarHBondContact O-CB 3.26Å; E249-N253 PolarHBondContact O-N 3.29Å
250M68.1Low68.5Low107 Ų10799.7 Ų99.753%0.52751%0.507SS..Hα-helixtrans-65.3-41.6166.8-170.2179.2-149.200110.2L240 M246 M247 Q254L240-M250 HydrophobicContact CD1-SD 4.49Å; M246-M250 WeakPolarHBondContact O-CB 3.29Å; M246-M250 PolarHBondContact O-N 3.15Å; M247-M250 PolarHBondContact O-N 2.85Å; M250-Q254 WeakPolarHBondContact O-CA 3.14Å; M250-Q254 WeakPolarHBondContact O-CB 3.21Å; M250-Q254 PolarHBondContact O-N 3.29Å
251M59.4Low67.8Low122 Ų122100.8 Ų100.860%0.60151%0.512SS*.Hα-helixtrans-66.3-41171.5-96-175.2129.500111.3M247 Q248 D255M247-M251 VanDerWaalsContact O-CB 3.28Å; M247-M251 WeakPolarHBondContact O-CB 3.35Å; M247-M251 PolarHBondContact O-N 3.24Å; Q248-M251 CarbonylContact O-C 3.35Å; M251-D255 WeakPolarHBondContact O-CA 3.2Å; M251-D255 WeakPolarHBondContact O-CB 3.27Å; M251-D255 PolarHBondContact O-N 3.39Å
252R78.8Confident67.5Low197 Ų197104.2 Ų104.274%0.74352%0.518SS*.Hα-helixtrans-73.6-32.3178.3-80.1172.978120.71.5112.6Q248 E249 R256Q248-R252 WeakPolarHBondContact O-CB 3.31Å; Q248-R252 WeakPolarHBondContact O-CG 3.31Å; Q248-R252 PolarHBondContact O-N 3.35Å; E249-R252 PolarHBondContact O-N 2.89Å; R252-R256 WeakPolarHBondContact O-CB 3.43Å; R252-R256 PolarHBondContact O-N 3.18Å
253N76.9Confident67.5Low111 Ų111102.5 Ų102.559%0.59453%0.525SS*.Hα-helixtrans-80-38.6177.7-16723000110.1E249 R256 A257E249-N253 WeakPolarHBondContact O-CA 3.29Å; E249-N253 WeakPolarHBondContact O-CB 3.26Å; E249-N253 PolarHBondContact O-N 3.29Å; N253-R256 PolarHBondContact O-N 2.82Å; N253-A257 VanDerWaalsContact O-CB 3.27Å; N253-A257 WeakPolarHBondContact O-CB 3.36Å; N253-A257 PolarHBondContact O-N 3.49Å
254Q62.8Low67.2Low106 Ų106103.4 Ų103.450%0.49553%0.528SS..Hα-helixtrans-61.2-51.9166-167.1175.894.200108.2M250 R256 A257 L258M250-Q254 WeakPolarHBondContact O-CA 3.14Å; M250-Q254 WeakPolarHBondContact O-CB 3.21Å; M250-Q254 PolarHBondContact O-N 3.29Å; Q254-R256 VanDerWaalsContact C-N 3.33Å; Q254-R256 PolarHBondContact O-N 2.75Å; Q254-A257 CarbonylContact O-C 3.51Å; Q254-A257 VanDerWaalsContact O-C 3.29Å; Q254-A257 VanDerWaalsContact O-CA 3.29Å; Q254-A257 WeakPolarHBondContact O-CA 3.36Å; Q254-A257 VanDerWaalsContact O-CB 3.31Å; Q254-A257 WeakPolarHBondContact O-CB 3.14Å; Q254-A257 PolarHBondContact O-N 3.01Å; Q254-L258 HydrophobicContact CG-CD1 4.42Å; Q254-L258 HydrophobicContact CG-CD2 4.15Å; Q254-L258 HydrophobicContact CG-CG 4.14Å; Q254-L258 WeakPolarHBondContact O-CB 3.33Å; Q254-L258 WeakPolarHBondContact O-CG 3.31Å; Q254-L258 PolarHBondContact O-N 3.31Å
255D68.6Low65.8Low103 Ų103105.7 Ų105.755%0.55154%0.543SS*.Hα-helixtrans-60-35.3178.2-165-100.7000113M251 L258 S259M251-D255 WeakPolarHBondContact O-CA 3.2Å; M251-D255 WeakPolarHBondContact O-CB 3.27Å; M251-D255 PolarHBondContact O-N 3.39Å; D255-L258 CarbonylContact O-C 3.54Å; D255-L258 WeakPolarHBondContact O-CB 3.31Å; D255-L258 PolarHBondContact O-N 3.36Å; D255-S259 VanDerWaalsContact O-CB 3.31Å; D255-S259 WeakPolarHBondContact O-CB 2.94Å; D255-S259 PolarHBondContact O-N 3.41Å
256R74.8Confident65.2Low188 Ų188105.7 Ų105.771%0.70955%0.549SS*.Hα-helixtrans-70.7-36.5171.3-161.9175.9-159.9-1273112.1R252 N253 Q254 L258 N260R252-R256 WeakPolarHBondContact O-CB 3.43Å; R252-R256 PolarHBondContact O-N 3.18Å; N253-R256 PolarHBondContact O-N 2.82Å; Q254-R256 VanDerWaalsContact C-N 3.33Å; Q254-R256 PolarHBondContact O-N 2.75Å; R256-L258 VanDerWaalsContact C-N 3.34Å; R256-N260 WeakPolarHBondContact O-CB 3.22Å; R256-N260 PolarHBondContact O-N 3.17Å; R256-N260 VanDerWaalsContact O-N 3.08Å
257A62.8Low64.8Low44 Ų44101.7 Ų101.736%0.36453%0.53SS..Hα-helixtrans-71.1-29.7169.300000111.8N253 Q254 N260 L261N253-A257 VanDerWaalsContact O-CB 3.27Å; N253-A257 WeakPolarHBondContact O-CB 3.36Å; N253-A257 PolarHBondContact O-N 3.49Å; Q254-A257 CarbonylContact O-C 3.51Å; Q254-A257 VanDerWaalsContact O-C 3.29Å; Q254-A257 VanDerWaalsContact O-CA 3.29Å; Q254-A257 WeakPolarHBondContact O-CA 3.36Å; Q254-A257 VanDerWaalsContact O-CB 3.31Å; Q254-A257 WeakPolarHBondContact O-CB 3.14Å; Q254-A257 PolarHBondContact O-N 3.01Å; A257-N260 CarbonylContact O-C 3.57Å; A257-N260 PolarHBondContact O-N 3.16Å; A257-L261 WeakPolarHBondContact O-CB 3.24Å; A257-L261 VanDerWaalsContact O-CD1 3.31Å; A257-L261 WeakPolarHBondContact O-CD1 3.43Å; A257-L261 VanDerWaalsContact O-CG 3.26Å; A257-L261 WeakPolarHBondContact O-CG 3.35Å; A257-L261 PolarHBondContact O-N 3.25Å
258L57.2Low64.7Low43 Ų43102.9 Ų102.923%0.22553%0.53CS..Hα-helixtrans-73.9-39.8176.5-65.8-167.3000109.6Q254 D255 R256 N260 L261 E262 L271Q254-L258 HydrophobicContact CG-CD1 4.42Å; Q254-L258 HydrophobicContact CG-CD2 4.15Å; Q254-L258 HydrophobicContact CG-CG 4.14Å; Q254-L258 WeakPolarHBondContact O-CB 3.33Å; Q254-L258 WeakPolarHBondContact O-CG 3.31Å; Q254-L258 PolarHBondContact O-N 3.31Å; D255-L258 CarbonylContact O-C 3.54Å; D255-L258 WeakPolarHBondContact O-CB 3.31Å; D255-L258 PolarHBondContact O-N 3.36Å; R256-L258 VanDerWaalsContact C-N 3.34Å; L258-N260 VanDerWaalsContact C-N 3.35Å; L258-L261 CarbonylContact O-C 3.59Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-L261 VanDerWaalsContact O-N 3.1Å; L258-E262 WeakPolarHBondContact O-CA 3.29Å; L258-E262 WeakPolarHBondContact O-CB 3.01Å; L258-E262 PolarHBondContact O-N 2.91Å; L258-L271 HydrophobicContact CB-CD2 4Å; L258-L271 HydrophobicContact CD1-CD2 3.74Å; L258-L271 HydrophobicContact CD1-CG 4.46Å; L258-L271 HydrophobicContact CD2-CD1 3.81Å; L258-L271 HydrophobicContact CD2-CD2 3.66Å; L258-L271 HydrophobicContact CD2-CG 3.58Å; L258-L271 HydrophobicContact CG-CD2 3.94Å; L258-L271 HydrophobicContact CG-CG 4.41Å
259S61.9Low64.1Low77 Ų77102.2 Ų102.254%0.53853%0.53SS..Hα-helixtrans-67.3-36.4173.1-172.40000111.4D255 L261 S263D255-S259 VanDerWaalsContact O-CB 3.31Å; D255-S259 WeakPolarHBondContact O-CB 2.94Å; D255-S259 PolarHBondContact O-N 3.41Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-S263 WeakPolarHBondContact O-CB 3.28Å; S259-S263 PolarHBondContact O-N 3.38Å; S259-S263 VanDerWaalsContact O-N 3.1Å; S259-S263 PolarHBondContact O-OG 3Å
260N63.8Low63.8Low105 Ų10598 Ų9856%0.56152%0.519SS*.Hα-helixtrans-72.2-22.6168.9-83.2-25.5000113.7R256 A257 L258 S263 I264R256-N260 WeakPolarHBondContact O-CB 3.22Å; R256-N260 PolarHBondContact O-N 3.17Å; R256-N260 VanDerWaalsContact O-N 3.08Å; A257-N260 CarbonylContact O-C 3.57Å; A257-N260 PolarHBondContact O-N 3.16Å; L258-N260 VanDerWaalsContact C-N 3.35Å; N260-S263 WeakPolarHBondContact CA-OG 3.47Å; N260-S263 PolarHBondContact O-OG 3.29Å; N260-S263 VanDerWaalsContact O-OG 3.06Å; N260-I264 WeakPolarHBondContact O-CD1 3.49Å; N260-I264 VanDerWaalsContact O-CG1 3.31Å; N260-I264 WeakPolarHBondContact O-CG1 3.12Å
261L57.7Low63.3Low69 Ų6994.4 Ų94.436%0.36150%0.502SS..Hα-helixtrans-90.1-26.7174.5-84.9156.6000112.2A257 L258 S259 I264 G267 L271A257-L261 WeakPolarHBondContact O-CB 3.24Å; A257-L261 VanDerWaalsContact O-CD1 3.31Å; A257-L261 WeakPolarHBondContact O-CD1 3.43Å; A257-L261 VanDerWaalsContact O-CG 3.26Å; A257-L261 WeakPolarHBondContact O-CG 3.35Å; A257-L261 PolarHBondContact O-N 3.25Å; L258-L261 CarbonylContact O-C 3.59Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-L261 VanDerWaalsContact O-N 3.1Å; S259-L261 VanDerWaalsContact C-N 3.35Å; L261-I264 HydrophobicContact CD2-CD1 4.33Å; L261-I264 WeakPolarHBondContact O-CB 3.25Å; L261-I264 PolarHBondContact O-N 3.35Å; L261-I264 VanDerWaalsContact O-O 3.1Å; L261-G267 WeakPolarHBondContact O-CA 3.41Å; L261-L271 HydrophobicContact CB-CD1 3.97Å
262E60.8Low63Low131 Ų13195.2 Ų95.261%0.61250%0.498SS*.Hα-helixtrans-78.8-29.1177.2-166.8175.8121.600110.7L258 I264L258-E262 WeakPolarHBondContact O-CA 3.29Å; L258-E262 WeakPolarHBondContact O-CB 3.01Å; L258-E262 PolarHBondContact O-N 2.91Å; E262-I264 PolarHBondContact O-N 2.94Å
263S70.2Confident62Low84 Ų8494 Ų9459%0.58749%0.494SS*.SBendtrans-71.2-10.2165.4510000113.4S259 N260S259-S263 WeakPolarHBondContact O-CB 3.28Å; S259-S263 PolarHBondContact O-N 3.38Å; S259-S263 VanDerWaalsContact O-N 3.1Å; S259-S263 PolarHBondContact O-OG 3Å; N260-S263 WeakPolarHBondContact CA-OG 3.47Å; N260-S263 PolarHBondContact O-OG 3.29Å; N260-S263 VanDerWaalsContact O-OG 3.06Å
264I62.4Low61Low93 Ų9394.9 Ų94.948%0.47750%0.496SS..SBendtrans-92.6119.8172.3-63167.6000108.8N260 L261 E262 G266 G267N260-I264 WeakPolarHBondContact O-CD1 3.49Å; N260-I264 VanDerWaalsContact O-CG1 3.31Å; N260-I264 WeakPolarHBondContact O-CG1 3.12Å; L261-I264 HydrophobicContact CD2-CD1 4.33Å; L261-I264 WeakPolarHBondContact O-CB 3.25Å; L261-I264 PolarHBondContact O-N 3.35Å; L261-I264 VanDerWaalsContact O-O 3.1Å; E262-I264 PolarHBondContact O-N 2.94Å; I264-G266 PolarHBondContact O-N 2.7Å; I264-G267 PolarHBondContact O-N 2.83Å
265P43.1Very low60.4Low132 Ų13296.9 Ų96.986%0.85750%0.5SS*.THydrogen-bonded Turntrans-58.8116.2178.720.5-29.5000110.5
266G60.9Low59.8Low52 Ų5294.9 Ų94.954%0.53649%0.491SS..THydrogen-bonded Turntrans102.5-8.4-176.300000115.8I264 Y268 N269I264-G266 PolarHBondContact O-N 2.7Å; G266-Y268 PolarHBondContact O-N 3.39Å; G266-N269 PolarHBondContact O-N 3.29Å; G266-N269 VanDerWaalsContact O-N 3.17Å
267G62.8Low58.8Low4 Ų491.2 Ų91.24%0.04149%0.486CS..Hα-helixtrans-64.4-26.7178.300000114L261 I264 N269 A270 L271L261-G267 WeakPolarHBondContact O-CA 3.41Å; I264-G267 PolarHBondContact O-N 2.83Å; G267-N269 VanDerWaalsContact C-N 3.25Å; G267-N269 PolarHBondContact O-N 2.94Å; G267-A270 WeakPolarHBondContact O-CA 3.36Å; G267-A270 WeakPolarHBondContact O-CB 3.36Å; G267-A270 PolarHBondContact O-N 3.48Å; G267-L271 WeakPolarHBondContact O-CD1 3.39Å; G267-L271 PolarHBondContact O-N 3.44Å
268Y59Low58.3Low127 Ų12794.5 Ų94.550%0.49850%0.496SS..Hα-helixtrans-61-29.4174.3-162.5-108000113.5G266 R272G266-Y268 PolarHBondContact O-N 3.39Å; Y268-R272 VanDerWaalsContact CE1-CZ 3.4Å; Y268-R272 WeakPolarHBondContact O-CB 3.46Å; Y268-R272 VanDerWaalsContact O-CG 3.32Å; Y268-R272 WeakPolarHBondContact O-CG 3.44Å; Y268-R272 PolarHBondContact O-N 2.87Å; Y268-R272 PolarHBondContact OH-NH2 2.97Å
269N62.7Low57.8Low112 Ų11296.4 Ų96.460%0.59950%0.504SS*.Hα-helixtrans-77.2-28.9172.8-87.6-47.6000112.8G266 G267 R273G266-N269 PolarHBondContact O-N 3.29Å; G266-N269 VanDerWaalsContact O-N 3.17Å; G267-N269 VanDerWaalsContact C-N 3.25Å; G267-N269 PolarHBondContact O-N 2.94Å; N269-R273 PolarHBondContact O-N 2.87Å; N269-R273 VanDerWaalsContact O-N 3.15Å
270A65.1Low57.1Low52 Ų5297.8 Ų97.843%0.4350%0.502SS..Hα-helixtrans-74.9-37.4174.400000111.3G267 R273 M274G267-A270 WeakPolarHBondContact O-CA 3.36Å; G267-A270 WeakPolarHBondContact O-CB 3.36Å; G267-A270 PolarHBondContact O-N 3.48Å; A270-R273 PolarHBondContact O-N 2.95Å; A270-M274 WeakPolarHBondContact O-CG 3.32Å; A270-M274 PolarHBondContact O-N 3.38Å
271L58.6Low56.2Low31 Ų3196.4 Ų96.416%0.16250%0.499CS..Hα-helixtrans-64.9-44.7171.6-92.779.8000112.1L258 L261 G267 R273 M274 Y275L258-L271 HydrophobicContact CB-CD2 4Å; L258-L271 HydrophobicContact CD1-CD2 3.74Å; L258-L271 HydrophobicContact CD1-CG 4.46Å; L258-L271 HydrophobicContact CD2-CD1 3.81Å; L258-L271 HydrophobicContact CD2-CD2 3.66Å; L258-L271 HydrophobicContact CD2-CG 3.58Å; L258-L271 HydrophobicContact CG-CD2 3.94Å; L258-L271 HydrophobicContact CG-CG 4.41Å; L261-L271 HydrophobicContact CB-CD1 3.97Å; G267-L271 WeakPolarHBondContact O-CD1 3.39Å; G267-L271 PolarHBondContact O-N 3.44Å; L271-R273 VanDerWaalsContact C-N 3.27Å; L271-R273 PolarHBondContact O-N 3.5Å; L271-M274 PolarHBondContact O-N 3.06Å; L271-M274 VanDerWaalsContact O-N 3.16Å; L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 3.47Å
272R52.9Low56Low138 Ų138100.5 Ų100.552%0.52152%0.518SS..Hα-helixtrans-60.6-38.8175.8-78.2-179.1177.5-142.3-1.2111.5Y268 Y275 T276Y268-R272 VanDerWaalsContact CE1-CZ 3.4Å; Y268-R272 WeakPolarHBondContact O-CB 3.46Å; Y268-R272 VanDerWaalsContact O-CG 3.32Å; Y268-R272 WeakPolarHBondContact O-CG 3.44Å; Y268-R272 PolarHBondContact O-N 2.87Å; Y268-R272 PolarHBondContact OH-NH2 2.97Å; R272-Y275 PolarHBondContact O-N 2.95Å; R272-T276 WeakPolarHBondContact O-CB 3.43Å; R272-T276 WeakPolarHBondContact O-CG2 3.23Å; R272-T276 PolarHBondContact O-N 3.17Å; R272-T276 PolarHBondContact O-OG1 3.4Å
273R58.1Low55.5Low173 Ų173101 Ų10165%0.65352%0.518SS*.Hα-helixtrans-64.5-43.7171-93.5-177.5173.1128.1-1.7113.3N269 A270 L271 Y275 T276 D277N269-R273 PolarHBondContact O-N 2.87Å; N269-R273 VanDerWaalsContact O-N 3.15Å; A270-R273 PolarHBondContact O-N 2.95Å; L271-R273 VanDerWaalsContact C-N 3.27Å; L271-R273 PolarHBondContact O-N 3.5Å; R273-Y275 VanDerWaalsContact C-N 3.28Å; R273-Y275 PolarHBondContact O-N 2.81Å; R273-T276 WeakPolarHBondContact CA-OG1 3.45Å; R273-T276 PolarHBondContact O-N 3.1Å; R273-D277 WeakPolarHBondContact O-CA 3.21Å; R273-D277 WeakPolarHBondContact O-CB 3.46Å; R273-D277 PolarHBondContact O-N 3.5Å
274M54.4Low54.7Low128 Ų12899.4 Ų99.463%0.63151%0.507SS*.Hα-helixtrans-61.4-37.4173.9-76.4-76.3-158.200112.2A270 L271 I278A270-M274 WeakPolarHBondContact O-CG 3.32Å; A270-M274 PolarHBondContact O-N 3.38Å; L271-M274 PolarHBondContact O-N 3.06Å; L271-M274 VanDerWaalsContact O-N 3.16Å; M274-I278 WeakPolarHBondContact O-CB 3.49Å; M274-I278 PolarHBondContact O-N 3.26Å; M274-I278 HydrophobicContact SD-CD1 3.5Å; M274-I278 WeakPolarHBondContact SD-CD1 3.04Å
275Y50.3Low54Low149 Ų14997.4 Ų97.458%0.58450%0.504SS*.Iπ-helixtrans-73.7-35.3177.8-152.1-87.8000112.5L271 R272 R273 Q279 E280L271-Y275 WeakPolarHBondContact O-CB 3.48Å; L271-Y275 PolarHBondContact O-N 3.47Å; R272-Y275 PolarHBondContact O-N 2.95Å; R273-Y275 VanDerWaalsContact C-N 3.28Å; R273-Y275 PolarHBondContact O-N 2.81Å; Y275-Q279 WeakPolarHBondContact O-CB 3.49Å; Y275-Q279 PolarHBondContact O-N 3.25Å; Y275-E280 PolarHBondContact O-N 3.35Å; Y275-E280 VanDerWaalsContact O-N 3.14Å
