A0A087YCT8_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase CYLD

AlphaFold DB , UniProt , Accession A0A087YCT8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 947 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
1M29.5Very low27.7Very low248 Ų248148.3 Ų148.3100%1.22284%0.84SS**  0129.60-48.4176.6-166.700106.1
2S29.1Very low27.8Very low103 Ų103141.8 Ų141.872%0.7283%0.831SS**  cis-153113.7-0.540.90000106
3S24.9Very low28.6Very low108 Ų108146.6 Ų146.676%0.75584%0.836SS**  72.9118.978.570.10000115.4
4A29.2Very low29.3Very low93 Ų93153.4 Ų153.477%0.76984%0.842SS**  trans69.2147.1158.500000117.7
5L28.3Very low31Very low136 Ų136149.1 Ų149.171%0.71281%0.813SS**  cis-124.6159.1-10.2-79.694.1000110.6E7L5-E7 HydrophobicContact CB-CG 4.44Å; L5-E7 HydrophobicContact CD2-CG 3.97Å
6W30.7Very low33Very low261 Ų261144.3 Ų144.399%0.98979%0.786SS**  trans-110.9119.5150.9-82.760.6000107.4
7E24.6Very low35.4Very low171 Ų171144 Ų14480%0.79977%0.771SS**  trans-108.1149.5169.6-68.5-156.7126.300111.4L5L5-E7 HydrophobicContact CB-CG 4.44Å; L5-E7 HydrophobicContact CD2-CG 3.97Å
8K25.9Very low38.2Very low184 Ų184141.9 Ų141.980%0.875%0.751SS**  trans-80.1154.6179.3-65.7174.9178.9176.10110.2S10K8-S10 PolarHBondContact O-N 2.91Å; K8-S10 VanDerWaalsContact O-N 3.12Å
9P27.5Very low41Very low139 Ų139134.6 Ų134.690%0.90371%0.712SS**  trans-60.7116.3162.327.6-33.5000109.1
10S28Very low43.6Very low110 Ų110128.2 Ų128.277%0.76968%0.677SS**  trans-117.9133.3-169.857.60000112.5K8K8-S10 PolarHBondContact O-N 2.91Å; K8-S10 VanDerWaalsContact O-N 3.12Å
11G26.7Very low45.9Very low78 Ų78122 Ų12280%0.80465%0.645SS**  trans85.9106162.600000115.7
12G29.5Very low48.8Very low71 Ų71110.2 Ų110.273%0.73259%0.587SS**  trans-65.8163.7145.500000110.1R14G12-R14 PolarHBondContact O-N 3.41Å
13F38.4Very low51.6Low204 Ų204107.3 Ų107.390%0.89556%0.564SS**  trans-56.8112.7-179.3-65.4-90.6000111.2E15F13-E15 PolarHBondContact O-N 2.96Å
14R37.8Very low54.5Low242 Ų242108 Ų10891%0.91355%0.554SS**  trans-72.6101.2157.7-82.8-171.8167.5-152.2-5.6107.6G12G12-R14 PolarHBondContact O-N 3.41Å
15E55.2Low57.1Low89 Ų89107.6 Ų107.642%0.41654%0.536SS..  trans-61.2153.4148.8-64.8-163.8117.600108.5F13 W17 R67F13-E15 PolarHBondContact O-N 2.96Å; E15-W17 PolarHBondContact O-N 3.05Å; E15-R67 IonicContact OE1-CZ 3.99Å; E15-R67 VanDerWaalsContact OE1-CZ 3.28Å; E15-R67 IonicContact OE1-NH1 3.95Å; E15-R67 PolarHBondContact OE1-NH1 3.06Å; E15-R67 IonicContact OE1-NH2 2.66Å; E15-R67 PolarHBondContact OE1-NH2 2.88Å; E15-R67 IonicContact OE2-NH1 2.72Å; E15-R67 PolarHBondContact OE2-NH1 3.05Å
16D62Low59.6Low71 Ų71102 Ų10238%0.3851%0.508SS..  trans-86.3105.2-173.3-146-32.7000108.2R18 A46D16-R18 VanDerWaalsContact CG-NH2 3.28Å; D16-R18 PolarHBondContact O-N 2.83Å; D16-R18 IonicContact OD1-CZ 3.81Å; D16-R18 IonicContact OD1-NE 3.57Å; D16-R18 PolarHBondContact OD1-NE 3.19Å; D16-R18 IonicContact OD1-NH2 3.3Å; D16-R18 PolarHBondContact OD1-NH2 3.02Å; D16-R18 VanDerWaalsContact OD1-NH2 3.07Å; D16-R18 IonicContact OD2-CZ 2.63Å; D16-R18 IonicContact OD2-NE 4Å; D16-R18 IonicContact OD2-NH2 3.7Å; D16-R18 PolarHBondContact OD2-NH2 2.97Å; D16-A46 HydrophobicContact CB-CB 4.04Å
17W74Confident61.8Low140 Ų14094.1 Ų94.153%0.5349%0.489SS..  trans-7650.7-177.2-6780.4000111.6E15 F19 E88E15-W17 PolarHBondContact O-N 3.05Å; W17-F19 HydrophobicContact CE3-CE2 4.29Å; W17-F19 HydrophobicContact CE3-CZ 4.05Å; W17-E88 VanDerWaalsContact CE3-OE1 3.31Å
18R86.8Confident63.8Low107 Ų10787.9 Ų87.940%0.40446%0.462SS..  trans-120.4121.4175.5-76.3-178.2-76.6170.6-1.3108.9D16 Y20 A46 E85D16-R18 VanDerWaalsContact CG-NH2 3.28Å; D16-R18 PolarHBondContact O-N 2.83Å; D16-R18 IonicContact OD1-CZ 3.81Å; D16-R18 IonicContact OD1-NE 3.57Å; D16-R18 PolarHBondContact OD1-NE 3.19Å; D16-R18 IonicContact OD1-NH2 3.3Å; D16-R18 PolarHBondContact OD1-NH2 3.02Å; D16-R18 VanDerWaalsContact OD1-NH2 3.07Å; D16-R18 IonicContact OD2-CZ 2.63Å; D16-R18 IonicContact OD2-NE 4Å; D16-R18 IonicContact OD2-NH2 3.7Å; D16-R18 PolarHBondContact OD2-NH2 2.97Å; R18-Y20 HydrophobicContact CB-CE2 3.93Å; R18-A46 HydrophobicContact CB-CB 4.25Å; R18-A46 PolarHBondContact O-N 2.75Å; R18-E85 VanDerWaalsContact CD-OE1 3.3Å; R18-E85 WeakPolarHBondContact CD-OE1 3.49Å
19F90.9Very high65.3Low2 Ų287 Ų871%0.00946%0.461CS..EExtended strand (participates in β ladder)trans-107150.9-175.2-59.1-79.2000109.3W17 G44 Q45 L69 L86 E88 A91 L152W17-F19 HydrophobicContact CE3-CE2 4.29Å; W17-F19 HydrophobicContact CE3-CZ 4.05Å; F19-G44 CarbonylContact C-O 3.38Å; F19-G44 WeakPolarHBondContact CA-O 3.47Å; F19-Q45 HydrophobicContact CD1-CB 4.17Å; F19-Q45 HydrophobicContact CD1-CG 4.32Å; F19-Q45 HydrophobicContact CE1-CB 4.13Å; F19-Q45 HydrophobicContact CE1-CG 3.95Å; F19-L69 HydrophobicContact CD1-CD1 4.05Å; F19-L69 HydrophobicContact CE1-CD1 4.18Å; F19-L86 HydrophobicContact CB-CB 4.35Å; F19-L86 PolarHBondContact O-N 3.04Å; F19-E88 HydrophobicContact CE2-CG 4.27Å; F19-A91 HydrophobicContact CB-CB 3.56Å; F19-A91 HydrophobicContact CD1-CB 4.37Å; F19-A91 HydrophobicContact CD2-CB 3.81Å; F19-A91 HydrophobicContact CG-CB 3.64Å; F19-L152 HydrophobicContact CD1-CD1 4.5Å; F19-L152 HydrophobicContact CD1-CD2 4.16Å; F19-L152 HydrophobicContact CE1-CB 4.24Å; F19-L152 HydrophobicContact CE1-CD1 3.99Å; F19-L152 HydrophobicContact CE1-CD2 4.13Å; F19-L152 HydrophobicContact CE1-CG 4.36Å; F19-L152 HydrophobicContact CE2-CD1 4.11Å; F19-L152 HydrophobicContact CZ-CD1 3.79Å
20Y92.2Very high66.7Low6 Ų684.2 Ų84.22%0.02444%0.435CS..EExtended strand (participates in β ladder)trans-140.5141.2-175.8-66.1-95.4000109.5R18 L43 G44 A46 K64 L66 V83 V84 E85R18-Y20 HydrophobicContact CB-CE2 3.93Å; Y20-L43 WeakPolarHBondContact O-CA 3.31Å; Y20-G44 PolarHBondContact N-O 3.01Å; Y20-G44 PolarHBondContact O-N 2.79Å; Y20-A46 HydrophobicContact CE2-CB 3.95Å; Y20-K64 HydrophobicContact CE1-CG 4.39Å; Y20-L66 HydrophobicContact CD2-CD2 3.46Å; Y20-L66 VanDerWaalsContact CD2-CD2 3.46Å; Y20-L66 HydrophobicContact CE2-CD2 4.1Å; Y20-L66 HydrophobicContact CG-CD1 4.31Å; Y20-L66 HydrophobicContact CG-CD2 3.88Å; Y20-V83 HydrophobicContact CD1-CB 4.49Å; Y20-V83 HydrophobicContact CD1-CG2 4.28Å; Y20-V84 CarbonylContact C-O 3.44Å; Y20-V84 WeakPolarHBondContact CA-O 3.22Å; Y20-E85 HydrophobicContact CD1-CB 3.88Å; Y20-E85 HydrophobicContact CD1-CG 4.19Å; Y20-E85 HydrophobicContact CE1-CB 3.51Å; Y20-E85 HydrophobicContact CE1-CG 3.58Å; Y20-E85 VanDerWaalsContact CE1-OE2 3.22Å; Y20-E85 WeakPolarHBondContact CE1-OE2 3.36Å; Y20-E85 HydrophobicContact CE2-CG 4.43Å; Y20-E85 PolarHBondContact OH-OE2 3.46Å
21M91.9Very high67.4Low0 Ų085.5 Ų85.50%044%0.44CS..EExtended strand (participates in β ladder)trans-100136.4166.1-169.7178.3-69.600110.2V23 S42 L43 V83 V84 L86 L94 R103 C104 L107M21-V23 PolarHBondContact O-N 2.89Å; M21-S42 WeakPolarHBondContact CA-O 3.48Å; M21-L43 HydrophobicContact CB-CD2 4.35Å; M21-L43 HydrophobicContact CE-CD2 4.18Å; M21-V83 CarbonylContact O-C 3.54Å; M21-V83 VanDerWaalsContact O-CA 3.24Å; M21-V83 WeakPolarHBondContact O-CA 3.11Å; M21-V84 PolarHBondContact N-O 3.46Å; M21-V84 PolarHBondContact O-N 3.13Å; M21-L86 HydrophobicContact CB-CD1 4.23Å; M21-L86 HydrophobicContact CB-CD2 4.37Å; M21-L86 HydrophobicContact CB-CG 4.46Å; M21-L94 HydrophobicContact CE-CD1 3.77Å; M21-R103 HydrophobicContact CE-CG 3.78Å; M21-C104 HydrophobicContact SD-CB 3.99Å; M21-L107 HydrophobicContact CB-CD2 3.85Å; M21-L107 HydrophobicContact CE-CB 4.13Å; M21-L107 HydrophobicContact CE-CD2 3.79Å; M21-L107 HydrophobicContact CG-CD2 4.22Å; M21-L107 HydrophobicContact SD-CB 4.12Å; M21-L107 HydrophobicContact SD-CD2 3.43Å; M21-L107 WeakPolarHBondContact SD-CD2 3.11Å; M21-L107 HydrophobicContact SD-CG 4.41Å
22V91.3Very high68.4Low0 Ų088 Ų880%044%0.44CS..EExtended strand (participates in β ladder)trans-78.8102.3171.2178.30000108.6K24 I38 R40 G41 S42 I68 L78 V83V22-K24 VanDerWaalsContact C-N 3.31Å; V22-K24 WeakPolarHBondContact CG1-O 3.45Å; V22-K24 PolarHBondContact O-N 2.9Å; V22-I38 HydrophobicContact CB-CG2 4.37Å; V22-I38 HydrophobicContact CG1-CG2 4.08Å; V22-I38 HydrophobicContact CG2-CG2 4.12Å; V22-R40 CarbonylContact O-C 3.52Å; V22-R40 WeakPolarHBondContact O-CA 3.31Å; V22-G41 PolarHBondContact O-N 3.36Å; V22-S42 PolarHBondContact N-O 3.31Å; V22-I68 HydrophobicContact CG2-CD1 4.35Å; V22-L78 HydrophobicContact CG1-CD1 4.31Å; V22-L78 HydrophobicContact CG2-CD1 3.64Å; V22-V83 HydrophobicContact CG2-CG1 4.27Å
23V88.9Confident69.1Low41 Ų4192.5 Ų92.525%0.24844%0.442CS..  trans-82.4-9-174.7-68.70000113.8M21 R40 D82 V84M21-V23 PolarHBondContact O-N 2.89Å; V23-R40 WeakPolarHBondContact O-CD 3.42Å; V23-R40 WeakPolarHBondContact O-CG 3.13Å; V23-R40 PolarHBondContact O-NE 3.5Å; V23-D82 WeakPolarHBondContact CG2-O 3.28Å; V23-D82 PolarHBondContact N-O 3.49Å; V23-V84 HydrophobicContact CG1-CB 4.04Å; V23-V84 HydrophobicContact CG1-CG2 3.55Å; V23-V84 HydrophobicContact CG2-CG2 4.25Å
24K84.7Confident69.7Low123 Ų12392.1 Ų92.154%0.53544%0.44SS..SBendtrans-137.2136.3177.9-174.6-165.6179.9-175.30110.6V22 C26 D82V22-K24 VanDerWaalsContact C-N 3.31Å; V22-K24 WeakPolarHBondContact CG1-O 3.45Å; V22-K24 PolarHBondContact O-N 2.9Å; K24-C26 PolarHBondContact O-N 3Å; K24-C26 PolarHBondContact O-SG 3.46Å; K24-D82 HydrophobicContact CB-CB 4.32Å; K24-D82 WeakPolarHBondContact CD-OD1 3.48Å; K24-D82 IonicContact NZ-OD1 2.76Å
25E84.4Confident70.9Confident85 Ų8585 Ų8540%0.39742%0.424SS..  trans-55.6130.9177.3-168.5-163.1128.300111.9R37 I38E25-R37 VanDerWaalsContact CD-NH2 3.34Å; E25-R37 HydrophobicContact CG-CG 4.3Å; E25-R37 IonicContact OE1-CZ 3.56Å; E25-R37 IonicContact OE1-NE 2.77Å; E25-R37 PolarHBondContact OE1-NE 2.91Å; E25-R37 IonicContact OE1-NH2 3.41Å; E25-R37 PolarHBondContact OE1-NH2 3.16Å; E25-R37 IonicContact OE2-CZ 3.86Å; E25-R37 IonicContact OE2-NE 2.77Å; E25-R37 PolarHBondContact OE2-NE 2.85Å; E25-R37 IonicContact OE2-NH2 2.82Å; E25-R37 PolarHBondContact OE2-NH2 2.88Å; E25-I38 WeakPolarHBondContact CA-O 3.36Å; E25-I38 WeakPolarHBondContact CG-O 3.32Å
26C80.1Confident71.6Confident17 Ų1782.9 Ų82.912%0.11542%0.415CS..EExtended strand (participates in β ladder)trans-122.7129.2-179.1-67.60000110.9K24 I38 L78K24-C26 PolarHBondContact O-N 3Å; K24-C26 PolarHBondContact O-SG 3.46Å; C26-I38 HydrophobicContact CB-CB 4.34Å; C26-I38 PolarHBondContact N-O 3.49Å; C26-I38 PolarHBondContact O-N 2.92Å; C26-L78 HydrophobicContact CB-CD2 3.98Å
27T75.9Confident72.6Confident96 Ų9687 Ų8759%0.58943%0.425SS*.EExtended strand (participates in β ladder)trans-103.3133.5167.747.90000110.1L36 R37T27-L36 WeakPolarHBondContact CA-O 3.43Å; T27-R37 HydrophobicContact CG2-CB 4.46Å; T27-R37 HydrophobicContact CG2-CG 4.23Å
28V68.3Low73.1Confident41 Ų4180.3 Ų80.325%0.24840%0.4CS..EExtended strand (participates in β ladder)trans-130.6123.9179.4-172.80000111.4L36 L76V28-L36 PolarHBondContact N-O 3.08Å; V28-L36 PolarHBondContact O-N 3.11Å; V28-L76 HydrophobicContact CB-CD2 3.96Å; V28-L76 HydrophobicContact CG1-CD2 3.89Å; V28-L76 HydrophobicContact CG2-CD1 4.22Å; V28-L76 HydrophobicContact CG2-CD2 4.05Å
29E56.5Low73.1Confident165 Ų16577.6 Ų77.677%0.77140%0.396SS*.EExtended strand (participates in β ladder)trans-80.4122.9172.2-61.6-177.216600110.1T35E29-T35 HydrophobicContact CG-CG2 4.27Å
30K56.4Low73Confident80 Ų8081.2 Ų81.235%0.34841%0.41SS..EExtended strand (participates in β ladder)trans-101.2135.8169.8-78.3-178.5175.1174.80109.3T32 Q33K30-T32 PolarHBondContact O-N 2.72Å; K30-Q33 PolarHBondContact O-N 2.75Å
31P43.1Very low72.8Confident137 Ų13781 Ų8189%0.8941%0.409SS*.THydrogen-bonded Turntrans-60.8-1-170.6-27.635.6000118.1
32T48.5Very low72.8Confident130 Ų13081 Ų8180%0.79841%0.409SS*.THydrogen-bonded Turntrans-141.42-172.856.70000115.3K30K30-T32 PolarHBondContact O-N 2.72Å
33Q44Very low72.8Confident167 Ų16781 Ų8178%0.7841%0.409SS*.EExtended strand (participates in β ladder)trans-162.9168.6178.8-117.1166.3-100112.5K30K30-Q33 PolarHBondContact O-N 2.75Å
34K50.8Low72.9Confident195 Ų19579.1 Ų79.185%0.84840%0.397SS*.EExtended strand (participates in β ladder)trans-32.4140.1-174.1-70.6-178.2175.1-179.60115.1L36K34-L36 PolarHBondContact O-N 2.84Å
35T62.4Low73.1Confident94 Ų9473.3 Ų73.358%0.57737%0.372SS*.EExtended strand (participates in β ladder)trans-51.3121.1166.5-410000110E29E29-T35 HydrophobicContact CG-CG2 4.27Å
36L70.6Confident73.3Confident44 Ų4470 Ų7023%0.2336%0.359CS..EExtended strand (participates in β ladder)trans-96.9120.4-174.2-165.289.9000109.6T27 V28 K34 I38 V74 L76T27-L36 WeakPolarHBondContact CA-O 3.43Å; V28-L36 PolarHBondContact N-O 3.08Å; V28-L36 PolarHBondContact O-N 3.11Å; K34-L36 PolarHBondContact O-N 2.84Å; L36-I38 HydrophobicContact CD2-CD1 3.8Å; L36-I38 HydrophobicContact CG-CD1 4.37Å; L36-V74 HydrophobicContact CD2-CB 4.39Å; L36-V74 HydrophobicContact CD2-CG1 3.52Å; L36-V74 HydrophobicContact CD2-CG2 3.89Å; L36-L76 HydrophobicContact CD2-CD1 4.21Å; L36-L76 HydrophobicContact CD2-CD2 4.41Å
37R82.1Confident73.5Confident157 Ų15770.5 Ų70.559%0.59236%0.363SS*.EExtended strand (participates in β ladder)trans-95.5125.2176.9-166.7-179.9-171.1-161.9-3.7109.6E25 T27 Q71E25-R37 VanDerWaalsContact CD-NH2 3.34Å; E25-R37 HydrophobicContact CG-CG 4.3Å; E25-R37 IonicContact OE1-CZ 3.56Å; E25-R37 IonicContact OE1-NE 2.77Å; E25-R37 PolarHBondContact OE1-NE 2.91Å; E25-R37 IonicContact OE1-NH2 3.41Å; E25-R37 PolarHBondContact OE1-NH2 3.16Å; E25-R37 IonicContact OE2-CZ 3.86Å; E25-R37 IonicContact OE2-NE 2.77Å; E25-R37 PolarHBondContact OE2-NE 2.85Å; E25-R37 IonicContact OE2-NH2 2.82Å; E25-R37 PolarHBondContact OE2-NH2 2.88Å; T27-R37 HydrophobicContact CG2-CB 4.46Å; T27-R37 HydrophobicContact CG2-CG 4.23Å; R37-Q71 PolarHBondContact O-NE2 2.88Å
38I85.1Confident73.5Confident0 Ų072.1 Ų72.10%036%0.364CS..EExtended strand (participates in β ladder)trans-108.1111173.9-58-55.7000107.6V22 E25 C26 L36 S42 I68 V74 L76V22-I38 HydrophobicContact CB-CG2 4.37Å; V22-I38 HydrophobicContact CG1-CG2 4.08Å; V22-I38 HydrophobicContact CG2-CG2 4.12Å; E25-I38 WeakPolarHBondContact CA-O 3.36Å; E25-I38 WeakPolarHBondContact CG-O 3.32Å; C26-I38 HydrophobicContact CB-CB 4.34Å; C26-I38 PolarHBondContact N-O 3.49Å; C26-I38 PolarHBondContact O-N 2.92Å; L36-I38 HydrophobicContact CD2-CD1 3.8Å; L36-I38 HydrophobicContact CG-CD1 4.37Å; I38-S42 WeakPolarHBondContact CG2-OG 3.39Å; I38-I68 HydrophobicContact CD1-CG1 4.27Å; I38-I68 HydrophobicContact CG2-CD1 4.46Å; I38-V74 HydrophobicContact CD1-CG1 4.17Å; I38-L76 HydrophobicContact CD1-CD1 3.77Å; I38-L76 HydrophobicContact CG1-CD1 3.45Å; I38-L76 VanDerWaalsContact CG1-CD1 3.45Å
39P86.4Confident73.5Confident49 Ų4973 Ų7332%0.31837%0.365SS..  trans-67.2152.3-179.926.8-33.1000112G41 S42 C100P39-G41 PolarHBondContact O-N 2.83Å; P39-S42 VanDerWaalsContact CD-OG 3.28Å; P39-S42 WeakPolarHBondContact CD-OG 3.18Å; P39-S42 WeakPolarHBondContact CG-OG 3.45Å; P39-S42 WeakPolarHBondContact O-CB 3.43Å; P39-S42 PolarHBondContact O-N 2.86Å; P39-S42 VanDerWaalsContact O-N 3.16Å; P39-S42 PolarHBondContact O-OG 2.9Å; P39-C100 HydrophobicContact CB-CB 4.4Å; P39-C100 HydrophobicContact CG-CB 4.27Å
40R89.1Confident74Confident79 Ų7972.3 Ų72.330%0.29836%0.355SS..THydrogen-bonded Turntrans-52.4134162.7171.9173-179.8-109.6-8.2108.8V22 V23 C100 C104 N105V22-R40 CarbonylContact O-C 3.52Å; V22-R40 WeakPolarHBondContact O-CA 3.31Å; V23-R40 WeakPolarHBondContact O-CD 3.42Å; V23-R40 WeakPolarHBondContact O-CG 3.13Å; V23-R40 PolarHBondContact O-NE 3.5Å; R40-C100 CarbonylContact O-C 3.54Å; R40-C100 VanDerWaalsContact O-CB 3.23Å; R40-C100 WeakPolarHBondContact O-CB 3.28Å; R40-C104 HydrophobicContact CG-CB 3.95Å; R40-C104 WeakPolarHBondContact CG-SG 3.45Å; R40-C104 PolarHBondContact NE-SG 3.3Å; R40-C104 VanDerWaalsContact NE-SG 3.38Å; R40-N105 PolarHBondContact NH1-OD1 3.49Å; R40-N105 PolarHBondContact NH2-OD1 3.06Å
41G89.1Confident74.3Confident0 Ų071.2 Ų71.20%035%0.353CS..THydrogen-bonded Turntrans93.4-5.5-173.700000116.3V22 P39 L43 C100 R103V22-G41 PolarHBondContact O-N 3.36Å; P39-G41 PolarHBondContact O-N 2.83Å; G41-L43 PolarHBondContact O-N 2.75Å; G41-C100 WeakPolarHBondContact CA-O 3.48Å; G41-R103 WeakPolarHBondContact O-CD 3.47Å; G41-R103 PolarHBondContact O-NH1 3.01Å
42S91.9Very high74.8Confident1 Ų170.8 Ų70.81%0.00735%0.353CS..  trans-60.7133.9176.4-56.30000111.3M21 V22 I38 P39 D70M21-S42 WeakPolarHBondContact CA-O 3.48Å; V22-S42 PolarHBondContact N-O 3.31Å; I38-S42 WeakPolarHBondContact CG2-OG 3.39Å; P39-S42 VanDerWaalsContact CD-OG 3.28Å; P39-S42 WeakPolarHBondContact CD-OG 3.18Å; P39-S42 WeakPolarHBondContact CG-OG 3.45Å; P39-S42 WeakPolarHBondContact O-CB 3.43Å; P39-S42 PolarHBondContact O-N 2.86Å; P39-S42 VanDerWaalsContact O-N 3.16Å; P39-S42 PolarHBondContact O-OG 2.9Å; S42-D70 WeakPolarHBondContact CA-OD2 3.38Å
43L91.3Very high75Confident1 Ų171 Ų711%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-91.7139.2175.5-72.7170.2000110.8Y20 M21 G41 I68 L69 D70 L86 F95Y20-L43 WeakPolarHBondContact O-CA 3.31Å; M21-L43 HydrophobicContact CB-CD2 4.35Å; M21-L43 HydrophobicContact CE-CD2 4.18Å; G41-L43 PolarHBondContact O-N 2.75Å; L43-I68 WeakPolarHBondContact O-CA 3.2Å; L43-L69 PolarHBondContact O-N 3.32Å; L43-D70 PolarHBondContact N-OD2 3.17Å; L43-L86 HydrophobicContact CD2-CD1 3.4Å; L43-F95 HydrophobicContact CD1-CB 3.91Å; L43-F95 HydrophobicContact CD1-CD2 4.04Å; L43-F95 HydrophobicContact CD1-CG 4.49Å
44G90.4Very high75.6Confident0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-138.3145.1176.800000113F19 Y20 R67F19-G44 CarbonylContact C-O 3.38Å; F19-G44 WeakPolarHBondContact CA-O 3.47Å; Y20-G44 PolarHBondContact N-O 3.01Å; Y20-G44 PolarHBondContact O-N 2.79Å; G44-R67 CarbonylContact C-O 3.49Å; G44-R67 VanDerWaalsContact CA-O 3.24Å; G44-R67 WeakPolarHBondContact CA-O 3.27Å
45Q89.3Confident76.2Confident2 Ų264.7 Ų64.71%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-97.4138172.4-175.4-175.637.200109.6F19 C47 L66 R67 L69F19-Q45 HydrophobicContact CD1-CB 4.17Å; F19-Q45 HydrophobicContact CD1-CG 4.32Å; F19-Q45 HydrophobicContact CE1-CB 4.13Å; F19-Q45 HydrophobicContact CE1-CG 3.95Å; Q45-C47 PolarHBondContact O-N 3.16Å; Q45-L66 WeakPolarHBondContact O-CA 3.38Å; Q45-R67 PolarHBondContact N-O 3.48Å; Q45-R67 PolarHBondContact O-N 2.77Å; Q45-L69 HydrophobicContact CB-CD1 4.47Å; Q45-L69 HydrophobicContact CB-CD2 4.04Å; Q45-L69 HydrophobicContact CB-CG 4.43Å
46A87.5Confident76.2Confident14 Ų1464 Ų6412%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-58128172.100000111.2D16 R18 Y20D16-A46 HydrophobicContact CB-CB 4.04Å; R18-A46 HydrophobicContact CB-CB 4.25Å; R18-A46 PolarHBondContact O-N 2.75Å; Y20-A46 HydrophobicContact CE2-CB 3.95Å
47C85.1Confident76Confident29 Ų2965.1 Ų65.120%0.19633%0.33CS..  trans-135.3146176.474.60000111.1Q45 E49 S65 R67 V75Q45-C47 PolarHBondContact O-N 3.16Å; C47-E49 PolarHBondContact O-N 3.39Å; C47-S65 PolarHBondContact N-O 3.16Å; C47-S65 WeakPolarHBondContact O-CB 3.35Å; C47-S65 VanDerWaalsContact O-O 3.11Å; C47-S65 PolarHBondContact O-OG 2.83Å; C47-R67 HydrophobicContact CB-CB 4.14Å; C47-V75 VanDerWaalsContact SG-CG1 3.56Å
48Q76.4Confident75Confident129 Ų12962.5 Ų62.560%0.60333%0.334SS*.  trans-79.2116.5-178.7-168.5173.647.900110.1R50 T56Q48-R50 PolarHBondContact O-N 2.75Å; Q48-T56 VanDerWaalsContact CD-CG2 3.46Å; Q48-T56 HydrophobicContact CG-CG2 4Å
49E67.1Low73.8Confident59 Ų5968.4 Ų68.428%0.27637%0.372SS..  trans-57.4130.7-178.9-156.4-176.3-128.200111C47 T56 L57 S77C47-E49 PolarHBondContact O-N 3.39Å; E49-T56 WeakPolarHBondContact O-CA 3.43Å; E49-L57 HydrophobicContact CB-CB 4.39Å; E49-L57 HydrophobicContact CG-CD1 4.06Å; E49-L57 PolarHBondContact O-N 3.4Å; E49-S77 PolarHBondContact OE1-OG 3.25Å
50R68Low72.8Confident151 Ų15169.5 Ų69.557%0.5738%0.38SS*.BIsolated β-bridgetrans-131.9141.6-178.7-70.4176.6-170.3-179.93.9110.7Q48 R55 T56Q48-R50 PolarHBondContact O-N 2.75Å; R50-R55 CarbonylContact C-O 3.53Å; R50-R55 VanDerWaalsContact CA-O 3.25Å; R50-R55 WeakPolarHBondContact CA-O 3.33Å; R50-T56 HydrophobicContact CG-CG2 4.28Å
51N62.1Low71.9Confident58 Ų5876 Ų7631%0.3141%0.41SS..  trans-77173.6173.873.512.4000112.3L53 G54 R55 L57N51-L53 PolarHBondContact O-N 2.96Å; N51-L53 WeakPolarHBondContact OD1-CA 3.49Å; N51-L53 PolarHBondContact OD1-N 2.79Å; N51-G54 PolarHBondContact O-N 2.99Å; N51-G54 PolarHBondContact OD1-N 2.99Å; N51-R55 PolarHBondContact N-O 2.74Å; N51-R55 PolarHBondContact OD1-N 2.98Å; N51-L57 HydrophobicContact CB-CD1 4.43Å; N51-L57 HydrophobicContact CB-CD2 4.36Å; N51-L57 HydrophobicContact CB-CG 4.43Å
52S53.6Low71.3Confident127 Ų12777.4 Ų77.489%0.88843%0.425SS*.THydrogen-bonded Turntrans-61.7-5.7178.752.30000115.5
53L51.9Low70.9Confident136 Ų13681.1 Ų81.171%0.71244%0.441SS*.THydrogen-bonded Turntrans-108.216.5173.4-59.3175000112N51 R55N51-L53 PolarHBondContact O-N 2.96Å; N51-L53 WeakPolarHBondContact OD1-CA 3.49Å; N51-L53 PolarHBondContact OD1-N 2.79Å; L53-R55 PolarHBondContact O-N 2.96Å
54G58Low70.6Confident50 Ų5083.7 Ų83.752%0.51545%0.452SS..SBendtrans724.3177.400000115.3N51N51-G54 PolarHBondContact O-N 2.99Å; N51-G54 PolarHBondContact OD1-N 2.99Å
55R62.4Low70.5Confident178 Ų17884.6 Ų84.667%0.67246%0.459SS*.PPolyproline II helixtrans-82.2135.8-178.9-59.2-173.4179.9-168.6-0.9110.6R50 N51 L53R50-R55 CarbonylContact C-O 3.53Å; R50-R55 VanDerWaalsContact CA-O 3.25Å; R50-R55 WeakPolarHBondContact CA-O 3.33Å; N51-R55 PolarHBondContact N-O 2.74Å; N51-R55 PolarHBondContact OD1-N 2.98Å; L53-R55 PolarHBondContact O-N 2.96Å
56T63.6Low70.4Confident79 Ų7984.5 Ų84.549%0.48546%0.458SS..BIsolated β-bridgetrans-62.1133.3174.4490000111Q48 E49 R50Q48-T56 VanDerWaalsContact CD-CG2 3.46Å; Q48-T56 HydrophobicContact CG-CG2 4Å; E49-T56 WeakPolarHBondContact O-CA 3.43Å; R50-T56 HydrophobicContact CG-CG2 4.28Å
57L66Low70.5Confident69 Ų6987.7 Ų87.736%0.36147%0.467SS..PPolyproline II helixtrans-90.3149.7172.7-69.2171000110E49 N51E49-L57 HydrophobicContact CB-CB 4.39Å; E49-L57 HydrophobicContact CG-CD1 4.06Å; E49-L57 PolarHBondContact O-N 3.4Å; N51-L57 HydrophobicContact CB-CD1 4.43Å; N51-L57 HydrophobicContact CB-CD2 4.36Å; N51-L57 HydrophobicContact CB-CG 4.43Å
58P60.5Low70.7Confident102 Ų10286.6 Ų86.666%0.66246%0.459SS*.PPolyproline II helixtrans-68.9140.2172.130-33.8000109.8C60P58-C60 PolarHBondContact O-N 3.13Å
59P60.5Low71.1Confident124 Ų12482.2 Ų82.281%0.80544%0.44SS*.PPolyproline II helixtrans-64.3124.4-175.925.4-34.1000111.8K61P59-K61 PolarHBondContact O-N 3.41Å
60C64.4Low71.8Confident72 Ų7282.3 Ų82.349%0.48644%0.442SS..PPolyproline II helixtrans-65.7120.6171.4-71.20000110.1P58 G62 K63P58-C60 PolarHBondContact O-N 3.13Å; C60-G62 PolarHBondContact O-N 3.26Å; C60-K63 HydrophobicContact CB-CB 4.3Å; C60-K63 PolarHBondContact O-N 2.86Å
61K70.5Confident72.3Confident214 Ų21477.5 Ų77.593%0.9343%0.426SS*.THydrogen-bonded Turntrans-58.1130.2176.5-70.9-174.9171.4-174.50110.3P59P59-K61 PolarHBondContact O-N 3.41Å
62G77.1Confident72.7Confident31 Ų3180.9 Ų80.932%0.3245%0.449SS..THydrogen-bonded Turntrans89.8-0.9-179.300000115.1C60 D79 E80C60-G62 PolarHBondContact O-N 3.26Å; G62-D79 CarbonylContact O-C 3.6Å; G62-D79 WeakPolarHBondContact O-CA 3.34Å; G62-E80 WeakPolarHBondContact CA-OE2 3.42Å; G62-E80 PolarHBondContact N-OE2 2.68Å; G62-E80 PolarHBondContact O-N 3.39Å
63K83.8Confident73.5Confident78 Ų7882.3 Ų82.334%0.33945%0.447SS..EExtended strand (participates in β ladder)trans-129.4141.4-177.3-71.3-178.9175.7-67.20113.9C60 L78 D79C60-K63 HydrophobicContact CB-CB 4.3Å; C60-K63 PolarHBondContact O-N 2.86Å; K63-L78 CarbonylContact C-O 3.58Å; K63-L78 WeakPolarHBondContact CA-O 3.42Å; K63-L78 WeakPolarHBondContact CB-O 3.48Å; K63-D79 VanDerWaalsContact CE-OD1 3.23Å; K63-D79 WeakPolarHBondContact CE-OD1 3.44Å; K63-D79 WeakPolarHBondContact CG-OD1 3.37Å; K63-D79 IonicContact NZ-OD1 3.59Å; K63-D79 PolarHBondContact NZ-OD1 2.97Å; K63-D79 IonicContact NZ-OD2 2.81Å; K63-D79 PolarHBondContact NZ-OD2 3.4Å
64K85.2Confident74.9Confident56 Ų5676.3 Ų76.324%0.24342%0.416CS..EExtended strand (participates in β ladder)trans-103.2130.1169.5-57.5-52.9-161.9-159.30110.4Y20 L66 S77 L78 E80 V83Y20-K64 HydrophobicContact CE1-CG 4.39Å; K64-L66 HydrophobicContact CB-CD2 4.09Å; K64-L66 HydrophobicContact CB-CG 4.17Å; K64-S77 CarbonylContact O-C 3.58Å; K64-S77 VanDerWaalsContact O-CA 3.31Å; K64-S77 WeakPolarHBondContact O-CA 3.34Å; K64-L78 PolarHBondContact N-O 3.42Å; K64-L78 PolarHBondContact O-N 3.25Å; K64-E80 HydrophobicContact CD-CG 3.84Å; K64-E80 WeakPolarHBondContact CE-OE1 3.37Å; K64-E80 HydrophobicContact CG-CG 3.91Å; K64-E80 IonicContact NZ-OE1 2.74Å; K64-E80 PolarHBondContact NZ-OE1 2.93Å; K64-V83 HydrophobicContact CB-CG2 4.48Å; K64-V83 HydrophobicContact CG-CG2 3.96Å
65S87.3Confident76Confident19 Ų1977 Ų7713%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-88.4112.2168.6-175.40000109.3C47 L76C47-S65 PolarHBondContact N-O 3.16Å; C47-S65 WeakPolarHBondContact O-CB 3.35Å; C47-S65 VanDerWaalsContact O-O 3.11Å; C47-S65 PolarHBondContact O-OG 2.83Å; S65-L76 CarbonylContact C-O 3.54Å; S65-L76 WeakPolarHBondContact CA-O 3.48Å
66L88.4Confident77.1Confident0 Ų069 Ų690%038%0.38CS..EExtended strand (participates in β ladder)trans-116.3135.3-175.4-59.1-175.9000111.1Y20 Q45 K64 I68 V75 L76 L78 V83Y20-L66 HydrophobicContact CD2-CD2 3.46Å; Y20-L66 VanDerWaalsContact CD2-CD2 3.46Å; Y20-L66 HydrophobicContact CE2-CD2 4.1Å; Y20-L66 HydrophobicContact CG-CD1 4.31Å; Y20-L66 HydrophobicContact CG-CD2 3.88Å; Q45-L66 WeakPolarHBondContact O-CA 3.38Å; K64-L66 HydrophobicContact CB-CD2 4.09Å; K64-L66 HydrophobicContact CB-CG 4.17Å; L66-I68 HydrophobicContact CB-CD1 4.48Å; L66-V75 VanDerWaalsContact O-CA 3.31Å; L66-V75 WeakPolarHBondContact O-CA 3.41Å; L66-L76 PolarHBondContact N-O 3.21Å; L66-L76 PolarHBondContact O-N 3.13Å; L66-L78 HydrophobicContact CD1-CD1 4.43Å; L66-V83 HydrophobicContact CD1-CG1 3.88Å
67R88.4Confident78.1Confident81 Ų8167.1 Ų67.131%0.30637%0.37SS..EExtended strand (participates in β ladder)trans-85.5108.4161.4174.7-163.8-72.2159.5-7.4106.9E15 G44 Q45 C47 L69 V74 V75E15-R67 IonicContact OE1-CZ 3.99Å; E15-R67 VanDerWaalsContact OE1-CZ 3.28Å; E15-R67 IonicContact OE1-NH1 3.95Å; E15-R67 PolarHBondContact OE1-NH1 3.06Å; E15-R67 IonicContact OE1-NH2 2.66Å; E15-R67 PolarHBondContact OE1-NH2 2.88Å; E15-R67 IonicContact OE2-NH1 2.72Å; E15-R67 PolarHBondContact OE2-NH1 3.05Å; G44-R67 CarbonylContact C-O 3.49Å; G44-R67 VanDerWaalsContact CA-O 3.24Å; G44-R67 WeakPolarHBondContact CA-O 3.27Å; Q45-R67 PolarHBondContact N-O 3.48Å; Q45-R67 PolarHBondContact O-N 2.77Å; C47-R67 HydrophobicContact CB-CB 4.14Å; R67-L69 PolarHBondContact O-N 3.38Å; R67-V74 CarbonylContact C-O 3.56Å; R67-V74 WeakPolarHBondContact CA-O 3.05Å; R67-V75 HydrophobicContact CB-CG2 4.22Å
68I89.8Confident79.1Confident5 Ų564.3 Ų64.33%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-66.5133.8176.4-54.2-59.5000108.5V22 I38 L43 L66 D70 Q71 V74 L76V22-I68 HydrophobicContact CG2-CD1 4.35Å; I38-I68 HydrophobicContact CD1-CG1 4.27Å; I38-I68 HydrophobicContact CG2-CD1 4.46Å; L43-I68 WeakPolarHBondContact O-CA 3.2Å; L66-I68 HydrophobicContact CB-CD1 4.48Å; I68-D70 HydrophobicContact CG2-CB 4.31Å; I68-Q71 HydrophobicContact CG2-CB 4.18Å; I68-Q71 HydrophobicContact CG2-CG 4.38Å; I68-V74 HydrophobicContact CB-CB 4.15Å; I68-V74 HydrophobicContact CB-CG1 4.01Å; I68-V74 HydrophobicContact CG1-CB 4.37Å; I68-V74 HydrophobicContact CG1-CG1 3.68Å; I68-V74 PolarHBondContact N-O 3.34Å; I68-L76 HydrophobicContact CG1-CD1 4.3Å
69L84.8Confident80.3Confident38 Ų3862.7 Ų62.720%0.19934%0.341CS..SBendtrans-90.6-29.5-176.5-61.2-178.9000111.9F19 L43 Q45 R67 Q71 F95 L152F19-L69 HydrophobicContact CD1-CD1 4.05Å; F19-L69 HydrophobicContact CE1-CD1 4.18Å; L43-L69 PolarHBondContact O-N 3.32Å; Q45-L69 HydrophobicContact CB-CD1 4.47Å; Q45-L69 HydrophobicContact CB-CD2 4.04Å; Q45-L69 HydrophobicContact CB-CG 4.43Å; R67-L69 PolarHBondContact O-N 3.38Å; L69-Q71 VanDerWaalsContact C-N 3.28Å; L69-Q71 PolarHBondContact O-N 2.89Å; L69-F95 HydrophobicContact CB-CE2 3.96Å; L69-L152 HydrophobicContact CD1-CB 4.3Å; L69-L152 HydrophobicContact CD1-CD2 3.7Å
70D81Confident81.5Confident60 Ų6061.1 Ų61.132%0.32132%0.323SS..SBendtrans-72.8-15.8175.2-58-67.1000113.6S42 L43 I68 R103S42-D70 WeakPolarHBondContact CA-OD2 3.38Å; L43-D70 PolarHBondContact N-OD2 3.17Å; I68-D70 HydrophobicContact CG2-CB 4.31Å; D70-R103 VanDerWaalsContact CG-NH1 3.33Å; D70-R103 IonicContact OD1-CZ 3.94Å; D70-R103 IonicContact OD1-NH1 2.77Å; D70-R103 PolarHBondContact OD1-NH1 2.87Å; D70-R103 VanDerWaalsContact OD1-NH1 3.09Å; D70-R103 IonicContact OD1-NH2 3.64Å; D70-R103 PolarHBondContact OD1-NH2 3.05Å; D70-R103 IonicContact OD2-CZ 2.72Å; D70-R103 IonicContact OD2-NH1 2.91Å; D70-R103 PolarHBondContact OD2-NH1 2.82Å; D70-R103 IonicContact OD2-NH2 3.43Å
71Q78.1Confident82.5Confident51 Ų5168.8 Ų68.824%0.23834%0.342CS..SBendtrans-133.8118.4-176.1-62.5-174.38.100111.4R37 I68 L69 V74R37-Q71 PolarHBondContact O-NE2 2.88Å; I68-Q71 HydrophobicContact CG2-CB 4.18Å; I68-Q71 HydrophobicContact CG2-CG 4.38Å; L69-Q71 VanDerWaalsContact C-N 3.28Å; L69-Q71 PolarHBondContact O-N 2.89Å; Q71-V74 HydrophobicContact CB-CB 4.03Å; Q71-V74 HydrophobicContact CB-CG2 3.63Å; Q71-V74 PolarHBondContact O-N 3.48Å
72T72.1Confident83.4Confident129 Ų12960.2 Ų60.279%0.79131%0.306SS*.THydrogen-bonded Turntrans-64.7138.2-174.463.70000112.5V74T72-V74 PolarHBondContact O-N 3.07Å; T72-V74 VanDerWaalsContact O-N 3.12Å
73N70.1Confident84Confident157 Ų15759.3 Ų59.384%0.8430%0.295SS*.THydrogen-bonded Turntrans60.215.6179-53.1-71.2000115.7V75N73-V75 PolarHBondContact O-N 3.18Å
74V80.8Confident84.4Confident10 Ų1058.6 Ų58.66%0.06130%0.297CS..  trans-88.8108.7176175.80000110.5L36 I38 R67 I68 Q71 T72 L76L36-V74 HydrophobicContact CD2-CB 4.39Å; L36-V74 HydrophobicContact CD2-CG1 3.52Å; L36-V74 HydrophobicContact CD2-CG2 3.89Å; I38-V74 HydrophobicContact CD1-CG1 4.17Å; R67-V74 CarbonylContact C-O 3.56Å; R67-V74 WeakPolarHBondContact CA-O 3.05Å; I68-V74 HydrophobicContact CB-CB 4.15Å; I68-V74 HydrophobicContact CB-CG1 4.01Å; I68-V74 HydrophobicContact CG1-CB 4.37Å; I68-V74 HydrophobicContact CG1-CG1 3.68Å; I68-V74 PolarHBondContact N-O 3.34Å; Q71-V74 HydrophobicContact CB-CB 4.03Å; Q71-V74 HydrophobicContact CB-CG2 3.63Å; Q71-V74 PolarHBondContact O-N 3.48Å; T72-V74 PolarHBondContact O-N 3.07Å; T72-V74 VanDerWaalsContact O-N 3.12Å; V74-L76 HydrophobicContact CG1-CD1 3.72Å; V74-L76 HydrophobicContact CG1-CD2 4.38Å; V74-L76 HydrophobicContact CG1-CG 3.76Å
75V81.9Confident84.7Confident64 Ų6460.8 Ų60.839%0.38831%0.308SS..EExtended strand (participates in β ladder)trans-113.3133.9165.5175.60000109.3C47 L66 R67 N73C47-V75 VanDerWaalsContact SG-CG1 3.56Å; L66-V75 VanDerWaalsContact O-CA 3.31Å; L66-V75 WeakPolarHBondContact O-CA 3.41Å; R67-V75 HydrophobicContact CB-CG2 4.22Å; N73-V75 PolarHBondContact O-N 3.18Å
76L85.1Confident84.9Confident9 Ų960.4 Ų60.45%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-145.6152.9-174.8-59.1173.3000111.1V28 L36 I38 S65 L66 I68 V74 L78V28-L76 HydrophobicContact CB-CD2 3.96Å; V28-L76 HydrophobicContact CG1-CD2 3.89Å; V28-L76 HydrophobicContact CG2-CD1 4.22Å; V28-L76 HydrophobicContact CG2-CD2 4.05Å; L36-L76 HydrophobicContact CD2-CD1 4.21Å; L36-L76 HydrophobicContact CD2-CD2 4.41Å; I38-L76 HydrophobicContact CD1-CD1 3.77Å; I38-L76 HydrophobicContact CG1-CD1 3.45Å; I38-L76 VanDerWaalsContact CG1-CD1 3.45Å; S65-L76 CarbonylContact C-O 3.54Å; S65-L76 WeakPolarHBondContact CA-O 3.48Å; L66-L76 PolarHBondContact N-O 3.21Å; L66-L76 PolarHBondContact O-N 3.13Å; I68-L76 HydrophobicContact CG1-CD1 4.3Å; V74-L76 HydrophobicContact CG1-CD1 3.72Å; V74-L76 HydrophobicContact CG1-CD2 4.38Å; V74-L76 HydrophobicContact CG1-CG 3.76Å; L76-L78 HydrophobicContact CB-CD2 4.44Å
77S85.1Confident84.9Confident40 Ų4063.6 Ų63.628%0.2832%0.322SS..EExtended strand (participates in β ladder)trans-114.288.3179-69.20000111.3E49 K64E49-S77 PolarHBondContact OE1-OG 3.25Å; K64-S77 CarbonylContact O-C 3.58Å; K64-S77 VanDerWaalsContact O-CA 3.31Å; K64-S77 WeakPolarHBondContact O-CA 3.34Å
78L86.1Confident84.8Confident10 Ų1064.3 Ų64.35%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-85.1157-176.9-57-177.7000111.3V22 C26 K63 K64 L66 L76 V83V22-L78 HydrophobicContact CG1-CD1 4.31Å; V22-L78 HydrophobicContact CG2-CD1 3.64Å; C26-L78 HydrophobicContact CB-CD2 3.98Å; K63-L78 CarbonylContact C-O 3.58Å; K63-L78 WeakPolarHBondContact CA-O 3.42Å; K63-L78 WeakPolarHBondContact CB-O 3.48Å; K64-L78 PolarHBondContact N-O 3.42Å; K64-L78 PolarHBondContact O-N 3.25Å; L66-L78 HydrophobicContact CD1-CD1 4.43Å; L76-L78 HydrophobicContact CB-CD2 4.44Å; L78-V83 HydrophobicContact CB-CG1 4.05Å; L78-V83 HydrophobicContact CD1-CG1 3.75Å
79D85.3Confident84.6Confident68 Ų6871.4 Ų71.436%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-75.7145.4175.4-68.7-68.9000111.8G62 K63 R81 D82G62-D79 CarbonylContact O-C 3.6Å; G62-D79 WeakPolarHBondContact O-CA 3.34Å; K63-D79 VanDerWaalsContact CE-OD1 3.23Å; K63-D79 WeakPolarHBondContact CE-OD1 3.44Å; K63-D79 WeakPolarHBondContact CG-OD1 3.37Å; K63-D79 IonicContact NZ-OD1 3.59Å; K63-D79 PolarHBondContact NZ-OD1 2.97Å; K63-D79 IonicContact NZ-OD2 2.81Å; K63-D79 PolarHBondContact NZ-OD2 3.4Å; D79-R81 PolarHBondContact O-N 3.04Å; D79-D82 PolarHBondContact O-N 3.49Å
80E86.3Confident84.8Confident91 Ų9170.1 Ų70.143%0.42535%0.352SS..THydrogen-bonded Turntrans-63.34.5-176.7-75.5178.8140.500114.8G62 K64G62-E80 WeakPolarHBondContact CA-OE2 3.42Å; G62-E80 PolarHBondContact N-OE2 2.68Å; G62-E80 PolarHBondContact O-N 3.39Å; K64-E80 HydrophobicContact CD-CG 3.84Å; K64-E80 WeakPolarHBondContact CE-OE1 3.37Å; K64-E80 HydrophobicContact CG-CG 3.91Å; K64-E80 IonicContact NZ-OE1 2.74Å; K64-E80 PolarHBondContact NZ-OE1 2.93Å
81R85.9Confident85.2Confident233 Ų23367.3 Ų67.388%0.87934%0.337SS*.THydrogen-bonded Turntrans-107.6-22176.7-61.7-179-179.6-174.9-1.6113.6D79 V83D79-R81 PolarHBondContact O-N 3.04Å; R81-V83 VanDerWaalsContact C-N 3.32Å
82D88.4Confident85.8Confident34 Ų3467.2 Ų67.218%0.18234%0.337CS..SBendtrans-95.86.1-178.4-55.8-62.7000111.3V23 K24 D79V23-D82 WeakPolarHBondContact CG2-O 3.28Å; V23-D82 PolarHBondContact N-O 3.49Å; K24-D82 HydrophobicContact CB-CB 4.32Å; K24-D82 WeakPolarHBondContact CD-OD1 3.48Å; K24-D82 IonicContact NZ-OD1 2.76Å; D79-D82 PolarHBondContact O-N 3.49Å
83V90.3Very high86.6Confident12 Ų1261.7 Ų61.77%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-135141.8179-60.20000111.9Y20 M21 V22 K64 L66 L78 R81Y20-V83 HydrophobicContact CD1-CB 4.49Å; Y20-V83 HydrophobicContact CD1-CG2 4.28Å; M21-V83 CarbonylContact O-C 3.54Å; M21-V83 VanDerWaalsContact O-CA 3.24Å; M21-V83 WeakPolarHBondContact O-CA 3.11Å; V22-V83 HydrophobicContact CG2-CG1 4.27Å; K64-V83 HydrophobicContact CB-CG2 4.48Å; K64-V83 HydrophobicContact CG-CG2 3.96Å; L66-V83 HydrophobicContact CD1-CG1 3.88Å; L78-V83 HydrophobicContact CB-CG1 4.05Å; L78-V83 HydrophobicContact CD1-CG1 3.75Å; R81-V83 VanDerWaalsContact C-N 3.32Å
84V91.7Very high87.6Confident64 Ų6454.2 Ų54.239%0.38826%0.262SS..EExtended strand (participates in β ladder)trans-113135.9174.11690000109.2Y20 M21 V23Y20-V84 CarbonylContact C-O 3.44Å; Y20-V84 WeakPolarHBondContact CA-O 3.22Å; M21-V84 PolarHBondContact N-O 3.46Å; M21-V84 PolarHBondContact O-N 3.13Å; V23-V84 HydrophobicContact CG1-CB 4.04Å; V23-V84 HydrophobicContact CG1-CG2 3.55Å; V23-V84 HydrophobicContact CG2-CG2 4.25Å
85E92.1Very high88Confident101 Ų10155.3 Ų55.347%0.47227%0.266SS..EExtended strand (participates in β ladder)trans-78.4131.6176.7-164.2157.6153.500110R18 Y20R18-E85 VanDerWaalsContact CD-OE1 3.3Å; R18-E85 WeakPolarHBondContact CD-OE1 3.49Å; Y20-E85 HydrophobicContact CD1-CB 3.88Å; Y20-E85 HydrophobicContact CD1-CG 4.19Å; Y20-E85 HydrophobicContact CE1-CB 3.51Å; Y20-E85 HydrophobicContact CE1-CG 3.58Å; Y20-E85 VanDerWaalsContact CE1-OE2 3.22Å; Y20-E85 WeakPolarHBondContact CE1-OE2 3.36Å; Y20-E85 HydrophobicContact CE2-CG 4.43Å; Y20-E85 PolarHBondContact OH-OE2 3.46Å
86L91Very high88.3Confident12 Ų1252.6 Ų52.66%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-107.5146.1179.9-55.9-178.4000110.8F19 M21 L43 L90 A91 L94 L107F19-L86 HydrophobicContact CB-CB 4.35Å; F19-L86 PolarHBondContact O-N 3.04Å; M21-L86 HydrophobicContact CB-CD1 4.23Å; M21-L86 HydrophobicContact CB-CD2 4.37Å; M21-L86 HydrophobicContact CB-CG 4.46Å; L43-L86 HydrophobicContact CD2-CD1 3.4Å; L86-L90 HydrophobicContact CB-CD2 4.46Å; L86-L90 HydrophobicContact CD2-CD2 3.85Å; L86-L90 HydrophobicContact CD2-CG 4.38Å; L86-A91 HydrophobicContact CB-CB 4.45Å; L86-A91 HydrophobicContact CD1-CB 4.36Å; L86-L94 HydrophobicContact CD1-CD1 4.35Å; L86-L107 HydrophobicContact CD2-CD1 3.8Å; L86-L107 HydrophobicContact CD2-CD2 3.79Å; L86-L107 HydrophobicContact CD2-CG 4.49Å
87D88.3Confident88.5Confident67 Ų6752.2 Ų52.236%0.35825%0.248SC..  trans-69155.8163.48369.6000111.3K89 L90 A91 R117D87-K89 VanDerWaalsContact C-N 3.34Å; D87-K89 PolarHBondContact O-N 3.47Å; D87-K89 WeakPolarHBondContact OD1-CA 3.47Å; D87-K89 WeakPolarHBondContact OD1-CB 3.22Å; D87-K89 PolarHBondContact OD1-N 2.64Å; D87-L90 PolarHBondContact O-N 2.89Å; D87-L90 PolarHBondContact OD1-N 3.37Å; D87-L90 WeakPolarHBondContact OD2-CB 3.25Å; D87-A91 PolarHBondContact O-N 2.81Å; D87-R117 IonicContact OD2-CZ 3.51Å; D87-R117 IonicContact OD2-NH1 3.48Å; D87-R117 IonicContact OD2-NH2 3.5Å; D87-R117 PolarHBondContact OD2-NH2 3.1Å
88E86.9Confident88.4Confident95 Ų9556.3 Ų56.344%0.44427%0.272SS..Hα-helixtrans-60.9-39.9-174.2-176.7169.5-139.800112.7W17 F19 A91 E92W17-E88 VanDerWaalsContact CE3-OE1 3.31Å; F19-E88 HydrophobicContact CE2-CG 4.27Å; E88-A91 PolarHBondContact O-N 3.47Å; E88-E92 WeakPolarHBondContact O-CG 3.41Å; E88-E92 PolarHBondContact O-N 3.16Å
89K86Confident88.3Confident154 Ų15459 Ų5967%0.6729%0.286SS*.Hα-helixtrans-70.5-39.7179.2-59.4179.7177.4-1770111.2D87 A91 E92 L93D87-K89 VanDerWaalsContact C-N 3.34Å; D87-K89 PolarHBondContact O-N 3.47Å; D87-K89 WeakPolarHBondContact OD1-CA 3.47Å; D87-K89 WeakPolarHBondContact OD1-CB 3.22Å; D87-K89 PolarHBondContact OD1-N 2.64Å; K89-A91 VanDerWaalsContact C-N 3.33Å; K89-E92 PolarHBondContact O-N 3.42Å; K89-L93 WeakPolarHBondContact O-CB 3.43Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.39Å; K89-L93 PolarHBondContact O-N 2.82Å
90L88.1Confident88.4Confident12 Ų1256.7 Ų56.76%0.06328%0.275CS..Hα-helixtrans-63.1-41175.1-178.158.7000111.2L86 D87 L93 L94 L107 L113L86-L90 HydrophobicContact CB-CD2 4.46Å; L86-L90 HydrophobicContact CD2-CD2 3.85Å; L86-L90 HydrophobicContact CD2-CG 4.38Å; D87-L90 PolarHBondContact O-N 2.89Å; D87-L90 PolarHBondContact OD1-N 3.37Å; D87-L90 WeakPolarHBondContact OD2-CB 3.25Å; L90-L93 PolarHBondContact O-N 2.91Å; L90-L94 HydrophobicContact CD1-CD1 3.64Å; L90-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CG-CD1 3.8Å; L90-L94 HydrophobicContact CG-CG 4.41Å; L90-L94 WeakPolarHBondContact O-CB 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.26Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.02Å; L90-L107 HydrophobicContact CD2-CD1 3.88Å; L90-L113 HydrophobicContact CD1-CD1 3.74Å; L90-L113 HydrophobicContact CD1-CD2 3.89Å; L90-L113 HydrophobicContact CD1-CG 4.28Å; L90-L113 HydrophobicContact CD2-CD2 4.48Å
91A89.8Confident88.3Confident0 Ų057.8 Ų57.80%028%0.28CS..Hα-helixtrans-63.2-43.317300000111.9F19 L86 D87 E88 K89 L93 L94 F95 L152F19-A91 HydrophobicContact CB-CB 3.56Å; F19-A91 HydrophobicContact CD1-CB 4.37Å; F19-A91 HydrophobicContact CD2-CB 3.81Å; F19-A91 HydrophobicContact CG-CB 3.64Å; L86-A91 HydrophobicContact CB-CB 4.45Å; L86-A91 HydrophobicContact CD1-CB 4.36Å; D87-A91 PolarHBondContact O-N 2.81Å; E88-A91 PolarHBondContact O-N 3.47Å; K89-A91 VanDerWaalsContact C-N 3.33Å; A91-L93 VanDerWaalsContact C-N 3.34Å; A91-L93 PolarHBondContact O-N 3.3Å; A91-L94 PolarHBondContact O-N 3.26Å; A91-F95 WeakPolarHBondContact O-CB 3.29Å; A91-F95 PolarHBondContact O-N 3.26Å; A91-L152 HydrophobicContact CB-CD1 4.21Å; A91-L152 HydrophobicContact CB-CD2 4.11Å
92E90.1Very high88.3Confident50 Ų5050.1 Ų50.123%0.23425%0.254CS..Hα-helixtrans-62.9-36.2174.1-73.6-171.4142.400113E88 K89 P96 L152 S153 G154 I155E88-E92 WeakPolarHBondContact O-CG 3.41Å; E88-E92 PolarHBondContact O-N 3.16Å; K89-E92 PolarHBondContact O-N 3.42Å; E92-P96 VanDerWaalsContact O-CD 3.24Å; E92-P96 WeakPolarHBondContact O-CD 3.35Å; E92-L152 HydrophobicContact CB-CD1 4.46Å; E92-L152 HydrophobicContact CG-CD1 3.54Å; E92-L152 HydrophobicContact CG-CG 4.46Å; E92-S153 WeakPolarHBondContact OE1-CB 3.3Å; E92-G154 CarbonylContact O-C 3.56Å; E92-G154 VanDerWaalsContact O-CA 3.25Å; E92-G154 WeakPolarHBondContact O-CA 3.32Å; E92-I155 HydrophobicContact CB-CD1 3.7Å; E92-I155 HydrophobicContact CB-CG1 3.99Å; E92-I155 PolarHBondContact O-N 3.48Å
93L89.9Confident88.4Confident12 Ų1248.6 Ų48.66%0.06325%0.246CC..Hα-helixtrans-72.8-37.3177.4-79.1171.4000113.5K89 L90 A91 R117 I155 F157 L193K89-L93 WeakPolarHBondContact O-CB 3.43Å; K89-L93 VanDerWaalsContact O-CG 3.31Å; K89-L93 WeakPolarHBondContact O-CG 3.39Å; K89-L93 PolarHBondContact O-N 2.82Å; L90-L93 PolarHBondContact O-N 2.91Å; A91-L93 VanDerWaalsContact C-N 3.34Å; A91-L93 PolarHBondContact O-N 3.3Å; L93-R117 HydrophobicContact CD1-CG 4.36Å; L93-I155 HydrophobicContact CD2-CB 4.13Å; L93-I155 HydrophobicContact CD2-CD1 4.27Å; L93-I155 HydrophobicContact CD2-CG2 3.93Å; L93-I155 HydrophobicContact CG-CD1 4.3Å; L93-F157 HydrophobicContact CD2-CE2 3.91Å; L93-F157 HydrophobicContact CD2-CZ 3.77Å; L93-L193 HydrophobicContact CB-CD2 4.04Å; L93-L193 HydrophobicContact CD2-CD1 4.23Å; L93-L193 HydrophobicContact CD2-CD2 4.31Å
94L90.3Very high88.3Confident0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-86.6-22.1-177.1-66174.7000113.7M21 L86 L90 A91 I97 R103 L106 L107M21-L94 HydrophobicContact CE-CD1 3.77Å; L86-L94 HydrophobicContact CD1-CD1 4.35Å; L90-L94 HydrophobicContact CD1-CD1 3.64Å; L90-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CG-CD1 3.8Å; L90-L94 HydrophobicContact CG-CG 4.41Å; L90-L94 WeakPolarHBondContact O-CB 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.26Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.02Å; A91-L94 PolarHBondContact O-N 3.26Å; L94-I97 HydrophobicContact CD2-CD1 3.63Å; L94-I97 WeakPolarHBondContact O-CB 3.2Å; L94-I97 WeakPolarHBondContact O-CG1 3.43Å; L94-I97 PolarHBondContact O-N 2.7Å; L94-R103 HydrophobicContact CB-CG 3.95Å; L94-R103 HydrophobicContact CD2-CG 4.29Å; L94-R103 WeakPolarHBondContact O-CD 3.29Å; L94-R103 PolarHBondContact O-NE 2.92Å; L94-L106 HydrophobicContact CD2-CD2 4.05Å; L94-L106 HydrophobicContact CD2-CG 4.37Å; L94-L107 HydrophobicContact CD1-CD1 4.28Å