276T56.3Low54.2Low60 Ų6093.4 Ų93.437%0.36848%0.483SS..Iπ-helixtrans-86.4-35.3-179.945.20000113.5R272 R273 E280R272-T276 WeakPolarHBondContact O-CB 3.43Å; R272-T276 WeakPolarHBondContact O-CG2 3.23Å; R272-T276 PolarHBondContact O-N 3.17Å; R272-T276 PolarHBondContact O-OG1 3.4Å; R273-T276 WeakPolarHBondContact CA-OG1 3.45Å; R273-T276 PolarHBondContact O-N 3.1Å; T276-E280 WeakPolarHBondContact CA-OE2 3.4Å; T276-E280 VanDerWaalsContact CB-OE2 3.25Å; T276-E280 WeakPolarHBondContact CB-OE2 3.44Å; T276-E280 VanDerWaalsContact CG2-OE2 3.24Å; T276-E280 WeakPolarHBondContact CG2-OE2 3.43Å; T276-E280 WeakPolarHBondContact O-CB 3.15Å
277D53.1Low53.8Low112 Ų11299.6 Ų99.660%0.59949%0.49SS*.Iπ-helixtrans-85.4-25.5-178-74.6-57000113.6R273R273-D277 WeakPolarHBondContact O-CA 3.21Å; R273-D277 WeakPolarHBondContact O-CB 3.46Å; R273-D277 PolarHBondContact O-N 3.5Å
278I53.8Low53.4Low113 Ų113107 Ų10758%0.57952%0.523SS*.Iπ-helixtrans-116.7-40.2-172.9-59.3172.5000112.5M274M274-I278 WeakPolarHBondContact O-CB 3.49Å; M274-I278 PolarHBondContact O-N 3.26Å; M274-I278 HydrophobicContact SD-CD1 3.5Å; M274-I278 WeakPolarHBondContact SD-CD1 3.04Å
279Q46.7Very low52.9Low82 Ų82106.2 Ų106.238%0.38352%0.524SS..Iπ-helixtrans-90.9-32.5-175.7-164.5171.6-3.200112.7Y275 M282 F283Y275-Q279 WeakPolarHBondContact O-CB 3.49Å; Y275-Q279 PolarHBondContact O-N 3.25Å; Q279-M282 PolarHBondContact O-N 2.99Å; Q279-F283 WeakPolarHBondContact O-CB 3.5Å; Q279-F283 PolarHBondContact O-N 3.31Å
280E46Very low52.2Low106 Ų106106.5 Ų106.550%0.49552%0.521SS..Hα-helixtrans-66.4-37.2178.2-141.6170.9-166.100115.2Y275 T276 M282 F283 S284Y275-E280 PolarHBondContact O-N 3.35Å; Y275-E280 VanDerWaalsContact O-N 3.14Å; T276-E280 WeakPolarHBondContact CA-OE2 3.4Å; T276-E280 VanDerWaalsContact CB-OE2 3.25Å; T276-E280 WeakPolarHBondContact CB-OE2 3.44Å; T276-E280 VanDerWaalsContact CG2-OE2 3.24Å; T276-E280 WeakPolarHBondContact CG2-OE2 3.43Å; T276-E280 WeakPolarHBondContact O-CB 3.15Å; E280-M282 PolarHBondContact O-N 2.75Å; E280-F283 PolarHBondContact O-N 3.22Å; E280-S284 WeakPolarHBondContact O-CA 3.13Å; E280-S284 WeakPolarHBondContact O-CB 3.38Å; E280-S284 PolarHBondContact O-N 3.16Å
281P44.7Very low51.1Low77 Ų77106.2 Ų106.250%0.552%0.522SS..Hα-helixtrans-65.1-29.9174.421.7-30.9000112.3A285P281-A285 VanDerWaalsContact O-CB 3.22Å; P281-A285 WeakPolarHBondContact O-CB 3.49Å; P281-A285 PolarHBondContact O-N 3.03Å
282M53.8Low50.4Low154 Ų154109.7 Ų109.776%0.75955%0.549SS*.Hα-helixtrans-77.9-39.8176.2-154.7-152.3-75.400112.1Q279 E280 A286Q279-M282 PolarHBondContact O-N 2.99Å; E280-M282 PolarHBondContact O-N 2.75Å; M282-A286 WeakPolarHBondContact O-CB 3.28Å; M282-A286 PolarHBondContact O-N 2.76Å; M282-A286 VanDerWaalsContact O-N 3.11Å
283F50Low49.9Very low141 Ų141108.3 Ų108.362%0.61855%0.552SS**Hα-helixtrans-81.6-27.8-179-145.4-95.7000113Q279 E280 R287Q279-F283 WeakPolarHBondContact O-CB 3.5Å; Q279-F283 PolarHBondContact O-N 3.31Å; E280-F283 PolarHBondContact O-N 3.22Å; F283-R287 WeakPolarHBondContact O-CB 3.15Å; F283-R287 PolarHBondContact O-N 3.46Å
284S53.1Low49.7Very low51 Ų51105.3 Ų105.336%0.35756%0.555SS.*Hα-helixtrans-71.8-42.2171.1-169.70000110.6E280 A286 R287 E288E280-S284 WeakPolarHBondContact O-CA 3.13Å; E280-S284 WeakPolarHBondContact O-CB 3.38Å; E280-S284 PolarHBondContact O-N 3.16Å; S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 3.22Å; S284-R287 PolarHBondContact O-N 2.97Å; S284-E288 WeakPolarHBondContact O-CB 2.93Å; S284-E288 VanDerWaalsContact O-CG 3.29Å; S284-E288 WeakPolarHBondContact O-CG 3.37Å; S284-E288 PolarHBondContact O-N 3.48Å
285A48.5Very low49.1Very low51 Ų51107.9 Ų107.942%0.42156%0.563SS.*Hα-helixtrans-63.8-35.2173.300000112.3P281 Q289P281-A285 VanDerWaalsContact O-CB 3.22Å; P281-A285 WeakPolarHBondContact O-CB 3.49Å; P281-A285 PolarHBondContact O-N 3.03Å; A285-Q289 PolarHBondContact O-N 3.33Å
286A46.8Very low48.8Very low49 Ų49105.3 Ų105.341%0.40557%0.567SS.*Hα-helixtrans-69.7-43.1171.600000111.9M282 S284 Q289 F290M282-A286 WeakPolarHBondContact O-CB 3.28Å; M282-A286 PolarHBondContact O-N 2.76Å; M282-A286 VanDerWaalsContact O-N 3.11Å; S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 3.22Å; A286-Q289 PolarHBondContact O-N 3.14Å; A286-F290 VanDerWaalsContact O-CB 3.26Å; A286-F290 WeakPolarHBondContact O-CB 3.35Å; A286-F290 PolarHBondContact O-N 2.99Å
287R52.6Low48.4Very low182 Ų182106.8 Ų106.869%0.68759%0.585SS**Hα-helixtrans-73.5-26.3-179.4-170.8170.2179.7142.2-0.6113.6F283 S284 G291F283-R287 WeakPolarHBondContact O-CB 3.15Å; F283-R287 PolarHBondContact O-N 3.46Å; S284-R287 PolarHBondContact O-N 2.97Å; R287-G291 WeakPolarHBondContact O-CA 2.88Å; R287-G291 PolarHBondContact O-N 3.48Å
288E55.2Low48.2Very low158 Ų158109.1 Ų109.174%0.73860%0.597SS**Hα-helixtrans-80.4-21.6174.8-70.8179.912800112.5S284S284-E288 WeakPolarHBondContact O-CB 2.93Å; S284-E288 VanDerWaalsContact O-CG 3.29Å; S284-E288 WeakPolarHBondContact O-CG 3.37Å; S284-E288 PolarHBondContact O-N 3.48Å
289Q48.5Very low47.8Very low111 Ų111106.9 Ų106.952%0.51960%0.602SS.*Hα-helixtrans-98.8-23.4174.3-157.7174.8-78.600113.6A285 A286A285-Q289 PolarHBondContact O-N 3.33Å; A286-Q289 PolarHBondContact O-N 3.14Å
290F48.1Very low47.4Very low119 Ų119106.5 Ų106.552%0.52262%0.62SS.*Hα-helixtrans-110.4-3.5176.6-96.7-97.4000114.9M179 A286 S292M179-F290 HydrophobicContact CB-CE1 4.44Å; M179-F290 HydrophobicContact CB-CZ 4Å; M179-F290 HydrophobicContact CE-CE2 4.29Å; M179-F290 HydrophobicContact CG-CZ 4.26Å; M179-F290 HydrophobicContact SD-CD2 4.49Å; M179-F290 HydrophobicContact SD-CE1 4.43Å; M179-F290 HydrophobicContact SD-CE2 3.28Å; M179-F290 WeakPolarHBondContact SD-CE2 3.13Å; M179-F290 HydrophobicContact SD-CZ 3.25Å; M179-F290 WeakPolarHBondContact SD-CZ 3.31Å; A286-F290 VanDerWaalsContact O-CB 3.26Å; A286-F290 WeakPolarHBondContact O-CB 3.35Å; A286-F290 PolarHBondContact O-N 2.99Å; F290-S292 PolarHBondContact O-N 2.57Å
291G41.6Very low47Very low45 Ų45108.8 Ų108.846%0.46464%0.635SS.*  trans-81.111.7-178.700000115.5R287 N293R287-G291 WeakPolarHBondContact O-CA 2.88Å; R287-G291 PolarHBondContact O-N 3.48Å; G291-N293 PolarHBondContact O-N 2.83Å
292S45Very low46.4Very low104 Ų104110.4 Ų110.473%0.72765%0.648SS**  trans-76.674.9164.2-42.90000109.2F290 P294F290-S292 PolarHBondContact O-N 2.57Å; S292-P294 WeakPolarHBondContact O-CD 3.47Å
293N42.4Very low45.7Very low109 Ų109110.5 Ų110.558%0.58365%0.652SS**  trans-57.2115173.1-90.6-1000110.3G291 F295 S296G291-N293 PolarHBondContact O-N 2.83Å; N293-F295 PolarHBondContact O-N 3.39Å; N293-S296 PolarHBondContact O-N 3.15Å; N293-S296 VanDerWaalsContact O-N 3.11Å
294P52.5Low44.9Very low111 Ų111109 Ų10972%0.72166%0.659SS**G310 helixtrans-72.2-12.5176.430.4-34.2000112.7S292 S296 A297S292-P294 WeakPolarHBondContact O-CD 3.47Å; P294-S296 VanDerWaalsContact C-N 3.31Å; P294-A297 PolarHBondContact O-N 3.4Å
295F41.9Very low44.6Very low181 Ų181110.8 Ų110.879%0.79469%0.685SS**G310 helixtrans-75.3-15.6170-92.3-85.5000113.6N293 A297N293-F295 PolarHBondContact O-N 3.39Å; F295-A297 PolarHBondContact O-N 3.38Å
296S44.2Very low44.1Very low95 Ų95113 Ų11366%0.66470%0.704SS**G310 helixtrans-75.1-9.2171.9-89.70000113.4N293 P294 L298N293-S296 PolarHBondContact O-N 3.15Å; N293-S296 VanDerWaalsContact O-N 3.11Å; P294-S296 VanDerWaalsContact C-N 3.31Å; S296-L298 VanDerWaalsContact C-N 3.32Å
297A47.3Very low43.9Very low91 Ų91119.1 Ų119.175%0.75272%0.724SS**G310 helixtrans-83.8-4.6175.500000113.8P294 F295P294-A297 PolarHBondContact O-N 3.4Å; F295-A297 PolarHBondContact O-N 3.38Å
298L49Very low43.5Very low161 Ų161116 Ų11684%0.84373%0.727SS**SBendtrans-112.74178.5-145.979.8000113.7S296S296-L298 VanDerWaalsContact C-N 3.32Å
299G45.6Very low43.1Very low67 Ų67113.9 Ų113.969%0.69173%0.73SS**  trans-107.456.3176.400000111.2
300G37.8Very low43.2Very low73 Ų73120.4 Ų120.475%0.75375%0.75SS**  trans-70128.8176.500000111.9
301N38Very low43.4Very low154 Ų154120.5 Ų120.582%0.82476%0.76SS**  trans86.194.9152.1-145.674.8000118.1
302S32.2Very low43.8Very low111 Ų111126.7 Ų126.778%0.77678%0.777SS**  -178.6132.8116.8-73.40000112.2
303D39.3Very low44Very low157 Ų157127.9 Ų127.984%0.8478%0.775SS**  trans-52.4129.7169-174.5-109.3000112.7
304S33.4Very low44.5Very low110 Ų110133.8 Ų133.877%0.76979%0.789SS**  trans173.6124.9149.6-78.40000110.8A306S304-A306 PolarHBondContact O-N 2.84Å
305G47Very low44.6Very low87 Ų87136 Ų13690%0.89779%0.79SS**  trans-61.4131.2176.500000113.2
306A38Very low45.3Very low98 Ų98133.1 Ų133.181%0.8179%0.79SS**  trans-149.1114.316500000110.9S304S304-A306 PolarHBondContact O-N 2.84Å
307Q41.4Very low46.6Very low178 Ų178135.9 Ų135.983%0.83280%0.796SS**  trans-19.9138.1158.7-148.5156.3-95.600115.5S309Q307-S309 PolarHBondContact O-N 3.05Å
308P44.7Very low47.1Very low115 Ų115137.1 Ų137.175%0.74780%0.797SS**  trans-67.6123.1171.527.7-31.2000109.2R310P308-R310 VanDerWaalsContact C-N 3.35Å; P308-R310 PolarHBondContact O-N 2.89Å
309S46.5Very low47.4Very low114 Ų114134.9 Ų134.980%0.79779%0.786SS**  trans-57.386.8-177.8-51.90000112.5Q307 T311Q307-S309 PolarHBondContact O-N 3.05Å; S309-T311 VanDerWaalsContact C-N 3.28Å; S309-T311 PolarHBondContact O-N 3.25Å
310R51Low48Very low248 Ų248136.9 Ų136.994%0.93679%0.786SS**  trans-79.181.5154.2-74.6-172.3176.4-157.70.6108P308P308-R310 VanDerWaalsContact C-N 3.35Å; P308-R310 PolarHBondContact O-N 2.89Å
311T53Low49.1Very low122 Ų122144.6 Ų144.675%0.74879%0.793SS**  trans-123.5102.4164-18.10000106.3S309 N313S309-T311 VanDerWaalsContact C-N 3.28Å; S309-T311 PolarHBondContact O-N 3.25Å; T311-N313 PolarHBondContact O-N 3.33Å
312E50.4Low50.1Low175 Ų175139 Ų13982%0.81877%0.771SS**  trans-57.6127.9169.5-84.817413200108.8R314E312-R314 PolarHBondContact O-N 2.9Å
313N48.2Very low51.4Low129 Ų129139.5 Ų139.569%0.6977%0.772SS**  trans-62.3106.1174.6-159.512.9000108.3T311T311-N313 PolarHBondContact O-N 3.33Å
314R54.1Low52Low232 Ų232138 Ų13888%0.87577%0.771SS**  trans-953.7-177.4-90.7-172.1168.1-159-2.7113.7E312E312-R314 PolarHBondContact O-N 2.9Å
315E54.5Low52.4Low157 Ų157140 Ų14073%0.73477%0.773SS**SBendtrans-90.2119.9172.8-78.816998.200109.4L317E315-L317 PolarHBondContact O-N 2.72Å
316P56.4Low52Low122 Ų122141.4 Ų141.479%0.79277%0.769SS**PPolyproline II helixtrans-63125.9173.325.9-31.1000108.5
317L71.1Confident51.9Low153 Ų153142 Ų14280%0.80177%0.767SS**PPolyproline II helixtrans-53.7139174.3-71.1150.3000109.6E315 N319E315-L317 PolarHBondContact O-N 2.72Å; L317-N319 PolarHBondContact O-N 3.09Å
318P58.2Low51.6Low117 Ų117141 Ų14176%0.7677%0.768SS**PPolyproline II helixtrans-62.6134.1-179.224.8-32.9000110.9P320P318-P320 WeakPolarHBondContact O-CD 3.41Å
319N55.4Low51.2Low114 Ų114141.1 Ų141.161%0.6177%0.768SS**PPolyproline II helixtrans-67.8116.6-179.1-179.59.6000110.9L317 W321 G322L317-N319 PolarHBondContact O-N 3.09Å; N319-W321 PolarHBondContact O-N 3.46Å; N319-W321 VanDerWaalsContact O-N 3.17Å; N319-W321 PolarHBondContact OD1-N 2.75Å; N319-G322 PolarHBondContact O-N 3.44Å
320P57.3Low50.4Low109 Ų109141.9 Ų141.971%0.70877%0.774SS**THydrogen-bonded Turntrans-74.2-1.7-176.331-36.1000114.4P318P318-P320 WeakPolarHBondContact O-CD 3.41Å
321W60.5Low49.5Very low235 Ų235138.9 Ų138.989%0.8977%0.77SS**THydrogen-bonded Turntrans-115.615.1175.6-60.1-45.5000113.9N319N319-W321 PolarHBondContact O-N 3.46Å; N319-W321 VanDerWaalsContact O-N 3.17Å; N319-W321 PolarHBondContact OD1-N 2.75Å
322G59.3Low48.3Very low36 Ų36138.4 Ų138.437%0.37177%0.772SS.*SBendtrans-81.3151.1168.100000112N319N319-G322 PolarHBondContact O-N 3.44Å
323P60.6Low47.3Very low121 Ų121133.9 Ų133.979%0.78677%0.772SS**  trans-60.9141.1170.326.7-32.6000109.9N325P323-N325 PolarHBondContact O-N 3.03Å
324P50.2Low46.4Very low127 Ų127131.9 Ų131.983%0.82578%0.783SS**  trans-66.4110.9-174.426.4-33.1000110S326P324-S326 PolarHBondContact O-N 3.17Å
325N41.8Very low45.2Very low151 Ų151124.7 Ų124.781%0.80778%0.781SS**  trans-87107.3175.4-163.858.8000109.3P323 S327P323-N325 PolarHBondContact O-N 3.03Å; N325-S327 PolarHBondContact O-N 3.33Å
326S40.4Very low43.8Very low116 Ų116123.4 Ų123.481%0.81178%0.784SS**  trans-69.9103.4175.8-50.10000110.6P324P324-S326 PolarHBondContact O-N 3.17Å
327S35.7Very low42.4Very low111 Ų111124.5 Ų124.578%0.77679%0.788SS**  trans-90.2104.8170.853.60000110.6N325N325-S327 PolarHBondContact O-N 3.33Å
328N33.5Very low40.4Very low157 Ų157121 Ų12184%0.8479%0.79SS**  trans-80.5134.1161.9-132.540.4000108.4
329P38Very low39Very low117 Ų117120.9 Ų120.976%0.7679%0.791SS**  trans-81.1135.7171.929.6-26.1000110.4
330S29.5Very low37.6Very low131 Ų131121.1 Ų121.192%0.91680%0.797SS**  trans-84.2113.1179-160.20000109.5
331E30.9Very low36.2Very low184 Ų184120.8 Ų120.886%0.8680%0.797SS**  trans-103.3141.5167.1-153.7172.6134.700109.9
332S29.1Very low34.6Very low112 Ų112115.8 Ų115.878%0.78379%0.793SS**  trans-72.4136.9-172.846.70000114.2
333G28.7Very low33.2Very low80 Ų80120.2 Ų120.283%0.82582%0.818SS**  trans88.1105.4136.400000119
334G28.5Very low31.8Very low88 Ų88118.4 Ų118.491%0.90782%0.821SS**  trans82.7122.6132.900000118.9
335G29.1Very low31Very low81 Ų81118.8 Ų118.884%0.83582%0.822SS**  trans149.1118.1158.200000114.8
336T26.5Very low30.5Very low130 Ų130118.3 Ų118.380%0.79882%0.824SS**  trans-83.7151.7-175.247.80000114.3
337T25.6Very low30.4Very low145 Ų145119.5 Ų119.589%0.8982%0.821SS**  trans64.1124.9150.555.50000121.1
338G29.7Very low30.7Very low80 Ų80119.7 Ų119.783%0.82582%0.82SS**  trans154.294.4153.100000119.1
339S29Very low30.9Very low113 Ų113117.1 Ų117.179%0.7982%0.815SS**  trans33.4125.7141.2-146.20000125.4
340T24.6Very low30.6Very low119 Ų119118.6 Ų118.673%0.7382%0.821SS**  56.9124.1127.7-46.10000124.1
341S29.8Very low30.8Very low103 Ų103117.7 Ų117.772%0.7282%0.815SS**  158108.1126.939.40000111.7
342T26.3Very low31.8Very low129 Ų129116.3 Ų116.379%0.79181%0.813SS**  77.713190.149.20000119.3
343S29.7Very low32.4Very low130 Ų130116.7 Ų116.791%0.90981%0.813SS**  trans95.6129161.2-500000116.6
344G30.4Very low32.7Very low82 Ų82121 Ų12185%0.84582%0.816SS**  cis157.3115.53.600000109.7
345T34.8Very low33.8Very low136 Ų136120.6 Ų120.683%0.83481%0.811SS**  trans-80151-178.4-450000112.4
346T31.2Very low34.3Very low140 Ų140123.9 Ų123.986%0.85982%0.815SS**  174.9137.3129.637.50000114.5
347N37.4Very low35.1Very low141 Ų141123.6 Ų123.675%0.75481%0.809SS**  trans-98.4157166-178.555000108.9