95F89.6Confident88Confident33 Ų3348.6 Ų48.615%0.14524%0.243CC..THydrogen-bonded Turntrans-63.7-34.1-177.3-179-123.2000115.6L43 L69 A91 I97 L152L43-F95 HydrophobicContact CD1-CB 3.91Å; L43-F95 HydrophobicContact CD1-CD2 4.04Å; L43-F95 HydrophobicContact CD1-CG 4.49Å; L69-F95 HydrophobicContact CB-CE2 3.96Å; A91-F95 WeakPolarHBondContact O-CB 3.29Å; A91-F95 PolarHBondContact O-N 3.26Å; F95-I97 VanDerWaalsContact C-N 3.27Å; F95-I97 PolarHBondContact O-N 3.14Å; F95-L152 HydrophobicContact CB-CD2 3.74Å; F95-L152 HydrophobicContact CB-CG 4.31Å; F95-L152 HydrophobicContact CD1-CB 4.34Å; F95-L152 HydrophobicContact CD1-CD2 4.17Å; F95-L152 HydrophobicContact CD1-CG 4.11Å; F95-L152 HydrophobicContact CD2-CD2 4.15Å; F95-L152 HydrophobicContact CE1-CB 4.43Å; F95-L152 WeakPolarHBondContact CE1-O 3.45Å; F95-L152 HydrophobicContact CG-CD2 3.79Å; F95-L152 HydrophobicContact CG-CG 4.24Å
96P88.6Confident87.8Confident8 Ų844 Ų445%0.05222%0.222CC..THydrogen-bonded Turntrans-64.5-23.9171.8-28.639.3000115.3E92 T98 I155 W156 A192E92-P96 VanDerWaalsContact O-CD 3.24Å; E92-P96 WeakPolarHBondContact O-CD 3.35Å; P96-T98 PolarHBondContact O-N 2.85Å; P96-I155 WeakPolarHBondContact CG-O 3.31Å; P96-W156 HydrophobicContact CB-CD2 4.22Å; P96-W156 HydrophobicContact CB-CH2 4.4Å; P96-W156 HydrophobicContact CB-CZ2 3.89Å; P96-A192 HydrophobicContact CB-CB 3.68Å
97I88.4Confident87.6Confident0 Ų044.7 Ų44.70%023%0.226CC..  trans-70.2112.5-178.3-48.8177.5000107.9L94 F95 E102 R103 L106 A192 L193 D194L94-I97 HydrophobicContact CD2-CD1 3.63Å; L94-I97 WeakPolarHBondContact O-CB 3.2Å; L94-I97 WeakPolarHBondContact O-CG1 3.43Å; L94-I97 PolarHBondContact O-N 2.7Å; F95-I97 VanDerWaalsContact C-N 3.27Å; F95-I97 PolarHBondContact O-N 3.14Å; I97-E102 HydrophobicContact CG2-CB 4.48Å; I97-R103 HydrophobicContact CB-CB 4.03Å; I97-R103 HydrophobicContact CB-CG 4.03Å; I97-R103 HydrophobicContact CD1-CB 4.45Å; I97-R103 HydrophobicContact CD1-CG 4.15Å; I97-R103 HydrophobicContact CG2-CB 3.79Å; I97-R103 HydrophobicContact CG2-CG 4.36Å; I97-R103 VanDerWaalsContact O-CZ 3.27Å; I97-R103 PolarHBondContact O-NE 3.45Å; I97-R103 PolarHBondContact O-NH2 2.68Å; I97-L106 HydrophobicContact CD1-CD2 3.69Å; I97-A192 HydrophobicContact CG1-CB 4.34Å; I97-L193 HydrophobicContact CD1-CB 4.42Å; I97-D194 HydrophobicContact CD1-CB 4.08Å; I97-D194 HydrophobicContact CG1-CB 4.2Å; I97-D194 WeakPolarHBondContact CG1-OD1 3.49Å; I97-D194 HydrophobicContact CG2-CB 3.89Å
98T82.6Confident87.5Confident127 Ų12745.5 Ų45.578%0.77924%0.236SC*.  trans-82.1-33-17351.70000113.2P96 C100P96-T98 PolarHBondContact O-N 2.85Å; T98-C100 PolarHBondContact O-N 2.62Å
99N83.8Confident87.4Confident65 Ų6543.9 Ų43.935%0.34823%0.23SC..  trans-76.7114.9172.3-174.3-5.1000109.9E101 E102 R103N99-E101 VanDerWaalsContact C-N 3.28Å; N99-E101 PolarHBondContact O-N 2.82Å; N99-E101 PolarHBondContact OD1-N 2.97Å; N99-E102 HydrophobicContact CB-CB 4.1Å; N99-E102 HydrophobicContact CB-CG 4.14Å; N99-E102 WeakPolarHBondContact CB-OE1 3.11Å; N99-E102 PolarHBondContact ND2-OE1 2.69Å; N99-R103 VanDerWaalsContact O-CB 3.3Å; N99-R103 WeakPolarHBondContact O-CB 3.45Å; N99-R103 PolarHBondContact O-N 3.36Å
100C87.3Confident87.3Confident21 Ų2143.8 Ų43.814%0.14223%0.232CC..Hα-helixtrans-64.4-31.6179.6-630000112.4P39 R40 G41 T98 C104P39-C100 HydrophobicContact CB-CB 4.4Å; P39-C100 HydrophobicContact CG-CB 4.27Å; R40-C100 CarbonylContact O-C 3.54Å; R40-C100 VanDerWaalsContact O-CB 3.23Å; R40-C100 WeakPolarHBondContact O-CB 3.28Å; G41-C100 WeakPolarHBondContact CA-O 3.48Å; T98-C100 PolarHBondContact O-N 2.62Å; C100-C104 WeakPolarHBondContact O-CB 3.4Å; C100-C104 PolarHBondContact O-N 2.7Å
101E85.6Confident87Confident114 Ų11449 Ų4953%0.53326%0.26SS..Hα-helixtrans-72.1-47.8179.7-174.6147.6-132.300111.8N99 R103 C104 N105N99-E101 VanDerWaalsContact C-N 3.28Å; N99-E101 PolarHBondContact O-N 2.82Å; N99-E101 PolarHBondContact OD1-N 2.97Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 2.97Å; E101-C104 PolarHBondContact O-N 3.44Å; E101-C104 VanDerWaalsContact O-N 3.09Å; E101-N105 WeakPolarHBondContact O-CB 3.41Å; E101-N105 VanDerWaalsContact O-CG 3.25Å; E101-N105 PolarHBondContact O-N 3.43Å
102E84.8Confident86.8Confident71 Ų7152.1 Ų52.133%0.33227%0.272SS..Hα-helixtrans-57.1-43.9171.4-70.4169.7-119.900111.3I97 N99 C104 N105 L106 K195I97-E102 HydrophobicContact CG2-CB 4.48Å; N99-E102 HydrophobicContact CB-CB 4.1Å; N99-E102 HydrophobicContact CB-CG 4.14Å; N99-E102 WeakPolarHBondContact CB-OE1 3.11Å; N99-E102 PolarHBondContact ND2-OE1 2.69Å; E102-C104 VanDerWaalsContact C-N 3.29Å; E102-C104 PolarHBondContact O-N 2.91Å; E102-N105 PolarHBondContact O-N 2.72Å; E102-L106 WeakPolarHBondContact O-CB 3.41Å; E102-L106 PolarHBondContact O-N 3.33Å; E102-K195 IonicContact OE2-NZ 2.62Å; E102-K195 PolarHBondContact OE2-NZ 2.98Å
103R91.3Very high86.4Confident2 Ų250.3 Ų50.31%0.00826%0.264CS..Hα-helixtrans-60-36.7175.6-166.2-159.9-65.7164.9-13112.6M21 G41 D70 L94 I97 N99 E101 L107M21-R103 HydrophobicContact CE-CG 3.78Å; G41-R103 WeakPolarHBondContact O-CD 3.47Å; G41-R103 PolarHBondContact O-NH1 3.01Å; D70-R103 VanDerWaalsContact CG-NH1 3.33Å; D70-R103 IonicContact OD1-CZ 3.94Å; D70-R103 IonicContact OD1-NH1 2.77Å; D70-R103 PolarHBondContact OD1-NH1 2.87Å; D70-R103 VanDerWaalsContact OD1-NH1 3.09Å; D70-R103 IonicContact OD1-NH2 3.64Å; D70-R103 PolarHBondContact OD1-NH2 3.05Å; D70-R103 IonicContact OD2-CZ 2.72Å; D70-R103 IonicContact OD2-NH1 2.91Å; D70-R103 PolarHBondContact OD2-NH1 2.82Å; D70-R103 IonicContact OD2-NH2 3.43Å; L94-R103 HydrophobicContact CB-CG 3.95Å; L94-R103 HydrophobicContact CD2-CG 4.29Å; L94-R103 WeakPolarHBondContact O-CD 3.29Å; L94-R103 PolarHBondContact O-NE 2.92Å; I97-R103 HydrophobicContact CB-CB 4.03Å; I97-R103 HydrophobicContact CB-CG 4.03Å; I97-R103 HydrophobicContact CD1-CB 4.45Å; I97-R103 HydrophobicContact CD1-CG 4.15Å; I97-R103 HydrophobicContact CG2-CB 3.79Å; I97-R103 HydrophobicContact CG2-CG 4.36Å; I97-R103 VanDerWaalsContact O-CZ 3.27Å; I97-R103 PolarHBondContact O-NE 3.45Å; I97-R103 PolarHBondContact O-NH2 2.68Å; N99-R103 VanDerWaalsContact O-CB 3.3Å; N99-R103 WeakPolarHBondContact O-CB 3.45Å; N99-R103 PolarHBondContact O-N 3.36Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 2.97Å; R103-L107 PolarHBondContact O-N 2.97Å
104C87.6Confident86Confident0 Ų056.3 Ų56.30%029%0.291CS..Hα-helixtrans-78.5-37.3178.7-161.20000112.3M21 R40 C100 E101 E102 L107 C108M21-C104 HydrophobicContact SD-CB 3.99Å; R40-C104 HydrophobicContact CG-CB 3.95Å; R40-C104 WeakPolarHBondContact CG-SG 3.45Å; R40-C104 PolarHBondContact NE-SG 3.3Å; R40-C104 VanDerWaalsContact NE-SG 3.38Å; C100-C104 WeakPolarHBondContact O-CB 3.4Å; C100-C104 PolarHBondContact O-N 2.7Å; E101-C104 PolarHBondContact O-N 3.44Å; E101-C104 VanDerWaalsContact O-N 3.09Å; E102-C104 VanDerWaalsContact C-N 3.29Å; E102-C104 PolarHBondContact O-N 2.91Å; C104-L107 WeakPolarHBondContact O-CB 3.41Å; C104-L107 PolarHBondContact O-N 3.32Å; C104-L107 VanDerWaalsContact O-N 3.15Å; C104-C108 PolarHBondContact O-N 3.3Å; C104-C108 VanDerWaalsContact O-N 3.13Å; C104-C108 PolarHBondContact O-SG 3.04Å; C104-C108 VanDerWaalsContact O-SG 3.37Å
105N86.5Confident85.6Confident76 Ų7662.8 Ų62.841%0.40632%0.316SS..Hα-helixtrans-67.3-39.9177-65.8-11.7000110.7R40 E101 E102 L107 C108 D109R40-N105 PolarHBondContact NH1-OD1 3.49Å; R40-N105 PolarHBondContact NH2-OD1 3.06Å; E101-N105 WeakPolarHBondContact O-CB 3.41Å; E101-N105 VanDerWaalsContact O-CG 3.25Å; E101-N105 PolarHBondContact O-N 3.43Å; E102-N105 PolarHBondContact O-N 2.72Å; N105-L107 PolarHBondContact O-N 3.35Å; N105-C108 PolarHBondContact O-N 3.43Å; N105-D109 PolarHBondContact O-N 3.17Å
106L86.8Confident85Confident4 Ų461.4 Ų61.42%0.02131%0.31CS..Hα-helixtrans-65.1-19.1171.6-173.661.8000113.9L94 I97 E102 R112 L113 L193L94-L106 HydrophobicContact CD2-CD2 4.05Å; L94-L106 HydrophobicContact CD2-CG 4.37Å; I97-L106 HydrophobicContact CD1-CD2 3.69Å; E102-L106 WeakPolarHBondContact O-CB 3.41Å; E102-L106 PolarHBondContact O-N 3.33Å; L106-R112 HydrophobicContact CD1-CB 4.45Å; L106-R112 HydrophobicContact CD1-CG 3.9Å; L106-L113 HydrophobicContact CG-CD1 4.43Å; L106-L193 HydrophobicContact CD2-CD2 4.19Å; L106-L193 HydrophobicContact CD2-CG 4.4Å
107L87.4Confident84.7Confident27 Ų2765.2 Ų65.214%0.14132%0.323CS..Hα-helixtrans-83.7-24.5169.9-176.365.8000112.4M21 L86 L90 L94 R103 C104 N105 L113M21-L107 HydrophobicContact CB-CD2 3.85Å; M21-L107 HydrophobicContact CE-CB 4.13Å; M21-L107 HydrophobicContact CE-CD2 3.79Å; M21-L107 HydrophobicContact CG-CD2 4.22Å; M21-L107 HydrophobicContact SD-CB 4.12Å; M21-L107 HydrophobicContact SD-CD2 3.43Å; M21-L107 WeakPolarHBondContact SD-CD2 3.11Å; M21-L107 HydrophobicContact SD-CG 4.41Å; L86-L107 HydrophobicContact CD2-CD1 3.8Å; L86-L107 HydrophobicContact CD2-CD2 3.79Å; L86-L107 HydrophobicContact CD2-CG 4.49Å; L90-L107 HydrophobicContact CD2-CD1 3.88Å; L94-L107 HydrophobicContact CD1-CD1 4.28Å; R103-L107 PolarHBondContact O-N 2.97Å; C104-L107 WeakPolarHBondContact O-CB 3.41Å; C104-L107 PolarHBondContact O-N 3.32Å; C104-L107 VanDerWaalsContact O-N 3.15Å; N105-L107 PolarHBondContact O-N 3.35Å; L107-L113 HydrophobicContact CD1-CD2 4.33Å
108C85.3Confident84.5Confident84 Ų8471.2 Ų71.257%0.56836%0.355SS*.Hα-helixtrans-86.1-17.6177.9-66.80000113.5C104 N105C104-C108 PolarHBondContact O-N 3.3Å; C104-C108 VanDerWaalsContact O-N 3.13Å; C104-C108 PolarHBondContact O-SG 3.04Å; C104-C108 VanDerWaalsContact O-SG 3.37Å; N105-C108 PolarHBondContact O-N 3.43Å
109D85.8Confident84.8Confident61 Ų6165.1 Ų65.133%0.32632%0.318SS..  trans-95.986.1178-179.5-8.9000109.7N105 R112 L113N105-D109 PolarHBondContact O-N 3.17Å; D109-R112 HydrophobicContact CB-CB 4.24Å; D109-R112 WeakPolarHBondContact OD1-CB 3.44Å; D109-R112 PolarHBondContact OD1-N 2.88Å; D109-R112 WeakPolarHBondContact OD2-CB 3.28Å; D109-R112 WeakPolarHBondContact OD2-CD 3.21Å; D109-L113 WeakPolarHBondContact O-CB 3.33Å; D109-L113 PolarHBondContact O-N 3.21Å
110E83.7Confident85.1Confident153 Ų15366.3 Ų66.372%0.71533%0.325SS*.Hα-helixtrans-63.6-41.2-176.5-64.3-168.3140.800111.7L113 E114E110-L113 PolarHBondContact O-N 2.89Å; E110-E114 PolarHBondContact O-N 3.35Å
111D82.4Confident85.3Confident121 Ų12169.1 Ų69.165%0.64734%0.344SS*.Hα-helixtrans-64.3-42.9-179-70-30.8000112.5R115D111-R115 WeakPolarHBondContact O-CG 3.41Å; D111-R115 PolarHBondContact O-N 3.43Å; D111-R115 PolarHBondContact O-NE 3.17Å
112R84.2Confident85.5Confident65 Ų6566 Ų6625%0.24534%0.342CS..Hα-helixtrans-68-41.2172.6-173.2178177.9-164.4-1.3110.4L106 D109 E114 R115 V116 D194L106-R112 HydrophobicContact CD1-CB 4.45Å; L106-R112 HydrophobicContact CD1-CG 3.9Å; D109-R112 HydrophobicContact CB-CB 4.24Å; D109-R112 WeakPolarHBondContact OD1-CB 3.44Å; D109-R112 PolarHBondContact OD1-N 2.88Å; D109-R112 WeakPolarHBondContact OD2-CB 3.28Å; D109-R112 WeakPolarHBondContact OD2-CD 3.21Å; R112-E114 VanDerWaalsContact C-N 3.34Å; R112-E114 PolarHBondContact O-N 2.8Å; R112-R115 PolarHBondContact O-N 3.46Å; R112-V116 HydrophobicContact CG-CG2 3.9Å; R112-V116 WeakPolarHBondContact O-CB 3.01Å; R112-V116 WeakPolarHBondContact O-CG2 2.92Å; R112-V116 PolarHBondContact O-N 3.3Å; R112-D194 PolarHBondContact NH2-O 2.97Å
113L82.9Confident85.9Confident13 Ų1364 Ų647%0.06834%0.336CS..Hα-helixtrans-63.2-37.1-178.7-172.764.2000112.7L90 L106 L107 D109 E110 R117L90-L113 HydrophobicContact CD1-CD1 3.74Å; L90-L113 HydrophobicContact CD1-CD2 3.89Å; L90-L113 HydrophobicContact CD1-CG 4.28Å; L90-L113 HydrophobicContact CD2-CD2 4.48Å; L106-L113 HydrophobicContact CG-CD1 4.43Å; L107-L113 HydrophobicContact CD1-CD2 4.33Å; D109-L113 WeakPolarHBondContact O-CB 3.33Å; D109-L113 PolarHBondContact O-N 3.21Å; E110-L113 PolarHBondContact O-N 2.89Å; L113-R117 VanDerWaalsContact O-CD 3.29Å; L113-R117 WeakPolarHBondContact O-CD 3.37Å; L113-R117 WeakPolarHBondContact O-CG 3.43Å; L113-R117 PolarHBondContact O-N 3.12Å; L113-R117 VanDerWaalsContact O-N 3.12Å
114E82.1Confident85.9Confident138 Ų13868 Ų6865%0.64535%0.353SS*.Hα-helixtrans-66.9-56173.5-68.1-150.2143.900111.7E110 R112 V116 R117E110-E114 PolarHBondContact O-N 3.35Å; R112-E114 VanDerWaalsContact C-N 3.34Å; R112-E114 PolarHBondContact O-N 2.8Å; E114-V116 PolarHBondContact O-N 3.17Å; E114-V116 VanDerWaalsContact O-N 3.16Å; E114-R117 WeakPolarHBondContact O-CB 3.45Å; E114-R117 PolarHBondContact O-N 2.87Å
115R81.4Confident86.2Confident135 Ų13568 Ų6851%0.50935%0.353SS..Hα-helixtrans-51.8-42.6176.9-72.7173.9-71.8177.6-0.3112.4D111 R112 D118 L198D111-R115 WeakPolarHBondContact O-CG 3.41Å; D111-R115 PolarHBondContact O-N 3.43Å; D111-R115 PolarHBondContact O-NE 3.17Å; R112-R115 PolarHBondContact O-N 3.46Å; R115-D118 PolarHBondContact O-N 3.49Å; R115-L198 WeakPolarHBondContact O-CD1 3.32Å
116V77.6Confident86.5Confident4 Ų469.4 Ų69.42%0.02435%0.353CS..Hα-helixtrans-81.5-14.7-174174.10000112.6R112 E114 D118 I119 L193R112-V116 HydrophobicContact CG-CG2 3.9Å; R112-V116 WeakPolarHBondContact O-CB 3.01Å; R112-V116 WeakPolarHBondContact O-CG2 2.92Å; R112-V116 PolarHBondContact O-N 3.3Å; E114-V116 PolarHBondContact O-N 3.17Å; E114-V116 VanDerWaalsContact O-N 3.16Å; V116-D118 VanDerWaalsContact C-N 3.34Å; V116-I119 HydrophobicContact CB-CD1 4.31Å; V116-I119 HydrophobicContact CG1-CD1 3.9Å; V116-I119 HydrophobicContact CG2-CD1 4.35Å; V116-L193 HydrophobicContact CG1-CD1 3.35Å; V116-L193 HydrophobicContact CG1-CD2 3.83Å; V116-L193 HydrophobicContact CG1-CG 3.36Å
117R81.7Confident86.7Confident88 Ų8869.2 Ų69.233%0.33235%0.352SS..Hα-helixtrans-67-34.2167.8-81.8159.8170-126.4-13.1112.5D87 L93 L113 E114 I119 K143D87-R117 IonicContact OD2-CZ 3.51Å; D87-R117 IonicContact OD2-NH1 3.48Å; D87-R117 IonicContact OD2-NH2 3.5Å; D87-R117 PolarHBondContact OD2-NH2 3.1Å; L93-R117 HydrophobicContact CD1-CG 4.36Å; L113-R117 VanDerWaalsContact O-CD 3.29Å; L113-R117 WeakPolarHBondContact O-CD 3.37Å; L113-R117 WeakPolarHBondContact O-CG 3.43Å; L113-R117 PolarHBondContact O-N 3.12Å; L113-R117 VanDerWaalsContact O-N 3.12Å; E114-R117 WeakPolarHBondContact O-CB 3.45Å; E114-R117 PolarHBondContact O-N 2.87Å; R117-I119 VanDerWaalsContact C-N 3.29Å; R117-I119 PolarHBondContact O-N 3.49Å; R117-K143 PolarHBondContact O-NZ 2.78Å
118D83.7Confident86.8Confident126 Ų12670.1 Ų70.167%0.67436%0.356SS*.THydrogen-bonded Turntrans-82.2-0.3-175.7-70.7-20.5000114.1R115 V116 D120R115-D118 PolarHBondContact O-N 3.49Å; V116-D118 VanDerWaalsContact C-N 3.34Å; D118-D120 PolarHBondContact O-N 3.41Å; D118-D120 VanDerWaalsContact O-N 3.12Å
119I89.3Confident86.4Confident0 Ų068.6 Ų68.60%034%0.341CS..  trans-64.3110.3169.1-62.1-178.6000109.6V116 R117 V125 V140 K143 F157 L196 L198V116-I119 HydrophobicContact CB-CD1 4.31Å; V116-I119 HydrophobicContact CG1-CD1 3.9Å; V116-I119 HydrophobicContact CG2-CD1 4.35Å; R117-I119 VanDerWaalsContact C-N 3.29Å; R117-I119 PolarHBondContact O-N 3.49Å; I119-V125 HydrophobicContact CD1-CG1 4.08Å; I119-V125 HydrophobicContact CG1-CG1 4.36Å; I119-V125 HydrophobicContact CG2-CG1 3.94Å; I119-V140 HydrophobicContact CG2-CG2 3.62Å; I119-K143 WeakPolarHBondContact O-CD 3.5Å; I119-K143 WeakPolarHBondContact O-CE 3.3Å; I119-K143 PolarHBondContact O-NZ 3.14Å; I119-F157 HydrophobicContact CB-CE1 4.16Å; I119-F157 HydrophobicContact CG2-CD1 3.9Å; I119-F157 HydrophobicContact CG2-CE1 3.75Å; I119-L196 HydrophobicContact CD1-CB 3.86Å; I119-L196 HydrophobicContact CD1-CD1 4.46Å; I119-L196 HydrophobicContact CG2-CD1 4.4Å; I119-L198 HydrophobicContact CD1-CG 4.4Å; I119-L198 HydrophobicContact CG1-CD2 3.7Å; I119-L198 HydrophobicContact CG1-CG 3.73Å
120D90.8Very high86Confident90 Ų9074.2 Ų74.248%0.48136%0.358SS..  trans-126.8173.4178.4-106.4-3.3000111.5D118 G122 S123 V140 K143D118-D120 PolarHBondContact O-N 3.41Å; D118-D120 VanDerWaalsContact O-N 3.12Å; D120-G122 PolarHBondContact O-N 3.05Å; D120-S123 PolarHBondContact N-OG 2.89Å; D120-S123 WeakPolarHBondContact O-CB 3.42Å; D120-S123 PolarHBondContact O-N 3.44Å; D120-S123 PolarHBondContact O-OG 3.39Å; D120-V140 WeakPolarHBondContact O-CB 3.44Å; D120-K143 WeakPolarHBondContact OD1-CD 3.36Å; D120-K143 WeakPolarHBondContact OD1-CE 3.35Å; D120-K143 IonicContact OD1-NZ 3.65Å; D120-K143 PolarHBondContact OD1-NZ 2.81Å
121C90.9Very high85.3Confident80 Ų8072.2 Ų72.254%0.54136%0.361SS..THydrogen-bonded Turntrans-61.7105.1178.3-66.80000111.4V140 K143C121-V140 CarbonylContact C-O 3.59Å; C121-K143 PolarHBondContact SG-N 2.82Å; C121-K143 VanDerWaalsContact SG-N 3.38Å
122G88.6Confident84.5Confident49 Ų4970.3 Ų70.351%0.50537%0.37SS..THydrogen-bonded Turntrans127.6-23.4-173.900000113.4D120 K124 V140D120-G122 PolarHBondContact O-N 3.05Å; G122-K124 PolarHBondContact O-N 3.27Å; G122-V140 PolarHBondContact N-O 3.15Å
123S93.1Very high84.2Confident28 Ų2871.1 Ų71.120%0.19638%0.379CS..  trans-61134.4178.5-58.40000111.5D120 V139 V140D120-S123 PolarHBondContact N-OG 2.89Å; D120-S123 WeakPolarHBondContact O-CB 3.42Å; D120-S123 PolarHBondContact O-N 3.44Å; D120-S123 PolarHBondContact O-OG 3.39Å; S123-V139 WeakPolarHBondContact O-CA 3.44Å; S123-V140 PolarHBondContact O-N 2.96Å
124K92.8Very high84Confident85 Ų8578 Ų7837%0.3741%0.411SS..EExtended strand (participates in β ladder)trans-69.9137.9161.6-75.1178164.31790108.9G122 V139 W199 D201G122-K124 PolarHBondContact O-N 3.27Å; K124-V139 HydrophobicContact CG-CG2 4.14Å; K124-W199 HydrophobicContact CB-CB 4.07Å; K124-W199 WeakPolarHBondContact CB-O 3.49Å; K124-W199 PolarHBondContact O-N 2.88Å; K124-W199 VanDerWaalsContact O-N 3.1Å; K124-D201 IonicContact NZ-OD1 2.74Å; K124-D201 PolarHBondContact NZ-OD1 3.36Å; K124-D201 IonicContact NZ-OD2 3.6Å; K124-D201 PolarHBondContact NZ-OD2 3.44Å
125V93.9Very high84.3Confident0 Ų073 Ų730%039%0.391CS..EExtended strand (participates in β ladder)trans-143.2155.5-178-70.60000110.8I119 V127 G138 V140 V159 L196 E197I119-V125 HydrophobicContact CD1-CG1 4.08Å; I119-V125 HydrophobicContact CG1-CG1 4.36Å; I119-V125 HydrophobicContact CG2-CG1 3.94Å; V125-V127 HydrophobicContact CG2-CG2 4.02Å; V125-G138 PolarHBondContact N-O 3.39Å; V125-G138 PolarHBondContact O-N 3.12Å; V125-G138 VanDerWaalsContact O-O 3.1Å; V125-V140 HydrophobicContact CG1-CG2 3.8Å; V125-V140 HydrophobicContact CG2-CG2 3.83Å; V125-V159 HydrophobicContact CG2-CG1 3.72Å; V125-L196 HydrophobicContact CB-CD2 4.3Å; V125-L196 HydrophobicContact CG2-CD2 4.1Å; V125-E197 CarbonylContact C-O 3.57Å; V125-E197 WeakPolarHBondContact CA-O 3.46Å; V125-E197 VanDerWaalsContact CB-O 3.28Å; V125-E197 WeakPolarHBondContact CB-O 3.2Å
126R92.1Very high84.8Confident106 Ų10667.5 Ų67.540%0.437%0.371SS..EExtended strand (participates in β ladder)trans-94.7143.1158.7-68-176.4179.6-166.20.4109.3P135 L136 E197 W199R126-P135 HydrophobicContact CB-CB 3.8Å; R126-P135 HydrophobicContact CG-CB 4.48Å; R126-L136 CarbonylContact C-O 3.46Å; R126-L136 WeakPolarHBondContact CA-O 3.43Å; R126-E197 HydrophobicContact CB-CB 4.47Å; R126-E197 PolarHBondContact N-O 3.25Å; R126-E197 PolarHBondContact O-N 3.4Å; R126-W199 HydrophobicContact CG-CB 4.48Å; R126-W199 HydrophobicContact CG-CD2 4.27Å; R126-W199 HydrophobicContact CG-CE3 3.58Å; R126-W199 HydrophobicContact CG-CZ3 4.18Å
127V91.3Very high85.6Confident0 Ų068 Ų680%037%0.374CS..EExtended strand (participates in β ladder)trans-126.5115.6-172-166.50000111V125 L129 L136 V159 L161 V189 V191 K195 L196V125-V127 HydrophobicContact CG2-CG2 4.02Å; V127-L129 HydrophobicContact CG1-CD2 3.85Å; V127-L129 PolarHBondContact O-N 3.1Å; V127-L136 PolarHBondContact N-O 3.27Å; V127-L136 PolarHBondContact O-N 2.96Å; V127-V159 HydrophobicContact CG2-CB 4.44Å; V127-V159 HydrophobicContact CG2-CG1 3.82Å; V127-L161 HydrophobicContact CB-CD2 4.03Å; V127-L161 HydrophobicContact CG1-CD2 4.41Å; V127-L161 HydrophobicContact CG2-CD2 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.26Å; V127-V191 HydrophobicContact CG1-CG1 4.23Å; V127-V191 HydrophobicContact CG1-CG2 4.42Å; V127-K195 WeakPolarHBondContact CA-O 3.34Å; V127-L196 HydrophobicContact CB-CD2 4.34Å; V127-L196 HydrophobicContact CG1-CD2 4.1Å; V127-L196 HydrophobicContact CG2-CD2 3.88Å
128Q88.5Confident86.1Confident47 Ų4764 Ų6422%0.2236%0.36CS..  trans-83.3102.2176.2-16569.856.400110.2R130 D133 K195Q128-R130 PolarHBondContact NE2-O 3.16Å; Q128-D133 PolarHBondContact NE2-O 3.1Å; Q128-K195 HydrophobicContact CB-CB 4.34Å; Q128-K195 HydrophobicContact CB-CD 3.91Å; Q128-K195 HydrophobicContact CG-CD 4.25Å; Q128-K195 PolarHBondContact N-O 3.38Å; Q128-K195 WeakPolarHBondContact O-CD 3.13Å
129L77.6Confident86.6Confident52 Ų5258.6 Ų58.627%0.27233%0.332SS..  trans-81.2-32.4178.9-62.8-170.4000113.7V127 L136 L161 Q168 V189V127-L129 HydrophobicContact CG1-CD2 3.85Å; V127-L129 PolarHBondContact O-N 3.1Å; L129-L136 HydrophobicContact CD1-CD1 3.55Å; L129-L136 HydrophobicContact CG-CD1 4.02Å; L129-L161 HydrophobicContact CD1-CD1 3.99Å; L129-Q168 HydrophobicContact CD1-CB 4.1Å; L129-V189 HydrophobicContact CD2-CB 4.49Å; L129-V189 HydrophobicContact CD2-CG1 3.96Å; L129-V189 HydrophobicContact CD2-CG2 4.41Å
130R76.8Confident86.9Confident178 Ų17858.6 Ų58.667%0.67233%0.332SS*.SBendtrans-147147.5179.6-45-175.1-172.1172.13.6109.4Q128 G132 D133Q128-R130 PolarHBondContact NE2-O 3.16Å; R130-G132 PolarHBondContact O-N 2.9Å; R130-D133 WeakPolarHBondContact CB-OD2 3.29Å; R130-D133 VanDerWaalsContact CD-OD2 3.27Å; R130-D133 WeakPolarHBondContact CD-OD2 3.08Å; R130-D133 WeakPolarHBondContact CG-OD2 3.37Å; R130-D133 PolarHBondContact O-N 3.35Å
131S69.3Low86.9Confident111 Ų11159.4 Ų59.478%0.77633%0.328SS*.THydrogen-bonded Turntrans-68.4122.2177.2-49.40000110.6
132G66.3Low87Confident81 Ų8157.1 Ų57.184%0.83531%0.309SS*.THydrogen-bonded Turntrans96.3-5179.100000116.1R130R130-G132 PolarHBondContact O-N 2.9Å
133D77.3Confident87.2Confident83 Ų8357.4 Ų57.444%0.44430%0.296SS..SBendtrans-86.4161.1164-68-24000109.9Q128 R130Q128-D133 PolarHBondContact NE2-O 3.1Å; R130-D133 WeakPolarHBondContact CB-OD2 3.29Å; R130-D133 VanDerWaalsContact CD-OD2 3.27Å; R130-D133 WeakPolarHBondContact CD-OD2 3.08Å; R130-D133 WeakPolarHBondContact CG-OD2 3.37Å; R130-D133 PolarHBondContact O-N 3.35Å
134E79.9Confident86.9Confident158 Ų15856.9 Ų56.974%0.73830%0.295SS*.PPolyproline II helixtrans-67.7141.8173.6-76.8-67.3157.300112.4L136E134-L136 PolarHBondContact O-N 3.29Å
135P88Confident86.6Confident33 Ų3354.7 Ų54.721%0.21429%0.291CS..PPolyproline II helixtrans-64.2119.6176.1-18.529.6000112.6R126R126-P135 HydrophobicContact CB-CB 3.8Å; R126-P135 HydrophobicContact CG-CB 4.48Å
136L92.1Very high85.9Confident18 Ų1855.4 Ų55.49%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-82.5146.8-171.9-67.4172.9000113.4R126 V127 L129 E134 L161 Q168R126-L136 CarbonylContact C-O 3.46Å; R126-L136 WeakPolarHBondContact CA-O 3.43Å; V127-L136 PolarHBondContact N-O 3.27Å; V127-L136 PolarHBondContact O-N 2.96Å; L129-L136 HydrophobicContact CD1-CD1 3.55Å; L129-L136 HydrophobicContact CG-CD1 4.02Å; E134-L136 PolarHBondContact O-N 3.29Å; L136-L161 HydrophobicContact CB-CD2 4.44Å; L136-Q168 HydrophobicContact CD1-CB 4.09Å; L136-Q168 HydrophobicContact CD1-CG 4.38Å
137P92.6Very high84.9Confident15 Ų1552.8 Ų52.810%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-59.1139.3172.9-19.929.8000112.7L161 L162 W199P137-L161 CarbonylContact O-C 3.57Å; P137-L161 WeakPolarHBondContact O-CA 3.3Å; P137-L162 HydrophobicContact CB-CB 4.02Å; P137-L162 PolarHBondContact O-N 3.44Å; P137-W199 HydrophobicContact CB-CH2 4.32Å; P137-W199 HydrophobicContact CB-CZ3 3.66Å; P137-W199 HydrophobicContact CG-CH2 4.2Å; P137-W199 HydrophobicContact CG-CZ3 3.8Å
138G93.3Very high83.2Confident3 Ų358.2 Ų58.23%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-160.3166.8174.100000115V125 E160V125-G138 PolarHBondContact N-O 3.39Å; V125-G138 PolarHBondContact O-N 3.12Å; V125-G138 VanDerWaalsContact O-O 3.1Å; G138-E160 CarbonylContact C-O 3.46Å; G138-E160 VanDerWaalsContact CA-O 3.22Å; G138-E160 WeakPolarHBondContact CA-O 3.45Å
139V94.4Very high81.7Confident13 Ų1363.7 Ų63.78%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-130.4129172.1173.20000109.9S123 K124 R141 V159 E160 L162S123-V139 WeakPolarHBondContact O-CA 3.44Å; K124-V139 HydrophobicContact CG-CG2 4.14Å; V139-R141 VanDerWaalsContact CG1-NH1 3.35Å; V139-R141 PolarHBondContact O-N 2.75Å; V139-V159 WeakPolarHBondContact O-CG1 3.17Å; V139-E160 PolarHBondContact N-O 3.19Å; V139-E160 PolarHBondContact O-N 2.85Å; V139-L162 HydrophobicContact CG2-CD1 3.67Å; V139-L162 HydrophobicContact CG2-CG 4.32Å
140V94.9Very high80.9Confident0 Ų068.3 Ų68.30%037%0.368CS..EExtended strand (participates in β ladder)trans-68.4124.2179.7-177.30000109.9I119 D120 C121 G122 S123 V125 F142 F157 V159I119-V140 HydrophobicContact CG2-CG2 3.62Å; D120-V140 WeakPolarHBondContact O-CB 3.44Å; C121-V140 CarbonylContact C-O 3.59Å; G122-V140 PolarHBondContact N-O 3.15Å; S123-V140 PolarHBondContact O-N 2.96Å; V125-V140 HydrophobicContact CG1-CG2 3.8Å; V125-V140 HydrophobicContact CG2-CG2 3.83Å; V140-F142 WeakPolarHBondContact CG1-O 3.35Å; V140-F157 HydrophobicContact CG1-CD1 4.1Å; V140-V159 HydrophobicContact CG2-CG2 4.2Å
141R91.4Very high80.2Confident108 Ų10862.2 Ų62.241%0.40836%0.356SS..EExtended strand (participates in β ladder)trans-112.5-16.5179.5-59.6-53-162.8-163.80.1113.5V139 G158 E160 F181V139-R141 VanDerWaalsContact CG1-NH1 3.35Å; V139-R141 PolarHBondContact O-N 2.75Å; R141-G158 PolarHBondContact N-O 2.96Å; R141-E160 HydrophobicContact CG-CB 3.68Å; R141-E160 IonicContact CZ-OE2 3.4Å; R141-E160 IonicContact NE-OE2 3.35Å; R141-E160 PolarHBondContact NE-OE2 2.92Å; R141-E160 IonicContact NH2-OE2 2.69Å; R141-E160 PolarHBondContact NH2-OE2 2.93Å; R141-F181 HydrophobicContact CB-CB 3.52Å; R141-F181 HydrophobicContact CB-CD1 4.24Å; R141-F181 HydrophobicContact CB-CD2 3.44Å; R141-F181 VanDerWaalsContact CB-CD2 3.44Å; R141-F181 HydrophobicContact CB-CE2 4.12Å; R141-F181 HydrophobicContact CB-CG 3.5Å; R141-F181 VanDerWaalsContact CB-CG 3.5Å; R141-F181 HydrophobicContact CG-CD2 3.79Å; R141-F181 HydrophobicContact CG-CE2 4.26Å; R141-F181 HydrophobicContact CG-CG 4.36Å
142F92.5Very high80.5Confident31 Ų3157.2 Ų57.214%0.13632%0.32CS..EExtended strand (participates in β ladder)trans-146.3141176.6170.7-92.4000110.3V140 G144 L146 F157 G158 L180 F181 F190V140-F142 WeakPolarHBondContact CG1-O 3.35Å; F142-G144 WeakPolarHBondContact CE1-O 3.13Å; F142-L146 HydrophobicContact CE1-CD2 3.73Å; F142-L146 HydrophobicContact CZ-CD2 4.16Å; F142-F157 CarbonylContact O-C 3.56Å; F142-F157 WeakPolarHBondContact O-CA 3.26Å; F142-G158 PolarHBondContact N-O 3.05Å; F142-G158 PolarHBondContact O-N 2.94Å; F142-L180 HydrophobicContact CD1-CD1 4.49Å; F142-L180 HydrophobicContact CD2-CB 3.87Å; F142-L180 HydrophobicContact CD2-CD1 4.45Å; F142-L180 HydrophobicContact CD2-CD2 4.46Å; F142-L180 HydrophobicContact CD2-CG 4.49Å; F142-L180 HydrophobicContact CE1-CD1 4.16Å; F142-L180 HydrophobicContact CE2-CB 4.2Å; F142-L180 HydrophobicContact CE2-CD1 4.12Å; F142-L180 HydrophobicContact CE2-CD2 3.98Å; F142-L180 HydrophobicContact CE2-CG 4.33Å; F142-L180 HydrophobicContact CG-CB 4.19Å; F142-L180 HydrophobicContact CZ-CD1 3.96Å; F142-L180 HydrophobicContact CZ-CD2 4.44Å; F142-F181 HydrophobicContact CB-CD1 3.9Å; F142-F190 HydrophobicContact CD1-CD1 4.32Å; F142-F190 AromaticContact CD1-CE1 3.81Å; F142-F190 HydrophobicContact CD1-CE1 3.81Å; F142-F190 HydrophobicContact CE1-CE1 4.33Å; F142-F190 HydrophobicContact CG-CE1 4.37Å
143K92.7Very high81.2Confident55 Ų5554.9 Ų54.924%0.23929%0.291CS..EExtended strand (participates in β ladder)trans-138.3121.6170.7-179.1179.5-178.8175.30107.6R117 I119 D120 C121 I155 W156 F157R117-K143 PolarHBondContact O-NZ 2.78Å; I119-K143 WeakPolarHBondContact O-CD 3.5Å; I119-K143 WeakPolarHBondContact O-CE 3.3Å; I119-K143 PolarHBondContact O-NZ 3.14Å; D120-K143 WeakPolarHBondContact OD1-CD 3.36Å; D120-K143 WeakPolarHBondContact OD1-CE 3.35Å; D120-K143 IonicContact OD1-NZ 3.65Å; D120-K143 PolarHBondContact OD1-NZ 2.81Å; C121-K143 PolarHBondContact SG-N 2.82Å; C121-K143 VanDerWaalsContact SG-N 3.38Å; K143-I155 HydrophobicContact CG-CG2 3.73Å; K143-W156 WeakPolarHBondContact CA-O 3.49Å; K143-F157 HydrophobicContact CB-CD1 4.39Å; K143-F157 HydrophobicContact CB-CE1 4.35Å; K143-F157 HydrophobicContact CD-CD1 4.48Å; K143-F157 HydrophobicContact CD-CE1 3.68Å; K143-F157 HydrophobicContact CD-CZ 4.1Å; K143-F157 HydrophobicContact CG-CD1 4.15Å; K143-F157 HydrophobicContact CG-CE1 3.68Å; K143-F157 HydrophobicContact CG-CZ 3.99Å
144G87Confident81.6Confident17 Ų1751.3 Ų51.318%0.17527%0.274CS..EExtended strand (participates in β ladder)trans154.3-178.2176.600000114.8F142 W156F142-G144 WeakPolarHBondContact CE1-O 3.13Å; G144-W156 PolarHBondContact N-O 3.03Å; G144-W156 PolarHBondContact O-N 3.36Å
145S85.9Confident82Confident40 Ų4045 Ų4528%0.2825%0.245SC..EExtended strand (participates in β ladder)trans-73.6131.6-178.8177.60000113.1L147 G154S145-L147 PolarHBondContact OG-N 3.29Å; S145-L147 VanDerWaalsContact OG-N 3.1Å; S145-L147 PolarHBondContact OG-O 2.83Å; S145-L147 VanDerWaalsContact OG-O 3.06Å; S145-G154 WeakPolarHBondContact CA-O 3.37Å
146L80.3Confident82.2Confident15 Ų1546.9 Ų46.98%0.07925%0.248CC..SBendtrans-85.6-16.2169.5-62.2179.7000112.8F142 W156 Y175 L180 F190F142-L146 HydrophobicContact CE1-CD2 3.73Å; F142-L146 HydrophobicContact CZ-CD2 4.16Å; L146-W156 HydrophobicContact CD1-CB 3.68Å; L146-W156 HydrophobicContact CD1-CD2 3.81Å; L146-W156 HydrophobicContact CD1-CE3 4.34Å; L146-W156 HydrophobicContact CD1-CG 3.49Å; L146-W156 VanDerWaalsContact CD1-CG 3.49Å; L146-W156 HydrophobicContact CG-CB 3.78Å; L146-W156 HydrophobicContact CG-CG 3.76Å; L146-Y175 HydrophobicContact CB-CD1 3.99Å; L146-Y175 HydrophobicContact CB-CE1 3.68Å; L146-Y175 HydrophobicContact CD1-CD1 4.49Å; L146-Y175 HydrophobicContact CD1-CD2 4.03Å; L146-Y175 HydrophobicContact CD1-CE1 4.4Å; L146-Y175 HydrophobicContact CD1-CE2 3.93Å; L146-Y175 HydrophobicContact CD1-CG 4.32Å; L146-Y175 HydrophobicContact CD2-CD1 4.08Å; L146-Y175 HydrophobicContact CD2-CG 4.06Å; L146-Y175 HydrophobicContact CG-CD1 4.41Å; L146-Y175 HydrophobicContact CG-CE1 4.44Å; L146-L180 HydrophobicContact CD2-CD1 3.29Å; L146-F190 HydrophobicContact CD1-CB 4.26Å; L146-F190 HydrophobicContact CD1-CD1 4.12Å; L146-F190 HydrophobicContact CD1-CG 4.21Å; L146-F190 HydrophobicContact CD2-CD1 4.03Å; L146-F190 HydrophobicContact CD2-CE1 3.92Å
147L70.4Confident82.3Confident50 Ų5046 Ų4626%0.26224%0.243SC..  trans-129.890.8-172.3-63.7178000109.8S145 D149 Y175S145-L147 PolarHBondContact OG-N 3.29Å; S145-L147 VanDerWaalsContact OG-N 3.1Å; S145-L147 PolarHBondContact OG-O 2.83Å; S145-L147 VanDerWaalsContact OG-O 3.06Å; L147-D149 VanDerWaalsContact C-N 3.26Å; L147-D149 PolarHBondContact O-N 3.06Å; L147-Y175 HydrophobicContact CD2-CE1 4.49Å
148P55.3Low82.3Confident115 Ų11545.3 Ų45.375%0.74724%0.239SC*.SBendtrans-807.2-166.833-38.1000115.6
149D57.6Low82.3Confident161 Ų16145.1 Ų45.186%0.86124%0.237SC*.SBendtrans-131.258.7-174.2-161.319.6000111L147L147-D149 VanDerWaalsContact C-N 3.26Å; L147-D149 PolarHBondContact O-N 3.06Å
150R60.2Low82.2Confident150 Ų15045.4 Ų45.457%0.56624%0.238SC*.SBendtrans-135.6153.5174.4-73.8-169.6174.3-162.80.2110.4L152R150-L152 WeakPolarHBondContact CB-O 3.33Å; R150-L152 PolarHBondContact O-N 3.48Å
151A62.3Low82.1Confident50 Ų5045.4 Ų45.441%0.41324%0.238SC..SBendtrans-66.3-13.7178.300000114.4
152L76.9Confident82Confident6 Ų642.5 Ų42.53%0.03123%0.23CC..SBendtrans-139.7128.7167.8179.760.6000107.5F19 L69 A91 E92 F95 R150 G154F19-L152 HydrophobicContact CD1-CD1 4.5Å; F19-L152 HydrophobicContact CD1-CD2 4.16Å; F19-L152 HydrophobicContact CE1-CB 4.24Å; F19-L152 HydrophobicContact CE1-CD1 3.99Å; F19-L152 HydrophobicContact CE1-CD2 4.13Å; F19-L152 HydrophobicContact CE1-CG 4.36Å; F19-L152 HydrophobicContact CE2-CD1 4.11Å; F19-L152 HydrophobicContact CZ-CD1 3.79Å; L69-L152 HydrophobicContact CD1-CB 4.3Å; L69-L152 HydrophobicContact CD1-CD2 3.7Å; A91-L152 HydrophobicContact CB-CD1 4.21Å; A91-L152 HydrophobicContact CB-CD2 4.11Å; E92-L152 HydrophobicContact CB-CD1 4.46Å; E92-L152 HydrophobicContact CG-CD1 3.54Å; E92-L152 HydrophobicContact CG-CG 4.46Å; F95-L152 HydrophobicContact CB-CD2 3.74Å; F95-L152 HydrophobicContact CB-CG 4.31Å; F95-L152 HydrophobicContact CD1-CB 4.34Å; F95-L152 HydrophobicContact CD1-CD2 4.17Å; F95-L152 HydrophobicContact CD1-CG 4.11Å; F95-L152 HydrophobicContact CD2-CD2 4.15Å; F95-L152 HydrophobicContact CE1-CB 4.43Å; F95-L152 WeakPolarHBondContact CE1-O 3.45Å; F95-L152 HydrophobicContact CG-CD2 3.79Å; F95-L152 HydrophobicContact CG-CG 4.24Å; R150-L152 WeakPolarHBondContact CB-O 3.33Å; R150-L152 PolarHBondContact O-N 3.48Å; L152-G154 PolarHBondContact O-N 3.16Å
153S79.8Confident81.6Confident32 Ų3247.9 Ų47.922%0.22426%0.256CS..  trans-98.780.5-171.7-80.10000111.7E92 I155E92-S153 WeakPolarHBondContact OE1-CB 3.3Å; S153-I155 PolarHBondContact O-N 3.34Å
154G86.3Confident81Confident8 Ų852.9 Ų52.98%0.08228%0.28CS..  trans-53.5128.7-176.900000114.1E92 S145 L152 W156E92-G154 CarbonylContact O-C 3.56Å; E92-G154 VanDerWaalsContact O-CA 3.25Å; E92-G154 WeakPolarHBondContact O-CA 3.32Å; S145-G154 WeakPolarHBondContact CA-O 3.37Å; L152-G154 PolarHBondContact O-N 3.16Å; G154-W156 VanDerWaalsContact O-CD1 3.31Å
155I89.1Confident80.5Confident26 Ų2652 Ų5213%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-87.5114.3-175.5-69.4164.3000110.6E92 L93 P96 K143 S153 F157E92-I155 HydrophobicContact CB-CD1 3.7Å; E92-I155 HydrophobicContact CB-CG1 3.99Å; E92-I155 PolarHBondContact O-N 3.48Å; L93-I155 HydrophobicContact CD2-CB 4.13Å; L93-I155 HydrophobicContact CD2-CD1 4.27Å; L93-I155 HydrophobicContact CD2-CG2 3.93Å; L93-I155 HydrophobicContact CG-CD1 4.3Å; P96-I155 WeakPolarHBondContact CG-O 3.31Å; K143-I155 HydrophobicContact CG-CG2 3.73Å; S153-I155 PolarHBondContact O-N 3.34Å; I155-F157 HydrophobicContact CG2-CE2 3.9Å; I155-F157 HydrophobicContact CG2-CZ 4.14Å
156W91.6Very high80.2Confident71 Ų7155.4 Ų55.427%0.26928%0.278SS..EExtended strand (participates in β ladder)trans-100.7152.8174.7-65.976.2000111.2P96 K143 G144 L146 G154 A192P96-W156 HydrophobicContact CB-CD2 4.22Å; P96-W156 HydrophobicContact CB-CH2 4.4Å; P96-W156 HydrophobicContact CB-CZ2 3.89Å; K143-W156 WeakPolarHBondContact CA-O 3.49Å; G144-W156 PolarHBondContact N-O 3.03Å; G144-W156 PolarHBondContact O-N 3.36Å; L146-W156 HydrophobicContact CD1-CB 3.68Å; L146-W156 HydrophobicContact CD1-CD2 3.81Å; L146-W156 HydrophobicContact CD1-CE3 4.34Å; L146-W156 HydrophobicContact CD1-CG 3.49Å; L146-W156 VanDerWaalsContact CD1-CG 3.49Å; L146-W156 HydrophobicContact CG-CB 3.78Å; L146-W156 HydrophobicContact CG-CG 3.76Å; G154-W156 VanDerWaalsContact O-CD1 3.31Å; W156-A192 HydrophobicContact CZ3-CB 4.42Å
157F93.2Very high80Confident0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-110.3115.1179.2-65.7-101.6000109L93 I119 V140 F142 K143 I155 V159 F190 V191 L193 L196L93-F157 HydrophobicContact CD2-CE2 3.91Å; L93-F157 HydrophobicContact CD2-CZ 3.77Å; I119-F157 HydrophobicContact CB-CE1 4.16Å; I119-F157 HydrophobicContact CG2-CD1 3.9Å; I119-F157 HydrophobicContact CG2-CE1 3.75Å; V140-F157 HydrophobicContact CG1-CD1 4.1Å; F142-F157 CarbonylContact O-C 3.56Å; F142-F157 WeakPolarHBondContact O-CA 3.26Å; K143-F157 HydrophobicContact CB-CD1 4.39Å; K143-F157 HydrophobicContact CB-CE1 4.35Å; K143-F157 HydrophobicContact CD-CD1 4.48Å; K143-F157 HydrophobicContact CD-CE1 3.68Å; K143-F157 HydrophobicContact CD-CZ 4.1Å; K143-F157 HydrophobicContact CG-CD1 4.15Å; K143-F157 HydrophobicContact CG-CE1 3.68Å; K143-F157 HydrophobicContact CG-CZ 3.99Å; I155-F157 HydrophobicContact CG2-CE2 3.9Å; I155-F157 HydrophobicContact CG2-CZ 4.14Å; F157-V159 HydrophobicContact CB-CG2 4.31Å; F157-F190 CarbonylContact O-C 3.56Å; F157-F190 WeakPolarHBondContact O-CA 3.33Å; F157-V191 HydrophobicContact CB-CG2 4.33Å; F157-V191 PolarHBondContact N-O 2.83Å; F157-V191 PolarHBondContact O-N 3.31Å; F157-L193 HydrophobicContact CD2-CD1 4.36Å; F157-L193 HydrophobicContact CE1-CD1 4.41Å; F157-L193 HydrophobicContact CE2-CB 4.45Å; F157-L193 HydrophobicContact CE2-CD1 3.52Å; F157-L193 HydrophobicContact CZ-CD1 3.54Å; F157-L196 HydrophobicContact CB-CD1 3.51Å; F157-L196 HydrophobicContact CD1-CD1 3.8Å; F157-L196 HydrophobicContact CD2-CD1 4.15Å; F157-L196 HydrophobicContact CG-CD1 3.55Å
158G92.3Very high80.4Confident0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-88.711617000000109.1R141 F142 F181 V189R141-G158 PolarHBondContact N-O 2.96Å; F142-G158 PolarHBondContact N-O 3.05Å; F142-G158 PolarHBondContact O-N 2.94Å; G158-F181 VanDerWaalsContact CA-CE1 3.46Å; G158-V189 CarbonylContact C-O 3.51Å; G158-V189 VanDerWaalsContact CA-O 3.3Å; G158-V189 WeakPolarHBondContact CA-O 3.47Å
159V93.4Very high81.4Confident0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-118.5137-173.2-167.80000109.6V125 V127 V139 V140 F157 G188 V189 V191 L196V125-V159 HydrophobicContact CG2-CG1 3.72Å; V127-V159 HydrophobicContact CG2-CB 4.44Å; V127-V159 HydrophobicContact CG2-CG1 3.82Å; V139-V159 WeakPolarHBondContact O-CG1 3.17Å; V140-V159 HydrophobicContact CG2-CG2 4.2Å; F157-V159 HydrophobicContact CB-CG2 4.31Å; V159-G188 CarbonylContact O-C 3.57Å; V159-G188 WeakPolarHBondContact O-CA 3.19Å; V159-V189 HydrophobicContact CB-CG2 3.93Å; V159-V189 PolarHBondContact N-O 3.27Å; V159-V189 PolarHBondContact O-N 3.11Å; V159-V191 HydrophobicContact CG2-CG2 4.25Å; V159-L196 HydrophobicContact CG2-CD1 4.48Å; V159-L196 HydrophobicContact CG2-CD2 4.09Å
160E94.1Very high82.2Confident19 Ų1952.8 Ų52.89%0.08926%0.261CS..EExtended strand (participates in β ladder)trans-93.5116.4167173.1171.4-138.400108.3G138 V139 R141 L162 F181 C183G138-E160 CarbonylContact C-O 3.46Å; G138-E160 VanDerWaalsContact CA-O 3.22Å; G138-E160 WeakPolarHBondContact CA-O 3.45Å; V139-E160 PolarHBondContact N-O 3.19Å; V139-E160 PolarHBondContact O-N 2.85Å; R141-E160 HydrophobicContact CG-CB 3.68Å; R141-E160 IonicContact CZ-OE2 3.4Å; R141-E160 IonicContact NE-OE2 3.35Å; R141-E160 PolarHBondContact NE-OE2 2.92Å; R141-E160 IonicContact NH2-OE2 2.69Å; R141-E160 PolarHBondContact NH2-OE2 2.93Å; E160-L162 HydrophobicContact CG-CD2 4.5Å; E160-F181 HydrophobicContact CB-CE2 4.38Å; E160-C183 HydrophobicContact CB-CB 3.95Å; E160-C183 VanDerWaalsContact CD-CB 3.48Å; E160-C183 HydrophobicContact CG-CB 3.57Å; E160-C183 WeakPolarHBondContact OE1-CA 3.49Å; E160-C183 WeakPolarHBondContact OE1-CB 3.23Å
161L91.9Very high83.1Confident0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-70.6138.9176.3-59176.1000110.2V127 L129 L136 P137 G165 Q168 C187 V189V127-L161 HydrophobicContact CB-CD2 4.03Å; V127-L161 HydrophobicContact CG1-CD2 4.41Å; V127-L161 HydrophobicContact CG2-CD2 3.92Å; L129-L161 HydrophobicContact CD1-CD1 3.99Å; L136-L161 HydrophobicContact CB-CD2 4.44Å; P137-L161 CarbonylContact O-C 3.57Å; P137-L161 WeakPolarHBondContact O-CA 3.3Å; L161-G165 WeakPolarHBondContact CB-O 3.26Å; L161-G165 VanDerWaalsContact CD1-O 3.3Å; L161-G165 WeakPolarHBondContact CD1-O 3.37Å; L161-Q168 HydrophobicContact CD1-CB 4.28Å; L161-C187 WeakPolarHBondContact CB-O 3.38Å; L161-C187 PolarHBondContact N-O 2.83Å; L161-V189 HydrophobicContact CD1-CG1 3.92Å; L161-V189 HydrophobicContact CD2-CG2 4.24Å; L161-V189 HydrophobicContact CG-CG1 4.34Å; L161-V189 HydrophobicContact CG-CG2 4.43Å
162L89.4Confident84.1Confident46 Ų4649 Ų4924%0.24124%0.242CC..  trans-109163179.5-60.9-172.5000111.1P137 V139 E160 E164 G165P137-L162 HydrophobicContact CB-CB 4.02Å; P137-L162 PolarHBondContact O-N 3.44Å; V139-L162 HydrophobicContact CG2-CD1 3.67Å; V139-L162 HydrophobicContact CG2-CG 4.32Å; E160-L162 HydrophobicContact CG-CD2 4.5Å; L162-E164 PolarHBondContact O-N 2.67Å; L162-E164 VanDerWaalsContact O-N 3.11Å; L162-G165 PolarHBondContact O-N 3Å
163E84.2Confident84.3Confident145 Ų14548.7 Ų48.768%0.67824%0.241SC*.G310 helixtrans47.2-112.7168.9-61.5178.2173.100113G165 R166E163-G165 PolarHBondContact O-N 2.95Å; E163-R166 WeakPolarHBondContact O-CB 3.2Å; E163-R166 WeakPolarHBondContact O-CG 3.17Å; E163-R166 PolarHBondContact O-N 2.83Å
164E79.6Confident84.3Confident159 Ų15948.7 Ų48.774%0.74324%0.241SC*.G310 helixtrans-67-21.4-177.1-54.3-170.3160.800113.6L162 Q168L162-E164 PolarHBondContact O-N 2.67Å; L162-E164 VanDerWaalsContact O-N 3.11Å; E164-Q168 PolarHBondContact O-NE2 3.03Å
165G76.6Confident83.9Confident0 Ų051.9 Ų51.90%025%0.251CS..G310 helixtrans-82.1-5.6175.200000115L161 L162 E163 G167 Q168L161-G165 WeakPolarHBondContact CB-O 3.26Å; L161-G165 VanDerWaalsContact CD1-O 3.3Å; L161-G165 WeakPolarHBondContact CD1-O 3.37Å; L162-G165 PolarHBondContact O-N 3Å; E163-G165 PolarHBondContact O-N 2.95Å; G165-G167 PolarHBondContact O-N 3.37Å; G165-Q168 WeakPolarHBondContact O-CB 3.23Å; G165-Q168 PolarHBondContact O-N 3.46Å; G165-Q168 VanDerWaalsContact O-N 3.1Å
166R80.5Confident83.2Confident110 Ų11057.8 Ų57.842%0.41528%0.278SS..THydrogen-bonded Turntrans-65.5130.5177.5-73172.9155.3-114.7-13.3110.9E163 Q168 E184E163-R166 WeakPolarHBondContact O-CB 3.2Å; E163-R166 WeakPolarHBondContact O-CG 3.17Å; E163-R166 PolarHBondContact O-N 2.83Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; R166-E184 IonicContact CZ-OE1 3.12Å; R166-E184 VanDerWaalsContact CZ-OE1 3.23Å; R166-E184 IonicContact CZ-OE2 3.44Å; R166-E184 IonicContact NH1-OE1 3.94Å; R166-E184 PolarHBondContact NH1-OE1 3.13Å; R166-E184 IonicContact NH1-OE2 3.62Å; R166-E184 PolarHBondContact NH1-OE2 3.44Å; R166-E184 IonicContact NH2-OE1 3.3Å; R166-E184 PolarHBondContact NH2-OE1 3.16Å; R166-E184 IonicContact NH2-OE2 3.33Å
167G75.3Confident82.2Confident44 Ų4458.3 Ų58.345%0.45431%0.305SS..THydrogen-bonded Turntrans81.62.4-173.500000114.8G165 E186 C187G165-G167 PolarHBondContact O-N 3.37Å; G167-E186 CarbonylContact C-O 3.57Å; G167-E186 WeakPolarHBondContact CA-O 3.05Å; G167-E186 PolarHBondContact N-O 3.21Å; G167-E186 VanDerWaalsContact N-O 3.11Å; G167-C187 PolarHBondContact N-SG 3.32Å
168Q79Confident81.4Confident99 Ų9966.3 Ų66.346%0.46334%0.336SS..  trans-100.7-5.7176.3-52.8-156.952.500113.7L129 L136 L161 E164 G165 R166 E186L129-Q168 HydrophobicContact CD1-CB 4.1Å; L136-Q168 HydrophobicContact CD1-CB 4.09Å; L136-Q168 HydrophobicContact CD1-CG 4.38Å; L161-Q168 HydrophobicContact CD1-CB 4.28Å; E164-Q168 PolarHBondContact O-NE2 3.03Å; G165-Q168 WeakPolarHBondContact O-CB 3.23Å; G165-Q168 PolarHBondContact O-N 3.46Å; G165-Q168 VanDerWaalsContact O-N 3.1Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; Q168-E186 PolarHBondContact N-O 3.28Å
169G75.3Confident81Confident9 Ų970 Ų709%0.09335%0.353CS..  trans-83.8174.4176.300000113.7E186 G188G169-E186 VanDerWaalsContact CA-O 3.29Å; G169-E186 WeakPolarHBondContact CA-O 3.45Å; G169-E186 PolarHBondContact N-O 3.15Å; G169-G188 CarbonylContact C-O 3.56Å; G169-G188 WeakPolarHBondContact CA-O 3.32Å
170F75.9Confident80.5Confident135 Ų13571.7 Ų71.759%0.59236%0.362SS*.SBendtrans-129.48.9-170.451.8-102.3000114.4G188 V189F170-G188 PolarHBondContact N-O 3.18Å; F170-V189 HydrophobicContact CD1-CB 4.31Å; F170-V189 HydrophobicContact CD1-CG1 3.73Å; F170-V189 HydrophobicContact CE1-CB 3.65Å; F170-V189 HydrophobicContact CE1-CG1 3.49Å; F170-V189 VanDerWaalsContact CE1-CG1 3.49Å; F170-V189 HydrophobicContact CE2-CB 4.43Å; F170-V189 HydrophobicContact CG-CG1 4.49Å; F170-V189 HydrophobicContact CZ-CB 3.73Å; F170-V189 HydrophobicContact CZ-CG1 4.08Å