348P41.8Very low35.8Very low116 Ų116122.2 Ų122.275%0.75380%0.802SS**  trans-138.6149.4141.934.4-18.6000114.7
349S37.5Very low36.8Very low103 Ų103123 Ų12372%0.7280%0.801SS**  trans-117142.7168.7-170.80000108.3
350V32.2Very low37.9Very low147 Ų147121.4 Ų121.489%0.89179%0.79SS**  trans-150.2141.7168-125.50000111.6
351S34.6Very low39Very low113 Ų113123.7 Ų123.779%0.7980%0.796SS**  trans-99.4143.7-171.2-59.60000114.6
352N50.7Low39.9Very low155 Ų155122 Ų12283%0.82980%0.796SS**  trans30.7133.8146.3-112.849.8000121.7
353P41.4Very low41.1Very low119 Ų119123.5 Ų123.577%0.77380%0.799SS**  -167.296.410937.3-12.9000117.2
354L35.9Very low41.7Very low172 Ų172121.6 Ų121.690%0.90180%0.8SS**  trans171.6117.3146.8-125.559.3000110
355G50.6Low42.9Very low78 Ų78126.5 Ų126.580%0.80480%0.803SS**  trans-79.8126.6-17500000114.7
356V39.9Very low43.5Very low151 Ų151129.4 Ų129.492%0.91580%0.804SS**  trans-155.8145.5149.3-107.70000109.8
357N44.7Very low44.4Very low123 Ų123128.8 Ų128.866%0.65880%0.796SS**  trans-72.7160-155.5-144.525.5000115.8A359N357-A359 PolarHBondContact OD1-N 2.97Å
358P39Very low45.2Very low117 Ų117125.4 Ų125.476%0.7678%0.783SS**  -148.878.194.338.5-19.1000112.7S360P358-S360 PolarHBondContact O-N 2.78Å
359A50.4Low45.7Very low95 Ų95125.2 Ų125.279%0.78578%0.782SS**  trans-73.939.815500000111.5N357N357-A359 PolarHBondContact OD1-N 2.97Å
360S52.3Low46.8Very low80 Ų80122.9 Ų122.956%0.55978%0.775SS**SBendtrans-142.1115.5178.4-154.80000110.1P358P358-S360 PolarHBondContact O-N 2.78Å
361L48.2Very low48.2Very low167 Ų167122.8 Ų122.887%0.87477%0.766SS**SBendtrans77.390.2177-78.499.2000118.1
362G49.3Very low49.4Very low69 Ų69122.4 Ų122.471%0.71175%0.752SS**  62.299.6122.900000117.8
363N50.7Low49.9Very low160 Ų160118.7 Ų118.786%0.85674%0.738SS**  trans-163.528.9159.5-121.546.1000115.1
364G43.2Very low51Low90 Ų90118 Ų11893%0.92873%0.727SS**SBendtrans-91.1-2.5-173.800000117.4
365M55Low52.1Low185 Ų185115.6 Ų115.691%0.91172%0.715SS**SBendtrans-122.7-5.9-166.9-154.5163.2-16800115.7
366F46.4Very low52.7Low196 Ų196117.5 Ų117.586%0.8670%0.703SS**SBendtrans-101.615.8-174.3-130.7-89.1000114.9
367N50Low53.4Low128 Ų128116.2 Ų116.268%0.68469%0.687SS**  trans-13357.1-177.5-158.123.5000112Q372N367-Q372 PolarHBondContact OD1-NE2 2.87Å
368S54.5Low54Low70 Ų70114.7 Ų114.749%0.4968%0.677SS.*  trans-90.7123.1166.2169.60000109.7G370 M371S368-G370 PolarHBondContact O-N 2.83Å; S368-G370 VanDerWaalsContact O-N 3.09Å; S368-M371 PolarHBondContact O-N 3.39Å
369P53.1Low54.9Low111 Ų111112.6 Ų112.672%0.72167%0.666SS**Hα-helixtrans-58.9-19-179-24.932.9000115.5
370G61.4Low55.6Low55 Ų55115 Ų11557%0.56766%0.661SS**Hα-helixtrans-77.8-25.5178.500000114.2S368S368-G370 PolarHBondContact O-N 2.83Å; S368-G370 VanDerWaalsContact O-N 3.09Å
371M61Low55.2Low144 Ų144114.4 Ų114.471%0.70965%0.651SS**Hα-helixtrans-93.4-23-170.7-160.4156.6160.900113S368 L375S368-M371 PolarHBondContact O-N 3.39Å; M371-L375 PolarHBondContact O-N 2.72Å
372Q60.5Low56.1Low106 Ų106111 Ų11150%0.49564%0.639SS.*Hα-helixtrans-72.3-34.8171.6-71.3163.82.400111.8N367 L374 L375 Q376N367-Q372 PolarHBondContact OD1-NE2 2.87Å; Q372-L374 PolarHBondContact O-N 3.09Å; Q372-L375 PolarHBondContact O-N 3.43Å; Q372-Q376 PolarHBondContact O-N 2.8Å; Q372-Q376 VanDerWaalsContact O-N 3.09Å
373S60.8Low56.4Low76 Ų76114.7 Ų114.753%0.53164%0.638SS.*Hα-helixtrans-66.8-35.8176.9-1690000112.6Q377S373-Q377 VanDerWaalsContact O-CB 3.29Å; S373-Q377 WeakPolarHBondContact O-CB 3.48Å; S373-Q377 PolarHBondContact O-N 2.72Å; S373-Q377 VanDerWaalsContact O-N 3.1Å
374L63.7Low57.1Low106 Ų106111.7 Ų111.756%0.55562%0.621SS**Hα-helixtrans-73.4-35.2178.6-170.365.7000111.9Q372 Q377 I378Q372-L374 PolarHBondContact O-N 3.09Å; L374-Q377 PolarHBondContact O-N 3.19Å; L374-I378 PolarHBondContact O-N 3.49Å
375L60Low57.7Low121 Ų121113.2 Ų113.263%0.63461%0.606SS**Hα-helixtrans-73.2-32.7178.3-158.769.7000112M371 Q372 S379M371-L375 PolarHBondContact O-N 2.72Å; Q372-L375 PolarHBondContact O-N 3.43Å; L375-S379 PolarHBondContact O-N 3.42Å
376Q62.3Low57.4Low118 Ų118108.6 Ų108.655%0.55158%0.582SS**Hα-helixtrans-69.8-42.7172.4-153.576.67300111.4Q372 I378 S379 E380Q372-Q376 PolarHBondContact O-N 2.8Å; Q372-Q376 VanDerWaalsContact O-N 3.09Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.47Å; Q376-S379 PolarHBondContact O-N 2.72Å; Q376-S379 PolarHBondContact O-OG 3.35Å; Q376-E380 WeakPolarHBondContact O-CG 3.14Å; Q376-E380 PolarHBondContact O-N 2.71Å
377Q54.4Low57.6Low124 Ų124105.1 Ų105.158%0.57957%0.572SS**Hα-helixtrans-68.8-28.4-179.8-170.9172-7.400113.7S373 L374S373-Q377 VanDerWaalsContact O-CB 3.29Å; S373-Q377 WeakPolarHBondContact O-CB 3.48Å; S373-Q377 PolarHBondContact O-N 2.72Å; S373-Q377 VanDerWaalsContact O-N 3.1Å; L374-Q377 PolarHBondContact O-N 3.19Å
378I56.8Low57.8Low90 Ų90104.7 Ų104.746%0.46257%0.567SS.*Hα-helixtrans-71.2-34.3170.1-90168.1000111.8L374 Q376L374-I378 PolarHBondContact O-N 3.49Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.47Å
379S59.5Low57.8Low74 Ų74103.8 Ų103.852%0.51756%0.557SS.*Hα-helixtrans-75.5-28.9179.673.80000113.6L375 Q376L375-S379 PolarHBondContact O-N 3.42Å; Q376-S379 PolarHBondContact O-N 2.72Å; Q376-S379 PolarHBondContact O-OG 3.35Å
380E64.8Low57.9Low145 Ų145102 Ų10268%0.67855%0.547SS*.Hα-helixtrans-85-14.8-177-71.3-176.8128.900113.9Q376 P382Q376-E380 WeakPolarHBondContact O-CG 3.14Å; Q376-E380 PolarHBondContact O-N 2.71Å; E380-P382 VanDerWaalsContact C-CD 3.48Å; E380-P382 WeakPolarHBondContact O-CD 3.48Å
381N44.6Very low57.7Low67 Ų67100.8 Ų100.836%0.35853%0.532SS..  trans-116.678.6-177-153.77.9000112.7Q383 L384 M385N381-Q383 PolarHBondContact O-N 2.67Å; N381-Q383 VanDerWaalsContact O-N 3.15Å; N381-L384 HydrophobicContact CB-CB 4.01Å; N381-L384 WeakPolarHBondContact O-CB 3.14Å; N381-L384 PolarHBondContact O-N 2.72Å; N381-M385 PolarHBondContact O-N 3.25Å
382P65.4Low57.2Low96 Ų9699.3 Ų99.362%0.62353%0.533SS*.Hα-helixtrans-63.2-21.317925.9-34000112.4E380 Q386E380-P382 VanDerWaalsContact C-CD 3.48Å; E380-P382 WeakPolarHBondContact O-CD 3.48Å; P382-Q386 VanDerWaalsContact O-CB 3.32Å; P382-Q386 WeakPolarHBondContact O-CB 3.39Å; P382-Q386 PolarHBondContact O-N 3.3Å
383Q55.9Low56.8Low147 Ų147102.6 Ų102.669%0.68754%0.542SS*.Hα-helixtrans-73.9-27173.1-76.5176.3-30.200113.2N381 Q386 N387N381-Q383 PolarHBondContact O-N 2.67Å; N381-Q383 VanDerWaalsContact O-N 3.15Å; Q383-Q386 PolarHBondContact O-N 2.6Å; Q383-N387 WeakPolarHBondContact O-CB 3.18Å; Q383-N387 PolarHBondContact O-N 3.08Å
384L65.3Low56.5Low97 Ų97102.1 Ų102.151%0.50853%0.532SS..Hα-helixtrans-71.9-41172.5-159.789.5000110.2N381 Q386 N387 M388N381-L384 HydrophobicContact CB-CB 4.01Å; N381-L384 WeakPolarHBondContact O-CB 3.14Å; N381-L384 PolarHBondContact O-N 2.72Å; L384-Q386 VanDerWaalsContact C-N 3.33Å; L384-N387 PolarHBondContact O-N 2.65Å; L384-M388 WeakPolarHBondContact O-CB 3.16Å; L384-M388 PolarHBondContact O-N 3.1Å
385M56.3Low56.1Low121 Ų121102.9 Ų102.960%0.59653%0.528SS*.Hα-helixtrans-66.7-35.3171.9-164170.8114.800111.4N381 M388 L389N381-M385 PolarHBondContact O-N 3.25Å; M385-M388 PolarHBondContact O-N 2.88Å; M385-L389 WeakPolarHBondContact O-CB 3.17Å; M385-L389 PolarHBondContact O-N 2.75Å
386Q49.8Very low56.3Low89 Ų89100.7 Ų100.742%0.41652%0.523SS..Hα-helixtrans-66.5-38.7172.3-166.876.359.900112P382 Q383 L384 M388 L389 S390P382-Q386 VanDerWaalsContact O-CB 3.32Å; P382-Q386 WeakPolarHBondContact O-CB 3.39Å; P382-Q386 PolarHBondContact O-N 3.3Å; Q383-Q386 PolarHBondContact O-N 2.6Å; L384-Q386 VanDerWaalsContact C-N 3.33Å; Q386-M388 VanDerWaalsContact C-N 3.32Å; Q386-L389 PolarHBondContact O-N 2.68Å; Q386-S390 WeakPolarHBondContact O-CB 3.29Å; Q386-S390 PolarHBondContact O-N 2.8Å; Q386-S390 PolarHBondContact O-OG 2.79Å
387N50Low56.1Low122 Ų12299.1 Ų99.165%0.65252%0.516SS*.Hα-helixtrans-69.1-32.3173.8-110.1-31.8000112Q383 L384 S390 A391Q383-N387 WeakPolarHBondContact O-CB 3.18Å; Q383-N387 PolarHBondContact O-N 3.08Å; L384-N387 PolarHBondContact O-N 2.65Å; N387-S390 WeakPolarHBondContact CA-OG 3.34Å; N387-A391 PolarHBondContact O-N 3.22Å
388M53.6Low56.2Low119 Ų11994.9 Ų94.959%0.58650%0.497SS*.Hα-helixtrans-75.8-36.7174.5-165.6152.973.900112.2L384 M385 Q386 A391 M394L384-M388 WeakPolarHBondContact O-CB 3.16Å; L384-M388 PolarHBondContact O-N 3.1Å; M385-M388 PolarHBondContact O-N 2.88Å; Q386-M388 VanDerWaalsContact C-N 3.32Å; M388-A391 WeakPolarHBondContact O-CB 3.42Å; M388-A391 PolarHBondContact O-N 3.32Å; M388-M394 WeakPolarHBondContact O-CB 3.42Å
389L55.1Low56.3Low51 Ų5195.6 Ų95.627%0.26750%0.498SS..Hα-helixtrans-78.6-32.1179.3-158.673.4000112.5M385 Q386 M394 M448M385-L389 WeakPolarHBondContact O-CB 3.17Å; M385-L389 PolarHBondContact O-N 2.75Å; Q386-L389 PolarHBondContact O-N 2.68Å; L389-M394 HydrophobicContact CD1-CE 3.41Å; L389-M394 VanDerWaalsContact CD1-CE 3.41Å; L389-M394 HydrophobicContact CD1-CG 4.25Å; L389-M448 HydrophobicContact CD2-CE 3.58Å; L389-M448 HydrophobicContact CG-CE 4.31Å
390S54.8Low56.4Low74 Ų7494.1 Ų94.152%0.51749%0.488SS..SBendtrans-81-3.9172.462.60000113.2Q386 N387Q386-S390 WeakPolarHBondContact O-CB 3.29Å; Q386-S390 PolarHBondContact O-N 2.8Å; Q386-S390 PolarHBondContact O-OG 2.79Å; N387-S390 WeakPolarHBondContact CA-OG 3.34Å
391A56.5Low56.2Low29 Ų2989.5 Ų89.524%0.2447%0.468CS..SBendtrans-59.4131.4174.700000109.9N387 M388 Y393 M394 R395N387-A391 PolarHBondContact O-N 3.22Å; M388-A391 WeakPolarHBondContact O-CB 3.42Å; M388-A391 PolarHBondContact O-N 3.32Å; A391-Y393 PolarHBondContact O-N 3.08Å; A391-Y393 VanDerWaalsContact O-N 3.1Å; A391-M394 HydrophobicContact CB-CB 4.33Å; A391-M394 WeakPolarHBondContact O-CB 3.15Å; A391-M394 PolarHBondContact O-N 3.39Å; A391-R395 PolarHBondContact O-N 2.79Å
392P50.7Low57.2Low114 Ų11487 Ų8774%0.7446%0.456SS*.Hα-helixtrans-61.2-25.3-178.323.8-32.9000112.2S396P392-S396 WeakPolarHBondContact O-CB 3.3Å; P392-S396 PolarHBondContact O-N 2.73Å
393Y52.7Low57.2Low175 Ų17588.8 Ų88.869%0.68646%0.456SS*.Hα-helixtrans-67.3-42.8171.7-177.5-101.6000112.9A391 R395 S396 M397A391-Y393 PolarHBondContact O-N 3.08Å; A391-Y393 VanDerWaalsContact O-N 3.1Å; Y393-R395 VanDerWaalsContact C-N 3.32Å; Y393-S396 PolarHBondContact O-N 2.82Å; Y393-M397 VanDerWaalsContact O-CB 3.31Å; Y393-M397 WeakPolarHBondContact O-CB 3.16Å; Y393-M397 PolarHBondContact O-N 2.98Å
394M54Low57.1Low66 Ų6686.4 Ų86.433%0.32545%0.448SS..Hα-helixtrans-67.7-37.1175.7-165.398.2143.100110.4M388 L389 A391 M397 M398M388-M394 WeakPolarHBondContact O-CB 3.42Å; L389-M394 HydrophobicContact CD1-CE 3.41Å; L389-M394 VanDerWaalsContact CD1-CE 3.41Å; L389-M394 HydrophobicContact CD1-CG 4.25Å; A391-M394 HydrophobicContact CB-CB 4.33Å; A391-M394 WeakPolarHBondContact O-CB 3.15Å; A391-M394 PolarHBondContact O-N 3.39Å; M394-M397 PolarHBondContact O-N 2.88Å; M394-M398 WeakPolarHBondContact O-CA 3.03Å; M394-M398 WeakPolarHBondContact O-CB 3.44Å; M394-M398 PolarHBondContact O-N 3.11Å
395R55.9Low57Low121 Ų12185.7 Ų85.746%0.45745%0.45SS..Hα-helixtrans-65.1-39.3174.8-156.8176.4177.31610111.8A391 Y393 Q399A391-R395 PolarHBondContact O-N 2.79Å; Y393-R395 VanDerWaalsContact C-N 3.32Å; R395-Q399 WeakPolarHBondContact O-CB 3.16Å; R395-Q399 PolarHBondContact O-N 3.19Å
396S64.4Low57.5Low76 Ų7687 Ų8753%0.53145%0.454SS..Hα-helixtrans-68.6-40.2172.7-174.30000112.6P392 Y393 Q399 S400P392-S396 WeakPolarHBondContact O-CB 3.3Å; P392-S396 PolarHBondContact O-N 2.73Å; Y393-S396 PolarHBondContact O-N 2.82Å; S396-Q399 PolarHBondContact O-N 3.35Å; S396-S400 WeakPolarHBondContact O-CB 3.33Å; S396-S400 PolarHBondContact O-N 3.31Å; S396-S400 PolarHBondContact O-OG 3.43Å
397M57.9Low58.5Low84 Ų8486.5 Ų86.541%0.41445%0.454SS..Hα-helixtrans-69.1-37.9177.2176.4160.8-98.100111.1Y393 M394 S400 L401Y393-M397 VanDerWaalsContact O-CB 3.31Å; Y393-M397 WeakPolarHBondContact O-CB 3.16Å; Y393-M397 PolarHBondContact O-N 2.98Å; M394-M397 PolarHBondContact O-N 2.88Å; M397-S400 WeakPolarHBondContact CA-OG 3.5Å; M397-S400 PolarHBondContact O-N 2.81Å; M397-S400 PolarHBondContact O-OG 3.26Å; M397-L401 VanDerWaalsContact O-CB 3.24Å; M397-L401 WeakPolarHBondContact O-CB 3.09Å; M397-L401 PolarHBondContact O-N 3.04Å
398M55.3Low59.1Low36 Ų3680.8 Ų80.818%0.17742%0.424CS..Hα-helixtrans-74.4-31.5177.8-166.7172.6-156.100111.3M394 L401 A402 F435 M439 M448M394-M398 WeakPolarHBondContact O-CA 3.03Å; M394-M398 WeakPolarHBondContact O-CB 3.44Å; M394-M398 PolarHBondContact O-N 3.11Å; M398-L401 WeakPolarHBondContact O-CB 3.21Å; M398-L401 PolarHBondContact O-N 3.28Å; M398-A402 VanDerWaalsContact O-CB 3.23Å; M398-A402 WeakPolarHBondContact O-CB 3.36Å; M398-A402 PolarHBondContact O-N 2.79Å; M398-F435 HydrophobicContact CE-CE1 3.58Å; M398-F435 HydrophobicContact CE-CZ 3.45Å; M398-F435 VanDerWaalsContact CE-CZ 3.45Å; M398-M439 HydrophobicContact CE-CE 3.27Å; M398-M439 HydrophobicContact CE-CG 4.35Å; M398-M439 HydrophobicContact CE-SD 3.2Å; M398-M439 WeakPolarHBondContact CE-SD 3.48Å; M398-M439 HydrophobicContact CG-CE 3.32Å; M398-M439 HydrophobicContact CG-SD 3.32Å; M398-M439 WeakPolarHBondContact CG-SD 2.99Å; M398-M439 HydrophobicContact SD-CE 3.85Å; M398-M439 HydrophobicContact SD-SD 3.3Å; M398-M448 HydrophobicContact CE-CE 4.23Å
399Q59Low59.4Low105 Ų10577.4 Ų77.449%0.49141%0.412SS..Hα-helixtrans-76.4-33.1172.2-168.9156.5-0.100112.1R395 S396 A402 Q403R395-Q399 WeakPolarHBondContact O-CB 3.16Å; R395-Q399 PolarHBondContact O-N 3.19Å; S396-Q399 PolarHBondContact O-N 3.35Å; Q399-A402 PolarHBondContact O-N 3.2Å; Q399-Q403 WeakPolarHBondContact O-CB 3.24Å; Q399-Q403 VanDerWaalsContact O-CG 3.23Å; Q399-Q403 WeakPolarHBondContact O-CG 3.43Å; Q399-Q403 PolarHBondContact O-N 3.39Å
400S62.8Low59.7Low42 Ų4280.6 Ų80.629%0.29443%0.425SS..Hα-helixtrans-72.4-31.8168.673.60000111.8S396 M397 A402 Q403 N404S396-S400 WeakPolarHBondContact O-CB 3.33Å; S396-S400 PolarHBondContact O-N 3.31Å; S396-S400 PolarHBondContact O-OG 3.43Å; M397-S400 WeakPolarHBondContact CA-OG 3.5Å; M397-S400 PolarHBondContact O-N 2.81Å; M397-S400 PolarHBondContact O-OG 3.26Å; S400-A402 VanDerWaalsContact C-N 3.35Å; S400-Q403 PolarHBondContact O-N 3.39Å; S400-N404 WeakPolarHBondContact O-CB 3.45Å; S400-N404 PolarHBondContact O-N 3.2Å
401L59.8Low60Low48 Ų4880.4 Ų80.425%0.25142%0.421SS..Hα-helixtrans-64.9-39.7169.1-137.660.1000111.9M397 M398 Q403 N404 A408M397-L401 VanDerWaalsContact O-CB 3.24Å; M397-L401 WeakPolarHBondContact O-CB 3.09Å; M397-L401 PolarHBondContact O-N 3.04Å; M398-L401 WeakPolarHBondContact O-CB 3.21Å; M398-L401 PolarHBondContact O-N 3.28Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; L401-N404 CarbonylContact O-C 3.51Å; L401-A408 HydrophobicContact CD1-CB 3.5Å; L401-A408 HydrophobicContact CD2-CB 4.19Å; L401-A408 HydrophobicContact CG-CB 3.4Å
402A65.4Low60.1Low14 Ų1480.5 Ų80.512%0.11642%0.417CS..Hα-helixtrans-72.6-28.3178.700000112.9M398 Q399 S400 L436M398-A402 VanDerWaalsContact O-CB 3.23Å; M398-A402 WeakPolarHBondContact O-CB 3.36Å; M398-A402 PolarHBondContact O-N 2.79Å; Q399-A402 PolarHBondContact O-N 3.2Å; S400-A402 VanDerWaalsContact C-N 3.35Å; A402-L436 HydrophobicContact CB-CD1 4.31Å; A402-L436 HydrophobicContact CB-CG 4.18Å
403Q66.4Low60.7Low134 Ų13481.2 Ų81.263%0.62641%0.412SS*.Hα-helixtrans-87.2-32.4175.6-71.4173.112.600112.2Q399 S400 L401 P405Q399-Q403 WeakPolarHBondContact O-CB 3.24Å; Q399-Q403 VanDerWaalsContact O-CG 3.23Å; Q399-Q403 WeakPolarHBondContact O-CG 3.43Å; Q399-Q403 PolarHBondContact O-N 3.39Å; S400-Q403 PolarHBondContact O-N 3.39Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; Q403-P405 WeakPolarHBondContact O-CD 3.24Å
404N53.6Low61Low97 Ų9779.3 Ų79.352%0.51941%0.413SS..  trans-119.787.6178.5-81.910.2000111.4S400 L401 E406 L407 A408S400-N404 WeakPolarHBondContact O-CB 3.45Å; S400-N404 PolarHBondContact O-N 3.2Å; L401-N404 CarbonylContact O-C 3.51Å; N404-E406 PolarHBondContact O-N 2.94Å; N404-L407 HydrophobicContact CB-CB 3.84Å; N404-L407 WeakPolarHBondContact O-CB 3.25Å; N404-L407 PolarHBondContact O-N 3.24Å; N404-A408 PolarHBondContact O-N 3.33Å
405P63Low61.1Low83 Ų8379.2 Ų79.254%0.53941%0.414SS..Hα-helixtrans-64.1-25.9178.125.8-34.4000113.2Q403 A408 S409Q403-P405 WeakPolarHBondContact O-CD 3.24Å; P405-A408 WeakPolarHBondContact O-CB 3.05Å; P405-A408 PolarHBondContact O-N 2.8Å; P405-S409 PolarHBondContact O-N 3.47Å; P405-S409 VanDerWaalsContact O-N 3.09Å; P405-S409 PolarHBondContact O-OG 3.04Å
406E67.6Low61.1Low148 Ų14878.3 Ų78.369%0.69242%0.424SS*.Hα-helixtrans-69.8-32.4172.8-89.6-98.792.100112.7N404 A408 S409 Q410N404-E406 PolarHBondContact O-N 2.94Å; E406-A408 VanDerWaalsContact C-N 3.3Å; E406-S409 WeakPolarHBondContact CA-OG 3.28Å; E406-S409 PolarHBondContact O-OG 3.44Å; E406-Q410 VanDerWaalsContact O-CB 3.25Å; E406-Q410 WeakPolarHBondContact O-CB 3.19Å; E406-Q410 PolarHBondContact O-N 3.38Å
407L70.1Confident60.9Low78 Ų7880.8 Ų80.841%0.40843%0.43SS..Hα-helixtrans-72.9-31174.8-171.867000110.5N404 Q410 V411N404-L407 HydrophobicContact CB-CB 3.84Å; N404-L407 WeakPolarHBondContact O-CB 3.25Å; N404-L407 PolarHBondContact O-N 3.24Å; L407-Q410 PolarHBondContact O-N 3.36Å; L407-V411 HydrophobicContact CG-CG2 4.49Å; L407-V411 WeakPolarHBondContact O-CB 3.26Å; L407-V411 VanDerWaalsContact O-CG2 3.27Å; L407-V411 WeakPolarHBondContact O-CG2 3.28Å; L407-V411 PolarHBondContact O-N 3.25Å
408A61.8Low61Low3 Ų378.6 Ų78.63%0.02542%0.419CS..Hα-helixtrans-66-49.2175.100000112.8L401 N404 P405 E406 Q410 V411 M412L401-A408 HydrophobicContact CD1-CB 3.5Å; L401-A408 HydrophobicContact CD2-CB 4.19Å; L401-A408 HydrophobicContact CG-CB 3.4Å; N404-A408 PolarHBondContact O-N 3.33Å; P405-A408 WeakPolarHBondContact O-CB 3.05Å; P405-A408 PolarHBondContact O-N 2.8Å; E406-A408 VanDerWaalsContact C-N 3.3Å; A408-Q410 VanDerWaalsContact C-N 3.3Å; A408-Q410 PolarHBondContact O-N 3.49Å; A408-V411 PolarHBondContact O-N 3.46Å; A408-M412 WeakPolarHBondContact O-CB 3.41Å; A408-M412 WeakPolarHBondContact O-CG 3.22Å; A408-M412 PolarHBondContact O-N 2.8Å
409S60.7Low61.3Low47 Ų4780.3 Ų80.333%0.32943%0.434SS..Hα-helixtrans-60.6-44173.955.50000110P405 E406 M412 M413P405-S409 PolarHBondContact O-N 3.47Å; P405-S409 VanDerWaalsContact O-N 3.09Å; P405-S409 PolarHBondContact O-OG 3.04Å; E406-S409 WeakPolarHBondContact CA-OG 3.28Å; E406-S409 PolarHBondContact O-OG 3.44Å; S409-M412 PolarHBondContact O-N 2.87Å; S409-M413 VanDerWaalsContact O-CB 3.24Å; S409-M413 WeakPolarHBondContact O-CB 3.17Å; S409-M413 PolarHBondContact O-N 2.85Å
410Q61.4Low61.4Low119 Ų11978 Ų7856%0.55644%0.438SS*.Hα-helixtrans-59.8-49.2178.2-164.489.311.800112.5E406 L407 A408 M413 N414E406-Q410 VanDerWaalsContact O-CB 3.25Å; E406-Q410 WeakPolarHBondContact O-CB 3.19Å; E406-Q410 PolarHBondContact O-N 3.38Å; L407-Q410 PolarHBondContact O-N 3.36Å; A408-Q410 VanDerWaalsContact C-N 3.3Å; A408-Q410 PolarHBondContact O-N 3.49Å; Q410-M413 PolarHBondContact O-N 3.3Å; Q410-N414 WeakPolarHBondContact O-CB 3.12Å; Q410-N414 PolarHBondContact O-N 2.82Å
411V61.5Low61.2Low70 Ų7080.5 Ų80.542%0.42445%0.449SS..Hα-helixtrans-68.4-35.2-179.7171.80000111.2L407 A408 N415L407-V411 HydrophobicContact CG-CG2 4.49Å; L407-V411 WeakPolarHBondContact O-CB 3.26Å; L407-V411 VanDerWaalsContact O-CG2 3.27Å; L407-V411 WeakPolarHBondContact O-CG2 3.28Å; L407-V411 PolarHBondContact O-N 3.25Å; A408-V411 PolarHBondContact O-N 3.46Å; V411-N415 VanDerWaalsContact O-CB 3.23Å; V411-N415 WeakPolarHBondContact O-CB 3.34Å; V411-N415 PolarHBondContact O-N 3.36Å
412M57.9Low61.6Low31 Ų3182.2 Ų82.215%0.15346%0.462CS..Hα-helixtrans-69.2-37.4173.2-80-148.4148.700113.5A408 S409 N414 N415 F418 F428 L432A408-M412 WeakPolarHBondContact O-CB 3.41Å; A408-M412 WeakPolarHBondContact O-CG 3.22Å; A408-M412 PolarHBondContact O-N 2.8Å; S409-M412 PolarHBondContact O-N 2.87Å; M412-N414 VanDerWaalsContact C-N 3.31Å; M412-N415 PolarHBondContact O-N 2.89Å; M412-F418 HydrophobicContact CE-CD1 4.32Å; M412-F418 HydrophobicContact CE-CE1 4.03Å; M412-F418 HydrophobicContact CE-CE2 4.38Å; M412-F418 HydrophobicContact CE-CZ 4.06Å; M412-F428 HydrophobicContact CE-CD1 3.1Å; M412-F428 HydrophobicContact CE-CD2 4.08Å; M412-F428 HydrophobicContact CE-CE1 2.97Å; M412-F428 HydrophobicContact CE-CE2 3.99Å; M412-F428 HydrophobicContact CE-CG 3.67Å; M412-F428 HydrophobicContact CE-CZ 3.45Å; M412-F428 VanDerWaalsContact CE-CZ 3.45Å; M412-F428 HydrophobicContact SD-CD1 3.21Å; M412-F428 WeakPolarHBondContact SD-CD1 3.23Å; M412-F428 HydrophobicContact SD-CE1 3.51Å; M412-F428 VanDerWaalsContact SD-CE1 3.51Å; M412-F428 HydrophobicContact SD-CG 4.03Å; M412-L432 HydrophobicContact SD-CD1 4.27Å
413M62.7Low61.9Low129 Ų12989.5 Ų89.564%0.63549%0.494SS*.Hα-helixtrans-72.1-30.1178.6-142.4150.8170.500111.4S409 Q410S409-M413 VanDerWaalsContact O-CB 3.24Å; S409-M413 WeakPolarHBondContact O-CB 3.17Å; S409-M413 PolarHBondContact O-N 2.85Å; Q410-M413 PolarHBondContact O-N 3.3Å
414N59.6Low62Low134 Ų13486.7 Ų86.772%0.71748%0.483SS*.SBendtrans-88.7-5.4174.5-1110000114.4Q410 M412 P416Q410-N414 WeakPolarHBondContact O-CB 3.12Å; Q410-N414 PolarHBondContact O-N 2.82Å; M412-N414 VanDerWaalsContact C-N 3.31Å; N414-P416 VanDerWaalsContact O-CD 3.31Å; N414-P416 WeakPolarHBondContact O-CD 3.39Å
415N55.4Low62.6Low64 Ų6483.6 Ų83.634%0.34247%0.465SS..  trans-88.8112.7178.8-168.1-14.4000109.7V411 M412 L417 F418 S419V411-N415 VanDerWaalsContact O-CB 3.23Å; V411-N415 WeakPolarHBondContact O-CB 3.34Å; V411-N415 PolarHBondContact O-N 3.36Å; M412-N415 PolarHBondContact O-N 2.89Å; N415-L417 PolarHBondContact O-N 3.44Å; N415-L417 PolarHBondContact OD1-N 3.44Å; N415-F418 HydrophobicContact CB-CD2 3.98Å; N415-F418 PolarHBondContact O-N 3.03Å; N415-S419 PolarHBondContact O-N 3.26Å; N415-S419 VanDerWaalsContact O-N 3.14Å
416P57.2Low63Low102 Ų10284.7 Ų84.766%0.66246%0.463SS*.Hα-helixtrans-62-17.8-173.623.4-33.9000113.9N414 F418 S419N414-P416 VanDerWaalsContact O-CD 3.31Å; N414-P416 WeakPolarHBondContact O-CD 3.39Å; P416-F418 VanDerWaalsContact C-N 3.34Å; P416-S419 WeakPolarHBondContact CA-OG 3.34Å; P416-S419 PolarHBondContact O-OG 2.83Å
417L59.5Low62.7Low128 Ų12883.1 Ų83.167%0.6746%0.456SS*.Hα-helixtrans-70.4-28.6174.5-151.688.8000112.9N415N415-L417 PolarHBondContact O-N 3.44Å; N415-L417 PolarHBondContact OD1-N 3.44Å
418F59.8Low62.3Low39 Ų3982.7 Ų82.717%0.17145%0.451CS..Hα-helixtrans-102.3-29.3-178-66.4-85000112.4M412 N415 P416 G420 N421 L424M412-F418 HydrophobicContact CE-CD1 4.32Å; M412-F418 HydrophobicContact CE-CE1 4.03Å; M412-F418 HydrophobicContact CE-CE2 4.38Å; M412-F418 HydrophobicContact CE-CZ 4.06Å; N415-F418 HydrophobicContact CB-CD2 3.98Å; N415-F418 PolarHBondContact O-N 3.03Å; P416-F418 VanDerWaalsContact C-N 3.34Å; F418-G420 PolarHBondContact O-N 3.49Å; F418-N421 CarbonylContact O-C 3.6Å; F418-N421 PolarHBondContact O-N 3.12Å; F418-L424 HydrophobicContact CD1-CD2 3.99Å; F418-L424 HydrophobicContact CE1-CD2 3.88Å
419S62Low62.6Low72 Ų7288.8 Ų88.850%0.50347%0.473SS..Hα-helixtrans-66.4-23.817571.70000113.2N415 P416N415-S419 PolarHBondContact O-N 3.26Å; N415-S419 VanDerWaalsContact O-N 3.14Å; P416-S419 WeakPolarHBondContact CA-OG 3.34Å; P416-S419 PolarHBondContact O-OG 2.83Å
420G61.1Low62.9Low55 Ų5590.3 Ų90.357%0.56748%0.484SS*.THydrogen-bonded Turntrans-80.5-15.5175.100000114.7F418F418-G420 PolarHBondContact O-N 3.49Å
421N57.6Low62.6Low96 Ų9689.9 Ų89.951%0.51348%0.482SS..  trans-129.581.1-173.2-108.252.7000111.3F418 Q423 L424 Q425F418-N421 CarbonylContact O-C 3.6Å; F418-N421 PolarHBondContact O-N 3.12Å; N421-Q423 VanDerWaalsContact C-N 3.26Å; N421-Q423 PolarHBondContact O-N 3.27Å; N421-L424 HydrophobicContact CB-CB 4.16Å; N421-L424 PolarHBondContact O-N 2.99Å; N421-L424 VanDerWaalsContact O-N 3.14Å; N421-Q425 PolarHBondContact O-N 2.79Å; N421-Q425 VanDerWaalsContact O-N 3.13Å
422P69.2Low62.8Low83 Ų8387.9 Ų87.954%0.53947%0.469SS..Hα-helixtrans-62.4-31.4-17423.7-33.7000113.1Q425 E426P422-Q425 WeakPolarHBondContact O-CB 3.5Å; P422-Q425 PolarHBondContact O-N 3.47Å; P422-E426 PolarHBondContact O-N 3.25Å
423Q72.3Confident63.2Low168 Ų16890.2 Ų90.279%0.78549%0.486SS*.Hα-helixtrans-67.1-37.1177.6-121.5162.316.900113N421 Q425 Q427N421-Q423 VanDerWaalsContact C-N 3.26Å; N421-Q423 PolarHBondContact O-N 3.27Å; Q423-Q425 VanDerWaalsContact C-N 3.33Å; Q423-Q427 PolarHBondContact O-N 3.09Å; Q423-Q427 VanDerWaalsContact O-N 3.1Å
424L68.6Low63.5Low74 Ų7489.5 Ų89.539%0.38748%0.483SS..Hα-helixtrans-72.3-33.9174.7-166.676.4000110.4F418 N421 Q427 F428F418-L424 HydrophobicContact CD1-CD2 3.99Å; F418-L424 HydrophobicContact CE1-CD2 3.88Å; N421-L424 HydrophobicContact CB-CB 4.16Å; N421-L424 PolarHBondContact O-N 2.99Å; N421-L424 VanDerWaalsContact O-N 3.14Å; L424-Q427 PolarHBondContact O-N 3.43Å; L424-F428 VanDerWaalsContact O-CB 3.29Å; L424-F428 WeakPolarHBondContact O-CB 3.49Å; L424-F428 PolarHBondContact O-N 3.34Å
425Q65.1Low63.6Low33 Ų3386.3 Ų86.315%0.15446%0.463CS..Hα-helixtrans-65.6-41174.8-162.9172.520.900111.5N421 P422 Q423 R429N421-Q425 PolarHBondContact O-N 2.79Å; N421-Q425 VanDerWaalsContact O-N 3.13Å; P422-Q425 WeakPolarHBondContact O-CB 3.5Å; P422-Q425 PolarHBondContact O-N 3.47Å; Q423-Q425 VanDerWaalsContact C-N 3.33Å; Q425-R429 WeakPolarHBondContact O-CB 3.4Å; Q425-R429 PolarHBondContact O-N 3.3Å
426E70.8Confident64Low106 Ų10684.5 Ų84.550%0.49545%0.453SS..Hα-helixtrans-65-42.4173.4-119.585.1-123.400112.4P422 R429 S430P422-E426 PolarHBondContact O-N 3.25Å; E426-R429 PolarHBondContact O-N 2.81Å; E426-R429 IonicContact OE1-CZ 3.9Å; E426-R429 IonicContact OE1-NH2 3.12Å; E426-R429 PolarHBondContact OE1-NH2 3.32Å; E426-S430 WeakPolarHBondContact O-CB 3.4Å; E426-S430 PolarHBondContact O-N 2.8Å; E426-S430 PolarHBondContact O-OG 2.98Å
427Q63.1Low64.3Low114 Ų11485.1 Ų85.153%0.53345%0.447SS..Hα-helixtrans-66-43.1177.7-173.5-178.7-1100111.5Q423 L424 S430 Q431Q423-Q427 PolarHBondContact O-N 3.09Å; Q423-Q427 VanDerWaalsContact O-N 3.1Å; L424-Q427 PolarHBondContact O-N 3.43Å; Q427-S430 WeakPolarHBondContact CA-OG 3.44Å; Q427-S430 PolarHBondContact O-OG 3.4Å; Q427-Q431 VanDerWaalsContact O-CB 3.28Å; Q427-Q431 WeakPolarHBondContact O-CB 3.38Å; Q427-Q431 PolarHBondContact O-N 2.78Å
428F61.6Low64.2Low70 Ų7083.4 Ų83.431%0.30744%0.436SS..Hα-helixtrans-73-34178.4-162.3-85.6000111.6M412 L424 Q431 L432M412-F428 HydrophobicContact CE-CD1 3.1Å; M412-F428 HydrophobicContact CE-CD2 4.08Å; M412-F428 HydrophobicContact CE-CE1 2.97Å; M412-F428 HydrophobicContact CE-CE2 3.99Å; M412-F428 HydrophobicContact CE-CG 3.67Å; M412-F428 HydrophobicContact CE-CZ 3.45Å; M412-F428 VanDerWaalsContact CE-CZ 3.45Å; M412-F428 HydrophobicContact SD-CD1 3.21Å; M412-F428 WeakPolarHBondContact SD-CD1 3.23Å; M412-F428 HydrophobicContact SD-CE1 3.51Å; M412-F428 VanDerWaalsContact SD-CE1 3.51Å; M412-F428 HydrophobicContact SD-CG 4.03Å; L424-F428 VanDerWaalsContact O-CB 3.29Å; L424-F428 WeakPolarHBondContact O-CB 3.49Å; L424-F428 PolarHBondContact O-N 3.34Å; F428-Q431 PolarHBondContact O-N 3.49Å; F428-L432 HydrophobicContact CD1-CD1 3.48Å; F428-L432 VanDerWaalsContact CD1-CD1 3.48Å; F428-L432 HydrophobicContact CD1-CG 3.63Å; F428-L432 HydrophobicContact CE1-CD1 3.59Å; F428-L432 HydrophobicContact CE1-CD2 4.1Å; F428-L432 HydrophobicContact CE1-CG 3.45Å; F428-L432 VanDerWaalsContact CE1-CG 3.45Å; F428-L432 WeakPolarHBondContact O-CA 3.35Å; F428-L432 WeakPolarHBondContact O-CB 3.48Å; F428-L432 WeakPolarHBondContact O-CG 3.27Å; F428-L432 PolarHBondContact O-N 3.17Å
429R67.8Low63.8Low131 Ų13182.6 Ų82.649%0.49443%0.433SS..Hα-helixtrans-69.7-32.8176.4-169.6154.864.6178.81.7112.7Q425 E426 P433Q425-R429 WeakPolarHBondContact O-CB 3.4Å; Q425-R429 PolarHBondContact O-N 3.3Å; E426-R429 PolarHBondContact O-N 2.81Å; E426-R429 IonicContact OE1-CZ 3.9Å; E426-R429 IonicContact OE1-NH2 3.12Å; E426-R429 PolarHBondContact OE1-NH2 3.32Å; R429-P433 VanDerWaalsContact O-CD 3.26Å; R429-P433 WeakPolarHBondContact O-CD 3.37Å
430S67.1Low63.9Low78 Ų7884.6 Ų84.655%0.54543%0.434SS..Hα-helixtrans-77.8-30.8173.2540000113.1E426 Q427E426-S430 WeakPolarHBondContact O-CB 3.4Å; E426-S430 PolarHBondContact O-N 2.8Å; E426-S430 PolarHBondContact O-OG 2.98Å; Q427-S430 WeakPolarHBondContact CA-OG 3.44Å; Q427-S430 PolarHBondContact O-OG 3.4Å