171T78.8Confident80.3Confident17 Ų1771.5 Ų71.510%0.10436%0.361CS..BIsolated β-bridgetrans-150.6157.7174.1178.20000111.5G173 S174 G188 F190T171-G173 PolarHBondContact O-N 3.01Å; T171-G173 PolarHBondContact OG1-N 3.32Å; T171-S174 PolarHBondContact OG1-N 2.84Å; T171-S174 PolarHBondContact OG1-O 3.31Å; T171-G188 VanDerWaalsContact CG2-C 3.5Å; T171-G188 VanDerWaalsContact CG2-O 3.28Å; T171-G188 WeakPolarHBondContact CG2-O 3.36Å; T171-G188 PolarHBondContact N-O 2.72Å; T171-G188 CarbonylContact O-C 3.6Å; T171-G188 WeakPolarHBondContact O-CA 3.24Å; T171-G188 PolarHBondContact O-N 3.44Å; T171-F190 HydrophobicContact CG2-CD2 3.85Å; T171-F190 HydrophobicContact CG2-CE2 3.81Å
172E83.4Confident80Confident103 Ų10381.2 Ų81.248%0.48140%0.397SS..SBendtrans-81.16.8166.259.6175.4166.400112.8S174 Q179 R182 C183E172-S174 WeakPolarHBondContact CG-OG 3.41Å; E172-S174 PolarHBondContact OE1-OG 2.62Å; E172-S174 VanDerWaalsContact OE1-OG 3.05Å; E172-Q179 PolarHBondContact O-NE2 2.68Å; E172-R182 WeakPolarHBondContact O-CA 3.46Å; E172-C183 PolarHBondContact O-N 3.08Å; E172-C183 PolarHBondContact O-SG 2.89Å; E172-C183 VanDerWaalsContact O-SG 3.37Å
173G79.8Confident79.8Confident0 Ų080.1 Ų80.10%039%0.393CS..SBendtrans95.418.2-170.800000114.2T171 L180 F181T171-G173 PolarHBondContact O-N 3.01Å; T171-G173 PolarHBondContact OG1-N 3.32Å; G173-L180 PolarHBondContact O-N 3.08Å; G173-F181 CarbonylContact C-O 3.6Å; G173-F181 PolarHBondContact O-N 2.85Å; G173-F181 VanDerWaalsContact O-O 3.09Å
174S81.6Confident79.4Confident32 Ų3278.1 Ų78.122%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-105.4144174.263.60000112T171 E172 R178T171-S174 PolarHBondContact OG1-N 2.84Å; T171-S174 PolarHBondContact OG1-O 3.31Å; E172-S174 WeakPolarHBondContact CG-OG 3.41Å; E172-S174 PolarHBondContact OE1-OG 2.62Å; E172-S174 VanDerWaalsContact OE1-OG 3.05Å; S174-R178 WeakPolarHBondContact CA-O 3.39Å
175Y77Confident79Confident74 Ų7478.7 Ų78.729%0.2939%0.387SS..EExtended strand (participates in β ladder)trans-138.3130.3177.6-176.1-95.9000109.8L146 L147 G177 R178 F190L146-Y175 HydrophobicContact CB-CD1 3.99Å; L146-Y175 HydrophobicContact CB-CE1 3.68Å; L146-Y175 HydrophobicContact CD1-CD1 4.49Å; L146-Y175 HydrophobicContact CD1-CD2 4.03Å; L146-Y175 HydrophobicContact CD1-CE1 4.4Å; L146-Y175 HydrophobicContact CD1-CE2 3.93Å; L146-Y175 HydrophobicContact CD1-CG 4.32Å; L146-Y175 HydrophobicContact CD2-CD1 4.08Å; L146-Y175 HydrophobicContact CD2-CG 4.06Å; L146-Y175 HydrophobicContact CG-CD1 4.41Å; L146-Y175 HydrophobicContact CG-CE1 4.44Å; L147-Y175 HydrophobicContact CD2-CE1 4.49Å; Y175-G177 PolarHBondContact O-N 3.08Å; Y175-G177 VanDerWaalsContact O-N 3.08Å; Y175-R178 PolarHBondContact N-O 2.68Å; Y175-R178 WeakPolarHBondContact O-CB 3.43Å; Y175-R178 PolarHBondContact O-N 2.88Å; Y175-F190 HydrophobicContact CD2-CD2 4.4Å
176Q74.8Confident79Confident150 Ų15082.8 Ų82.870%0.70141%0.406SS*.THydrogen-bonded Turntrans47.236.4-176-65.8-179.49.100114.2R178Q176-R178 VanDerWaalsContact C-N 3.26Å; Q176-R178 PolarHBondContact O-N 2.67Å
177G69.9Low79.2Confident82 Ų8277.7 Ų77.785%0.84539%0.387SS*.THydrogen-bonded Turntrans76.52.9-178.400000115.4Y175Y175-G177 PolarHBondContact O-N 3.08Å; Y175-G177 VanDerWaalsContact O-N 3.08Å
178R76.7Confident79.7Confident169 Ų16975.6 Ų75.664%0.63837%0.366SS*.EExtended strand (participates in β ladder)trans-98.7124170.1178.6178.1175-171.8-3.1109.5S174 Y175 Q176 L180S174-R178 WeakPolarHBondContact CA-O 3.39Å; Y175-R178 PolarHBondContact N-O 2.68Å; Y175-R178 WeakPolarHBondContact O-CB 3.43Å; Y175-R178 PolarHBondContact O-N 2.88Å; Q176-R178 VanDerWaalsContact C-N 3.26Å; Q176-R178 PolarHBondContact O-N 2.67Å; R178-L180 HydrophobicContact CG-CD2 3.95Å; R178-L180 PolarHBondContact O-N 3.29Å
179Q84.4Confident80.2Confident76 Ų7670.9 Ų70.936%0.35534%0.344SS..EExtended strand (participates in β ladder)trans-68129.6167.1-152.978.836.800109.5E172 F181 R182E172-Q179 PolarHBondContact O-NE2 2.68Å; Q179-F181 VanDerWaalsContact CG-O 3.24Å; Q179-F181 WeakPolarHBondContact CG-O 3.35Å; Q179-F181 PolarHBondContact NE2-O 2.78Å; Q179-R182 HydrophobicContact CG-CG 4.14Å
180L83.1Confident81Confident37 Ų3771.3 Ų71.319%0.19434%0.343CS..  trans-113.1-41.3175.9-63.7178.1000111F142 L146 G173 R178 F190F142-L180 HydrophobicContact CD1-CD1 4.49Å; F142-L180 HydrophobicContact CD2-CB 3.87Å; F142-L180 HydrophobicContact CD2-CD1 4.45Å; F142-L180 HydrophobicContact CD2-CD2 4.46Å; F142-L180 HydrophobicContact CD2-CG 4.49Å; F142-L180 HydrophobicContact CE1-CD1 4.16Å; F142-L180 HydrophobicContact CE2-CB 4.2Å; F142-L180 HydrophobicContact CE2-CD1 4.12Å; F142-L180 HydrophobicContact CE2-CD2 3.98Å; F142-L180 HydrophobicContact CE2-CG 4.33Å; F142-L180 HydrophobicContact CG-CB 4.19Å; F142-L180 HydrophobicContact CZ-CD1 3.96Å; F142-L180 HydrophobicContact CZ-CD2 4.44Å; L146-L180 HydrophobicContact CD2-CD1 3.29Å; G173-L180 PolarHBondContact O-N 3.08Å; R178-L180 HydrophobicContact CG-CD2 3.95Å; R178-L180 PolarHBondContact O-N 3.29Å; L180-F190 HydrophobicContact CB-CE1 4.48Å; L180-F190 HydrophobicContact CB-CZ 4.16Å; L180-F190 HydrophobicContact CD1-CE1 3.86Å; L180-F190 HydrophobicContact CD1-CZ 3.77Å; L180-F190 HydrophobicContact CG-CZ 4.46Å
181F90.1Very high81.7Confident15 Ų1565.6 Ų65.67%0.06632%0.319CS..  trans-138.7-176.6166.666.7-83.4000110.8R141 F142 G158 E160 G173 Q179 C183 F190R141-F181 HydrophobicContact CB-CB 3.52Å; R141-F181 HydrophobicContact CB-CD1 4.24Å; R141-F181 HydrophobicContact CB-CD2 3.44Å; R141-F181 VanDerWaalsContact CB-CD2 3.44Å; R141-F181 HydrophobicContact CB-CE2 4.12Å; R141-F181 HydrophobicContact CB-CG 3.5Å; R141-F181 VanDerWaalsContact CB-CG 3.5Å; R141-F181 HydrophobicContact CG-CD2 3.79Å; R141-F181 HydrophobicContact CG-CE2 4.26Å; R141-F181 HydrophobicContact CG-CG 4.36Å; F142-F181 HydrophobicContact CB-CD1 3.9Å; G158-F181 VanDerWaalsContact CA-CE1 3.46Å; E160-F181 HydrophobicContact CB-CE2 4.38Å; G173-F181 CarbonylContact C-O 3.6Å; G173-F181 PolarHBondContact O-N 2.85Å; G173-F181 VanDerWaalsContact O-O 3.09Å; Q179-F181 VanDerWaalsContact CG-O 3.24Å; Q179-F181 WeakPolarHBondContact CG-O 3.35Å; Q179-F181 PolarHBondContact NE2-O 2.78Å; F181-C183 HydrophobicContact CD2-CB 4.42Å; F181-C183 HydrophobicContact CE2-CB 4.15Å; F181-F190 HydrophobicContact CD1-CE1 4.2Å; F181-F190 HydrophobicContact CD1-CZ 4.01Å; F181-F190 HydrophobicContact CE1-CD1 4.46Å; F181-F190 AromaticContact CE1-CE1 3.75Å; F181-F190 HydrophobicContact CE1-CE1 3.75Å; F181-F190 HydrophobicContact CE1-CE2 4.17Å; F181-F190 AromaticContact CE1-CZ 3.58Å; F181-F190 HydrophobicContact CE1-CZ 3.58Å
182R84.6Confident82.3Confident203 Ų20365.1 Ų65.177%0.76632%0.317SS*.  trans-132.8143.5171.6-72.9-178.6177.8154.9-2.1109.8E172 Q179E172-R182 WeakPolarHBondContact O-CA 3.46Å; Q179-R182 HydrophobicContact CG-CG 4.14Å
183C85.4Confident82.6Confident24 Ų2460.2 Ų60.216%0.16229%0.294CS..  trans-150.1-177.2174.7530000108.6E160 E172 F181 C187 G188E160-C183 HydrophobicContact CB-CB 3.95Å; E160-C183 VanDerWaalsContact CD-CB 3.48Å; E160-C183 HydrophobicContact CG-CB 3.57Å; E160-C183 WeakPolarHBondContact OE1-CA 3.49Å; E160-C183 WeakPolarHBondContact OE1-CB 3.23Å; E172-C183 PolarHBondContact O-N 3.08Å; E172-C183 PolarHBondContact O-SG 2.89Å; E172-C183 VanDerWaalsContact O-SG 3.37Å; F181-C183 HydrophobicContact CD2-CB 4.42Å; F181-C183 HydrophobicContact CE2-CB 4.15Å; C183-C187 HydrophobicContact CB-CB 4.5Å; C183-G188 WeakPolarHBondContact SG-CA 3.42Å; C183-G188 PolarHBondContact SG-N 2.74Å; C183-G188 VanDerWaalsContact SG-N 3.38Å
184E76.2Confident83Confident102 Ų10261.2 Ų61.248%0.47730%0.299SS..SBendtrans-69.8161.9169.2-72170.5-132.500111.8R166 C187R166-E184 IonicContact CZ-OE1 3.12Å; R166-E184 VanDerWaalsContact CZ-OE1 3.23Å; R166-E184 IonicContact CZ-OE2 3.44Å; R166-E184 IonicContact NH1-OE1 3.94Å; R166-E184 PolarHBondContact NH1-OE1 3.13Å; R166-E184 IonicContact NH1-OE2 3.62Å; R166-E184 PolarHBondContact NH1-OE2 3.44Å; R166-E184 IonicContact NH2-OE1 3.3Å; R166-E184 PolarHBondContact NH2-OE1 3.16Å; R166-E184 IonicContact NH2-OE2 3.33Å; E184-C187 HydrophobicContact CB-CB 4.21Å; E184-C187 WeakPolarHBondContact O-CB 3.28Å; E184-C187 PolarHBondContact O-N 2.85Å
185E71.3Confident83.5Confident172 Ų17262 Ų6280%0.80430%0.299SS*.THydrogen-bonded Turntrans-61.9142.7179.5-168.6170.9-163.800110.6C187E185-C187 PolarHBondContact O-N 3.17Å; E185-C187 PolarHBondContact O-SG 3.39Å
186E76.9Confident84.1Confident85 Ų8558.5 Ų58.540%0.39729%0.285SS..THydrogen-bonded Turntrans52.126.2-174-64.5178151.400113.7G167 Q168 G169 Q889G167-E186 CarbonylContact C-O 3.57Å; G167-E186 WeakPolarHBondContact CA-O 3.05Å; G167-E186 PolarHBondContact N-O 3.21Å; G167-E186 VanDerWaalsContact N-O 3.11Å; Q168-E186 PolarHBondContact N-O 3.28Å; G169-E186 VanDerWaalsContact CA-O 3.29Å; G169-E186 WeakPolarHBondContact CA-O 3.45Å; G169-E186 PolarHBondContact N-O 3.15Å; E186-Q889 PolarHBondContact OE1-NE2 3.47Å; E186-Q889 PolarHBondContact OE2-NE2 2.89Å
187C83.3Confident84.8Confident4 Ų455.5 Ų55.53%0.02727%0.271CS..  trans-114.4-10.3177.7-61.40000114.8L161 G167 C183 E184 E185L161-C187 WeakPolarHBondContact CB-O 3.38Å; L161-C187 PolarHBondContact N-O 2.83Å; G167-C187 PolarHBondContact N-SG 3.32Å; C183-C187 HydrophobicContact CB-CB 4.5Å; E184-C187 HydrophobicContact CB-CB 4.21Å; E184-C187 WeakPolarHBondContact O-CB 3.28Å; E184-C187 PolarHBondContact O-N 2.85Å; E185-C187 PolarHBondContact O-N 3.17Å; E185-C187 PolarHBondContact O-SG 3.39Å
188G85.5Confident85.7Confident0 Ų054.2 Ų54.20%025%0.245CC..EExtended strand (participates in β ladder)trans-97.9145.7177.900000113.2V159 G169 F170 T171 C183V159-G188 CarbonylContact O-C 3.57Å; V159-G188 WeakPolarHBondContact O-CA 3.19Å; G169-G188 CarbonylContact C-O 3.56Å; G169-G188 WeakPolarHBondContact CA-O 3.32Å; F170-G188 PolarHBondContact N-O 3.18Å; T171-G188 VanDerWaalsContact CG2-C 3.5Å; T171-G188 VanDerWaalsContact CG2-O 3.28Å; T171-G188 WeakPolarHBondContact CG2-O 3.36Å; T171-G188 PolarHBondContact N-O 2.72Å; T171-G188 CarbonylContact O-C 3.6Å; T171-G188 WeakPolarHBondContact O-CA 3.24Å; T171-G188 PolarHBondContact O-N 3.44Å; C183-G188 WeakPolarHBondContact SG-CA 3.42Å; C183-G188 PolarHBondContact SG-N 2.74Å; C183-G188 VanDerWaalsContact SG-N 3.38Å
189V90.6Very high86.1Confident0 Ų050.2 Ų50.20%023%0.23CC..EExtended strand (participates in β ladder)trans-135.3156172.2-61.80000111V127 L129 G158 V159 L161 F170 V191V127-V189 HydrophobicContact CG1-CG2 4.26Å; L129-V189 HydrophobicContact CD2-CB 4.49Å; L129-V189 HydrophobicContact CD2-CG1 3.96Å; L129-V189 HydrophobicContact CD2-CG2 4.41Å; G158-V189 CarbonylContact C-O 3.51Å; G158-V189 VanDerWaalsContact CA-O 3.3Å; G158-V189 WeakPolarHBondContact CA-O 3.47Å; V159-V189 HydrophobicContact CB-CG2 3.93Å; V159-V189 PolarHBondContact N-O 3.27Å; V159-V189 PolarHBondContact O-N 3.11Å; L161-V189 HydrophobicContact CD1-CG1 3.92Å; L161-V189 HydrophobicContact CD2-CG2 4.24Å; L161-V189 HydrophobicContact CG-CG1 4.34Å; L161-V189 HydrophobicContact CG-CG2 4.43Å; F170-V189 HydrophobicContact CD1-CB 4.31Å; F170-V189 HydrophobicContact CD1-CG1 3.73Å; F170-V189 HydrophobicContact CE1-CB 3.65Å; F170-V189 HydrophobicContact CE1-CG1 3.49Å; F170-V189 VanDerWaalsContact CE1-CG1 3.49Å; F170-V189 HydrophobicContact CE2-CB 4.43Å; F170-V189 HydrophobicContact CG-CG1 4.49Å; F170-V189 HydrophobicContact CZ-CB 3.73Å; F170-V189 HydrophobicContact CZ-CG1 4.08Å; V189-V191 HydrophobicContact CB-CG1 4.47Å; V189-V191 HydrophobicContact CG2-CG1 4.21Å
190F91.1Very high85.6Confident17 Ų1753.6 Ų53.68%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-117.8121165.6-72.2-78.7000109.2F142 L146 F157 T171 Y175 L180 F181F142-F190 HydrophobicContact CD1-CD1 4.32Å; F142-F190 AromaticContact CD1-CE1 3.81Å; F142-F190 HydrophobicContact CD1-CE1 3.81Å; F142-F190 HydrophobicContact CE1-CE1 4.33Å; F142-F190 HydrophobicContact CG-CE1 4.37Å; L146-F190 HydrophobicContact CD1-CB 4.26Å; L146-F190 HydrophobicContact CD1-CD1 4.12Å; L146-F190 HydrophobicContact CD1-CG 4.21Å; L146-F190 HydrophobicContact CD2-CD1 4.03Å; L146-F190 HydrophobicContact CD2-CE1 3.92Å; F157-F190 CarbonylContact O-C 3.56Å; F157-F190 WeakPolarHBondContact O-CA 3.33Å; T171-F190 HydrophobicContact CG2-CD2 3.85Å; T171-F190 HydrophobicContact CG2-CE2 3.81Å; Y175-F190 HydrophobicContact CD2-CD2 4.4Å; L180-F190 HydrophobicContact CB-CE1 4.48Å; L180-F190 HydrophobicContact CB-CZ 4.16Å; L180-F190 HydrophobicContact CD1-CE1 3.86Å; L180-F190 HydrophobicContact CD1-CZ 3.77Å; L180-F190 HydrophobicContact CG-CZ 4.46Å; F181-F190 HydrophobicContact CD1-CE1 4.2Å; F181-F190 HydrophobicContact CD1-CZ 4.01Å; F181-F190 HydrophobicContact CE1-CD1 4.46Å; F181-F190 AromaticContact CE1-CE1 3.75Å; F181-F190 HydrophobicContact CE1-CE1 3.75Å; F181-F190 HydrophobicContact CE1-CE2 4.17Å; F181-F190 AromaticContact CE1-CZ 3.58Å; F181-F190 HydrophobicContact CE1-CZ 3.58Å
191V91.8Very high84.5Confident15 Ų1555.7 Ų55.79%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-130.3161.7-176.3-62.70000112V127 F157 V159 V189 K195 L196V127-V191 HydrophobicContact CG1-CG1 4.23Å; V127-V191 HydrophobicContact CG1-CG2 4.42Å; F157-V191 HydrophobicContact CB-CG2 4.33Å; F157-V191 PolarHBondContact N-O 2.83Å; F157-V191 PolarHBondContact O-N 3.31Å; V159-V191 HydrophobicContact CG2-CG2 4.25Å; V189-V191 HydrophobicContact CB-CG1 4.47Å; V189-V191 HydrophobicContact CG2-CG1 4.21Å; V191-K195 HydrophobicContact CB-CB 4.28Å; V191-L196 HydrophobicContact CG2-CD1 4.09Å; V191-L196 HydrophobicContact CG2-CD2 3.72Å; V191-L196 HydrophobicContact CG2-CG 3.8Å
192A91.3Very high82.8Confident8 Ų864.6 Ų64.67%0.06630%0.298CS..  trans-89.3170.116900000110.6P96 I97 W156 D194 K195P96-A192 HydrophobicContact CB-CB 3.68Å; I97-A192 HydrophobicContact CG1-CB 4.34Å; W156-A192 HydrophobicContact CZ3-CB 4.42Å; A192-D194 VanDerWaalsContact C-N 3.3Å; A192-D194 WeakPolarHBondContact CB-OD1 3.45Å; A192-D194 PolarHBondContact O-N 2.97Å; A192-K195 PolarHBondContact O-N 3.46Å
193L89.9Confident80.9Confident0 Ų062.6 Ų62.60%030%0.303CS..G310 helixtrans-64.6-31.4-167.6-165.170000114L93 I97 L106 V116 F157 K195 L196L93-L193 HydrophobicContact CB-CD2 4.04Å; L93-L193 HydrophobicContact CD2-CD1 4.23Å; L93-L193 HydrophobicContact CD2-CD2 4.31Å; I97-L193 HydrophobicContact CD1-CB 4.42Å; L106-L193 HydrophobicContact CD2-CD2 4.19Å; L106-L193 HydrophobicContact CD2-CG 4.4Å; V116-L193 HydrophobicContact CG1-CD1 3.35Å; V116-L193 HydrophobicContact CG1-CD2 3.83Å; V116-L193 HydrophobicContact CG1-CG 3.36Å; F157-L193 HydrophobicContact CD2-CD1 4.36Å; F157-L193 HydrophobicContact CE1-CD1 4.41Å; F157-L193 HydrophobicContact CE2-CB 4.45Å; F157-L193 HydrophobicContact CE2-CD1 3.52Å; F157-L193 HydrophobicContact CZ-CD1 3.54Å; L193-K195 PolarHBondContact O-N 2.88Å; L193-L196 PolarHBondContact O-N 2.89Å
194D88.4Confident78.9Confident21 Ų2168.6 Ų68.611%0.11233%0.333CS..G310 helixtrans-63-17.3178.856-60000114.9I97 R112 A192I97-D194 HydrophobicContact CD1-CB 4.08Å; I97-D194 HydrophobicContact CG1-CB 4.2Å; I97-D194 WeakPolarHBondContact CG1-OD1 3.49Å; I97-D194 HydrophobicContact CG2-CB 3.89Å; R112-D194 PolarHBondContact NH2-O 2.97Å; A192-D194 VanDerWaalsContact C-N 3.3Å; A192-D194 WeakPolarHBondContact CB-OD1 3.45Å; A192-D194 PolarHBondContact O-N 2.97Å
195K90.6Very high77.5Confident48 Ų4873.1 Ų73.121%0.20936%0.355CS..G310 helixtrans-104.411.7-179.6-59.3-67.7167.1-82.20113.1E102 V127 Q128 V191 A192 L193E102-K195 IonicContact OE2-NZ 2.62Å; E102-K195 PolarHBondContact OE2-NZ 2.98Å; V127-K195 WeakPolarHBondContact CA-O 3.34Å; Q128-K195 HydrophobicContact CB-CB 4.34Å; Q128-K195 HydrophobicContact CB-CD 3.91Å; Q128-K195 HydrophobicContact CG-CD 4.25Å; Q128-K195 PolarHBondContact N-O 3.38Å; Q128-K195 WeakPolarHBondContact O-CD 3.13Å; V191-K195 HydrophobicContact CB-CB 4.28Å; A192-K195 PolarHBondContact O-N 3.46Å; L193-K195 PolarHBondContact O-N 2.88Å
196L90.8Very high75.9Confident0 Ų068.1 Ų68.10%035%0.349CS..EExtended strand (participates in β ladder)trans-122.7143.4179.3-64.9-177.1000112.9I119 V125 V127 F157 V159 V191 L193I119-L196 HydrophobicContact CD1-CB 3.86Å; I119-L196 HydrophobicContact CD1-CD1 4.46Å; I119-L196 HydrophobicContact CG2-CD1 4.4Å; V125-L196 HydrophobicContact CB-CD2 4.3Å; V125-L196 HydrophobicContact CG2-CD2 4.1Å; V127-L196 HydrophobicContact CB-CD2 4.34Å; V127-L196 HydrophobicContact CG1-CD2 4.1Å; V127-L196 HydrophobicContact CG2-CD2 3.88Å; F157-L196 HydrophobicContact CB-CD1 3.51Å; F157-L196 HydrophobicContact CD1-CD1 3.8Å; F157-L196 HydrophobicContact CD2-CD1 4.15Å; F157-L196 HydrophobicContact CG-CD1 3.55Å; V159-L196 HydrophobicContact CG2-CD1 4.48Å; V159-L196 HydrophobicContact CG2-CD2 4.09Å; V191-L196 HydrophobicContact CG2-CD1 4.09Å; V191-L196 HydrophobicContact CG2-CD2 3.72Å; V191-L196 HydrophobicContact CG2-CG 3.8Å; L193-L196 PolarHBondContact O-N 2.89Å
197E89.5Confident74Confident88 Ų8872.5 Ų72.541%0.41137%0.374SS..EExtended strand (participates in β ladder)trans-135.8142.9171.2-62.3176.9166.300108.1V125 R126V125-E197 CarbonylContact C-O 3.57Å; V125-E197 WeakPolarHBondContact CA-O 3.46Å; V125-E197 VanDerWaalsContact CB-O 3.28Å; V125-E197 WeakPolarHBondContact CB-O 3.2Å; R126-E197 HydrophobicContact CB-CB 4.47Å; R126-E197 PolarHBondContact N-O 3.25Å; R126-E197 PolarHBondContact O-N 3.4Å
198L88.9Confident71.5Confident55 Ų5576 Ų7629%0.28841%0.41SS..EExtended strand (participates in β ladder)trans-67142.2173.1-85.3176.9000110.3R115 I119R115-L198 WeakPolarHBondContact O-CD1 3.32Å; I119-L198 HydrophobicContact CD1-CG 4.4Å; I119-L198 HydrophobicContact CG1-CD2 3.7Å; I119-L198 HydrophobicContact CG1-CG 3.73Å
199W84.4Confident69.3Low85 Ų8582.3 Ų82.332%0.32245%0.451SS..  trans-112107168.7-174.9-24.5000108.3K124 R126 P137K124-W199 HydrophobicContact CB-CB 4.07Å; K124-W199 WeakPolarHBondContact CB-O 3.49Å; K124-W199 PolarHBondContact O-N 2.88Å; K124-W199 VanDerWaalsContact O-N 3.1Å; R126-W199 HydrophobicContact CG-CB 4.48Å; R126-W199 HydrophobicContact CG-CD2 4.27Å; R126-W199 HydrophobicContact CG-CE3 3.58Å; R126-W199 HydrophobicContact CG-CZ3 4.18Å; P137-W199 HydrophobicContact CB-CH2 4.32Å; P137-W199 HydrophobicContact CB-CZ3 3.66Å; P137-W199 HydrophobicContact CG-CH2 4.2Å; P137-W199 HydrophobicContact CG-CZ3 3.8Å
200E75.1Confident67Low146 Ų14690.4 Ų90.468%0.68249%0.494SS*.  trans-87.1130.8171.3-65.9171.6-175.500109.3
201D58.9Low64.2Low81 Ų8199 Ų9943%0.43353%0.534SS..  trans-81130.4172.7-60.3-55.1000108.9K124 D203K124-D201 IonicContact NZ-OD1 2.74Å; K124-D201 PolarHBondContact NZ-OD1 3.36Å; K124-D201 IonicContact NZ-OD2 3.6Å; K124-D201 PolarHBondContact NZ-OD2 3.44Å; D201-D203 PolarHBondContact O-N 2.95Å
202E53.8Low61.2Low202 Ų202106.4 Ų106.494%0.94457%0.568SS**THydrogen-bonded Turntrans-67.87.7179.8-60-174.4134.400114.4
203D46.1Very low58.3Low161 Ų161112.5 Ų112.586%0.86160%0.599SS**THydrogen-bonded Turntrans-97.3-6.5-170.3-85.5-42.2000115.3D201D201-D203 PolarHBondContact O-N 2.95Å
204D43.7Very low55.4Low150 Ų150122 Ų12280%0.80264%0.644SS**  trans-110.259.5-174.1-159.330.2000114.7G206D204-G206 PolarHBondContact O-N 3.41Å
205E45.4Very low52.7Low198 Ų198126.6 Ų126.693%0.92567%0.673SS**  trans-68.297.2170.4-89.8-133.1132.700112.4
206G37.4Very low49.6Very low66 Ų66136.1 Ų136.168%0.6871%0.707SS**  trans-10632.2-166.900000119.3D204D204-G206 PolarHBondContact O-N 3.41Å
207L37.7Very low47Very low178 Ų178143.2 Ų143.293%0.93274%0.744SS**  trans69.264.1163.8-64.1169.7000120.5
208G30Very low44.1Very low76 Ų76148.5 Ų148.578%0.78477%0.769SS**  trans77.9-174.3137.900000119.6
209P39.9Very low41.4Very low133 Ų133153.4 Ų153.486%0.86480%0.796SS**  cis-108.2172.79.841.2-33.9000115.7
210L41.7Very low38.9Very low170 Ų170157.1 Ų157.189%0.8982%0.822SS**  trans-77.4142.5175.9-61.1160.4000112.8
211E33.1Very low36.8Very low197 Ų197157.5 Ų157.592%0.92182%0.823SS**  trans-157.5173.8140.1-121.2169-13900111.1
212E28.9Very low35.5Very low171 Ų171162 Ų16280%0.79985%0.848SS**  trans-109.1148.9-146.1-57.1-177.1138.700117.5
213N31Very low34.9Very low136 Ų136157.9 Ų157.973%0.72782%0.824SS**  trans49.7111.7145.6-69-49.3000120.5
214Q28Very low34.8Very low200 Ų200154.1 Ų154.194%0.93582%0.815SS**  -163.4146.2104.9-109.1170.941.500114.1
215V32.4Very low35.1Very low118 Ų118152.8 Ų152.872%0.71582%0.815SS**  trans-84.7138.1-176.2176.20000111.9L217V215-L217 HydrophobicContact CG1-CG 4.06Å
216R25.3Very low35.9Very low248 Ų248144.6 Ų144.694%0.93678%0.777SS**  trans-132.6146.5143.6-72-167172.9178.8-2109.7
217L35.4Very low37.6Very low149 Ų149148.5 Ų148.578%0.7878%0.778SS**  trans-118.5136.5178.7-69.7163.5000107.6V215V215-L217 HydrophobicContact CG1-CG 4.06Å
218E29.3Very low39.5Very low198 Ų198144.5 Ų144.593%0.92576%0.757SS**  trans174.573.1169.8-100.6157.6-13300102.9
219D32.6Very low41.5Very low159 Ų159147 Ų14785%0.8575%0.752SS**  817966.9-162.236.5000112.5
220D31.8Very low43.5Very low163 Ų163142.3 Ų142.387%0.87272%0.722SS**  trans-154.3123.6156.7-122.6-24.5000107.6
221Q30.8Very low45.5Very low153 Ų153138 Ų13872%0.71569%0.694SS**  trans-140.3118.5171.9-78.8-166.7-6.800109.5Y223Q221-Y223 VanDerWaalsContact O-CD2 3.3Å; Q221-Y223 WeakPolarHBondContact O-CD2 3.46Å; Q221-Y223 PolarHBondContact O-N 2.91Å; Q221-Y223 VanDerWaalsContact O-N 3.16Å
222D32.2Very low48.1Very low176 Ų176128.6 Ų128.694%0.94165%0.65SS**  trans-62.5113.4177-80.5-59.7000111.8
223Y39.3Very low50.9Low115 Ų115121.7 Ų121.745%0.45162%0.619SS.*  trans-85.5115.7169.6-79.3-90.4000110.2Q221 G294Q221-Y223 VanDerWaalsContact O-CD2 3.3Å; Q221-Y223 WeakPolarHBondContact O-CD2 3.46Å; Q221-Y223 PolarHBondContact O-N 2.91Å; Q221-Y223 VanDerWaalsContact O-N 3.16Å; Y223-G294 WeakPolarHBondContact OH-CA 3.22Å
224A44.6Very low53.3Low82 Ų82115.9 Ų115.968%0.67859%0.588SS**  trans-58.6137168.700000110.5L226A224-L226 PolarHBondContact O-N 3.32Å
225P51Low55.4Low122 Ų122112.6 Ų112.679%0.79257%0.568SS**  trans-68121.1-170.325.7-34.4000112.4E227P225-E227 PolarHBondContact O-N 3.4Å
226L61.4Low57.3Low26 Ų26114.6 Ų114.614%0.13657%0.569CS.*  trans-79.1112172.4-71.8172.3000110.3A224 V232 V259 I293 V296 P298A224-L226 PolarHBondContact O-N 3.32Å; L226-V232 HydrophobicContact CD2-CG1 4.19Å; L226-V259 HydrophobicContact CD1-CG2 4.41Å; L226-I293 HydrophobicContact CD1-CG1 4.05Å; L226-V296 HydrophobicContact CD1-CB 3.95Å; L226-V296 HydrophobicContact CD1-CG1 3.68Å; L226-P298 HydrophobicContact CD2-CG 4Å
227E74.1Confident59.3Low149 Ų149107 Ų10770%0.69654%0.544SS*.  trans-73.6147.2176.5-61.9-167.9155.100112.1P225 S230P225-E227 PolarHBondContact O-N 3.4Å; E227-S230 PolarHBondContact N-OG 2.91Å; E227-S230 WeakPolarHBondContact O-CB 3.34Å; E227-S230 PolarHBondContact O-N 3.43Å; E227-S230 PolarHBondContact O-OG 3.4Å
228I76.1Confident61.2Low94 Ų94105.3 Ų105.348%0.48254%0.542SS..THydrogen-bonded Turntrans-64138.2172.4-56.3176.9000108.9
229N72.9Confident63.7Low127 Ų12799 Ų9968%0.67951%0.513SS*.THydrogen-bonded Turntrans76.65.4-165.5-45.2-91.1000115.5V243N229-V243 WeakPolarHBondContact CA-O 3.41Å; N229-V243 PolarHBondContact N-O 3.43Å
230S80.8Confident66.3Low35 Ų3597.4 Ų97.425%0.24550%0.495CS..  trans-63.4143.5170-65.60000111.7E227 T242 V243E227-S230 PolarHBondContact N-OG 2.91Å; E227-S230 WeakPolarHBondContact O-CB 3.34Å; E227-S230 PolarHBondContact O-N 3.43Å; E227-S230 PolarHBondContact O-OG 3.4Å; S230-T242 WeakPolarHBondContact O-CA 3.31Å; S230-V243 PolarHBondContact O-N 3.46Å
231R85.2Confident68.8Low80 Ų8089.6 Ų89.630%0.30245%0.453SS..EExtended strand (participates in β ladder)trans-86.9126.6173-78.9-63.1-60.3-177.7-6.1111.2G241 T242 D264 E299R231-G241 PolarHBondContact NH1-O 3.41Å; R231-T242 PolarHBondContact NH1-OG1 2.95Å; R231-T242 VanDerWaalsContact NH1-OG1 3.13Å; R231-D264 IonicContact CZ-OD1 2.65Å; R231-D264 IonicContact CZ-OD2 3.13Å; R231-D264 IonicContact NH1-OD1 3.82Å; R231-D264 PolarHBondContact NH1-OD1 3.29Å; R231-D264 IonicContact NH1-OD2 2.76Å; R231-D264 PolarHBondContact NH1-OD2 2.77Å; R231-D264 IonicContact NH2-OD1 3.86Å; R231-D264 IonicContact NH2-OD2 3.44Å; R231-D264 PolarHBondContact NH2-OD2 3.43Å; R231-E299 HydrophobicContact CB-CB 4.03Å; R231-E299 VanDerWaalsContact CB-OE2 3.31Å; R231-E299 WeakPolarHBondContact CB-OE2 3.47Å; R231-E299 IonicContact CZ-OE2 2.69Å; R231-E299 IonicContact NE-OE2 2.84Å; R231-E299 PolarHBondContact NE-OE2 2.81Å; R231-E299 IonicContact NH2-OE1 2.75Å; R231-E299 IonicContact NH2-OE2 2.72Å; R231-E299 PolarHBondContact NH2-OE2 3.1Å; R231-E299 PolarHBondContact O-N 3.3Å
232V86.6Confident71.4Confident0 Ų084 Ų840%043%0.43CS..EExtended strand (participates in β ladder)trans-139.3162.2-169.1-64.50000112.5L226 G241 V243 V261 V296 M297L226-V232 HydrophobicContact CD2-CG1 4.19Å; V232-G241 PolarHBondContact N-O 3.15Å; V232-G241 PolarHBondContact O-N 2.93Å; V232-V243 HydrophobicContact CB-CG2 4.5Å; V232-V243 HydrophobicContact CG1-CG2 3.74Å; V232-V243 HydrophobicContact CG2-CG2 3.9Å; V232-V261 HydrophobicContact CG2-CG1 3.63Å; V232-V261 HydrophobicContact CG2-CG2 4.04Å; V232-V296 HydrophobicContact CB-CG1 3.5Å; V232-V296 HydrophobicContact CG1-CG1 3.54Å; V232-V296 HydrophobicContact CG2-CG1 3.79Å; V232-M297 CarbonylContact C-O 3.43Å; V232-M297 WeakPolarHBondContact CA-O 3.13Å; V232-M297 WeakPolarHBondContact CB-O 3.41Å
233V87.2Confident74Confident25 Ų2575.7 Ų75.715%0.15239%0.385CS..EExtended strand (participates in β ladder)trans-128.3137.4175-1660000107.5E239 R240 M297 E299V233-E239 WeakPolarHBondContact CA-O 3.42Å; V233-E239 WeakPolarHBondContact CG1-O 3.47Å; V233-R240 HydrophobicContact CG2-CG 4.3Å; V233-M297 PolarHBondContact N-O 3.35Å; V233-M297 PolarHBondContact O-N 2.92Å; V233-E299 HydrophobicContact CG2-CB 4.33Å; V233-E299 HydrophobicContact CG2-CG 4.37Å
234L82.3Confident75.9Confident14 Ų1471.9 Ų71.97%0.07337%0.372CS..EExtended strand (participates in β ladder)trans-76.3149.5174.8-58-179.1000110.7E237 E239 V261 M263 V291 D295 V296L234-E237 CarbonylContact C-O 3.32Å; L234-E237 WeakPolarHBondContact CB-O 3.47Å; L234-E239 PolarHBondContact N-O 3.46Å; L234-E239 VanDerWaalsContact N-O 3.16Å; L234-V261 HydrophobicContact CD2-CG2 4.31Å; L234-M263 HydrophobicContact CD1-CE 3.65Å; L234-M263 HydrophobicContact CD1-SD 3.98Å; L234-M263 HydrophobicContact CG-CE 3.93Å; L234-M263 HydrophobicContact CG-SD 4.32Å; L234-V291 HydrophobicContact CD1-CG1 4.47Å; L234-V291 HydrophobicContact CD2-CG1 4.28Å; L234-V291 HydrophobicContact CD2-CG2 3.81Å; L234-D295 CarbonylContact C-O 3.44Å; L234-D295 WeakPolarHBondContact CA-O 3.32Å; L234-V296 HydrophobicContact CD2-CG2 4.14Å
235R73Confident77.7Confident132 Ų13268.9 Ų68.950%0.49834%0.344SS..SBendtrans-78.7-39.9-178.9-76.9-171.3171.1164.1-7.5113.5G294 D295 M297R235-G294 VanDerWaalsContact CD-O 3.3Å; R235-G294 WeakPolarHBondContact CD-O 3.2Å; R235-G294 PolarHBondContact NH1-O 2.97Å; R235-D295 PolarHBondContact N-O 2.63Å; R235-M297 HydrophobicContact CG-CG 3.83Å; R235-M297 HydrophobicContact CG-SD 3.89Å; R235-M297 VanDerWaalsContact NE-CG 3.35Å; R235-M297 PolarHBondContact NE-SD 2.97Å
236E70.9Confident79.1Confident159 Ų15964.9 Ų64.974%0.74332%0.318SS*.SBendtrans-72.6-38.1-178.5-62.5-159.4121.800112.8
237E67.1Low79.8Confident90 Ų9067.8 Ų67.842%0.42133%0.334SS..SBendtrans-130.7124.3178.3-61.6-177.5114.800107.5L234 E239 R289L234-E237 CarbonylContact C-O 3.32Å; L234-E237 WeakPolarHBondContact CB-O 3.47Å; E237-E239 HydrophobicContact CB-CG 4.49Å; E237-E239 PolarHBondContact O-N 2.87Å; E237-R289 IonicContact OE2-CZ 3.37Å; E237-R289 IonicContact OE2-NH1 3.56Å; E237-R289 PolarHBondContact OE2-NH1 3.26Å; E237-R289 IonicContact OE2-NH2 3.69Å; E237-R289 PolarHBondContact OE2-NH2 3.25Å; E237-R289 VanDerWaalsContact OE2-NH2 3.08Å
238P76.5Confident79.8Confident113 Ų11363.6 Ų63.673%0.73432%0.316SS*.  trans-76.536.1-170.833.4-38.2000113.7
239E81Confident79.7Confident66 Ų6660 Ų6031%0.30830%0.297SS..  trans-82.4148.5177.4-71.9-69.7164.100110.4V233 L234 E237 M263 N265 I267V233-E239 WeakPolarHBondContact CA-O 3.42Å; V233-E239 WeakPolarHBondContact CG1-O 3.47Å; L234-E239 PolarHBondContact N-O 3.46Å; L234-E239 VanDerWaalsContact N-O 3.16Å; E237-E239 HydrophobicContact CB-CG 4.49Å; E237-E239 PolarHBondContact O-N 2.87Å; E239-M263 HydrophobicContact CB-CE 3.6Å; E239-N265 PolarHBondContact OE2-ND2 2.85Å; E239-I267 HydrophobicContact CB-CD1 3.59Å; E239-I267 HydrophobicContact CG-CD1 3.52Å
240R86.9Confident79.4Confident124 Ų12456.3 Ų56.347%0.46828%0.28SS..EExtended strand (participates in β ladder)trans-108.2149.1-167.2-62.8-178.9174.3-146.5-7.1111V233 D264 E299V233-R240 HydrophobicContact CG2-CG 4.3Å; R240-D264 VanDerWaalsContact CB-OD2 3.27Å; R240-D264 WeakPolarHBondContact CB-OD2 3.31Å; R240-D264 PolarHBondContact O-N 3.4Å; R240-E299 WeakPolarHBondContact CD-OE1 3.24Å; R240-E299 IonicContact CZ-OE1 3.7Å; R240-E299 VanDerWaalsContact CZ-OE1 3.28Å; R240-E299 IonicContact NE-OE1 3.39Å; R240-E299 IonicContact NH1-OE1 3.23Å; R240-E299 PolarHBondContact NH1-OE1 2.79Å
241G85.7Confident78.5Confident0 Ų058 Ų580%030%0.303CS..EExtended strand (participates in β ladder)trans-166.8-171.2177.400000113.5R231 V232 D262R231-G241 PolarHBondContact NH1-O 3.41Å; V232-G241 PolarHBondContact N-O 3.15Å; V232-G241 PolarHBondContact O-N 2.93Å; G241-D262 CarbonylContact C-O 3.52Å; G241-D262 WeakPolarHBondContact CA-O 3.45Å
242T85.1Confident77.2Confident36 Ų3657.7 Ų57.722%0.22131%0.308CS..EExtended strand (participates in β ladder)trans-129.8130.2-173.8-45.70000109.2S230 R231 I244 V261 D262S230-T242 WeakPolarHBondContact O-CA 3.31Å; R231-T242 PolarHBondContact NH1-OG1 2.95Å; R231-T242 VanDerWaalsContact NH1-OG1 3.13Å; T242-I244 PolarHBondContact O-N 2.93Å; T242-V261 WeakPolarHBondContact O-CA 3.44Å; T242-D262 PolarHBondContact N-O 2.94Å; T242-D262 PolarHBondContact O-N 3.01Å
243V87.5Confident76Confident0 Ų064.9 Ų64.90%034%0.341CS..EExtended strand (participates in β ladder)trans-66.6119.7179.4177.70000109.8N229 S230 V232 C246 V259N229-V243 WeakPolarHBondContact CA-O 3.41Å; N229-V243 PolarHBondContact N-O 3.43Å; S230-V243 PolarHBondContact O-N 3.46Å; V232-V243 HydrophobicContact CB-CG2 4.5Å; V232-V243 HydrophobicContact CG1-CG2 3.74Å; V232-V243 HydrophobicContact CG2-CG2 3.9Å; V243-C246 HydrophobicContact CG1-CB 4.35Å; V243-V259 HydrophobicContact CB-CG1 4.32Å; V243-V259 HydrophobicContact CG1-CG1 3.75Å; V243-V259 HydrophobicContact CG2-CG1 3.81Å
244I77.9Confident74.4Confident35 Ų3568.9 Ų68.918%0.17937%0.371CS..EExtended strand (participates in β ladder)trans-113.3-12.5174.668165000113.5T242 G260 D262 F282 A283 T288T242-I244 PolarHBondContact O-N 2.93Å; I244-G260 PolarHBondContact N-O 3.39Å; I244-D262 HydrophobicContact CD1-CB 4.25Å; I244-D262 HydrophobicContact CG1-CB 4.46Å; I244-D262 HydrophobicContact CG2-CB 3.81Å; I244-F282 HydrophobicContact CD1-CB 4.32Å; I244-A283 HydrophobicContact CD1-CB 4.15Å; I244-T288 HydrophobicContact CD1-CG2 3.62Å; I244-T288 HydrophobicContact CG1-CG2 4.09Å
245F81.9Confident73.2Confident20 Ų2072.6 Ų72.69%0.08839%0.39CS..EExtended strand (participates in β ladder)trans-148.8142.2177.4174.9-93.8000109.7D247 L249 V259 G260 W270 V279 C280 L290F245-D247 HydrophobicContact CE1-CB 4.12Å; F245-D247 HydrophobicContact CE2-CB 4Å; F245-D247 HydrophobicContact CZ-CB 3.57Å; F245-L249 HydrophobicContact CE1-CD2 3.99Å; F245-L249 HydrophobicContact CZ-CD2 4.37Å; F245-V259 CarbonylContact O-C 3.48Å; F245-V259 WeakPolarHBondContact O-CA 3.18Å; F245-G260 PolarHBondContact N-O 2.75Å; F245-G260 VanDerWaalsContact N-O 3.16Å; F245-G260 PolarHBondContact O-N 3.36Å; F245-W270 HydrophobicContact CB-CH2 4.16Å; F245-W270 HydrophobicContact CB-CZ3 4.26Å; F245-W270 AromaticContact CD1-CH2 3.92Å; F245-W270 HydrophobicContact CD1-CH2 3.92Å; F245-W270 HydrophobicContact CD2-CH2 4.47Å; F245-W270 HydrophobicContact CE1-CH2 4.46Å; F245-W270 AromaticContact CG-CH2 3.94Å; F245-W270 HydrophobicContact CG-CH2 3.94Å; F245-W270 HydrophobicContact CG-CZ3 4.5Å; F245-V279 HydrophobicContact CE2-CB 4.03Å; F245-V279 HydrophobicContact CE2-CG2 4.06Å; F245-V279 HydrophobicContact CZ-CB 4.42Å; F245-V279 HydrophobicContact CZ-CG2 4.17Å; F245-C280 HydrophobicContact CB-CB 4.34Å; F245-C280 HydrophobicContact CD2-CB 4.35Å; F245-L290 HydrophobicContact CD1-CD1 4.13Å; F245-L290 HydrophobicContact CE1-CD1 4.34Å
246C81.4Confident72.8Confident37 Ų3767.8 Ų67.825%0.2538%0.382CS..EExtended strand (participates in β ladder)trans-156105.6172.1-178.10000109.1V243 Y258V243-C246 HydrophobicContact CG1-CB 4.35Å; C246-Y258 WeakPolarHBondContact CA-O 3.49Å
247D75.2Confident73.1Confident88 Ų8866 Ų6647%0.47137%0.369SS..EExtended strand (participates in β ladder)trans-160.5174-178-151.2-15.7000111.3F245 Y258F245-D247 HydrophobicContact CE1-CB 4.12Å; F245-D247 HydrophobicContact CE2-CB 4Å; F245-D247 HydrophobicContact CZ-CB 3.57Å; D247-Y258 PolarHBondContact N-O 3.44Å; D247-Y258 VanDerWaalsContact N-O 3.13Å; D247-Y258 PolarHBondContact O-N 3.26Å
248L75.4Confident73.9Confident61 Ų6163.8 Ų63.832%0.31936%0.357SS..EExtended strand (participates in β ladder)trans-77.4138.6168.2-63.7175.6000110.5G256 Y257L248-G256 VanDerWaalsContact CD2-C 3.49Å; L248-G256 WeakPolarHBondContact CD2-O 3.39Å; L248-Y257 HydrophobicContact CD2-CD1 3.95Å; L248-Y257 HydrophobicContact CD2-CD2 4.01Å; L248-Y257 HydrophobicContact CD2-CE1 4.05Å; L248-Y257 HydrophobicContact CD2-CE2 4.1Å; L248-Y257 HydrophobicContact CD2-CG 3.93Å; L248-Y257 HydrophobicContact CG-CD1 4.08Å; L248-Y257 HydrophobicContact CG-CE1 3.84Å
249L73.8Confident74.3Confident17 Ų1758.4 Ų58.49%0.08932%0.322CS..PPolyproline II helixtrans-81.9131.9-177.6-56.9-166.8000112F245 G251 N252 Y258 I274 L290F245-L249 HydrophobicContact CE1-CD2 3.99Å; F245-L249 HydrophobicContact CZ-CD2 4.37Å; L249-G251 PolarHBondContact O-N 2.88Å; L249-N252 HydrophobicContact CB-CB 4.48Å; L249-N252 PolarHBondContact O-N 2.95Å; L249-Y258 HydrophobicContact CD1-CD1 3.83Å; L249-Y258 HydrophobicContact CD1-CD2 3.64Å; L249-Y258 HydrophobicContact CD1-CE1 4.2Å; L249-Y258 HydrophobicContact CD1-CE2 4.02Å; L249-Y258 HydrophobicContact CD1-CG 3.53Å; L249-Y258 HydrophobicContact CD2-CD2 4.45Å; L249-Y258 HydrophobicContact CD2-CG 4.2Å; L249-Y258 HydrophobicContact CG-CD2 3.58Å; L249-Y258 HydrophobicContact CG-CE2 4.28Å; L249-Y258 HydrophobicContact CG-CG 3.71Å; L249-I274 HydrophobicContact CD1-CD1 4.16Å; L249-I274 HydrophobicContact CD2-CD1 3.45Å; L249-I274 VanDerWaalsContact CD2-CD1 3.45Å; L249-I274 HydrophobicContact CG-CD1 4.28Å; L249-L290 HydrophobicContact CD1-CD2 4.08Å
250P65.6Low74.6Confident50 Ų5055.3 Ų55.333%0.32531%0.308SS..THydrogen-bonded Turntrans-53.1130.8176.4-26.734.7000112.1N252P250-N252 VanDerWaalsContact C-N 3.26Å; P250-N252 PolarHBondContact O-N 2.83Å
251G61.9Low74.7Confident71 Ų7149.4 Ų49.473%0.73229%0.286SS*.THydrogen-bonded Turntrans80-5.2179.400000115.6L249L249-G251 PolarHBondContact O-N 2.88Å
252N57.7Low74.7Confident73 Ų7352.2 Ų52.239%0.3930%0.3SS..  trans-13332.4-174.4-125.2-11.9000113.2L249 P250 S254 L255L249-N252 HydrophobicContact CB-CB 4.48Å; L249-N252 PolarHBondContact O-N 2.95Å; P250-N252 VanDerWaalsContact C-N 3.26Å; P250-N252 PolarHBondContact O-N 2.83Å; N252-S254 PolarHBondContact O-N 2.92Å; N252-L255 HydrophobicContact CB-CD1 4.48Å; N252-L255 WeakPolarHBondContact ND2-CD1 3.33Å; N252-L255 PolarHBondContact O-N 3.13Å; N252-L255 WeakPolarHBondContact OD1-CD1 3.31Å
253E62.2Low74.9Confident151 Ų15150.8 Ų50.871%0.70629%0.291SS*.G310 helixtrans-53.9-22.6-176.2-64.2170-170.200114.2L255E253-L255 VanDerWaalsContact C-N 3.34Å
254S54Low75Confident110 Ų11054.9 Ų54.977%0.76931%0.313SS*.G310 helixtrans-82.61.1176.859.40000115.4N252N252-S254 PolarHBondContact O-N 2.92Å
255L56.4Low75.2Confident91 Ų9156.7 Ų56.748%0.47632%0.323SS..G310 helixtrans-104.96.5177.3-60.8-172.7000113.7N252 E253 Y258N252-L255 HydrophobicContact CB-CD1 4.48Å; N252-L255 WeakPolarHBondContact ND2-CD1 3.33Å; N252-L255 PolarHBondContact O-N 3.13Å; N252-L255 WeakPolarHBondContact OD1-CD1 3.31Å; E253-L255 VanDerWaalsContact C-N 3.34Å; L255-Y258 HydrophobicContact CB-CE2 4.04Å
256G65.6Low75.2Confident32 Ų3260 Ų6033%0.3335%0.347SS..  trans77.7-167.5177.500000114.6L248L248-G256 VanDerWaalsContact CD2-C 3.49Å; L248-G256 WeakPolarHBondContact CD2-O 3.39Å
257Y76.5Confident75.2Confident121 Ų12161 Ų6148%0.47535%0.349SS..EExtended strand (participates in β ladder)trans-78.2139.6-176.2-72.2-88.2000112.2L248 I293L248-Y257 HydrophobicContact CD2-CD1 3.95Å; L248-Y257 HydrophobicContact CD2-CD2 4.01Å; L248-Y257 HydrophobicContact CD2-CE1 4.05Å; L248-Y257 HydrophobicContact CD2-CE2 4.1Å; L248-Y257 HydrophobicContact CD2-CG 3.93Å; L248-Y257 HydrophobicContact CG-CD1 4.08Å; L248-Y257 HydrophobicContact CG-CE1 3.84Å; Y257-I293 WeakPolarHBondContact O-CB 3.07Å; Y257-I293 PolarHBondContact O-N 3.21Å
258Y83.5Confident75.5Confident44 Ų4457.6 Ų57.617%0.17334%0.335CS..EExtended strand (participates in β ladder)trans-116.7141.6173.5-78.9-105.2000110.7C246 D247 L249 L255 L290 V291 P292C246-Y258 WeakPolarHBondContact CA-O 3.49Å; D247-Y258 PolarHBondContact N-O 3.44Å; D247-Y258 VanDerWaalsContact N-O 3.13Å; D247-Y258 PolarHBondContact O-N 3.26Å; L249-Y258 HydrophobicContact CD1-CD1 3.83Å; L249-Y258 HydrophobicContact CD1-CD2 3.64Å; L249-Y258 HydrophobicContact CD1-CE1 4.2Å; L249-Y258 HydrophobicContact CD1-CE2 4.02Å; L249-Y258 HydrophobicContact CD1-CG 3.53Å; L249-Y258 HydrophobicContact CD2-CD2 4.45Å; L249-Y258 HydrophobicContact CD2-CG 4.2Å; L249-Y258 HydrophobicContact CG-CD2 3.58Å; L249-Y258 HydrophobicContact CG-CE2 4.28Å; L249-Y258 HydrophobicContact CG-CG 3.71Å; L255-Y258 HydrophobicContact CB-CE2 4.04Å; Y258-L290 HydrophobicContact CD1-CG 4.32Å; Y258-V291 CarbonylContact C-O 3.6Å; Y258-V291 WeakPolarHBondContact CA-O 3.43Å; Y258-P292 HydrophobicContact CD1-CG 4.49Å; Y258-P292 HydrophobicContact CE1-CG 3.93Å
259V85.8Confident75.9Confident0 Ų059.3 Ų59.30%035%0.345CS..EExtended strand (participates in β ladder)trans-114.6122.5-176.3-172.70000108.4L226 V243 F245 V261 V291 I293 V296L226-V259 HydrophobicContact CD1-CG2 4.41Å; V243-V259 HydrophobicContact CB-CG1 4.32Å; V243-V259 HydrophobicContact CG1-CG1 3.75Å; V243-V259 HydrophobicContact CG2-CG1 3.81Å; F245-V259 CarbonylContact O-C 3.48Å; F245-V259 WeakPolarHBondContact O-CA 3.18Å; V259-V261 HydrophobicContact CB-CG2 4.48Å; V259-V261 HydrophobicContact CG1-CG2 3.76Å; V259-V291 HydrophobicContact CB-CG2 4.46Å; V259-V291 PolarHBondContact N-O 3.07Å; V259-V291 WeakPolarHBondContact O-CG2 3.37Å; V259-V291 PolarHBondContact O-N 2.98Å; V259-I293 HydrophobicContact CG2-CB 3.92Å; V259-I293 HydrophobicContact CG2-CG1 3.87Å; V259-V296 HydrophobicContact CB-CG2 4Å; V259-V296 HydrophobicContact CG1-CG2 4.28Å; V259-V296 HydrophobicContact CG2-CG2 4.22Å
260G86.7Confident76.7Confident0 Ų059.3 Ų59.30%034%0.344CS..EExtended strand (participates in β ladder)trans-89.2116.5168.200000109I244 F245I244-G260 PolarHBondContact N-O 3.39Å; F245-G260 PolarHBondContact N-O 2.75Å; F245-G260 VanDerWaalsContact N-O 3.16Å; F245-G260 PolarHBondContact O-N 3.36Å
261V88.7Confident77.5Confident1 Ų160 Ų601%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-112124.9-177.4-173.30000109V232 L234 T242 V259 M263 T288 R289 V291 V296V232-V261 HydrophobicContact CG2-CG1 3.63Å; V232-V261 HydrophobicContact CG2-CG2 4.04Å; L234-V261 HydrophobicContact CD2-CG2 4.31Å; T242-V261 WeakPolarHBondContact O-CA 3.44Å; V259-V261 HydrophobicContact CB-CG2 4.48Å; V259-V261 HydrophobicContact CG1-CG2 3.76Å; V261-M263 HydrophobicContact CB-SD 3.96Å; V261-M263 HydrophobicContact CG1-SD 3.52Å; V261-M263 VanDerWaalsContact CG1-SD 3.52Å; V261-T288 CarbonylContact O-C 3.49Å; V261-T288 VanDerWaalsContact O-CA 3.31Å; V261-T288 WeakPolarHBondContact O-CA 3.29Å; V261-T288 WeakPolarHBondContact O-CG2 3.14Å; V261-R289 PolarHBondContact N-O 3.33Å; V261-R289 PolarHBondContact O-N 2.64Å; V261-V291 HydrophobicContact CG2-CG2 4.34Å; V261-V296 HydrophobicContact CG2-CG2 4.4Å
262D86.9Confident78.4Confident58 Ų5856.6 Ų56.631%0.3131%0.31SS..EExtended strand (participates in β ladder)trans-83.8115169.8-164.145.4000109.1G241 T242 I244 T288G241-D262 CarbonylContact C-O 3.52Å; G241-D262 WeakPolarHBondContact CA-O 3.45Å; T242-D262 PolarHBondContact N-O 2.94Å; T242-D262 PolarHBondContact O-N 3.01Å; I244-D262 HydrophobicContact CD1-CB 4.25Å; I244-D262 HydrophobicContact CG1-CB 4.46Å; I244-D262 HydrophobicContact CG2-CB 3.81Å; D262-T288 PolarHBondContact OD1-OG1 2.81Å
263M89.1Confident79.6Confident6 Ų657.3 Ų57.33%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-88.2143.1-169.1-55.2-59.6-67.500111.6L234 E239 V261 N265 I267 H287 R289L234-M263 HydrophobicContact CD1-CE 3.65Å; L234-M263 HydrophobicContact CD1-SD 3.98Å; L234-M263 HydrophobicContact CG-CE 3.93Å; L234-M263 HydrophobicContact CG-SD 4.32Å; E239-M263 HydrophobicContact CB-CE 3.6Å; V261-M263 HydrophobicContact CB-SD 3.96Å; V261-M263 HydrophobicContact CG1-SD 3.52Å; V261-M263 VanDerWaalsContact CG1-SD 3.52Å; M263-N265 WeakPolarHBondContact CB-O 3.46Å; M263-N265 PolarHBondContact O-N 2.73Å; M263-N265 VanDerWaalsContact O-N 3.11Å; M263-I267 HydrophobicContact CB-CG1 3.99Å; M263-I267 HydrophobicContact CE-CD1 4.05Å; M263-I267 HydrophobicContact CG-CG1 4.1Å; M263-H287 WeakPolarHBondContact CB-O 3.25Å; M263-H287 VanDerWaalsContact CG-O 3.28Å; M263-H287 WeakPolarHBondContact CG-O 3.49Å; M263-H287 PolarHBondContact N-O 2.85Å; M263-R289 HydrophobicContact CG-CB 4.37Å
264D88Confident80.5Confident86 Ų8651.3 Ų51.346%0.4628%0.284SS..SBendtrans-63.8-16.4177.4-66.9-13.5000112.6R231 R240R231-D264 IonicContact CZ-OD1 2.65Å; R231-D264 IonicContact CZ-OD2 3.13Å; R231-D264 IonicContact NH1-OD1 3.82Å; R231-D264 PolarHBondContact NH1-OD1 3.29Å; R231-D264 IonicContact NH1-OD2 2.76Å; R231-D264 PolarHBondContact NH1-OD2 2.77Å; R231-D264 IonicContact NH2-OD1 3.86Å; R231-D264 IonicContact NH2-OD2 3.44Å; R231-D264 PolarHBondContact NH2-OD2 3.43Å; R240-D264 VanDerWaalsContact CB-OD2 3.27Å; R240-D264 WeakPolarHBondContact CB-OD2 3.31Å; R240-D264 PolarHBondContact O-N 3.4Å
265N83.8Confident81.5Confident74 Ų7454.4 Ų54.440%0.39629%0.286SS..SBendtrans-121.3152.8179.1-77.5-50.8000110.9E239 M263 I267E239-N265 PolarHBondContact OE2-ND2 2.85Å; M263-N265 WeakPolarHBondContact CB-O 3.46Å; M263-N265 PolarHBondContact O-N 2.73Å; M263-N265 VanDerWaalsContact O-N 3.11Å; N265-I267 HydrophobicContact CB-CG1 4.46Å; N265-I267 HydrophobicContact CB-CG2 4.39Å; N265-I267 PolarHBondContact O-N 2.93Å
266P81Confident82.2Confident88 Ų8853.4 Ų53.457%0.57130%0.298SS*.SBendtrans-75.873.617931.8-36.3000111.8E286P266-E286 CarbonylContact C-O 3.32Å; P266-E286 WeakPolarHBondContact CA-O 3.33Å
267I80.8Confident82.6Confident58 Ų5858.2 Ų58.230%0.29731%0.31SS..  trans-129.922-179.462.9173.3000112E239 M263 N265 E286E239-I267 HydrophobicContact CB-CD1 3.59Å; E239-I267 HydrophobicContact CG-CD1 3.52Å; M263-I267 HydrophobicContact CB-CG1 3.99Å; M263-I267 HydrophobicContact CE-CD1 4.05Å; M263-I267 HydrophobicContact CG-CG1 4.1Å; N265-I267 HydrophobicContact CB-CG1 4.46Å; N265-I267 HydrophobicContact CB-CG2 4.39Å; N265-I267 PolarHBondContact O-N 2.93Å; I267-E286 PolarHBondContact N-O 3.09Å