431Q54.9Low63.6Low110 Ų11085.9 Ų85.951%0.51443%0.429SS..Hα-helixtrans-88.6-20.3178-152.7173.483.800113.1Q427 F428 I434 F435Q427-Q431 VanDerWaalsContact O-CB 3.28Å; Q427-Q431 WeakPolarHBondContact O-CB 3.38Å; Q427-Q431 PolarHBondContact O-N 2.78Å; F428-Q431 PolarHBondContact O-N 3.49Å; Q431-I434 PolarHBondContact O-N 2.97Å; Q431-F435 WeakPolarHBondContact O-CB 3.25Å; Q431-F435 PolarHBondContact O-N 3.39Å
432L64.9Low63.9Low29 Ų2986.3 Ų86.315%0.15244%0.436CS..Hα-helixtrans-50.7-50.9177.3-116.2161.2000113.3M412 F428 I434 F435 L436M412-L432 HydrophobicContact SD-CD1 4.27Å; F428-L432 HydrophobicContact CD1-CD1 3.48Å; F428-L432 VanDerWaalsContact CD1-CD1 3.48Å; F428-L432 HydrophobicContact CD1-CG 3.63Å; F428-L432 HydrophobicContact CE1-CD1 3.59Å; F428-L432 HydrophobicContact CE1-CD2 4.1Å; F428-L432 HydrophobicContact CE1-CG 3.45Å; F428-L432 VanDerWaalsContact CE1-CG 3.45Å; F428-L432 WeakPolarHBondContact O-CA 3.35Å; F428-L432 WeakPolarHBondContact O-CB 3.48Å; F428-L432 WeakPolarHBondContact O-CG 3.27Å; F428-L432 PolarHBondContact O-N 3.17Å; L432-I434 PolarHBondContact O-N 3.45Å; L432-F435 PolarHBondContact O-N 3.49Å; L432-L436 HydrophobicContact CD2-CD1 3.98Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.24Å; L432-L436 PolarHBondContact O-N 2.79Å
433P66.3Low63.7Low80 Ų8089.6 Ų89.652%0.51945%0.445SS..Hα-helixtrans-66.5-37.3-179.121.3-30.2000112.6R429 Q437R429-P433 VanDerWaalsContact O-CD 3.26Å; R429-P433 WeakPolarHBondContact O-CD 3.37Å; P433-Q437 VanDerWaalsContact O-CB 3.23Å; P433-Q437 WeakPolarHBondContact O-CB 3.43Å; P433-Q437 PolarHBondContact O-N 2.81Å
434I70.5Confident63.2Low113 Ų11382.6 Ų82.658%0.57942%0.416SS*.Hα-helixtrans-66.6-41.8173.5-82.192.8000111Q431 L432 Q438Q431-I434 PolarHBondContact O-N 2.97Å; L432-I434 PolarHBondContact O-N 3.45Å; I434-Q438 VanDerWaalsContact O-CB 3.26Å; I434-Q438 WeakPolarHBondContact O-CB 3.37Å; I434-Q438 PolarHBondContact O-N 3.47Å
435F61.3Low62.8Low68 Ų6881.2 Ų81.230%0.29841%0.408SS..Hα-helixtrans-70.6-38.5-179.4-178.5-107.3000112.3M398 Q431 L432 Q438 M439M398-F435 HydrophobicContact CE-CE1 3.58Å; M398-F435 HydrophobicContact CE-CZ 3.45Å; M398-F435 VanDerWaalsContact CE-CZ 3.45Å; Q431-F435 WeakPolarHBondContact O-CB 3.25Å; Q431-F435 PolarHBondContact O-N 3.39Å; L432-F435 PolarHBondContact O-N 3.49Å; F435-Q438 PolarHBondContact O-N 3.04Å; F435-M439 HydrophobicContact CD1-CE 4.02Å; F435-M439 HydrophobicContact CE1-CE 3.53Å; F435-M439 HydrophobicContact CZ-CE 4.15Å; F435-M439 WeakPolarHBondContact O-CB 3.07Å; F435-M439 PolarHBondContact O-N 3.27Å
436L63.9Low62.8Low25 Ų2582.7 Ų82.713%0.13142%0.422CS..Hα-helixtrans-67.1-42.9174.9-136.379.6000110.7A402 L432 Q438 M439 Q440A402-L436 HydrophobicContact CB-CD1 4.31Å; A402-L436 HydrophobicContact CB-CG 4.18Å; L432-L436 HydrophobicContact CD2-CD1 3.98Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.24Å; L432-L436 PolarHBondContact O-N 2.79Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; L436-M439 PolarHBondContact O-N 2.89Å; L436-Q440 WeakPolarHBondContact O-CB 3.45Å; L436-Q440 PolarHBondContact O-N 3.06Å
437Q63.8Low62.5Low115 Ų11579.8 Ų79.854%0.53741%0.411SS..Hα-helixtrans-64.6-38.6175.5-168.571.474.900111.1P433 N441P433-Q437 VanDerWaalsContact O-CB 3.23Å; P433-Q437 WeakPolarHBondContact O-CB 3.43Å; P433-Q437 PolarHBondContact O-N 2.81Å; Q437-N441 PolarHBondContact O-N 3.28Å; Q437-N441 PolarHBondContact O-ND2 3.01Å
438Q56.6Low62.3Low92 Ų9277.3 Ų77.343%0.4340%0.401SS..Hα-helixtrans-66.8-43.5174.3-172.1155.435.100111I434 F435 L436 Q440 N441 A444I434-Q438 VanDerWaalsContact O-CB 3.26Å; I434-Q438 WeakPolarHBondContact O-CB 3.37Å; I434-Q438 PolarHBondContact O-N 3.47Å; F435-Q438 PolarHBondContact O-N 3.04Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.26Å; Q438-N441 WeakPolarHBondContact O-CB 3.35Å; Q438-N441 PolarHBondContact O-N 3.37Å; Q438-N441 VanDerWaalsContact O-N 3.07Å; Q438-A444 HydrophobicContact CG-CB 3.83Å; Q438-A444 WeakPolarHBondContact O-CB 3.31Å
439M52.3Low62.6Low23 Ų2378 Ų7811%0.11341%0.411CS..Hα-helixtrans-70.2-26.7177.1-103-148.8-65.700115.3M398 F435 L436 N441M398-M439 HydrophobicContact CE-CE 3.27Å; M398-M439 HydrophobicContact CE-CG 4.35Å; M398-M439 HydrophobicContact CE-SD 3.2Å; M398-M439 WeakPolarHBondContact CE-SD 3.48Å; M398-M439 HydrophobicContact CG-CE 3.32Å; M398-M439 HydrophobicContact CG-SD 3.32Å; M398-M439 WeakPolarHBondContact CG-SD 2.99Å; M398-M439 HydrophobicContact SD-CE 3.85Å; M398-M439 HydrophobicContact SD-SD 3.3Å; F435-M439 HydrophobicContact CD1-CE 4.02Å; F435-M439 HydrophobicContact CE1-CE 3.53Å; F435-M439 HydrophobicContact CZ-CE 4.15Å; F435-M439 WeakPolarHBondContact O-CB 3.07Å; F435-M439 PolarHBondContact O-N 3.27Å; L436-M439 PolarHBondContact O-N 2.89Å; M439-N441 PolarHBondContact O-N 3.38Å
440Q63.7Low62.3Low113 Ų11375.5 Ų75.553%0.52841%0.407SS..Hα-helixtrans-67.3-20.2170.2-105.2175.137.200112L436 Q438 P442L436-Q440 WeakPolarHBondContact O-CB 3.45Å; L436-Q440 PolarHBondContact O-N 3.06Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.26Å; Q440-P442 WeakPolarHBondContact O-CD 3.23Å
441N54.6Low62.5Low83 Ų8376.5 Ų76.544%0.44441%0.412SS..SBendtrans-77.2118.7175.1-69.8-27.8000110.2Q437 Q438 M439 E443 A444 L445Q437-N441 PolarHBondContact O-N 3.28Å; Q437-N441 PolarHBondContact O-ND2 3.01Å; Q438-N441 WeakPolarHBondContact O-CB 3.35Å; Q438-N441 PolarHBondContact O-N 3.37Å; Q438-N441 VanDerWaalsContact O-N 3.07Å; M439-N441 PolarHBondContact O-N 3.38Å; N441-E443 PolarHBondContact O-N 3.35Å; N441-A444 HydrophobicContact CB-CB 4.04Å; N441-A444 WeakPolarHBondContact O-CB 3.31Å; N441-A444 PolarHBondContact O-N 3.09Å; N441-L445 PolarHBondContact O-N 3.47Å; N441-L445 VanDerWaalsContact O-N 3.11Å
442P62.8Low63.5Low104 Ų10480.9 Ų80.968%0.67542%0.424SS*.Hα-helixtrans-63.7-29.8-178.125.1-33.8000112.5Q440 L445 S446Q440-P442 WeakPolarHBondContact O-CD 3.23Å; P442-L445 PolarHBondContact O-N 3.5Å; P442-S446 WeakPolarHBondContact O-CB 3.45Å; P442-S446 PolarHBondContact O-N 2.84Å
443E66.3Low63.6Low153 Ų15380.5 Ų80.572%0.71543%0.425SS*.Hα-helixtrans-63.2-37.6170.6-85.1-92.711300112.3N441 S446 V447N441-E443 PolarHBondContact O-N 3.35Å; E443-S446 WeakPolarHBondContact O-CB 3.38Å; E443-S446 PolarHBondContact O-N 2.85Å; E443-V447 WeakPolarHBondContact O-CB 3.24Å; E443-V447 WeakPolarHBondContact O-CG2 3.34Å; E443-V447 PolarHBondContact O-N 2.89Å
444A62.3Low63.6Low21 Ų2181.5 Ų81.517%0.17442%0.424CS..Hα-helixtrans-74-34.817800000111.9Q438 N441 S446 V447 M448Q438-A444 HydrophobicContact CG-CB 3.83Å; Q438-A444 WeakPolarHBondContact O-CB 3.31Å; N441-A444 HydrophobicContact CB-CB 4.04Å; N441-A444 WeakPolarHBondContact O-CB 3.31Å; N441-A444 PolarHBondContact O-N 3.09Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.48Å; A444-V447 PolarHBondContact O-N 3.03Å; A444-M448 VanDerWaalsContact O-CB 3.25Å; A444-M448 WeakPolarHBondContact O-CB 3.44Å; A444-M448 PolarHBondContact O-N 3.32Å
445L59.8Low63.9Low44 Ų4483 Ų8323%0.2343%0.428CS..Hα-helixtrans-64.7-37.1172.1-153.469.3000110.4N441 P442 M448 T449N441-L445 PolarHBondContact O-N 3.47Å; N441-L445 VanDerWaalsContact O-N 3.11Å; P442-L445 PolarHBondContact O-N 3.5Å; L445-M448 PolarHBondContact O-N 3.47Å; L445-T449 PolarHBondContact O-N 3.34Å; L445-T449 PolarHBondContact O-OG1 2.94Å
446S64.3Low64.4Low65 Ų6581.8 Ų81.846%0.45543%0.431SS..Hα-helixtrans-66.8-42.5173.7-154.50000112.2P442 E443 A444 T449 N450P442-S446 WeakPolarHBondContact O-CB 3.45Å; P442-S446 PolarHBondContact O-N 2.84Å; E443-S446 WeakPolarHBondContact O-CB 3.38Å; E443-S446 PolarHBondContact O-N 2.85Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.48Å; S446-T449 WeakPolarHBondContact CA-OG1 3.39Å; S446-T449 CarbonylContact O-C 3.59Å; S446-T449 PolarHBondContact O-N 3.27Å; S446-T449 PolarHBondContact O-OG1 3.11Å; S446-N450 WeakPolarHBondContact O-CB 3.23Å; S446-N450 PolarHBondContact O-N 3.24Å
447V65.8Low64.6Low44 Ų4483.7 Ų83.727%0.26744%0.441SS..Hα-helixtrans-64.2-35.9173.2156.90000112.6E443 A444 N450 A453 L457E443-V447 WeakPolarHBondContact O-CB 3.24Å; E443-V447 WeakPolarHBondContact O-CG2 3.34Å; E443-V447 PolarHBondContact O-N 2.89Å; A444-V447 PolarHBondContact O-N 3.03Å; V447-N450 PolarHBondContact O-N 2.86Å; V447-A453 HydrophobicContact CB-CB 4Å; V447-A453 HydrophobicContact CG1-CB 3.87Å; V447-A453 HydrophobicContact CG2-CB 3.9Å; V447-L457 HydrophobicContact CG1-CD1 3.42Å; V447-L457 VanDerWaalsContact CG1-CD1 3.42Å
448M57.4Low64.9Low62 Ų6284.9 Ų84.931%0.30545%0.448SS..Hα-helixtrans-75.1-31.4177.8-168.1176.8178.400111.9L389 M398 A444 L445L389-M448 HydrophobicContact CD2-CE 3.58Å; L389-M448 HydrophobicContact CG-CE 4.31Å; M398-M448 HydrophobicContact CE-CE 4.23Å; A444-M448 VanDerWaalsContact O-CB 3.25Å; A444-M448 WeakPolarHBondContact O-CB 3.44Å; A444-M448 PolarHBondContact O-N 3.32Å; L445-M448 PolarHBondContact O-N 3.47Å
449T68.4Low65.9Low86 Ų8687.8 Ų87.853%0.52846%0.462SS..Hα-helixtrans-83.4-12.7169.746.60000113.9L445 S446 P451L445-T449 PolarHBondContact O-N 3.34Å; L445-T449 PolarHBondContact O-OG1 2.94Å; S446-T449 WeakPolarHBondContact CA-OG1 3.39Å; S446-T449 CarbonylContact O-C 3.59Å; S446-T449 PolarHBondContact O-N 3.27Å; S446-T449 PolarHBondContact O-OG1 3.11Å; T449-P451 WeakPolarHBondContact O-CD 3.4Å
450N62.5Low67Low77 Ų7791.4 Ų91.441%0.41248%0.481SS..  trans-97104.5178.3-174.3-18.5000109.4S446 V447 R452 A453 M454S446-N450 WeakPolarHBondContact O-CB 3.23Å; S446-N450 PolarHBondContact O-N 3.24Å; V447-N450 PolarHBondContact O-N 2.86Å; N450-R452 PolarHBondContact O-N 2.97Å; N450-R452 VanDerWaalsContact O-N 3.14Å; N450-R452 PolarHBondContact OD1-N 2.92Å; N450-A453 HydrophobicContact CB-CB 3.83Å; N450-A453 WeakPolarHBondContact O-CA 3.37Å; N450-A453 WeakPolarHBondContact O-CB 3.17Å; N450-A453 PolarHBondContact O-N 3.05Å; N450-M454 PolarHBondContact O-N 2.72Å; N450-M454 VanDerWaalsContact O-N 3.1Å
451P69.7Low66.7Low99 Ų9991.8 Ų91.864%0.64348%0.483SS*.Hα-helixtrans-62-28.7-171.924.4-34.3000113.3T449 Q455T449-P451 WeakPolarHBondContact O-CD 3.4Å; P451-Q455 PolarHBondContact O-N 3.1Å
452R76.4Confident67.5Low202 Ų20294.7 Ų94.776%0.76249%0.493SS*.Hα-helixtrans-73.5-32.1173.6-81.4-172-179.1-150.30.4112.6N450 A456N450-R452 PolarHBondContact O-N 2.97Å; N450-R452 VanDerWaalsContact O-N 3.14Å; N450-R452 PolarHBondContact OD1-N 2.92Å; R452-A456 WeakPolarHBondContact O-CB 3.49Å; R452-A456 PolarHBondContact O-N 2.84Å
453A68Low67.7Low21 Ų2191.3 Ų91.317%0.17448%0.477CS..Hα-helixtrans-72.7-38.217800000111V447 N450 A456 L457V447-A453 HydrophobicContact CB-CB 4Å; V447-A453 HydrophobicContact CG1-CB 3.87Å; V447-A453 HydrophobicContact CG2-CB 3.9Å; N450-A453 HydrophobicContact CB-CB 3.83Å; N450-A453 WeakPolarHBondContact O-CA 3.37Å; N450-A453 WeakPolarHBondContact O-CB 3.17Å; N450-A453 PolarHBondContact O-N 3.05Å; A453-A456 PolarHBondContact O-N 3Å; A453-L457 VanDerWaalsContact O-CB 3.24Å; A453-L457 WeakPolarHBondContact O-CB 3.2Å; A453-L457 PolarHBondContact O-N 3.39Å
454M65Low67.7Low102 Ų10287.6 Ų87.650%0.50246%0.462SS..Hα-helixtrans-63.9-39.3171.7-172.5176.8166.800112.5N450 L457 M458N450-M454 PolarHBondContact O-N 2.72Å; N450-M454 VanDerWaalsContact O-N 3.1Å; M454-L457 PolarHBondContact O-N 3.42Å; M454-M458 WeakPolarHBondContact O-CB 3.38Å; M454-M458 PolarHBondContact O-N 3.25Å
455Q76.7Confident67.9Low143 Ų14392 Ų9267%0.66848%0.479SS*.Hα-helixtrans-63.3-44.7171.7-85179.3-21.200112.4P451 L457 M458 Q459P451-Q455 PolarHBondContact O-N 3.1Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 2.95Å; Q455-M458 PolarHBondContact O-N 3.43Å; Q455-Q459 PolarHBondContact O-N 2.97Å; Q455-Q459 VanDerWaalsContact O-N 3.13Å
456A72.3Confident68.4Low43 Ų4393 Ų9336%0.35549%0.487SS..Hα-helixtrans-65.1-36.6176.200000112R452 A453 Q459 I460R452-A456 WeakPolarHBondContact O-CB 3.49Å; R452-A456 PolarHBondContact O-N 2.84Å; A453-A456 PolarHBondContact O-N 3Å; A456-Q459 WeakPolarHBondContact O-CB 3.33Å; A456-Q459 PolarHBondContact O-N 3.41Å; A456-I460 WeakPolarHBondContact O-CB 2.96Å; A456-I460 VanDerWaalsContact O-CG1 3.28Å; A456-I460 WeakPolarHBondContact O-CG1 3.23Å; A456-I460 PolarHBondContact O-N 3.25Å
457L68Low68.1Low66 Ų6694.3 Ų94.335%0.34649%0.488SS..Hα-helixtrans-72.5-33.4179.2-142.4152.9000111.7V447 A453 M454 Q455 Q459 I460 Q461V447-L457 HydrophobicContact CG1-CD1 3.42Å; V447-L457 VanDerWaalsContact CG1-CD1 3.42Å; A453-L457 VanDerWaalsContact O-CB 3.24Å; A453-L457 WeakPolarHBondContact O-CB 3.2Å; A453-L457 PolarHBondContact O-N 3.39Å; M454-L457 PolarHBondContact O-N 3.42Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 2.95Å; L457-Q459 VanDerWaalsContact C-N 3.3Å; L457-I460 PolarHBondContact O-N 3.02Å; L457-Q461 WeakPolarHBondContact O-CB 3.2Å; L457-Q461 PolarHBondContact O-N 3.4Å
458M70.8Confident67.8Low140 Ų14097.4 Ų97.469%0.6950%0.5SS*.Hα-helixtrans-65.2-36.3170.4-166.2169.4120.500111.5M454 Q455 Q462M454-M458 WeakPolarHBondContact O-CB 3.38Å; M454-M458 PolarHBondContact O-N 3.25Å; Q455-M458 PolarHBondContact O-N 3.43Å; M458-Q462 PolarHBondContact O-N 3.14Å
459Q77.3Confident68.1Low152 Ų152100 Ų10071%0.7152%0.519SS*.Hα-helixtrans-70.3-37.2173.8-139.817212.300112.2Q455 A456 L457 G463Q455-Q459 PolarHBondContact O-N 2.97Å; Q455-Q459 VanDerWaalsContact O-N 3.13Å; A456-Q459 WeakPolarHBondContact O-CB 3.33Å; A456-Q459 PolarHBondContact O-N 3.41Å; L457-Q459 VanDerWaalsContact C-N 3.3Å; Q459-G463 PolarHBondContact O-N 3.44Å
460I74.6Confident67.3Low100 Ų100103 Ų10351%0.51353%0.528SS..Hα-helixtrans-70.9-39.3175.3-73.4164.5000111.5A456 L457 Q462 G463 L464A456-I460 WeakPolarHBondContact O-CB 2.96Å; A456-I460 VanDerWaalsContact O-CG1 3.28Å; A456-I460 WeakPolarHBondContact O-CG1 3.23Å; A456-I460 PolarHBondContact O-N 3.25Å; L457-I460 PolarHBondContact O-N 3.02Å; I460-Q462 VanDerWaalsContact C-N 3.28Å; I460-Q462 PolarHBondContact O-N 2.76Å; I460-G463 CarbonylContact O-C 3.6Å; I460-G463 PolarHBondContact O-N 2.94Å; I460-G463 VanDerWaalsContact O-N 3.12Å; I460-L464 HydrophobicContact CG2-CD1 4.14Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 PolarHBondContact O-N 3.47Å
461Q56.9Low66.7Low121 Ų121101.2 Ų101.257%0.56552%0.523SS*.Hα-helixtrans-62.8-40177.4-169.8178.6102.700110.3L457 L464 Q465L457-Q461 WeakPolarHBondContact O-CB 3.2Å; L457-Q461 PolarHBondContact O-N 3.4Å; Q461-L464 PolarHBondContact O-N 3.11Å; Q461-Q465 WeakPolarHBondContact O-CB 3.26Å; Q461-Q465 PolarHBondContact O-N 3.44Å
462Q72.2Confident65.8Low144 Ų144102.1 Ų102.167%0.67353%0.529SS*.Hα-helixtrans-66.3-40.4172.7-150.6165.978.400111.5M458 I460 Q465 T466M458-Q462 PolarHBondContact O-N 3.14Å; I460-Q462 VanDerWaalsContact C-N 3.28Å; I460-Q462 PolarHBondContact O-N 2.76Å; Q462-Q465 PolarHBondContact O-N 3.4Å; Q462-T466 PolarHBondContact O-N 3.45Å; Q462-T466 VanDerWaalsContact O-N 3.08Å; Q462-T466 PolarHBondContact O-OG1 3.01Å
463G67.5Low65Low32 Ų3295.3 Ų95.333%0.3352%0.522SS..Hα-helixtrans-67.8-33.1175.100000115Q459 I460 T466 L467Q459-G463 PolarHBondContact O-N 3.44Å; I460-G463 CarbonylContact O-C 3.6Å; I460-G463 PolarHBondContact O-N 2.94Å; I460-G463 VanDerWaalsContact O-N 3.12Å; G463-T466 PolarHBondContact O-N 2.83Å; G463-L467 WeakPolarHBondContact O-CB 3.36Å; G463-L467 PolarHBondContact O-N 3.44Å
464L67Low64.4Low76 Ų76100 Ų10040%0.39854%0.543SS..Hα-helixtrans-77.6-31.4175.9-109.6162.4000111.8I460 Q461 T466 L467 Q468 M475I460-L464 HydrophobicContact CG2-CD1 4.14Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 PolarHBondContact O-N 3.47Å; Q461-L464 PolarHBondContact O-N 3.11Å; L464-T466 VanDerWaalsContact C-N 3.34Å; L464-L467 PolarHBondContact O-N 3.28Å; L464-Q468 VanDerWaalsContact O-CB 3.28Å; L464-Q468 WeakPolarHBondContact O-CB 3.32Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 3.07Å; L464-M475 HydrophobicContact CD2-CE 3.43Å; L464-M475 VanDerWaalsContact CD2-CE 3.43Å
465Q65.9Low64Low112 Ų112100.3 Ų100.352%0.52355%0.545SS..Hα-helixtrans-65-41.4169.5-142.510062.400110.3Q461 Q462 T469Q461-Q465 WeakPolarHBondContact O-CB 3.26Å; Q461-Q465 PolarHBondContact O-N 3.44Å; Q462-Q465 PolarHBondContact O-N 3.4Å; Q465-T469 WeakPolarHBondContact O-CB 3.22Å; Q465-T469 PolarHBondContact O-N 2.88Å; Q465-T469 VanDerWaalsContact O-N 3.07Å; Q465-T469 PolarHBondContact O-OG1 2.87Å
466T68.9Low63.1Low67 Ų6797.9 Ų97.941%0.41154%0.541SS..Hα-helixtrans-64.7-44.9173.1-52.90000111.4Q462 G463 L464 T469 E470Q462-T466 PolarHBondContact O-N 3.45Å; Q462-T466 VanDerWaalsContact O-N 3.08Å; Q462-T466 PolarHBondContact O-OG1 3.01Å; G463-T466 PolarHBondContact O-N 2.83Å; L464-T466 VanDerWaalsContact C-N 3.34Å; T466-T469 CarbonylContact O-C 3.55Å; T466-T469 WeakPolarHBondContact O-CB 3.44Å; T466-T469 PolarHBondContact O-N 2.87Å; T466-T469 VanDerWaalsContact O-N 3.12Å; T466-E470 HydrophobicContact CG2-CG 4.38Å; T466-E470 WeakPolarHBondContact O-CB 3.12Å; T466-E470 WeakPolarHBondContact O-CG 3.37Å; T466-E470 PolarHBondContact O-N 3.39Å
467L59.5Low62.2Low91 Ų91100.8 Ų100.848%0.47656%0.559SS.*Hα-helixtrans-67.8-33.9176.5-108.697.5000113.9G463 L464 T469 E470 A471G463-L467 WeakPolarHBondContact O-CB 3.36Å; G463-L467 PolarHBondContact O-N 3.44Å; L464-L467 PolarHBondContact O-N 3.28Å; L467-T469 PolarHBondContact O-N 3.47Å; L467-E470 PolarHBondContact O-N 2.77Å; L467-A471 CarbonylContact O-C 3.36Å; L467-A471 WeakPolarHBondContact O-CA 3.26Å; L467-A471 PolarHBondContact O-N 3.32Å
468Q58.7Low61.7Low109 Ų109105.2 Ų105.251%0.50958%0.582SS.*Hα-helixtrans-66.2-30171.7-86.9-175.8-14.700111.6L464L464-Q468 VanDerWaalsContact O-CB 3.28Å; L464-Q468 WeakPolarHBondContact O-CB 3.32Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 3.07Å
469T63Low60.9Low116 Ų116107.1 Ų107.171%0.71259%0.591SS**Hα-helixtrans-81.4-33.4177.1-49.70000111.6Q465 T466 L467Q465-T469 WeakPolarHBondContact O-CB 3.22Å; Q465-T469 PolarHBondContact O-N 2.88Å; Q465-T469 VanDerWaalsContact O-N 3.07Å; Q465-T469 PolarHBondContact O-OG1 2.87Å; T466-T469 CarbonylContact O-C 3.55Å; T466-T469 WeakPolarHBondContact O-CB 3.44Å; T466-T469 PolarHBondContact O-N 2.87Å; T466-T469 VanDerWaalsContact O-N 3.12Å; L467-T469 PolarHBondContact O-N 3.47Å
470E52.5Low59.5Low151 Ų151105.6 Ų105.671%0.70659%0.593SS**Hα-helixtrans-96.2-29.2-176-72.2-175.4159.500114.8T466 L467T466-E470 HydrophobicContact CG2-CG 4.38Å; T466-E470 WeakPolarHBondContact O-CB 3.12Å; T466-E470 WeakPolarHBondContact O-CG 3.37Å; T466-E470 PolarHBondContact O-N 3.39Å; L467-E470 PolarHBondContact O-N 2.77Å
471A49.4Very low57.9Low39 Ų39103.9 Ų103.932%0.32260%0.6SS.*  trans-149.173.8-173.800000113.2L467 G473 L474L467-A471 CarbonylContact O-C 3.36Å; L467-A471 WeakPolarHBondContact O-CA 3.26Å; L467-A471 PolarHBondContact O-N 3.32Å; A471-G473 PolarHBondContact O-N 3.02Å; A471-L474 HydrophobicContact CB-CD1 4.28Å
472P51.6Low56.9Low117 Ų117101.5 Ų101.576%0.7661%0.608SS**THydrogen-bonded Turntrans-67.95.7-176.725.5-34.1000116.2
473G58.4Low55.3Low59 Ų59102.8 Ų102.861%0.60862%0.618SS**THydrogen-bonded Turntrans-102.1-6.5-173.800000117A471 P476A471-G473 PolarHBondContact O-N 3.02Å; G473-P476 WeakPolarHBondContact O-CD 3.21Å
474L56.3Low53.9Low119 Ų119107.3 Ų107.362%0.62364%0.641SS**SBendtrans-97.1-12.8-166.6-62.4176.8000115.2A471 P476A471-L474 HydrophobicContact CB-CD1 4.28Å; L474-P476 VanDerWaalsContact C-CD 3.44Å
475M56.8Low52.3Low109 Ų109106.9 Ų106.954%0.53766%0.655SS.*Hα-helixtrans-70.4-27.1-179.7-88.4-138.9-169.500117.1L464 S477L464-M475 HydrophobicContact CD2-CE 3.43Å; L464-M475 VanDerWaalsContact CD2-CE 3.43Å; M475-S477 VanDerWaalsContact C-N 3.25Å; M475-S477 PolarHBondContact O-N 3.3Å
476P57.2Low50.8Low92 Ų92108.4 Ų108.460%0.59767%0.672SS**Hα-helixtrans-70.9-22-178.7-15.529.1000113.6G473 L474 T480G473-P476 WeakPolarHBondContact O-CD 3.21Å; L474-P476 VanDerWaalsContact C-CD 3.44Å; P476-T480 PolarHBondContact O-OG1 2.83Å; P476-T480 VanDerWaalsContact O-OG1 3.14Å
477S54.2Low49.5Very low104 Ų104110.8 Ų110.873%0.72769%0.688SS**Hα-helixtrans-84.6-26.7-171.1-161.70000113.4M475M475-S477 VanDerWaalsContact C-N 3.25Å; M475-S477 PolarHBondContact O-N 3.3Å
478L56.6Low48Very low159 Ų159113 Ų11383%0.83271%0.706SS**Hα-helixtrans-97.2-21.9-172.5-16262.4000114.3
479M54.1Low46.6Very low180 Ų180111.7 Ų111.789%0.88772%0.722SS**SBendtrans-92.2-10.4177.6-87.7-93.1-13100114
480T49.3Very low45.1Very low121 Ų121109.9 Ų109.974%0.74273%0.726SS**SBendtrans-99.71.4177.3-47.70000112.5P476 G482P476-T480 PolarHBondContact O-OG1 2.83Å; P476-T480 VanDerWaalsContact O-OG1 3.14Å; T480-G482 PolarHBondContact O-N 2.8Å; T480-G482 VanDerWaalsContact O-N 3.09Å
481G40.2Very low43.9Very low64 Ų64107.7 Ų107.766%0.6673%0.734SS**  trans-86.266.9-174.600000114.4
482G35.7Very low43.2Very low71 Ų71112.4 Ų112.473%0.73276%0.758SS**PPolyproline II helixtrans-66.7128.9158.500000110.1T480T480-G482 PolarHBondContact O-N 2.8Å; T480-G482 VanDerWaalsContact O-N 3.09Å
483I38.4Very low43.1Very low171 Ų171112.3 Ų112.388%0.87776%0.758SS**PPolyproline II helixtrans-57.8141.5176.623.2170.1000112
484P37.4Very low41.7Very low126 Ų126113.7 Ų113.782%0.81876%0.764SS**PPolyproline II helixtrans-91.6145.4-169.135.5-33.2000113.3
485G33.9Very low40.3Very low68 Ų68117 Ų11770%0.70178%0.776SS**  trans158.885.2159.100000115
486V33.9Very low39.4Very low144 Ų144118.9 Ų118.987%0.87379%0.788SS**  173128.7118-80.10000110.1
487P42.3Very low38.5Very low116 Ų116120.1 Ų120.175%0.75380%0.796SS**  trans-85.9157.1172.835-29.6000109.8
488T28.5Very low37.2Very low137 Ų137119 Ų11984%0.8479%0.793SS**  177.8118.482.5-41.90000106.2
489G29.8Very low35.9Very low83 Ų83116.9 Ų116.986%0.85679%0.792SS**  93.6130.896.400000111.7
490G30.8Very low34.7Very low77 Ų77113.8 Ų113.879%0.79479%0.787SS**  cis175.9-173.12.600000110.3
491A27.6Very low34.1Very low106 Ų106113.8 Ų113.888%0.87679%0.79SS**  trans96.9128.4167.500000118.7
492V33.7Very low33.5Very low137 Ų137116 Ų11683%0.8380%0.795SS**  trans-121.6-169.6-164.8-71.90000108.9
493P50.1Low33.2Very low116 Ų116118 Ų11875%0.75380%0.798SS**  cis-134-164.6-29.522.82.6000112.7
494A29.2Very low32.9Very low88 Ų88114.8 Ų114.873%0.72780%0.797SS**  trans98.3143.4148.900000116.1
495E27.6Very low32.6Very low189 Ų189113.5 Ų113.588%0.88380%0.797SS**  cis-176.4140.3-12.2-171.5167.4122.600103.4
496N36.1Very low32.8Very low148 Ų148116.4 Ų116.479%0.79180%0.801SS**  trans-94148-179.7-144.218000108.8
497P38.7Very low33.4Very low118 Ų118115.6 Ų115.677%0.76679%0.792SS**  -154.7149.999.335-14.7000117.9
498A28Very low33.8Very low80 Ų80115.1 Ų115.166%0.66179%0.789SS**  trans62.2135.2135.400000124.4
499S27.7Very low35Very low115 Ų115112.5 Ų112.580%0.80478%0.781SS**  trans94.4119.6145.6-10.80000120.6
500S30.7Very low36.1Very low114 Ų114115.5 Ų115.580%0.79777%0.773SS**  trans-56.1167.4164.1-18.30000113.1
501P36.3Very low37.3Very low121 Ų121118.8 Ų118.879%0.78677%0.768SS**  cis-144.9170.336.237.5-15000118.4
502S26.4Very low38.7Very low111 Ų111121.2 Ų121.278%0.77676%0.761SS**  trans61117.2152.9-81.60000123.1
503S30.7Very low40Very low113 Ų113120.5 Ų120.579%0.7975%0.752SS**  trans62.5107.9134.959.10000120.4
504A31.4Very low40.7Very low103 Ų103121.9 Ų121.985%0.85175%0.75SS**  153.6103.7114.600000111.2
505A30.4Very low42.1Very low100 Ų100124.1 Ų124.183%0.82675%0.745SS**  trans-166.499.8154.500000109.1
506T39.6Very low43.6Very low128 Ų128121.7 Ų121.779%0.78573%0.734SS**  trans-81124.1179.6-52.30000109.8
507N46.1Very low44.7Very low128 Ų128121 Ų12168%0.68473%0.728SS**  trans-77.5136.1172.1-86.1-29.1000111.1A509N507-A509 PolarHBondContact O-N 3.28Å
508P49.8Very low45.9Very low105 Ų105120.7 Ų120.768%0.68272%0.719SS**THydrogen-bonded Turntrans-71.5-6.2-176.127.1-33.9000115.1Q510P508-Q510 VanDerWaalsContact C-N 3.32Å; P508-Q510 PolarHBondContact O-N 3.22Å
509A54.2Low47.2Very low82 Ų82123.9 Ų123.968%0.67872%0.72SS**Hα-helixtrans-73.7-20.9178.300000113.7N507N507-A509 PolarHBondContact O-N 3.28Å
510Q52.7Low48.5Very low147 Ų147125.5 Ų125.569%0.68772%0.716SS**Hα-helixtrans-85.1-21.7-177.3-163.9170.5-27.500113P508 M514P508-Q510 VanDerWaalsContact C-N 3.32Å; P508-Q510 PolarHBondContact O-N 3.22Å; Q510-M514 PolarHBondContact O-N 3.4Å
511Q55.6Low49.7Very low146 Ų146127.9 Ų127.968%0.68271%0.713SS**Hα-helixtrans-73.8-28.7176-99.1174.6300113M514 Q515Q511-M514 PolarHBondContact O-N 3.48Å; Q511-Q515 PolarHBondContact O-N 2.75Å; Q511-Q515 VanDerWaalsContact O-N 3.12Å
512Q58.6Low50.4Low157 Ų157126 Ų12673%0.73471%0.707SS**Hα-helixtrans-76.4-30.4-179.6-157139.5-14.400112.5Q516Q512-Q516 PolarHBondContact O-N 2.73Å
513L60.8Low51.3Low122 Ų122124.1 Ų124.164%0.63971%0.705SS**Hα-helixtrans-70.4-37171.1-164.387.2000111.7Q516 M517L513-Q516 PolarHBondContact O-N 2.96Å; L513-M517 PolarHBondContact O-N 3.48Å; L513-M517 VanDerWaalsContact O-N 3.12Å
514M63.8Low52.2Low144 Ų144121.7 Ų121.771%0.70970%0.698SS**Hα-helixtrans-68.3-34.3178.2-158.796.3157.200112.1Q510 Q511 L518Q510-M514 PolarHBondContact O-N 3.4Å; Q511-M514 PolarHBondContact O-N 3.48Å; M514-L518 PolarHBondContact O-N 2.84Å
515Q59.5Low52.5Low135 Ų135120.2 Ų120.263%0.63169%0.693SS**Hα-helixtrans-74.7-34.2176.5-148.1104.491.300112.3Q511 L518 Q519Q511-Q515 PolarHBondContact O-N 2.75Å; Q511-Q515 VanDerWaalsContact O-N 3.12Å; Q515-L518 PolarHBondContact O-N 3.32Å; Q515-Q519 PolarHBondContact O-N 3.17Å
516Q59.2Low52.8Low139 Ų139118.7 Ų118.765%0.6569%0.687SS**Hα-helixtrans-67.5-34.9174.3-169.3104.466.500111.9Q512 L513 M520Q512-Q516 PolarHBondContact O-N 2.73Å; L513-Q516 PolarHBondContact O-N 2.96Å; Q516-M520 PolarHBondContact O-N 3.23Å
517M59Low52.8Low134 Ų134118 Ų11866%0.6669%0.687SS**Hα-helixtrans-72.5-35.1177.9-165.4175.4-74.500112.5L513 M520 F521L513-M517 PolarHBondContact O-N 3.48Å; L513-M517 VanDerWaalsContact O-N 3.12Å; M517-M520 PolarHBondContact O-N 3.13Å; M517-F521 PolarHBondContact O-N 3.2Å; M517-F521 VanDerWaalsContact O-N 3.12Å
518L62.7Low52.8Low110 Ų110116.3 Ų116.358%0.57670%0.7SS**Hα-helixtrans-72-31.7175.9-168.960.7000112.5M514 Q515 F521 A522M514-L518 PolarHBondContact O-N 2.84Å; Q515-L518 PolarHBondContact O-N 3.32Å; L518-F521 PolarHBondContact O-N 3.33Å; L518-A522 VanDerWaalsContact O-CB 3.23Å; L518-A522 WeakPolarHBondContact O-CB 3.29Å; L518-A522 PolarHBondContact O-N 2.87Å
519Q57Low52Low147 Ų147114.3 Ų114.369%0.68770%0.699SS**Hα-helixtrans-72.4-28.6175.3-152.683.748.400112.5Q515 G523Q515-Q519 PolarHBondContact O-N 3.17Å; Q519-G523 PolarHBondContact O-N 2.91Å
520M54.5Low51.1Low149 Ų149114.2 Ų114.273%0.73471%0.706SS**Hα-helixtrans-80.7-27.7175.5-161.3178.7-66.400112.6Q516 M517Q516-M520 PolarHBondContact O-N 3.23Å; M517-M520 PolarHBondContact O-N 3.13Å
521F55Low50Low165 Ų165114.9 Ų114.972%0.72471%0.714SS**Hα-helixtrans-84-33.4175.3-166.6-105.7000113.1M517 L518 G525M517-F521 PolarHBondContact O-N 3.2Å; M517-F521 VanDerWaalsContact O-N 3.12Å; L518-F521 PolarHBondContact O-N 3.33Å; F521-G525 PolarHBondContact O-N 3.01Å
522A52.3Low48.9Very low80 Ų80110 Ų11066%0.66170%0.703SS**Hα-helixtrans-81.5-13.2176.200000113.9L518L518-A522 VanDerWaalsContact O-CB 3.23Å; L518-A522 WeakPolarHBondContact O-CB 3.29Å; L518-A522 PolarHBondContact O-N 2.87Å
523G44.7Very low48.1Very low72 Ų72107.7 Ų107.774%0.74270%0.7SS**SBendtrans-95.6-6.3171.900000114.9Q519Q519-G523 PolarHBondContact O-N 2.91Å
524G49.3Very low47Very low62 Ų62106.6 Ų106.664%0.63970%0.702SS**SBendtrans-121.810.6-177.800000114.3G526G524-G526 PolarHBondContact O-N 3.33Å
525G37.9Very low46.2Very low73 Ų73105.2 Ų105.275%0.75369%0.694SS**  trans-82.572.3-177.400000113.1F521F521-G525 PolarHBondContact O-N 3.01Å
526G36.6Very low45.8Very low68 Ų68102.6 Ų102.670%0.70169%0.687SS**SBendtrans-129.975.7166.600000110.8G524G524-G526 PolarHBondContact O-N 3.33Å
527S39.2Very low45.8Very low112 Ų11298 Ų9878%0.78367%0.67SS**  trans71.690.2160.1-174.10000118.4
528G47.3Very low46Very low93 Ų9396.4 Ų96.496%0.95966%0.661SS**  trans-83.7112.9139.200000109.6
529G33.2Very low46.3Very low64 Ų6494.7 Ų94.766%0.6666%0.655SS**  trans-166.2113.7174.400000109
530G35Very low47.1Very low79 Ų7991.6 Ų91.681%0.81464%0.637SS**  trans-67.7146.1-164.900000116.1
531N29.7Very low48.1Very low161 Ų16185.8 Ų85.886%0.86161%0.607SS**  trans-168.9163.9144.2-139.7-66.4000108.7
532G32.3Very low49.4Very low43 Ų4382.8 Ų82.844%0.44360%0.596SS.*SBendtrans-53.8159.3-17800000114.3S534G532-S534 PolarHBondContact O-N 3.34Å; G532-S534 PolarHBondContact O-OG 2.82Å; G532-S534 VanDerWaalsContact O-OG 3.05Å