268G81.9Confident82.6Confident18 Ų1856.9 Ų56.919%0.18631%0.31CS..  trans-72.8162.7174.700000113.1L285 E286 T288G268-L285 CarbonylContact C-O 3.28Å; G268-L285 VanDerWaalsContact C-O 3.28Å; G268-L285 VanDerWaalsContact O-O 3.14Å; G268-E286 PolarHBondContact N-O 3.48Å; G268-T288 CarbonylContact C-O 3.09Å; G268-T288 WeakPolarHBondContact CA-O 3.38Å
269D84.7Confident82.5Confident97 Ų9756.7 Ų56.752%0.51931%0.314SS..  trans-140.7-0.2175.656.816.8000113.1T288 R289D269-T288 PolarHBondContact N-O 3.26Å; D269-R289 WeakPolarHBondContact OD1-CG 3.19Å; D269-R289 IonicContact OD2-NE 2.74Å
270W90Very high82.2Confident17 Ų1757 Ų576%0.06432%0.316CS..  trans-124.7127.9-169.7-174.655.1000113.1F245 G272 M273 I274 V279 C280 A283 S284 L285 T288 L290F245-W270 HydrophobicContact CB-CH2 4.16Å; F245-W270 HydrophobicContact CB-CZ3 4.26Å; F245-W270 AromaticContact CD1-CH2 3.92Å; F245-W270 HydrophobicContact CD1-CH2 3.92Å; F245-W270 HydrophobicContact CD2-CH2 4.47Å; F245-W270 HydrophobicContact CE1-CH2 4.46Å; F245-W270 AromaticContact CG-CH2 3.94Å; F245-W270 HydrophobicContact CG-CH2 3.94Å; F245-W270 HydrophobicContact CG-CZ3 4.5Å; W270-G272 VanDerWaalsContact CE2-CA 3.45Å; W270-M273 PolarHBondContact NE1-O 3.35Å; W270-I274 HydrophobicContact CZ2-CD1 3.92Å; W270-I274 HydrophobicContact CZ2-CG1 4.01Å; W270-V279 HydrophobicContact CH2-CG2 4.08Å; W270-V279 HydrophobicContact CZ2-CG2 3.6Å; W270-C280 HydrophobicContact CH2-CB 3.79Å; W270-C280 HydrophobicContact CZ3-CB 4.11Å; W270-A283 HydrophobicContact CE3-CB 4.13Å; W270-A283 HydrophobicContact CZ3-CB 4.22Å; W270-S284 CarbonylContact O-C 3.48Å; W270-L285 WeakPolarHBondContact O-CA 3.39Å; W270-L285 PolarHBondContact O-N 2.68Å; W270-T288 HydrophobicContact CE3-CG2 3.79Å; W270-T288 HydrophobicContact CZ3-CG2 4.24Å; W270-T288 PolarHBondContact N-O 3.19Å; W270-L290 HydrophobicContact CB-CB 4.19Å; W270-L290 HydrophobicContact CD2-CB 3.81Å; W270-L290 HydrophobicContact CD2-CD1 4.4Å; W270-L290 HydrophobicContact CD2-CD2 4.32Å; W270-L290 HydrophobicContact CD2-CG 4.41Å; W270-L290 HydrophobicContact CE3-CB 4.09Å; W270-L290 HydrophobicContact CE3-CD1 4.3Å; W270-L290 HydrophobicContact CG-CB 3.87Å; W270-L290 HydrophobicContact CH2-CD1 4.04Å; W270-L290 HydrophobicContact CZ2-CD1 4.14Å; W270-L290 HydrophobicContact CZ2-CD2 4.19Å; W270-L290 HydrophobicContact CZ3-CD1 4.14Å
271D82.6Confident81.5Confident64 Ų6462.8 Ų62.834%0.34235%0.347SS..  trans-93.910.5-179.665.7-6.5000114.3M273 L285D271-M273 VanDerWaalsContact C-N 3.28Å; D271-M273 PolarHBondContact O-N 3.15Å; D271-M273 VanDerWaalsContact OD1-CB 3.31Å; D271-M273 WeakPolarHBondContact OD1-CB 3.3Å; D271-M273 PolarHBondContact OD1-N 3.02Å; D271-L285 HydrophobicContact CB-CB 4.06Å; D271-L285 HydrophobicContact CB-CD1 3.92Å
272G81.3Confident80.8Confident0 Ų070.3 Ų70.30%038%0.38CS..SBendtrans80.23.9-175.900000114.6W270 V279 C280 A283W270-G272 VanDerWaalsContact CE2-CA 3.45Å; G272-V279 VanDerWaalsContact O-CG2 3.32Å; G272-V279 WeakPolarHBondContact O-CG2 3.3Å; G272-V279 PolarHBondContact O-N 3.36Å; G272-C280 WeakPolarHBondContact CA-O 3.18Å; G272-C280 PolarHBondContact O-N 2.84Å; G272-C280 VanDerWaalsContact O-N 3.16Å; G272-A283 VanDerWaalsContact CA-CB 3.5Å
273M81.8Confident80.4Confident88 Ų8868.4 Ų68.443%0.43337%0.372SS..EExtended strand (participates in β ladder)trans-99.3144.5174.4-52.8-159.3-160.700112.1W270 D271 K277 L278W270-M273 PolarHBondContact NE1-O 3.35Å; D271-M273 VanDerWaalsContact C-N 3.28Å; D271-M273 PolarHBondContact O-N 3.15Å; D271-M273 VanDerWaalsContact OD1-CB 3.31Å; D271-M273 WeakPolarHBondContact OD1-CB 3.3Å; D271-M273 PolarHBondContact OD1-N 3.02Å; M273-K277 WeakPolarHBondContact CA-O 3.27Å; M273-L278 HydrophobicContact CE-CD1 4.49Å; M273-L278 HydrophobicContact CG-CD1 3.98Å
274I80.6Confident79.9Confident24 Ų2470.4 Ų70.412%0.12339%0.387CS..EExtended strand (participates in β ladder)trans-136.9126.4173.6-60.1-176.8000107.5L249 W270 G276 K277 V279 L290L249-I274 HydrophobicContact CD1-CD1 4.16Å; L249-I274 HydrophobicContact CD2-CD1 3.45Å; L249-I274 VanDerWaalsContact CD2-CD1 3.45Å; L249-I274 HydrophobicContact CG-CD1 4.28Å; W270-I274 HydrophobicContact CZ2-CD1 3.92Å; W270-I274 HydrophobicContact CZ2-CG1 4.01Å; I274-G276 PolarHBondContact O-N 2.93Å; I274-K277 PolarHBondContact N-O 2.87Å; I274-K277 WeakPolarHBondContact O-CB 3.23Å; I274-K277 PolarHBondContact O-N 3.37Å; I274-V279 HydrophobicContact CB-CG2 4.45Å; I274-V279 HydrophobicContact CD1-CG2 3.8Å; I274-V279 HydrophobicContact CG1-CG2 3.88Å; I274-L290 HydrophobicContact CD1-CD2 3.74Å; I274-L290 HydrophobicContact CG1-CD2 4.36Å
275E76.3Confident79.6Confident175 Ų17571.2 Ų71.282%0.81839%0.39SS*.THydrogen-bonded Turntrans49.928-172.2-56.7-158.213500114.9K277E275-K277 VanDerWaalsContact C-N 3.32Å
276G70.6Confident79.5Confident70 Ų7074 Ų7472%0.72240%0.401SS*.THydrogen-bonded Turntrans79.77.9-176.700000115I274I274-G276 PolarHBondContact O-N 2.93Å
277K73.5Confident79.5Confident133 Ų13372.9 Ų72.958%0.57839%0.388SS*.EExtended strand (participates in β ladder)trans-100.7127.7169-176.9-169.3174.3-163.30109.1M273 I274 E275 V279M273-K277 WeakPolarHBondContact CA-O 3.27Å; I274-K277 PolarHBondContact N-O 2.87Å; I274-K277 WeakPolarHBondContact O-CB 3.23Å; I274-K277 PolarHBondContact O-N 3.37Å; E275-K277 VanDerWaalsContact C-N 3.32Å; K277-V279 HydrophobicContact CD-CG1 4.45Å; K277-V279 PolarHBondContact O-N 3.04Å
278L77Confident79.8Confident93 Ų9370.1 Ų70.149%0.48737%0.374SS..EExtended strand (participates in β ladder)trans-68.3128.9170.9-17170.2000109.7M273 C280 D281M273-L278 HydrophobicContact CE-CD1 4.49Å; M273-L278 HydrophobicContact CG-CD1 3.98Å; L278-C280 WeakPolarHBondContact CD1-O 3.06Å; L278-D281 HydrophobicContact CD2-CB 4.1Å
279V80.8Confident80Confident41 Ų4171.5 Ų71.525%0.24837%0.374CS..  trans-124.5-20.1177.3-60.80000113.4F245 W270 G272 I274 K277F245-V279 HydrophobicContact CE2-CB 4.03Å; F245-V279 HydrophobicContact CE2-CG2 4.06Å; F245-V279 HydrophobicContact CZ-CB 4.42Å; F245-V279 HydrophobicContact CZ-CG2 4.17Å; W270-V279 HydrophobicContact CH2-CG2 4.08Å; W270-V279 HydrophobicContact CZ2-CG2 3.6Å; G272-V279 VanDerWaalsContact O-CG2 3.32Å; G272-V279 WeakPolarHBondContact O-CG2 3.3Å; G272-V279 PolarHBondContact O-N 3.36Å; I274-V279 HydrophobicContact CB-CG2 4.45Å; I274-V279 HydrophobicContact CD1-CG2 3.8Å; I274-V279 HydrophobicContact CG1-CG2 3.88Å; K277-V279 HydrophobicContact CD-CG1 4.45Å; K277-V279 PolarHBondContact O-N 3.04Å
280C79.4Confident80.2Confident6 Ų668.8 Ų68.84%0.04136%0.359CS..  trans-134.5120.4168-173.30000109.4F245 W270 G272 L278 A283F245-C280 HydrophobicContact CB-CB 4.34Å; F245-C280 HydrophobicContact CD2-CB 4.35Å; W270-C280 HydrophobicContact CH2-CB 3.79Å; W270-C280 HydrophobicContact CZ3-CB 4.11Å; G272-C280 WeakPolarHBondContact CA-O 3.18Å; G272-C280 PolarHBondContact O-N 2.84Å; G272-C280 VanDerWaalsContact O-N 3.16Å; L278-C280 WeakPolarHBondContact CD1-O 3.06Å; C280-A283 HydrophobicContact CB-CB 4.22Å
281D73.4Confident79.9Confident121 Ų12168.7 Ų68.765%0.64736%0.36SS*.SBendtrans-88.2-3.7-179.259.4-41.4000114L278L278-D281 HydrophobicContact CD2-CB 4.1Å
282F73.1Confident79.9Confident159 Ų15967.9 Ų67.970%0.69736%0.358SS*.SBendtrans-99.5-11.1176.7-58.9-78.7000113.9I244I244-F282 HydrophobicContact CD1-CB 4.32Å
283A78.6Confident79.8Confident19 Ų1969.2 Ų69.216%0.15737%0.365CS..  trans-70.3149.1-176.400000112.7I244 W270 G272 C280 T288I244-A283 HydrophobicContact CD1-CB 4.15Å; W270-A283 HydrophobicContact CE3-CB 4.13Å; W270-A283 HydrophobicContact CZ3-CB 4.22Å; G272-A283 VanDerWaalsContact CA-CB 3.5Å; C280-A283 HydrophobicContact CB-CB 4.22Å; A283-T288 WeakPolarHBondContact CA-OG1 3.5Å; A283-T288 HydrophobicContact CB-CG2 3.95Å
284S79.6Confident79.5Confident48 Ų4865.6 Ų65.634%0.33635%0.351SS..  trans-133.6121.4-178.2176.90000109.9W270 E286 H287 T288W270-S284 CarbonylContact O-C 3.48Å; S284-E286 PolarHBondContact O-N 2.65Å; S284-H287 PolarHBondContact O-N 3.2Å; S284-T288 PolarHBondContact N-OG1 3.33Å; S284-T288 PolarHBondContact O-N 3.44Å; S284-T288 PolarHBondContact O-OG1 3.36Å
285L81.5Confident79.5Confident102 Ų10267 Ų6753%0.53436%0.358SS..THydrogen-bonded Turntrans-58.8-14.5-176.6-167.1135.2000114.4G268 W270 D271G268-L285 CarbonylContact C-O 3.28Å; G268-L285 VanDerWaalsContact C-O 3.28Å; G268-L285 VanDerWaalsContact O-O 3.14Å; W270-L285 WeakPolarHBondContact O-CA 3.39Å; W270-L285 PolarHBondContact O-N 2.68Å; D271-L285 HydrophobicContact CB-CB 4.06Å; D271-L285 HydrophobicContact CB-CD1 3.92Å
286E80.4Confident79.7Confident134 Ų13459 Ų5963%0.62632%0.321SS*.THydrogen-bonded Turntrans-92.6-20.3175.1-63.5-176.7166.700113.8P266 I267 G268 S284P266-E286 CarbonylContact C-O 3.32Å; P266-E286 WeakPolarHBondContact CA-O 3.33Å; I267-E286 PolarHBondContact N-O 3.09Å; G268-E286 PolarHBondContact N-O 3.48Å; S284-E286 PolarHBondContact O-N 2.65Å
287H82.3Confident80Confident63 Ų6358 Ų5829%0.29230%0.299SS..THydrogen-bonded Turntrans-129.5-27.2-170.5-68.674.5000114.5M263 S284M263-H287 WeakPolarHBondContact CB-O 3.25Å; M263-H287 VanDerWaalsContact CG-O 3.28Å; M263-H287 WeakPolarHBondContact CG-O 3.49Å; M263-H287 PolarHBondContact N-O 2.85Å; S284-H287 PolarHBondContact O-N 3.2Å
288T86.6Confident80.2Confident0 Ų053.1 Ų53.10%028%0.28CS..EExtended strand (participates in β ladder)trans-95.4137.5-178.1-42.60000111.1I244 V261 D262 G268 D269 W270 A283 S284I244-T288 HydrophobicContact CD1-CG2 3.62Å; I244-T288 HydrophobicContact CG1-CG2 4.09Å; V261-T288 CarbonylContact O-C 3.49Å; V261-T288 VanDerWaalsContact O-CA 3.31Å; V261-T288 WeakPolarHBondContact O-CA 3.29Å; V261-T288 WeakPolarHBondContact O-CG2 3.14Å; D262-T288 PolarHBondContact OD1-OG1 2.81Å; G268-T288 CarbonylContact C-O 3.09Å; G268-T288 WeakPolarHBondContact CA-O 3.38Å; D269-T288 PolarHBondContact N-O 3.26Å; W270-T288 HydrophobicContact CE3-CG2 3.79Å; W270-T288 HydrophobicContact CZ3-CG2 4.24Å; W270-T288 PolarHBondContact N-O 3.19Å; A283-T288 WeakPolarHBondContact CA-OG1 3.5Å; A283-T288 HydrophobicContact CB-CG2 3.95Å; S284-T288 PolarHBondContact N-OG1 3.33Å; S284-T288 PolarHBondContact O-N 3.44Å; S284-T288 PolarHBondContact O-OG1 3.36Å
289R86.7Confident79.7Confident48 Ų4851.1 Ų51.118%0.18127%0.269CS..EExtended strand (participates in β ladder)trans-128.5141.7-179.8-168.9149.9173.5-159.4-10110.2E237 V261 M263 D269 V291E237-R289 IonicContact OE2-CZ 3.37Å; E237-R289 IonicContact OE2-NH1 3.56Å; E237-R289 PolarHBondContact OE2-NH1 3.26Å; E237-R289 IonicContact OE2-NH2 3.69Å; E237-R289 PolarHBondContact OE2-NH2 3.25Å; E237-R289 VanDerWaalsContact OE2-NH2 3.08Å; V261-R289 PolarHBondContact N-O 3.33Å; V261-R289 PolarHBondContact O-N 2.64Å; M263-R289 HydrophobicContact CG-CB 4.37Å; D269-R289 WeakPolarHBondContact OD1-CG 3.19Å; D269-R289 IonicContact OD2-NE 2.74Å; R289-V291 HydrophobicContact CG-CG1 4.27Å
290L88.1Confident78.5Confident39 Ų3958 Ų5820%0.20429%0.291CS..EExtended strand (participates in β ladder)trans-108.3119.3-178.8-174.369.4000110.1F245 L249 Y258 W270 I274F245-L290 HydrophobicContact CD1-CD1 4.13Å; F245-L290 HydrophobicContact CE1-CD1 4.34Å; L249-L290 HydrophobicContact CD1-CD2 4.08Å; Y258-L290 HydrophobicContact CD1-CG 4.32Å; W270-L290 HydrophobicContact CB-CB 4.19Å; W270-L290 HydrophobicContact CD2-CB 3.81Å; W270-L290 HydrophobicContact CD2-CD1 4.4Å; W270-L290 HydrophobicContact CD2-CD2 4.32Å; W270-L290 HydrophobicContact CD2-CG 4.41Å; W270-L290 HydrophobicContact CE3-CB 4.09Å; W270-L290 HydrophobicContact CE3-CD1 4.3Å; W270-L290 HydrophobicContact CG-CB 3.87Å; W270-L290 HydrophobicContact CH2-CD1 4.04Å; W270-L290 HydrophobicContact CZ2-CD1 4.14Å; W270-L290 HydrophobicContact CZ2-CD2 4.19Å; W270-L290 HydrophobicContact CZ3-CD1 4.14Å; I274-L290 HydrophobicContact CD1-CD2 3.74Å; I274-L290 HydrophobicContact CG1-CD2 4.36Å
291V84.8Confident77.1Confident16 Ų1660.9 Ų60.910%0.09731%0.311CS..EExtended strand (participates in β ladder)trans-133.1155.6-173.5-67.90000111.7L234 Y258 V259 V261 R289 V296L234-V291 HydrophobicContact CD1-CG1 4.47Å; L234-V291 HydrophobicContact CD2-CG1 4.28Å; L234-V291 HydrophobicContact CD2-CG2 3.81Å; Y258-V291 CarbonylContact C-O 3.6Å; Y258-V291 WeakPolarHBondContact CA-O 3.43Å; V259-V291 HydrophobicContact CB-CG2 4.46Å; V259-V291 PolarHBondContact N-O 3.07Å; V259-V291 WeakPolarHBondContact O-CG2 3.37Å; V259-V291 PolarHBondContact O-N 2.98Å; V261-V291 HydrophobicContact CG2-CG2 4.34Å; R289-V291 HydrophobicContact CG-CG1 4.27Å; V291-V296 HydrophobicContact CG2-CG2 3.42Å; V291-V296 VanDerWaalsContact CG2-CG2 3.42Å
292P81.3Confident75.7Confident47 Ų4761.9 Ų61.931%0.30531%0.314SS..EExtended strand (participates in β ladder)trans-57.5147.9166.5-21.733.3000111.6Y258 G294 D295Y258-P292 HydrophobicContact CD1-CG 4.49Å; Y258-P292 HydrophobicContact CE1-CG 3.93Å; P292-G294 PolarHBondContact O-N 3.31Å; P292-G294 VanDerWaalsContact O-N 3.14Å; P292-D295 WeakPolarHBondContact CD-OD2 3.46Å; P292-D295 WeakPolarHBondContact CG-OD2 3.17Å; P292-D295 PolarHBondContact O-N 3.19Å
293I79Confident74.1Confident27 Ų2762.6 Ų62.614%0.13832%0.32CS..G310 helixtrans-57.7-29.7176.9-164.5167.2000112.7L226 Y257 V259 D295 V296L226-I293 HydrophobicContact CD1-CG1 4.05Å; Y257-I293 WeakPolarHBondContact O-CB 3.07Å; Y257-I293 PolarHBondContact O-N 3.21Å; V259-I293 HydrophobicContact CG2-CB 3.92Å; V259-I293 HydrophobicContact CG2-CG1 3.87Å; I293-D295 PolarHBondContact O-N 2.82Å; I293-V296 PolarHBondContact O-N 2.88Å
294G75.1Confident71.9Confident13 Ų1369.4 Ų69.413%0.13435%0.353CS..G310 helixtrans-64-19.7176.400000114.9Y223 R235 P292Y223-G294 WeakPolarHBondContact OH-CA 3.22Å; R235-G294 VanDerWaalsContact CD-O 3.3Å; R235-G294 WeakPolarHBondContact CD-O 3.2Å; R235-G294 PolarHBondContact NH1-O 2.97Å; P292-G294 PolarHBondContact O-N 3.31Å; P292-G294 VanDerWaalsContact O-N 3.14Å
295D81.1Confident69.7Low53 Ų5376 Ų7628%0.28338%0.379SS..G310 helixtrans-97.87.2-178.4-61.8-50.2000113.1L234 R235 P292 I293L234-D295 CarbonylContact C-O 3.44Å; L234-D295 WeakPolarHBondContact CA-O 3.32Å; R235-D295 PolarHBondContact N-O 2.63Å; P292-D295 WeakPolarHBondContact CD-OD2 3.46Å; P292-D295 WeakPolarHBondContact CG-OD2 3.17Å; P292-D295 PolarHBondContact O-N 3.19Å; I293-D295 PolarHBondContact O-N 2.82Å
296V79.8Confident67.1Low7 Ų783.1 Ų83.14%0.04240%0.399CS..EExtended strand (participates in β ladder)trans-114.3127.6-176.3-173.90000110.5L226 V232 L234 V259 V261 V291 I293L226-V296 HydrophobicContact CD1-CB 3.95Å; L226-V296 HydrophobicContact CD1-CG1 3.68Å; V232-V296 HydrophobicContact CB-CG1 3.5Å; V232-V296 HydrophobicContact CG1-CG1 3.54Å; V232-V296 HydrophobicContact CG2-CG1 3.79Å; L234-V296 HydrophobicContact CD2-CG2 4.14Å; V259-V296 HydrophobicContact CB-CG2 4Å; V259-V296 HydrophobicContact CG1-CG2 4.28Å; V259-V296 HydrophobicContact CG2-CG2 4.22Å; V261-V296 HydrophobicContact CG2-CG2 4.4Å; V291-V296 HydrophobicContact CG2-CG2 3.42Å; V291-V296 VanDerWaalsContact CG2-CG2 3.42Å; I293-V296 PolarHBondContact O-N 2.88Å
297M77.4Confident64.8Low49 Ų4983.6 Ų83.624%0.24141%0.41CS..EExtended strand (participates in β ladder)trans-120.6139.7175-73.5-173.16400112.1V232 V233 R235 M302V232-M297 CarbonylContact C-O 3.43Å; V232-M297 WeakPolarHBondContact CA-O 3.13Å; V232-M297 WeakPolarHBondContact CB-O 3.41Å; V233-M297 PolarHBondContact N-O 3.35Å; V233-M297 PolarHBondContact O-N 2.92Å; R235-M297 HydrophobicContact CG-CG 3.83Å; R235-M297 HydrophobicContact CG-SD 3.89Å; R235-M297 VanDerWaalsContact NE-CG 3.35Å; R235-M297 PolarHBondContact NE-SD 2.97Å; M297-M302 HydrophobicContact CE-CE 4.07Å; M297-M302 HydrophobicContact SD-CE 4.39Å
298P78.1Confident62.9Low30 Ų3085.3 Ų85.320%0.19543%0.427CS..EExtended strand (participates in β ladder)trans-61.3139.8172.6-20.731.3000113L226 Y300 S301L226-P298 HydrophobicContact CD2-CG 4Å; P298-Y300 HydrophobicContact CB-CD1 3.84Å; P298-Y300 HydrophobicContact CB-CD2 4.18Å; P298-Y300 HydrophobicContact CB-CE1 3.36Å; P298-Y300 HydrophobicContact CB-CE2 3.73Å; P298-Y300 HydrophobicContact CB-CG 4.23Å; P298-Y300 HydrophobicContact CG-CE1 4.3Å; P298-Y300 HydrophobicContact CG-CE2 4.25Å; P298-Y300 PolarHBondContact O-N 3.37Å; P298-Y300 VanDerWaalsContact O-N 3.1Å; P298-S301 PolarHBondContact O-N 2.93Å
299E66.3Low60.1Low52 Ų5295 Ų9524%0.24347%0.469CS..G310 helixtrans-63-20.6-174-173.9167.3-154.100113.6R231 V233 R240R231-E299 HydrophobicContact CB-CB 4.03Å; R231-E299 VanDerWaalsContact CB-OE2 3.31Å; R231-E299 WeakPolarHBondContact CB-OE2 3.47Å; R231-E299 IonicContact CZ-OE2 2.69Å; R231-E299 IonicContact NE-OE2 2.84Å; R231-E299 PolarHBondContact NE-OE2 2.81Å; R231-E299 IonicContact NH2-OE1 2.75Å; R231-E299 IonicContact NH2-OE2 2.72Å; R231-E299 PolarHBondContact NH2-OE2 3.1Å; R231-E299 PolarHBondContact O-N 3.3Å; V233-E299 HydrophobicContact CG2-CB 4.33Å; V233-E299 HydrophobicContact CG2-CG 4.37Å; R240-E299 WeakPolarHBondContact CD-OE1 3.24Å; R240-E299 IonicContact CZ-OE1 3.7Å; R240-E299 VanDerWaalsContact CZ-OE1 3.28Å; R240-E299 IonicContact NE-OE1 3.39Å; R240-E299 IonicContact NH1-OE1 3.23Å; R240-E299 PolarHBondContact NH1-OE1 2.79Å
300Y55.4Low57.4Low185 Ų185101.6 Ų101.673%0.72550%0.501SS*.G310 helixtrans-76.1-19.3-179.248.7-101.5000115.1P298 M302P298-Y300 HydrophobicContact CB-CD1 3.84Å; P298-Y300 HydrophobicContact CB-CD2 4.18Å; P298-Y300 HydrophobicContact CB-CE1 3.36Å; P298-Y300 HydrophobicContact CB-CE2 3.73Å; P298-Y300 HydrophobicContact CB-CG 4.23Å; P298-Y300 HydrophobicContact CG-CE1 4.3Å; P298-Y300 HydrophobicContact CG-CE2 4.25Å; P298-Y300 PolarHBondContact O-N 3.37Å; P298-Y300 VanDerWaalsContact O-N 3.1Å; Y300-M302 PolarHBondContact O-N 2.88Å; Y300-M302 VanDerWaalsContact O-N 3.13Å
301S51.1Low54.3Low66 Ų66105 Ų10546%0.46253%0.528SS..G310 helixtrans-74.5-1.7-171.4-55.90000115.7P298P298-S301 PolarHBondContact O-N 2.93Å
302M43.8Very low51.6Low142 Ų142113.8 Ų113.870%0.757%0.566SS**G310 helixtrans-110.89-169.8-74.1-68.3179.600115M297 Y300M297-M302 HydrophobicContact CE-CE 4.07Å; M297-M302 HydrophobicContact SD-CE 4.39Å; Y300-M302 PolarHBondContact O-N 2.88Å; Y300-M302 VanDerWaalsContact O-N 3.13Å
303Q38.7Very low48.9Very low175 Ų175116 Ų11682%0.81859%0.588SS**SBendtrans-89.2-21.3-167.4-158.857.285.600115.1
304D33Very low47.6Very low161 Ų161120.2 Ų120.286%0.86162%0.617SS**SBendtrans-12133.7-157.8-135.4-6.7000116.5
305Q33.3Very low45.3Very low186 Ų186131.9 Ų131.987%0.86966%0.657SS**  trans-132.784.2168.6-72.9-163.74.800113.4
306R27.3Very low42.6Very low253 Ų253133.3 Ų133.396%0.95569%0.685SS**  trans-145.6114.1160.2-71.5-164.7-179.8162.44.6114
307V30.7Very low40Very low143 Ų143138 Ų13887%0.86772%0.718SS**  trans-145.2175.2171.9-122.60000106.8
308P44Very low37.7Very low99 Ų99140.8 Ų140.864%0.64373%0.734SS**  cis-135.5-177.8-1140-22.7000114.7
309K26.8Very low35.4Very low203 Ų203147.6 Ų147.688%0.88376%0.761SS**  179.9153.3123.7-99.4163.5-175.3172.40114.8
310H29.5Very low33.4Very low187 Ų187150.6 Ų150.687%0.86679%0.787SS**  trans-101157.5-178.8-55.4-101.9000113.8
311S24.2Very low32Very low110 Ų110146.4 Ų146.477%0.76979%0.785SS**  trans-167121.8140.645.10000116.3
312F27.8Very low30.7Very low201 Ų201149.2 Ų149.288%0.88280%0.804SS**  trans49.5113.2144.1-71.8-84.4000125.1
313A24.2Very low29.9Very low93 Ų93146.3 Ų146.377%0.76981%0.811SS**  81.2156121.200000122
314P52.6Low29.4Very low117 Ų117147.1 Ų147.176%0.7682%0.815SS**  trans-127.1154.7-15341.3-26.7000117.8
315R26.3Very low29.1Very low257 Ų257145.1 Ų145.197%0.9781%0.814SS**  trans162.1145.7144.4-95.1170.3178.4-166.31.2110.5
316G24.1Very low28.8Very low84 Ų84145.8 Ų145.887%0.86681%0.813SS**  trans162.3146.5167.200000114.5
317S25.8Very low29.3Very low106 Ų106140.1 Ų140.174%0.74181%0.809SS**  trans-120.4168.1-174.4-165.80000112.7
318D28.8Very low29Very low107 Ų107142.8 Ų142.857%0.57281%0.809SS**  trans71.5111.2155.7-75-77.4000122.3
319K29.5Very low28.4Very low173 Ų173142.9 Ų142.975%0.75281%0.813SS**  56.5144.7120.8-64-176.6-173.6111.40122.6
320S24.8Very low28.4Very low114 Ų114143.4 Ų143.480%0.79782%0.815SS**  trans75.1152.2149.877.70000117.4
321S24.9Very low28.2Very low97 Ų97138 Ų13868%0.67881%0.809SS**  cis-172.4147.8-24.7490000110.7
322S25.5Very low28.3Very low125 Ų125141.3 Ų141.387%0.87482%0.818SS**  trans59.1143.9153.667.10000120.7
323G25.1Very low28.2Very low82 Ų82135.3 Ų135.385%0.84581%0.805SS**  trans162.8105.3163.200000114.7
324Q29.5Very low28.4Very low192 Ų192138.5 Ų138.590%0.89780%0.804SS**  trans-95.3150169.6-65.6176.4-20.700110.8
325S25.8Very low27.2Very low119 Ų119140.3 Ų140.383%0.83280%0.802SS**  162.9156.1116.153.80000114.2
326K28.5Very low27Very low199 Ų199133.8 Ų133.887%0.86580%0.795SS**  trans-102.9155.9160.7-66.2175.3175.9173.60107.8
327P36.6Very low27Very low134 Ų134133.4 Ų133.487%0.8779%0.791SS**  -148-171.210236.6-18.4000115.1
328K24.6Very low26.9Very low199 Ų199132 Ų13287%0.86579%0.793SS**  trans-105.8157.2-173.4-55.9172.2176178.40112.7
329S30.7Very low26.8Very low102 Ų102138.9 Ų138.971%0.71381%0.811SS**  140.7140.6104.869.30000117.3
330K27.8Very low26.6Very low213 Ų213136.2 Ų136.293%0.92681%0.814SS**  trans57.8135.5159.7-60171.6-179.9-178.70117.1
331G25.8Very low26.6Very low73 Ų73140.9 Ų140.975%0.75382%0.82SS**  cis-161.3-152.81.500000109.4
332L26.3Very low26.7Very low181 Ų181141.6 Ų141.695%0.94883%0.825SS**  cis-154.8-171.90.2-123.1174.9000111
333A25.1Very low26.9Very low75 Ų75142.9 Ų142.962%0.6282%0.822SS**  trans-78.2153.1-16700000118.5
334H28.8Very low26.9Very low160 Ų160147.7 Ų147.774%0.74182%0.82SS**  -161.1156.5102.9-117.4-97.7000115.1