533T40.7Very low50.9Low109 Ų10984 Ų8467%0.66960%0.595SS**  trans3282.3147.3-19.20000114.1R540T533-R540 VanDerWaalsContact CG2-NH1 3.29Å; T533-R540 PolarHBondContact O-NH1 3.25Å; T533-R540 PolarHBondContact O-NH2 2.83Å
534S38.8Very low52.7Low99 Ų9982.9 Ų82.969%0.69257%0.57SS**  trans-135.149.9166.57.60000112.6G532 T536 R540G532-S534 PolarHBondContact O-N 3.34Å; G532-S534 PolarHBondContact O-OG 2.82Å; G532-S534 VanDerWaalsContact O-OG 3.05Å; S534-T536 PolarHBondContact O-N 3.49Å; S534-R540 VanDerWaalsContact CA-NH2 3.34Å
535Q45.4Very low54.2Low115 Ų11580.1 Ų80.154%0.53754%0.541SS..SBendtrans-43.1129139.6-82.5-179.9-58.800106.8R540Q535-R540 HydrophobicContact CB-CB 4.38Å; Q535-R540 HydrophobicContact CB-CG 3.71Å; Q535-R540 HydrophobicContact CG-CG 4.41Å; Q535-R540 PolarHBondContact O-NE 3.02Å; Q535-R540 VanDerWaalsContact O-NE 3.16Å; Q535-R540 PolarHBondContact O-NH2 3.35Å
536T51.1Low56.4Low80 Ų8081.8 Ų81.849%0.49153%0.533SS..  trans-43.8130.1170.641.90000107.1S534 E538 V539 R540S534-T536 PolarHBondContact O-N 3.49Å; T536-E538 PolarHBondContact O-N 3.42Å; T536-V539 PolarHBondContact O-N 2.97Å; T536-V539 WeakPolarHBondContact OG1-CG2 3.44Å; T536-R540 PolarHBondContact O-N 2.63Å; T536-R540 VanDerWaalsContact O-N 3.09Å
537P59.1Low58.5Low44 Ų4483.1 Ų83.129%0.28652%0.521SS..Hα-helixtrans-56.7-25-173.122.5-33000111.5R540 F541 L560 I564P537-R540 PolarHBondContact O-N 3.48Å; P537-F541 HydrophobicContact CB-CD2 4.21Å; P537-F541 HydrophobicContact CB-CE2 4.24Å; P537-F541 WeakPolarHBondContact O-CB 3Å; P537-F541 WeakPolarHBondContact O-CD2 3.41Å; P537-F541 PolarHBondContact O-N 3.31Å; P537-L560 VanDerWaalsContact C-CD1 3.43Å; P537-L560 HydrophobicContact CB-CD1 3.95Å; P537-L560 HydrophobicContact CG-CD1 4.36Å; P537-I564 HydrophobicContact CB-CD1 3.54Å; P537-I564 HydrophobicContact CB-CG1 3.54Å; P537-I564 HydrophobicContact CG-CD1 3.65Å; P537-I564 HydrophobicContact CG-CG1 4.23Å
538E64.3Low60.5Low100 Ų10077.8 Ų77.847%0.46748%0.483SS..Hα-helixtrans-61.8-41.1170.1-83.2167.799.700114.3T536 Q542 L545 L560T536-E538 PolarHBondContact O-N 3.42Å; E538-Q542 WeakPolarHBondContact O-CA 3.34Å; E538-Q542 PolarHBondContact O-N 2.81Å; E538-L545 HydrophobicContact CG-CD1 4.38Å; E538-L560 HydrophobicContact CB-CD1 4.34Å; E538-L560 HydrophobicContact CG-CD1 3.72Å; E538-L560 HydrophobicContact CG-CD2 3.51Å; E538-L560 HydrophobicContact CG-CG 4.18Å
539V69.4Low62.2Low73 Ų7375.7 Ų75.744%0.44245%0.45SS..Hα-helixtrans-77.2-31.5179175.50000110.6T536T536-V539 PolarHBondContact O-N 2.97Å; T536-V539 WeakPolarHBondContact OG1-CG2 3.44Å
540R72.5Confident64.5Low83 Ų8376.7 Ų76.731%0.31345%0.452SS..Hα-helixtrans-68.9-39174.7-109.9-176.7-65.3-179.72.7113.1T533 S534 Q535 T536 P537T533-R540 VanDerWaalsContact CG2-NH1 3.29Å; T533-R540 PolarHBondContact O-NH1 3.25Å; T533-R540 PolarHBondContact O-NH2 2.83Å; S534-R540 VanDerWaalsContact CA-NH2 3.34Å; Q535-R540 HydrophobicContact CB-CB 4.38Å; Q535-R540 HydrophobicContact CB-CG 3.71Å; Q535-R540 HydrophobicContact CG-CG 4.41Å; Q535-R540 PolarHBondContact O-NE 3.02Å; Q535-R540 VanDerWaalsContact O-NE 3.16Å; Q535-R540 PolarHBondContact O-NH2 3.35Å; T536-R540 PolarHBondContact O-N 2.63Å; T536-R540 VanDerWaalsContact O-N 3.09Å; P537-R540 PolarHBondContact O-N 3.48Å
541F77.3Confident66.7Low27 Ų2777.4 Ų77.412%0.11844%0.435CS..THydrogen-bonded Turntrans-105.120.7-175.6-54.5-55.8000112.9P537 T543 Q544 L545 L560 L563 I564P537-F541 HydrophobicContact CB-CD2 4.21Å; P537-F541 HydrophobicContact CB-CE2 4.24Å; P537-F541 WeakPolarHBondContact O-CB 3Å; P537-F541 WeakPolarHBondContact O-CD2 3.41Å; P537-F541 PolarHBondContact O-N 3.31Å; F541-T543 VanDerWaalsContact C-N 3.33Å; F541-T543 PolarHBondContact O-N 2.85Å; F541-Q544 VanDerWaalsContact C-OE1 3.3Å; F541-Q544 HydrophobicContact CB-CB 4.4Å; F541-Q544 CarbonylContact O-C 3.59Å; F541-Q544 PolarHBondContact O-N 3.37Å; F541-Q544 VanDerWaalsContact O-N 3.16Å; F541-Q544 PolarHBondContact O-OE1 2.85Å; F541-L545 WeakPolarHBondContact O-CB 3.42Å; F541-L545 VanDerWaalsContact O-CG 3.27Å; F541-L545 WeakPolarHBondContact O-CG 3.09Å; F541-L545 PolarHBondContact O-N 3.09Å; F541-L560 HydrophobicContact CD2-CD1 4.48Å; F541-L563 HydrophobicContact CB-CB 4.25Å; F541-L563 HydrophobicContact CB-CD1 4.06Å; F541-L563 HydrophobicContact CD2-CB 4.11Å; F541-L563 HydrophobicContact CG-CB 4.08Å; F541-I564 HydrophobicContact CD2-CG1 4.3Å; F541-I564 HydrophobicContact CE2-CG1 3.98Å
542Q81.6Confident69Low102 Ų10272.1 Ų72.148%0.47742%0.419SS..Hα-helixtrans-57.3-45.5-175.6-164.89279.700111.8E538 L545 D546E538-Q542 WeakPolarHBondContact O-CA 3.34Å; E538-Q542 PolarHBondContact O-N 2.81Å; Q542-L545 PolarHBondContact O-N 3.46Å; Q542-D546 PolarHBondContact O-N 3.35Å
543T83.8Confident71.2Confident106 Ų10672 Ų7265%0.6541%0.406SS*.Hα-helixtrans-66.7-39.7178.7-44.70000111.4F541 D546 Q547F541-T543 VanDerWaalsContact C-N 3.33Å; F541-T543 PolarHBondContact O-N 2.85Å; T543-D546 PolarHBondContact O-N 3.49Å; T543-Q547 WeakPolarHBondContact O-CB 3.33Å; T543-Q547 PolarHBondContact O-N 3.07Å
544Q82.2Confident73.1Confident47 Ų4773.4 Ų73.422%0.2241%0.408CS..Hα-helixtrans-71.8-35.1178.6-64.277.57.100111.9F541 Q547 L548 L563 I570F541-Q544 VanDerWaalsContact C-OE1 3.3Å; F541-Q544 HydrophobicContact CB-CB 4.4Å; F541-Q544 CarbonylContact O-C 3.59Å; F541-Q544 PolarHBondContact O-N 3.37Å; F541-Q544 VanDerWaalsContact O-N 3.16Å; F541-Q544 PolarHBondContact O-OE1 2.85Å; Q544-Q547 PolarHBondContact O-N 3.49Å; Q544-L548 WeakPolarHBondContact O-CB 3.49Å; Q544-L548 WeakPolarHBondContact O-CG 3.2Å; Q544-L548 PolarHBondContact O-N 3.01Å; Q544-L563 HydrophobicContact CB-CD1 3.76Å; Q544-L563 HydrophobicContact CB-CD2 3.54Å; Q544-L563 HydrophobicContact CB-CG 4.31Å; Q544-L563 HydrophobicContact CG-CD2 4.03Å; Q544-I570 HydrophobicContact CB-CD1 4.28Å; Q544-I570 HydrophobicContact CB-CG1 3.81Å; Q544-I570 HydrophobicContact CG-CD1 3.77Å; Q544-I570 HydrophobicContact CG-CG1 3.6Å
545L81.2Confident75.2Confident4 Ų473.2 Ų73.22%0.02140%0.4CS..Hα-helixtrans-66.4-42.5173.5-77.5172.2000111.4E538 F541 Q542 Q547 L548 N549 N559 L560 L563E538-L545 HydrophobicContact CG-CD1 4.38Å; F541-L545 WeakPolarHBondContact O-CB 3.42Å; F541-L545 VanDerWaalsContact O-CG 3.27Å; F541-L545 WeakPolarHBondContact O-CG 3.09Å; F541-L545 PolarHBondContact O-N 3.09Å; Q542-L545 PolarHBondContact O-N 3.46Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; L545-L548 PolarHBondContact O-N 3.42Å; L545-N549 VanDerWaalsContact O-CB 3.23Å; L545-N549 WeakPolarHBondContact O-CB 3.4Å; L545-N549 PolarHBondContact O-N 3.17Å; L545-N559 HydrophobicContact CD2-CB 3.54Å; L545-L560 HydrophobicContact CD1-CD1 4.17Å; L545-L560 HydrophobicContact CD2-CB 4.15Å; L545-L563 HydrophobicContact CD2-CD1 3.86Å; L545-L563 HydrophobicContact CG-CD1 3.96Å
546D84.4Confident76.9Confident109 Ų10974.7 Ų74.758%0.58340%0.4SS*.Hα-helixtrans-64.4-40.3176.1-163.4-105.1000111.1Q542 T543 N549 A550Q542-D546 PolarHBondContact O-N 3.35Å; T543-D546 PolarHBondContact O-N 3.49Å; D546-N549 PolarHBondContact O-N 3.09Å; D546-A550 WeakPolarHBondContact O-CB 3.35Å; D546-A550 PolarHBondContact O-N 2.84Å
547Q80.3Confident78.4Confident95 Ų9578.3 Ų78.344%0.44441%0.412SS..Hα-helixtrans-66.4-42.4175.6-166.9167.421.400113T543 Q544 L545 N549 A550 M551T543-Q547 WeakPolarHBondContact O-CB 3.33Å; T543-Q547 PolarHBondContact O-N 3.07Å; Q544-Q547 PolarHBondContact O-N 3.49Å; L545-Q547 VanDerWaalsContact C-N 3.32Å; Q547-N549 VanDerWaalsContact C-N 3.32Å; Q547-N549 PolarHBondContact O-N 3.04Å; Q547-A550 PolarHBondContact O-N 3.42Å; Q547-M551 HydrophobicContact CG-CE 4.23Å; Q547-M551 WeakPolarHBondContact O-CG 3.32Å; Q547-M551 PolarHBondContact O-N 3.1Å
548L81.3Confident79.5Confident0 Ų077.9 Ų77.90%041%0.412CS..Hα-helixtrans-63.5-38.7173.4-77.8169.5000111.7Q544 L545 M551 G552 F553 N559 L563 I570 I574 L577Q544-L548 WeakPolarHBondContact O-CB 3.49Å; Q544-L548 WeakPolarHBondContact O-CG 3.2Å; Q544-L548 PolarHBondContact O-N 3.01Å; L545-L548 PolarHBondContact O-N 3.42Å; L548-M551 HydrophobicContact CD2-CE 3.92Å; L548-M551 HydrophobicContact CG-CE 4.44Å; L548-M551 CarbonylContact O-C 3.58Å; L548-M551 PolarHBondContact O-N 2.94Å; L548-G552 PolarHBondContact O-N 3.14Å; L548-F553 HydrophobicContact CB-CB 4.36Å; L548-F553 HydrophobicContact CD2-CD2 4.1Å; L548-F553 WeakPolarHBondContact O-CB 3.25Å; L548-F553 PolarHBondContact O-N 3.03Å; L548-N559 HydrophobicContact CB-CB 4.48Å; L548-N559 HydrophobicContact CD1-CB 3.79Å; L548-L563 HydrophobicContact CD1-CD1 3.46Å; L548-L563 VanDerWaalsContact CD1-CD1 3.46Å; L548-L563 HydrophobicContact CD1-CD2 4.43Å; L548-L563 HydrophobicContact CD1-CG 3.87Å; L548-I570 HydrophobicContact CD2-CG2 4.32Å; L548-I570 HydrophobicContact CG-CG2 4.49Å; L548-I574 HydrophobicContact CD2-CD1 4.31Å; L548-I574 HydrophobicContact CD2-CG1 3.5Å; L548-I574 VanDerWaalsContact CD2-CG1 3.5Å; L548-L577 HydrophobicContact CD1-CD1 4.13Å; L548-L577 HydrophobicContact CD2-CD1 4Å
549N83.6Confident80.4Confident50 Ų5073.2 Ų73.227%0.26739%0.39SS..Hα-helixtrans-67-38.6176.4-158.413.7000111.5L545 D546 Q547 M551 G552 F553 I554L545-N549 VanDerWaalsContact O-CB 3.23Å; L545-N549 WeakPolarHBondContact O-CB 3.4Å; L545-N549 PolarHBondContact O-N 3.17Å; D546-N549 PolarHBondContact O-N 3.09Å; Q547-N549 VanDerWaalsContact C-N 3.32Å; Q547-N549 PolarHBondContact O-N 3.04Å; N549-M551 VanDerWaalsContact C-N 3.27Å; N549-M551 PolarHBondContact O-N 2.83Å; N549-G552 PolarHBondContact O-N 3.22Å; N549-G552 VanDerWaalsContact O-N 3.09Å; N549-F553 WeakPolarHBondContact CA-O 3.37Å; N549-I554 WeakPolarHBondContact OD1-CA 3.26Å
550A81.3Confident81.2Confident85 Ų8570.8 Ų70.870%0.70237%0.374SS*.Hα-helixtrans-65.4-28.7172.600000113D546 Q547 G552D546-A550 WeakPolarHBondContact O-CB 3.35Å; D546-A550 PolarHBondContact O-N 2.84Å; Q547-A550 PolarHBondContact O-N 3.42Å; A550-G552 VanDerWaalsContact C-N 3.27Å
551M80.1Confident81.7Confident93 Ų9373.6 Ų73.646%0.45839%0.391SS..THydrogen-bonded Turntrans-82.70.1173.5-69.7-174.5-63.200113.7Q547 L548 N549 F553 I570 I574Q547-M551 HydrophobicContact CG-CE 4.23Å; Q547-M551 WeakPolarHBondContact O-CG 3.32Å; Q547-M551 PolarHBondContact O-N 3.1Å; L548-M551 HydrophobicContact CD2-CE 3.92Å; L548-M551 HydrophobicContact CG-CE 4.44Å; L548-M551 CarbonylContact O-C 3.58Å; L548-M551 PolarHBondContact O-N 2.94Å; N549-M551 VanDerWaalsContact C-N 3.27Å; N549-M551 PolarHBondContact O-N 2.83Å; M551-F553 HydrophobicContact CB-CD2 4.41Å; M551-I570 HydrophobicContact CE-CG2 3.84Å; M551-I574 HydrophobicContact CE-CD1 3.52Å; M551-I574 HydrophobicContact CE-CG1 4.19Å; M551-I574 HydrophobicContact SD-CD1 4.05Å
552G78.3Confident81.9Confident50 Ų5072.7 Ų72.752%0.51539%0.389SS..THydrogen-bonded Turntrans98.44.1174.800000115.1L548 N549 A550 I554L548-G552 PolarHBondContact O-N 3.14Å; N549-G552 PolarHBondContact O-N 3.22Å; N549-G552 VanDerWaalsContact O-N 3.09Å; A550-G552 VanDerWaalsContact C-N 3.27Å; G552-I554 PolarHBondContact O-N 3.35Å
553F78.2Confident82Confident40 Ų4067.9 Ų67.918%0.17537%0.366CS..  trans-84.792.1170.6-64.7-85.4000109.5L548 N549 M551 N559 I574 L577L548-F553 HydrophobicContact CB-CB 4.36Å; L548-F553 HydrophobicContact CD2-CD2 4.1Å; L548-F553 WeakPolarHBondContact O-CB 3.25Å; L548-F553 PolarHBondContact O-N 3.03Å; N549-F553 WeakPolarHBondContact CA-O 3.37Å; M551-F553 HydrophobicContact CB-CD2 4.41Å; F553-N559 WeakPolarHBondContact CB-ND2 3.43Å; F553-N559 WeakPolarHBondContact CB-OD1 3.35Å; F553-N559 PolarHBondContact O-ND2 3.3Å; F553-I574 HydrophobicContact CE2-CG1 4.28Å; F553-I574 HydrophobicContact CE2-CG2 4.1Å; F553-I574 HydrophobicContact CZ-CG2 4.06Å; F553-L577 HydrophobicContact CD1-CB 3.99Å; F553-L577 HydrophobicContact CD1-CD1 4.1Å; F553-L577 HydrophobicContact CE1-CB 3.76Å; F553-L577 HydrophobicContact CG-CD1 4.24Å; F553-L577 HydrophobicContact CZ-CB 4.45Å
554I80.8Confident81.9Confident139 Ų13967 Ų6771%0.71336%0.356SS*.  trans-80.5-19.7-170.6-53.3148000112.1N549 G552 R556N549-I554 WeakPolarHBondContact OD1-CA 3.26Å; G552-I554 PolarHBondContact O-N 3.35Å; I554-R556 PolarHBondContact O-N 3.14Å; I554-R556 VanDerWaalsContact O-N 3.08Å
555N83.9Confident81.9Confident96 Ų9667.3 Ų67.351%0.51337%0.367SS..  trans-79.893.9-177.5-168.6-32000111.4E557 A558 N559N555-E557 VanDerWaalsContact C-N 3.29Å; N555-E557 PolarHBondContact O-N 3.33Å; N555-E557 PolarHBondContact OD1-N 3.07Å; N555-A558 HydrophobicContact CB-CB 4.1Å; N555-A558 PolarHBondContact O-N 3.1Å; N555-A558 PolarHBondContact OD1-N 3.14Å; N555-A558 VanDerWaalsContact OD1-N 3.14Å; N555-N559 WeakPolarHBondContact O-CB 3.28Å; N555-N559 PolarHBondContact O-N 2.9Å; N555-N559 PolarHBondContact O-ND2 3.15Å; N555-N559 PolarHBondContact O-OD1 2.96Å
556R80.7Confident82Confident145 Ų14568.7 Ų68.755%0.54738%0.376SS..Hα-helixtrans-55.7-38.1179.4-92.8-176.1-167163.64.1113.8I554 L560I554-R556 PolarHBondContact O-N 3.14Å; I554-R556 VanDerWaalsContact O-N 3.08Å; R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.68Å
557E82.4Confident81.8Confident157 Ų15766.5 Ų66.573%0.73438%0.379SS*.Hα-helixtrans-70.3-44.8-178-76.6179.888.900111.8N555 N559 L560 Q561N555-E557 VanDerWaalsContact C-N 3.29Å; N555-E557 PolarHBondContact O-N 3.33Å; N555-E557 PolarHBondContact OD1-N 3.07Å; E557-N559 VanDerWaalsContact C-N 3.32Å; E557-N559 PolarHBondContact O-N 3.21Å; E557-L560 PolarHBondContact O-N 3.07Å; E557-Q561 WeakPolarHBondContact O-CB 3.39Å; E557-Q561 PolarHBondContact O-N 3.4Å
558A81.9Confident81.6Confident35 Ų3562.8 Ų62.829%0.28937%0.367SS..Hα-helixtrans-62.8-42.5175.200000111.1N555 Q561 A562 L577N555-A558 HydrophobicContact CB-CB 4.1Å; N555-A558 PolarHBondContact O-N 3.1Å; N555-A558 PolarHBondContact OD1-N 3.14Å; N555-A558 VanDerWaalsContact OD1-N 3.14Å; A558-Q561 PolarHBondContact O-N 3.1Å; A558-A562 WeakPolarHBondContact O-CB 3.43Å; A558-A562 PolarHBondContact O-N 3.09Å; A558-L577 HydrophobicContact CB-CD2 3.8Å
559N83.2Confident81.6Confident2 Ų267.3 Ų67.31%0.01139%0.391CS..Hα-helixtrans-64.4-42.9178.3-65.5-4.3000112L545 L548 F553 N555 E557 Q561 A562 L563 L577L545-N559 HydrophobicContact CD2-CB 3.54Å; L548-N559 HydrophobicContact CB-CB 4.48Å; L548-N559 HydrophobicContact CD1-CB 3.79Å; F553-N559 WeakPolarHBondContact CB-ND2 3.43Å; F553-N559 WeakPolarHBondContact CB-OD1 3.35Å; F553-N559 PolarHBondContact O-ND2 3.3Å; N555-N559 WeakPolarHBondContact O-CB 3.28Å; N555-N559 PolarHBondContact O-N 2.9Å; N555-N559 PolarHBondContact O-ND2 3.15Å; N555-N559 PolarHBondContact O-OD1 2.96Å; E557-N559 VanDerWaalsContact C-N 3.32Å; E557-N559 PolarHBondContact O-N 3.21Å; N559-Q561 VanDerWaalsContact C-N 3.33Å; N559-A562 PolarHBondContact O-N 2.9Å; N559-L563 VanDerWaalsContact O-CB 3.32Å; N559-L563 WeakPolarHBondContact O-CB 3.48Å; N559-L563 WeakPolarHBondContact O-CD1 3.29Å; N559-L563 WeakPolarHBondContact O-CG 3.15Å; N559-L563 PolarHBondContact O-N 2.8Å; N559-L577 HydrophobicContact CB-CD1 4.38Å; N559-L577 WeakPolarHBondContact OD1-CD1 3.28Å; N559-L577 WeakPolarHBondContact OD1-CD2 3.24Å
560L85.3Confident81.5Confident21 Ų2166.5 Ų66.511%0.1139%0.386CS..Hα-helixtrans-61.3-44.9176.4177.970.1000110.5P537 E538 F541 L545 R556 E557 L563 I564P537-L560 VanDerWaalsContact C-CD1 3.43Å; P537-L560 HydrophobicContact CB-CD1 3.95Å; P537-L560 HydrophobicContact CG-CD1 4.36Å; E538-L560 HydrophobicContact CB-CD1 4.34Å; E538-L560 HydrophobicContact CG-CD1 3.72Å; E538-L560 HydrophobicContact CG-CD2 3.51Å; E538-L560 HydrophobicContact CG-CG 4.18Å; F541-L560 HydrophobicContact CD2-CD1 4.48Å; L545-L560 HydrophobicContact CD1-CD1 4.17Å; L545-L560 HydrophobicContact CD2-CB 4.15Å; R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.68Å; E557-L560 PolarHBondContact O-N 3.07Å; L560-L563 PolarHBondContact O-N 3.49Å; L560-I564 HydrophobicContact CD1-CD1 4.21Å; L560-I564 HydrophobicContact CD1-CG1 4.45Å; L560-I564 HydrophobicContact CD2-CD1 4.45Å; L560-I564 HydrophobicContact CG-CD1 3.83Å; L560-I564 HydrophobicContact CG-CG1 4.47Å; L560-I564 WeakPolarHBondContact O-CB 3.41Å; L560-I564 WeakPolarHBondContact O-CD1 3.36Å; L560-I564 WeakPolarHBondContact O-CG1 3.48Å; L560-I564 PolarHBondContact O-N 3.46Å
561Q83.5Confident81.5Confident143 Ų14368 Ų6867%0.66838%0.382SS*.Hα-helixtrans-66.8-38.3179.5-167.3164.15.700112.1E557 A558 N559 A565E557-Q561 WeakPolarHBondContact O-CB 3.39Å; E557-Q561 PolarHBondContact O-N 3.4Å; A558-Q561 PolarHBondContact O-N 3.1Å; N559-Q561 VanDerWaalsContact C-N 3.33Å; Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.31Å
562A81.8Confident81.7Confident8 Ų865.3 Ų65.37%0.06638%0.375CS..Hα-helixtrans-64-44.5172.800000111.6A558 N559 A565 T566 A573 L577A558-A562 WeakPolarHBondContact O-CB 3.43Å; A558-A562 PolarHBondContact O-N 3.09Å; N559-A562 PolarHBondContact O-N 2.9Å; A562-A565 CarbonylContact O-C 3.48Å; A562-A565 PolarHBondContact O-N 3.13Å; A562-T566 WeakPolarHBondContact O-CG2 3.45Å; A562-T566 PolarHBondContact O-N 2.93Å; A562-T566 PolarHBondContact O-OG1 3.22Å; A562-T566 VanDerWaalsContact O-OG1 3.07Å; A562-A573 HydrophobicContact CB-CB 3.92Å; A562-L577 HydrophobicContact CB-CD1 4.11Å; A562-L577 HydrophobicContact CB-CD2 4.08Å; A562-L577 HydrophobicContact CB-CG 3.7Å
563L83.4Confident81.8Confident0 Ų062.9 Ų62.90%035%0.35CS..Hα-helixtrans-66.5-38.4177.9-80.4159.9000113.2F541 Q544 L545 L548 N559 L560 A565 T566 G567 G568 I570 A573F541-L563 HydrophobicContact CB-CB 4.25Å; F541-L563 HydrophobicContact CB-CD1 4.06Å; F541-L563 HydrophobicContact CD2-CB 4.11Å; F541-L563 HydrophobicContact CG-CB 4.08Å; Q544-L563 HydrophobicContact CB-CD1 3.76Å; Q544-L563 HydrophobicContact CB-CD2 3.54Å; Q544-L563 HydrophobicContact CB-CG 4.31Å; Q544-L563 HydrophobicContact CG-CD2 4.03Å; L545-L563 HydrophobicContact CD2-CD1 3.86Å; L545-L563 HydrophobicContact CG-CD1 3.96Å; L548-L563 HydrophobicContact CD1-CD1 3.46Å; L548-L563 VanDerWaalsContact CD1-CD1 3.46Å; L548-L563 HydrophobicContact CD1-CD2 4.43Å; L548-L563 HydrophobicContact CD1-CG 3.87Å; N559-L563 VanDerWaalsContact O-CB 3.32Å; N559-L563 WeakPolarHBondContact O-CB 3.48Å; N559-L563 WeakPolarHBondContact O-CD1 3.29Å; N559-L563 WeakPolarHBondContact O-CG 3.15Å; N559-L563 PolarHBondContact O-N 2.8Å; L560-L563 PolarHBondContact O-N 3.49Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-T566 PolarHBondContact O-N 3.4Å; L563-T566 PolarHBondContact O-OG1 2.85Å; L563-G567 PolarHBondContact O-N 3.41Å; L563-G568 PolarHBondContact O-N 2.78Å; L563-I570 HydrophobicContact CD2-CG1 4.4Å; L563-A573 HydrophobicContact CD2-CB 4.14Å; L563-A573 HydrophobicContact CG-CB 4.09Å
564I82.8Confident82Confident87 Ų8762.7 Ų62.745%0.44635%0.351SS..Hα-helixtrans-62.9-43.3171.9-68.3162.8000109.7P537 F541 L560 T566 G567P537-I564 HydrophobicContact CB-CD1 3.54Å; P537-I564 HydrophobicContact CB-CG1 3.54Å; P537-I564 HydrophobicContact CG-CD1 3.65Å; P537-I564 HydrophobicContact CG-CG1 4.23Å; F541-I564 HydrophobicContact CD2-CG1 4.3Å; F541-I564 HydrophobicContact CE2-CG1 3.98Å; L560-I564 HydrophobicContact CD1-CD1 4.21Å; L560-I564 HydrophobicContact CD1-CG1 4.45Å; L560-I564 HydrophobicContact CD2-CD1 4.45Å; L560-I564 HydrophobicContact CG-CD1 3.83Å; L560-I564 HydrophobicContact CG-CG1 4.47Å; L560-I564 WeakPolarHBondContact O-CB 3.41Å; L560-I564 WeakPolarHBondContact O-CD1 3.36Å; L560-I564 WeakPolarHBondContact O-CG1 3.48Å; L560-I564 PolarHBondContact O-N 3.46Å; I564-T566 VanDerWaalsContact C-N 3.3Å; I564-T566 PolarHBondContact O-N 3.25Å; I564-G567 PolarHBondContact O-N 2.94Å
565A81.9Confident82.1Confident54 Ų5463.2 Ų63.245%0.44635%0.35SS..Hα-helixtrans-74.6-19-176.100000113.7Q561 A562 L563Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.31Å; A562-A565 CarbonylContact O-C 3.48Å; A562-A565 PolarHBondContact O-N 3.13Å; L563-A565 VanDerWaalsContact C-N 3.31Å
566T84.1Confident81.8Confident33 Ų3365.1 Ų65.120%0.20235%0.35CS..Hα-helixtrans-1041.2174.562.50000113.2A562 L563 I564 G568 D569 A572 A573A562-T566 WeakPolarHBondContact O-CG2 3.45Å; A562-T566 PolarHBondContact O-N 2.93Å; A562-T566 PolarHBondContact O-OG1 3.22Å; A562-T566 VanDerWaalsContact O-OG1 3.07Å; L563-T566 PolarHBondContact O-N 3.4Å; L563-T566 PolarHBondContact O-OG1 2.85Å; I564-T566 VanDerWaalsContact C-N 3.3Å; I564-T566 PolarHBondContact O-N 3.25Å; T566-G568 VanDerWaalsContact C-N 3.31Å; T566-G568 PolarHBondContact O-N 3.32Å; T566-D569 PolarHBondContact OG1-O 3.32Å; T566-A572 HydrophobicContact CG2-CB 3.61Å; T566-A573 HydrophobicContact CG2-CB 4.41Å
567G79.9Confident81.7Confident64 Ų6458.8 Ų58.866%0.6633%0.327SS*.THydrogen-bonded Turntrans70.423.217900000114.4L563 I564L563-G567 PolarHBondContact O-N 3.41Å; I564-G567 PolarHBondContact O-N 2.94Å
568G75.1Confident81.5Confident17 Ų1756.8 Ų56.818%0.17532%0.32CS..THydrogen-bonded Turntrans98.84.6-179.400000115.1L563 T566 I570L563-G568 PolarHBondContact O-N 2.78Å; T566-G568 VanDerWaalsContact C-N 3.31Å; T566-G568 PolarHBondContact O-N 3.32Å; G568-I570 PolarHBondContact O-N 3.12Å
569D81.9Confident81.1Confident95 Ų9558.4 Ų58.451%0.50834%0.34SS..  trans-83.1113.8178.8-139.2-52.9000110.9T566 A572 A573T566-D569 PolarHBondContact OG1-O 3.32Å; D569-A572 HydrophobicContact CB-CB 4.28Å; D569-A573 VanDerWaalsContact O-CB 3.26Å; D569-A573 WeakPolarHBondContact O-CB 3.37Å; D569-A573 PolarHBondContact O-N 2.99Å
570I80.1Confident80.1Confident33 Ų3362.5 Ų62.517%0.16937%0.369CS..Hα-helixtrans-68.9-41.8-171.7-65.2150.4000111.2Q544 L548 M551 L563 G568 A573 I574Q544-I570 HydrophobicContact CB-CD1 4.28Å; Q544-I570 HydrophobicContact CB-CG1 3.81Å; Q544-I570 HydrophobicContact CG-CD1 3.77Å; Q544-I570 HydrophobicContact CG-CG1 3.6Å; L548-I570 HydrophobicContact CD2-CG2 4.32Å; L548-I570 HydrophobicContact CG-CG2 4.49Å; M551-I570 HydrophobicContact CE-CG2 3.84Å; L563-I570 HydrophobicContact CD2-CG1 4.4Å; G568-I570 PolarHBondContact O-N 3.12Å; I570-A573 WeakPolarHBondContact O-CB 3.49Å; I570-A573 PolarHBondContact O-N 2.73Å; I570-I574 HydrophobicContact CG2-CD1 3.96Å; I570-I574 HydrophobicContact CG2-CG1 4.44Å; I570-I574 VanDerWaalsContact O-CG1 3.23Å; I570-I574 WeakPolarHBondContact O-CG1 3.41Å; I570-I574 PolarHBondContact O-N 3.45Å
571N83.2Confident78.6Confident116 Ų11667.5 Ų67.562%0.6239%0.392SS*.Hα-helixtrans-68-43.5-177-68.3-57.5000111.8A573 I574 E575N571-A573 VanDerWaalsContact C-N 3.28Å; N571-A573 PolarHBondContact O-N 3.43Å; N571-I574 WeakPolarHBondContact O-CB 3.28Å; N571-I574 PolarHBondContact O-N 2.89Å; N571-E575 PolarHBondContact O-N 3.08Å; N571-E575 VanDerWaalsContact O-N 3.07Å
572A82.8Confident77.3Confident36 Ų3666.4 Ų66.430%0.29840%0.398SS..Hα-helixtrans-66.4-32.417400000111.8T566 D569 E575 R576T566-A572 HydrophobicContact CG2-CB 3.61Å; D569-A572 HydrophobicContact CB-CB 4.28Å; A572-E575 PolarHBondContact O-N 3.44Å; A572-R576 PolarHBondContact O-N 2.96Å; A572-R576 VanDerWaalsContact O-N 3.11Å
573A81.7Confident75.3Confident0 Ų075.2 Ų75.20%046%0.458CS..Hα-helixtrans-67.8-38.917600000111A562 L563 T566 D569 I570 N571 R576 L577A562-A573 HydrophobicContact CB-CB 3.92Å; L563-A573 HydrophobicContact CD2-CB 4.14Å; L563-A573 HydrophobicContact CG-CB 4.09Å; T566-A573 HydrophobicContact CG2-CB 4.41Å; D569-A573 VanDerWaalsContact O-CB 3.26Å; D569-A573 WeakPolarHBondContact O-CB 3.37Å; D569-A573 PolarHBondContact O-N 2.99Å; I570-A573 WeakPolarHBondContact O-CB 3.49Å; I570-A573 PolarHBondContact O-N 2.73Å; N571-A573 VanDerWaalsContact C-N 3.28Å; N571-A573 PolarHBondContact O-N 3.43Å; A573-R576 PolarHBondContact O-N 3.24Å; A573-L577 WeakPolarHBondContact O-CB 3.43Å; A573-L577 WeakPolarHBondContact O-CD1 3.43Å; A573-L577 VanDerWaalsContact O-CG 3.23Å; A573-L577 WeakPolarHBondContact O-CG 3.42Å; A573-L577 PolarHBondContact O-N 3.48Å
574I82.2Confident74.9Confident36 Ų3679 Ų7919%0.18548%0.481CS..Hα-helixtrans-62.1-45.8173.4-65.8162.7000110.8L548 M551 F553 I570 N571 R576 L577 L578L548-I574 HydrophobicContact CD2-CD1 4.31Å; L548-I574 HydrophobicContact CD2-CG1 3.5Å; L548-I574 VanDerWaalsContact CD2-CG1 3.5Å; M551-I574 HydrophobicContact CE-CD1 3.52Å; M551-I574 HydrophobicContact CE-CG1 4.19Å; M551-I574 HydrophobicContact SD-CD1 4.05Å; F553-I574 HydrophobicContact CE2-CG1 4.28Å; F553-I574 HydrophobicContact CE2-CG2 4.1Å; F553-I574 HydrophobicContact CZ-CG2 4.06Å; I570-I574 HydrophobicContact CG2-CD1 3.96Å; I570-I574 HydrophobicContact CG2-CG1 4.44Å; I570-I574 VanDerWaalsContact O-CG1 3.23Å; I570-I574 WeakPolarHBondContact O-CG1 3.41Å; I570-I574 PolarHBondContact O-N 3.45Å; N571-I574 WeakPolarHBondContact O-CB 3.28Å; N571-I574 PolarHBondContact O-N 2.89Å; I574-R576 VanDerWaalsContact C-N 3.29Å; I574-R576 PolarHBondContact O-N 3.48Å; I574-L577 PolarHBondContact O-N 3.03Å; I574-L578 VanDerWaalsContact O-CB 3.24Å; I574-L578 WeakPolarHBondContact O-CB 3.48Å; I574-L578 PolarHBondContact O-N 2.78Å
575E81.9Confident74.4Confident149 Ų14978.5 Ų78.570%0.69648%0.483SS*.Hα-helixtrans-61.4-38.1178.2-73.3-174.3103.500112.1N571 A572 G579N571-E575 PolarHBondContact O-N 3.08Å; N571-E575 VanDerWaalsContact O-N 3.07Å; A572-E575 PolarHBondContact O-N 3.44Å; E575-G579 PolarHBondContact O-N 3.46Å
576R79.1Confident74Confident136 Ų13679.9 Ų79.951%0.51349%0.485SS..Hα-helixtrans-71-41.4173.4-70.2-169.1100.6161.25.6112.5A572 A573 I574 L578 G579 S580A572-R576 PolarHBondContact O-N 2.96Å; A572-R576 VanDerWaalsContact O-N 3.11Å; A573-R576 PolarHBondContact O-N 3.24Å; I574-R576 VanDerWaalsContact C-N 3.29Å; I574-R576 PolarHBondContact O-N 3.48Å; R576-L578 VanDerWaalsContact C-N 3.33Å; R576-L578 PolarHBondContact O-N 3.44Å; R576-G579 CarbonylContact O-C 3.55Å; R576-G579 PolarHBondContact O-N 2.78Å; R576-S580 WeakPolarHBondContact O-CB 3.42Å; R576-S580 PolarHBondContact O-N 2.67Å; R576-S580 PolarHBondContact O-OG 3.07Å
577L78.1Confident73.4Confident13 Ų1382.6 Ų82.67%0.06850%0.502CS..Hα-helixtrans-64.1-38.8177.5-76.2163.9000112.1L548 F553 A558 N559 A562 A573 I574 S580 Q581L548-L577 HydrophobicContact CD1-CD1 4.13Å; L548-L577 HydrophobicContact CD2-CD1 4Å; F553-L577 HydrophobicContact CD1-CB 3.99Å; F553-L577 HydrophobicContact CD1-CD1 4.1Å; F553-L577 HydrophobicContact CE1-CB 3.76Å; F553-L577 HydrophobicContact CG-CD1 4.24Å; F553-L577 HydrophobicContact CZ-CB 4.45Å; A558-L577 HydrophobicContact CB-CD2 3.8Å; N559-L577 HydrophobicContact CB-CD1 4.38Å; N559-L577 WeakPolarHBondContact OD1-CD1 3.28Å; N559-L577 WeakPolarHBondContact OD1-CD2 3.24Å; A562-L577 HydrophobicContact CB-CD1 4.11Å; A562-L577 HydrophobicContact CB-CD2 4.08Å; A562-L577 HydrophobicContact CB-CG 3.7Å; A573-L577 WeakPolarHBondContact O-CB 3.43Å; A573-L577 WeakPolarHBondContact O-CD1 3.43Å; A573-L577 VanDerWaalsContact O-CG 3.23Å; A573-L577 WeakPolarHBondContact O-CG 3.42Å; A573-L577 PolarHBondContact O-N 3.48Å; I574-L577 PolarHBondContact O-N 3.03Å; L577-S580 PolarHBondContact O-N 2.95Å; L577-Q581 PolarHBondContact O-N 3.12Å
578L78.2Confident73Confident114 Ų11483.8 Ų83.860%0.59749%0.492SS*.Hα-helixtrans-71.5-34176.9-167.265.8000111.8I574 R576I574-L578 VanDerWaalsContact O-CB 3.24Å; I574-L578 WeakPolarHBondContact O-CB 3.48Å; I574-L578 PolarHBondContact O-N 2.78Å; R576-L578 VanDerWaalsContact C-N 3.33Å; R576-L578 PolarHBondContact O-N 3.44Å
579G72.1Confident72.9Confident69 Ų6988.3 Ų88.371%0.71151%0.513SS*.Hα-helixtrans-77.9-16.5172.200000114.9E575 R576E575-G579 PolarHBondContact O-N 3.46Å; R576-G579 CarbonylContact O-C 3.55Å; R576-G579 PolarHBondContact O-N 2.78Å
580S64.1Low72.3Confident88 Ų8887.8 Ų87.862%0.61551%0.514SS*.Hα-helixtrans-103.2-3.5-177.4-51.20000113.7R576 L577 P582R576-S580 WeakPolarHBondContact O-CB 3.42Å; R576-S580 PolarHBondContact O-N 2.67Å; R576-S580 PolarHBondContact O-OG 3.07Å; L577-S580 PolarHBondContact O-N 2.95Å; S580-P582 WeakPolarHBondContact O-CD 3.47Å
581Q53.1Low71.7Confident126 Ų12692 Ų9259%0.58954%0.54SS*.  trans-72.3111.1171.1-92.4-171.9-25.500109.4L577 S583L577-Q581 PolarHBondContact O-N 3.12Å; Q581-S583 PolarHBondContact O-N 2.82Å
582P55.2Low70.7Confident121 Ų12190 Ų9079%0.78653%0.533SS*.  trans-65.5132.816229.9-32.2000108S580S580-P582 WeakPolarHBondContact O-CD 3.47Å
583S39.9Very low69.6Low192 Ų19294.9 Ų94.9100%1.34356%0.555SS**  trans-58.20179.5-51.70000113.7Q581Q581-S583 PolarHBondContact O-N 2.82Å

Retrieved 583 of 583 residues in 127.2 ms (Link to these results)