335Q27.1Very low26.5Very low154 Ų154147.2 Ų147.272%0.7281%0.811SS**  trans-28.5155176.1-66.4154.8-25.700118.8
336C22.2Very low26.3Very low120 Ų120151.1 Ų151.181%0.81181%0.809SS**  cis-164.5171.6-5.5-111.90000109.3
337G23.6Very low26Very low76 Ų76147 Ų14778%0.78480%0.801SS**  cis126.8106.3-5.700000114.9
338G23.6Very low25.4Very low76 Ų76148 Ų14878%0.78480%0.798SS**  trans-164.3145173.800000114.5
339R27.8Very low25.4Very low252 Ų252146.1 Ų146.195%0.95180%0.798SS**  trans39.998.5169.9-61.3-178.7-179178.30.7116.8
340S24.6Very low25Very low118 Ų118144.7 Ų144.783%0.82580%0.799SS**  cis90.498.733.4-165.30000116.8
341K25.7Very low24.8Very low211 Ų211140.3 Ų140.392%0.91780%0.795SS**  -160.2146.9125.7-109.9178.7180-178.80110
342S25.1Very low24.7Very low113 Ų113142 Ų14279%0.7980%0.796SS**  trans-163.6138.1-177.256.90000111.6
343D31.4Very low24.7Very low152 Ų152141.5 Ų141.581%0.81379%0.793SS**  trans-80.6149.3176.7-57.9-72.1000113.6
344F23.7Very low24.7Very low183 Ų183145.3 Ų145.380%0.80380%0.803SS**  trans-178.5152148.6-107.6-57.3000116.1
345Y21.4Very low25.9Very low181 Ų181142.6 Ų142.671%0.7180%0.8SS**  trans6695.7152.6-78.1-71.3000124.4
346Y21.8Very low26.4Very low201 Ų201141.1 Ų141.179%0.78880%0.803SS**  54.7142.3120.3-84.7-82.8000126.9
347T22.4Very low26.5Very low114 Ų114139.8 Ų139.870%0.69980%0.801SS**  trans90111.2142.3400000125.3
348L23.1Very low26.7Very low154 Ų154143.3 Ų143.381%0.80680%0.797SS**  91.5148.3126.3-78.2166.9000124.1
349N25.4Very low27.4Very low160 Ų160145.1 Ų145.186%0.85680%0.795SS**  trans68.2130.8177.2-62-9.5000117.9
350G22.6Very low27.2Very low72 Ų72141.8 Ų141.874%0.74279%0.787SS**  cis154.3121.4-14.400000115.4
351S24.2Very low27.3Very low121 Ų121142 Ų14285%0.84679%0.789SS**  trans174.7118.1156.4-74.20000107.3
352S23.5Very low27.2Very low108 Ų108141 Ų14176%0.75579%0.785SS**  62122.275.3-157.20000111.9
353L26.1Very low27.2Very low170 Ų170140.2 Ų140.289%0.8978%0.779SS**  cis-125.9173.649.3-66.3163.7000115.6
354D25.7Very low26.8Very low155 Ų155138 Ų13883%0.82977%0.771SS**  trans-133.6-169.8-170.2-136.8-5.9000111.2
355P52.4Low26.7Very low104 Ų104139.8 Ų139.868%0.67577%0.773SS**  trans-120.3-157-137.237.4-13.6000113.6
356P38.9Very low26.8Very low123 Ų123141.1 Ų141.180%0.79978%0.778SS**  -137.9-165.679.440.7-23000111.7
357A24.6Very low26.9Very low92 Ų92138.6 Ų138.676%0.7678%0.777SS**  cis-154.7-175.312.500000113
358Q27.4Very low27Very low150 Ų150140.6 Ų140.670%0.70178%0.783SS**  trans-155.7155.2176.9-103.9-81.4-34.200108.2K360Q358-K360 VanDerWaalsContact OE1-N 3.12Å
359P37.3Very low27.2Very low113 Ų113141.5 Ų141.573%0.73478%0.783SS**  -157.2143.485.938.8-17.8000119.6
360K24.3Very low27.2Very low182 Ų182140.7 Ų140.779%0.79178%0.784SS**  15.4141.7126.1-53.6171.6-174.3173.30118.4Q358Q358-K360 VanDerWaalsContact OE1-N 3.12Å
361S26.9Very low27.3Very low124 Ų124140.8 Ų140.887%0.86778%0.784SS**  -171.9-17180.166.50000115.9
362K24Very low27.5Very low190 Ų190144.1 Ų144.183%0.82679%0.786SS**  trans-103.7146.2-155.1-50.6171.7171.1-179.90116.7
363S23.9Very low27.6Very low95 Ų95145.5 Ų145.566%0.66479%0.785SS**  60.9127.3125.274.60000125.3
364T23Very low28.2Very low107 Ų107143 Ų14366%0.65678%0.779SS**  trans84.5139137.69.90000124.3
365W22.3Very low28.4Very low219 Ų219138.8 Ų138.883%0.8377%0.766SS**  trans93122.5146.5-68.8129.2000122.6
366Y22.4Very low27.2Very low209 Ų209143.3 Ų143.382%0.8278%0.775SS**  trans72.7142.3146.6-116.7-97.7000121.2
367I25Very low26.6Very low149 Ų149141.8 Ų141.876%0.76477%0.767SS**  trans-120.1142171.8-69.1169.4000106.2
368D23.5Very low26.9Very low155 Ų155145 Ų14583%0.82977%0.771SS**  trans-115.7156.3169.1-147.4-16.7000109.6
369E27.1Very low27Very low174 Ų174143.2 Ų143.281%0.81377%0.77SS**  trans-96.1-170.4-163.9-68.5-165.211900115.2
370V26.4Very low26.5Very low143 Ų143144.3 Ų144.387%0.86777%0.77SS**  trans98.7125.6156.8-170.60000116.8
371G25.6Very low26.5Very low73 Ų73141.2 Ų141.275%0.75377%0.766SS**  trans172.436177.400000119
372E28Very low27.3Very low191 Ų191140.7 Ų140.789%0.89376%0.76SS**  trans23132.5161.7-57.7-174.1122.400123.4
373D25.6Very low28.5Very low137 Ų137136.4 Ų136.473%0.73375%0.752SS**  trans-93.1147.3157.6173.244.7000109.9A375D373-A375 PolarHBondContact OD1-N 2.86Å
374P39Very low28.7Very low118 Ų118139.6 Ų139.677%0.76676%0.756SS**  -150.5108.1112.534.7-15.4000117
375A28.2Very low29.2Very low66 Ų66143.5 Ų143.555%0.54576%0.764SS.*  trans25.4140.6130.900000123.6D373D373-A375 PolarHBondContact OD1-N 2.86Å
376K28.1Very low29.5Very low200 Ų200137.4 Ų137.487%0.8776%0.755SS**  trans84.6154.1159-57.8173.1-177.1172.10118.9
377S26.7Very low29.8Very low90 Ų90135.4 Ų135.463%0.62975%0.753SS**  cis-176141.9-32.362.20000112.1
378L29.8Very low29.7Very low161 Ų161133 Ų13384%0.84375%0.75SS**  trans67.9162.4160.7-56.4170.3000116.8
379T30.5Very low30Very low112 Ų112131.2 Ų131.269%0.68775%0.749SS**  cis-153.4-174.814.4-23.40000112.8
380D26.5Very low31.2Very low136 Ų136128.5 Ų128.573%0.72775%0.747SS**  trans86.3144.9157.5-61.8-19.4000119.7
381T25.3Very low31.5Very low116 Ų116128 Ų12871%0.71275%0.747SS**  cis-171.9-176.9-14.635.70000108.3
382P41.9Very low31.6Very low113 Ų113129.8 Ų129.873%0.73475%0.748SS**  cis-122.8-126.6-27.8250.8000112.7
383P50.3Low31.4Very low100 Ų100132.2 Ų132.265%0.64975%0.748SS**  -127.3-163.4-108.346.8-28.6000114.3
384E28.6Very low31.5Very low162 Ų162129.5 Ų129.576%0.75775%0.745SS**  cis-159.3144.44.5-140.3158.4-74.800113.4
385F32.6Very low31.4Very low189 Ų189129.6 Ų129.683%0.82975%0.746SS**  trans20.6153.7139.7-70.7-111.3000123.4
386S28.5Very low31.5Very low91 Ų91131.5 Ų131.564%0.63675%0.753SS**  cis-173.5-167-12.657.10000108.6
387Q28.1Very low32.1Very low167 Ų167127.8 Ų127.878%0.7875%0.752SS**  cis-161159.37.5-147.3-169.810400109.4
388S23.4Very low32Very low100 Ų100128 Ų12870%0.69975%0.753SS**  149170.810057.50000111.2
389S29.1Very low31.8Very low116 Ų116124.9 Ų124.981%0.81175%0.745SS**  trans-163.5174.6-178.8-49.50000111
390P52.5Low31.7Very low118 Ų118127.1 Ų127.177%0.76675%0.752SS**  cis-112.7-167.3-3538.9-24.1000110.7
391P33.9Very low31.7Very low132 Ų132125.4 Ų125.486%0.85775%0.751SS**  -151.6-155.4105.541.4-23000114.4
392S26.3Very low31.7Very low111 Ų111124 Ų12478%0.77675%0.745SS**  trans-122.4-173.1-165.262.70000114.3
393R24.7Very low31Very low241 Ų241124.7 Ų124.791%0.90974%0.743SS**  trans91.8134.1155.9-162.7178-175.8173.11.4118
394A27.3Very low29.8Very low80 Ų80126.4 Ų126.466%0.66175%0.747SS**  trans-122174.7164.800000109.2
395P38.2Very low29.6Very low121 Ų121127.1 Ų127.179%0.78675%0.747SS**  cis-104.7-136-16.943.1-29.6000107.9
396P29.9Very low29.1Very low106 Ų106126.5 Ų126.569%0.68874%0.744SS**  cis-115.9159.516.841.3-29.7000115.5
397S40.6Very low28.9Very low122 Ų122131.6 Ų131.685%0.85376%0.758SS**  trans-95.4121.1155.454.20000109.3
398S24.5Very low28.7Very low93 Ų93128.2 Ų128.265%0.6575%0.753SS**  trans-159.8140.7-179.855.30000113
399S26.1Very low29.1Very low96 Ų96131.5 Ų131.567%0.67176%0.761SS**  cis-176.7175.8-10.7450000110.5
400L27.7Very low29.1Very low160 Ų160130.4 Ų130.484%0.83875%0.752SS**  trans74.7154.3158.9-56.8-179.6000118.1
401S26.1Very low27.6Very low100 Ų100133.5 Ų133.570%0.69975%0.753SS**  cis-173.7-179.7-27.366.90000108
402S26.2Very low27.4Very low86 Ų86132.6 Ų132.660%0.60175%0.751SS**  cis-146.1161.7-6.842.60000106.1
403D25.7Very low27.3Very low127 Ų127134.2 Ų134.268%0.67975%0.749SS**  16916471.1-99.2-53.2000106.7
404N26Very low27.2Very low137 Ų137127.7 Ų127.773%0.73373%0.733SS**  cis-148.6-172-1-138.7-48.5000111.8
405K25.2Very low27.1Very low176 Ų176134 Ų13477%0.76574%0.74SS**  trans-79.4144.9-169.5-74.1172.5173.4169.20117.3
406F21.6Very low26.3Very low176 Ų176137.2 Ų137.277%0.77274%0.741SS**  trans28.3132.7135-68.2-105.2000121
407H24.8Very low26Very low199 Ų199137.6 Ų137.692%0.92174%0.741SS**  -132.4154.1128.6-100.3-88000110.2
408S22Very low25.3Very low96 Ų96138 Ų13867%0.67174%0.741SS**  trans-106.8155.1-162.7-45.60000114.1
409L33.2Very low25.2Very low168 Ų168141.3 Ų141.388%0.8875%0.746SS**  trans-57.8142.9147.6-55.4173.9000107.9
410P28.5Very low25.1Very low94 Ų94143.5 Ų143.561%0.6175%0.751SS**  -155.3167.381.834.8-12.9000116.4
411F22Very low25.1Very low182 Ų182142.4 Ų142.480%0.79874%0.744SS**  172.7136.6106.4-97.9-64.2000113.6
412S29.6Very low24.9Very low114 Ų114142 Ų14280%0.79774%0.742SS**  trans-120.3135.9163.1-49.60000108.8
413L23.7Very low24.9Very low144 Ų144147 Ų14775%0.75476%0.756SS**  trans-147.3148.7168.9-71.9-179.9000107.7
414N22.6Very low24.7Very low105 Ų105144.2 Ų144.256%0.56176%0.757SS**  cis-156.3145.811.2-140.3-18.1000112.5
415R24.3Very low25.4Very low212 Ų212143.4 Ų143.480%0.876%0.759SS**  trans46.2147.1140.6-81168.7-174.8177.4-1.7120.7
416K23.1Very low25.3Very low189 Ų189142.1 Ų142.182%0.82276%0.759SS**  cis-160.5147.936.3-138.4161-175.5-176.50111.9
417T21.5Very low25.4Very low113 Ų113138.7 Ų138.769%0.69376%0.756SS**  trans-88.1175.7167510000111.1
418P26.5Very low25.3Very low130 Ų130136.2 Ų136.284%0.84475%0.749SS**  -134.117588.836.6-23.5000114.8
419E23.3Very low25.5Very low163 Ų163136.4 Ų136.476%0.76275%0.75SS**  trans-107.9160.5-173.3-58153.6116.500111.9
420N24.5Very low25.1Very low142 Ų142135 Ų13576%0.75975%0.749SS**  179.8124.7124.5-96.3-20.6000116.9
421I26Very low24.9Very low137 Ų137134 Ų13470%0.70376%0.756SS**  61.892.2124.1-58.8174.4000120.2
422S23.2Very low25.1Very low93 Ų93131 Ų13165%0.6576%0.757SS**  84158.7121.386.80000124.1
423Q25.6Very low24.9Very low191 Ų191131.2 Ų131.289%0.89375%0.753SS**  trans69.3131.8159-65.3-179.73.100119.9
424G22Very low25Very low68 Ų68133.2 Ų133.270%0.70176%0.761SS**  trans-109.8-162.1148.400000109.2
425P40.6Very low25.1Very low119 Ų119131.6 Ų131.677%0.77377%0.769SS**  cis-135.8-153.71329-2.7000113.5
426I23.4Very low25Very low150 Ų150131 Ų13177%0.76978%0.775SS**  trans89.4101.9158-49.9161.8000119.2
427S23.6Very low25.1Very low103 Ų103129.1 Ų129.172%0.7277%0.769SS**  44.2155.7118.4-139.80000125.8
428L23Very low25.5Very low148 Ų148129.7 Ų129.778%0.77578%0.775SS**  trans81.287.7157.9-56.9-175.1000122.7
429S24.4Very low25.3Very low99 Ų99130.7 Ų130.769%0.69277%0.768SS**  35.9144.6114.1650000125.5
430V25.3Very low26.2Very low140 Ų140128.2 Ų128.285%0.84877%0.766SS**  trans120.7109.4142-177.10000118.7
431G24.5Very low26.8Very low73 Ų73127.5 Ų127.575%0.75377%0.769SS**  trans74.9169.6139.600000121.4
432S26.6Very low26.8Very low119 Ų119126.1 Ų126.183%0.83277%0.772SS**  cis-174.6-179.3-24.6-165.60000111.4
433V25.9Very low27.5Very low117 Ų117127.5 Ų127.571%0.70978%0.779SS**  trans93.1108.4158.7-172.50000121.2
434M25.3Very low27.5Very low187 Ų187123.5 Ų123.592%0.92178%0.778SS**  trans41.7152.9133.9-55173.5177.800122.5
435G24.1Very low27.8Very low70 Ų70125 Ų12572%0.72278%0.784SS**  cis-158.9-148.92.800000110.4
436E23.5Very low27.4Very low200 Ų200125 Ų12594%0.93578%0.784SS**  cis-153.7-166.6-1-66.3-16898.300109.6
437Q23.6Very low27.9Very low149 Ų149123.9 Ų123.970%0.69679%0.786SS**  trans-150.7164.8-176.2-150.2-170.1-4.600112.7E439Q437-E439 VanDerWaalsContact NE2-CG 3.33Å
438P30.3Very low28.2Very low125 Ų125124.2 Ų124.281%0.81279%0.789SS**  -151.4177.8101.638.1-18.7000117.3
439E22.5Very low28.7Very low151 Ų151123 Ų12371%0.70679%0.79SS**  trans-107.2-152.6-176.3-45.9-177.5129.300112.2Q437Q437-E439 VanDerWaalsContact NE2-CG 3.33Å
440P42.3Very low29Very low112 Ų112129.3 Ų129.373%0.72780%0.799SS**  cis-129.2-161.1-17.126.70.5000111.8
441P37.1Very low29.5Very low126 Ų126128 Ų12882%0.81879%0.793SS**  cis-136.1-167.38.744.6-23.8000118
442S26.1Very low29.8Very low109 Ų109130.4 Ų130.476%0.76280%0.795SS**  trans-113.3-163-161.465.40000111.8
443P37.9Very low30.1Very low122 Ų122131 Ų13179%0.79279%0.794SS**  cis-142.9161.912.142.7-22.8000120.2
444A24.8Very low30.3Very low106 Ų106130.9 Ų130.988%0.87680%0.796SS**  trans-157.4161.6149.200000109.5
445A28.9Very low30.6Very low100 Ų100128 Ų12883%0.82679%0.791SS**PPolyproline II helixtrans-100.2147.2-164.100000116
446P33.2Very low31.1Very low118 Ų118137.1 Ų137.177%0.76680%0.804SS**PPolyproline II helixtrans-95.4163.8175.837.9-35.6000114.3
447P32.2Very low31.8Very low127 Ų127131.1 Ų131.183%0.82580%0.795SS**PPolyproline II helixtrans-81.3162.8-178.333.2-36.9000115
448S30.5Very low32.3Very low111 Ų111130.9 Ų130.978%0.77679%0.794SS**PPolyproline II helixtrans-74.8144.3-179.853.60000114.3
449P34.4Very low32.8Very low123 Ų123129.4 Ų129.480%0.79979%0.785SS**PPolyproline II helixtrans-73.6149-178.630.2-35.6000114.1
450R30.9Very low34.5Very low231 Ų231126 Ų12687%0.87279%0.79SS**PPolyproline II helixtrans-74.8141.3176.1-171.4-177.8-70.1-166.3-2.1110.7
451P34.6Very low35.8Very low111 Ų111121.7 Ų121.772%0.72176%0.761SS**PPolyproline II helixtrans-66.9150.9176.927.9-35.6000112.4
452P31.4Very low37.7Very low124 Ų124122.2 Ų122.281%0.80575%0.753SS**PPolyproline II helixtrans-75144-177.430.4-35.1000112.9
453T32.1Very low39.9Very low131 Ų131121.2 Ų121.280%0.80474%0.742SS**PPolyproline II helixtrans-68.5140.9170.747.30000111.5
454P31.3Very low41.6Very low115 Ų115118 Ų11875%0.74773%0.73SS**PPolyproline II helixtrans-68.715117829.3-35.1000112.3
455P30Very low44Very low126 Ų126114 Ų11482%0.81870%0.696SS**PPolyproline II helixtrans-72.9147.5179.130.3-35000112.5
456R35.6Very low46.6Very low263 Ų263112.6 Ų112.699%0.99267%0.674SS**SBendtrans-61.3133.5175.3-93.6-179.7165.7176.1-4.8111.9
457G37.3Very low49Very low74 Ų74107 Ų10776%0.76364%0.638SS**  trans115.761.8155.700000117.4
458Q34.6Very low51.6Low144 Ų144102 Ų10267%0.67360%0.603SS**SBendtrans-142.5158.7156.9-77.7-148-9.100109.2
459P42.1Very low54.2Low94 Ų9497.2 Ų97.261%0.6157%0.569SS**  trans-60.9142.9-172.323.1-34.8000113L461P459-L461 PolarHBondContact O-N 2.82Å
460G57.5Low55.9Low80 Ų8098.1 Ų98.183%0.82556%0.561SS**  trans-71.584.9-179.700000112.1
461L68.8Low57.6Low21 Ų2192.4 Ų92.411%0.1154%0.544CS..  trans-110.6125169.9-66178.2000108.6P459 V467 I479 L527 C530 P532P459-L461 PolarHBondContact O-N 2.82Å; L461-V467 HydrophobicContact CD1-CG1 4.04Å; L461-V467 HydrophobicContact CD2-CG1 3.67Å; L461-V467 HydrophobicContact CG-CG1 4.38Å; L461-I479 HydrophobicContact CB-CD1 4.04Å; L461-L527 HydrophobicContact CB-CD1 4.17Å; L461-C530 HydrophobicContact CD1-CB 3.72Å; L461-P532 HydrophobicContact CD2-CG 4.1Å
462E78.4Confident58.4Low137 Ų13795.1 Ų95.164%0.6455%0.552SS**  trans-136.1178.2-172.469-170.7158.600112.2G464 S465 I479E462-G464 PolarHBondContact O-N 2.82Å; E462-S465 PolarHBondContact N-OG 3.16Å; E462-S465 VanDerWaalsContact O-CB 3.23Å; E462-S465 WeakPolarHBondContact O-CB 3.27Å; E462-S465 PolarHBondContact O-N 3.17Å; E462-S465 PolarHBondContact O-OG 3.03Å; E462-S465 VanDerWaalsContact O-OG 3.12Å; E462-I479 WeakPolarHBondContact O-CB 3.26Å
463V72.2Confident60Low88 Ų8894.2 Ų94.253%0.53355%0.546SS..THydrogen-bonded Turntrans-65.3123177.7179.70000109.4I479 V482V463-I479 CarbonylContact C-O 3.55Å; V463-I479 WeakPolarHBondContact CA-O 3.23Å; V463-I479 HydrophobicContact CG2-CG2 4.4Å; V463-V482 HydrophobicContact CG2-CB 4.47Å; V463-V482 HydrophobicContact CG2-CG2 4.08Å
464G72.4Confident62.3Low53 Ų5391.1 Ų91.155%0.54653%0.529SS..THydrogen-bonded Turntrans105.7-17.4-170.100000114.2E462 L466 I479E462-G464 PolarHBondContact O-N 2.82Å; G464-L466 PolarHBondContact O-N 3.5Å; G464-I479 PolarHBondContact N-O 2.93Å
465S76.6Confident64.8Low24 Ų2487.2 Ų87.217%0.16850%0.502CS..  trans-64.9130.8178.7-66.90000112.7E462 I479E462-S465 PolarHBondContact N-OG 3.16Å; E462-S465 VanDerWaalsContact O-CB 3.23Å; E462-S465 WeakPolarHBondContact O-CB 3.27Å; E462-S465 PolarHBondContact O-N 3.17Å; E462-S465 PolarHBondContact O-OG 3.03Å; E462-S465 VanDerWaalsContact O-OG 3.12Å; S465-I479 PolarHBondContact O-N 3.45Å
466L82.5Confident67.5Low70 Ų7082.4 Ų82.437%0.36647%0.47SS..EExtended strand (participates in β ladder)trans-75.7123.7166.2-77.9164.5000110G464 V478 D533 F536G464-L466 PolarHBondContact O-N 3.5Å; L466-V478 HydrophobicContact CD2-CG2 3.78Å; L466-D533 HydrophobicContact CB-CB 4.18Å; L466-D533 PolarHBondContact O-N 2.92Å; L466-D533 VanDerWaalsContact O-N 3.16Å; L466-F536 HydrophobicContact CD1-CD2 4Å; L466-F536 HydrophobicContact CD1-CE2 4.29Å; L466-F536 HydrophobicContact CD1-CG 4.27Å
467V83.9Confident70Confident0 Ų069.9 Ų69.90%042%0.424CS..EExtended strand (participates in β ladder)trans-142.9147.2-173-66.40000113.9L461 C476 G477 I479 L495 C530 R531L461-V467 HydrophobicContact CD1-CG1 4.04Å; L461-V467 HydrophobicContact CD2-CG1 3.67Å; L461-V467 HydrophobicContact CG-CG1 4.38Å; V467-C476 WeakPolarHBondContact O-CA 3.3Å; V467-G477 PolarHBondContact N-O 3Å; V467-G477 PolarHBondContact O-N 3.14Å; V467-I479 HydrophobicContact CG1-CD1 4.03Å; V467-I479 HydrophobicContact CG1-CG1 4.23Å; V467-I479 HydrophobicContact CG2-CD1 4.17Å; V467-I479 HydrophobicContact CG2-CG1 3.62Å; V467-L495 HydrophobicContact CG2-CD2 3.19Å; V467-C530 HydrophobicContact CB-CB 4.22Å; V467-C530 HydrophobicContact CG1-CB 4.31Å; V467-C530 HydrophobicContact CG2-CB 4.36Å; V467-R531 CarbonylContact C-O 3.53Å; V467-R531 WeakPolarHBondContact CA-O 3.18Å; V467-R531 WeakPolarHBondContact CB-O 3.34Å; V467-R531 WeakPolarHBondContact CG1-O 3.31Å
468E87.6Confident72.3Confident22 Ų2268.3 Ų68.310%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-97.9145.116664.9177.1-131.900110.8L475 R531 S534E468-L475 CarbonylContact C-O 3.57Å; E468-L475 WeakPolarHBondContact CA-O 3.28Å; E468-R531 HydrophobicContact CG-CB 3.81Å; E468-R531 PolarHBondContact N-O 3.18Å; E468-R531 PolarHBondContact O-N 2.88Å; E468-S534 WeakPolarHBondContact OE2-CB 3.16Å; E468-S534 PolarHBondContact OE2-N 2.72Å; E468-S534 VanDerWaalsContact OE2-N 3.12Å; E468-S534 PolarHBondContact OE2-OG 3.08Å
469V84.7Confident74.8Confident10 Ų1061.5 Ų61.56%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-111.7133.5166.9-179.20000108.8E471 P474 L475 L495 V525V469-E471 VanDerWaalsContact C-N 3.34Å; V469-E471 PolarHBondContact O-N 3.34Å; V469-P474 WeakPolarHBondContact O-CA 3.38Å; V469-L475 PolarHBondContact N-O 3.48Å; V469-L475 PolarHBondContact O-N 2.84Å; V469-L475 VanDerWaalsContact O-N 3.14Å; V469-L495 HydrophobicContact CG2-CD1 3.65Å; V469-V525 HydrophobicContact CG1-CG1 4.23Å; V469-V525 HydrophobicContact CG2-CG1 4.4Å; V469-V525 HydrophobicContact CG2-CG2 4.17Å
470K69.1Low76.7Confident143 Ų14363 Ų6362%0.62236%0.361SS*.  trans-73.881.4-178.5-79.2-158.2163.2-158.20113.5
471E66.7Low78.1Confident110 Ų11061.7 Ų61.751%0.51433%0.331SS..SBendtrans-107.9-173.8155.1-59.5-157.9156.900110.2V469 P473 L475V469-E471 VanDerWaalsContact C-N 3.34Å; V469-E471 PolarHBondContact O-N 3.34Å; E471-P473 VanDerWaalsContact C-C 3.43Å; E471-P473 CarbonylContact C-O 3.52Å; E471-P473 CarbonylContact O-C 3.33Å; E471-L475 WeakPolarHBondContact OE2-CD1 3.36Å
472N52.7Low78.9Confident168 Ų16863 Ų6390%0.89834%0.34SS*.SBendtrans-130.1101.5177.6-105.8-17.4000109
473P64.4Low79.2Confident105 Ų10557.4 Ų57.468%0.68232%0.318SS*.SBendcis-66.6161.3-3.330.9-36.8000113.2E471E471-P473 VanDerWaalsContact C-C 3.43Å; E471-P473 CarbonylContact C-O 3.52Å; E471-P473 CarbonylContact O-C 3.33Å
474P79.8Confident79.8Confident67 Ų6758 Ų5844%0.43532%0.318SS..PPolyproline II helixtrans-68.4141.6177.329.2-35.2000111.4V469V469-P474 WeakPolarHBondContact O-CA 3.38Å
475L84.3Confident80.2Confident33 Ų3355.6 Ų55.617%0.17329%0.293CS..EExtended strand (participates in β ladder)trans-95.1121.1178.1-63.3177.2000109.8E468 V469 E471 L497 L523E468-L475 CarbonylContact C-O 3.57Å; E468-L475 WeakPolarHBondContact CA-O 3.28Å; V469-L475 PolarHBondContact N-O 3.48Å; V469-L475 PolarHBondContact O-N 2.84Å; V469-L475 VanDerWaalsContact O-N 3.14Å; E471-L475 WeakPolarHBondContact OE2-CD1 3.36Å; L475-L497 HydrophobicContact CB-CD1 4.47Å; L475-L497 HydrophobicContact CB-CD2 4.11Å; L475-L497 HydrophobicContact CD1-CD1 4.09Å; L475-L523 HydrophobicContact CD1-CD2 4.05Å
476C87.4Confident80Confident24 Ų2459.5 Ų59.516%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-99.7144.3177.6-58.10000111.6V467 L497 E498V467-C476 WeakPolarHBondContact O-CA 3.3Å; C476-L497 WeakPolarHBondContact O-CA 3.37Å; C476-E498 PolarHBondContact O-N 2.95Å; C476-E498 VanDerWaalsContact O-N 3.09Å
477G86.5Confident79.5Confident1 Ų159.9 Ų59.91%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-174177.9179.100000114.4V467 E496V467-G477 PolarHBondContact N-O 3Å; V467-G477 PolarHBondContact O-N 3.14Å; G477-E496 CarbonylContact C-O 3.55Å; G477-E496 WeakPolarHBondContact CA-O 3.36Å
478V86.6Confident79.2Confident41 Ų4162.5 Ų62.525%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-102132.2178.3-178.10000109.6L466 R480 L495 E496L466-V478 HydrophobicContact CD2-CG2 3.78Å; V478-R480 PolarHBondContact O-N 3.37Å; V478-R480 VanDerWaalsContact O-N 3.16Å; V478-L495 CarbonylContact O-C 3.57Å; V478-L495 WeakPolarHBondContact O-CA 3.47Å; V478-E496 PolarHBondContact N-O 2.57Å; V478-E496 PolarHBondContact O-N 3.43Å
479I86.6Confident78.7Confident0 Ų069.8 Ų69.80%039%0.391CS..EExtended strand (participates in β ladder)trans-66.1114.3169.6-59.6-173.5000108.9L461 E462 V463 G464 S465 V467 W481 V482 A493 L495 L527L461-I479 HydrophobicContact CB-CD1 4.04Å; E462-I479 WeakPolarHBondContact O-CB 3.26Å; V463-I479 CarbonylContact C-O 3.55Å; V463-I479 WeakPolarHBondContact CA-O 3.23Å; V463-I479 HydrophobicContact CG2-CG2 4.4Å; G464-I479 PolarHBondContact N-O 2.93Å; S465-I479 PolarHBondContact O-N 3.45Å; V467-I479 HydrophobicContact CG1-CD1 4.03Å; V467-I479 HydrophobicContact CG1-CG1 4.23Å; V467-I479 HydrophobicContact CG2-CD1 4.17Å; V467-I479 HydrophobicContact CG2-CG1 3.62Å; I479-W481 WeakPolarHBondContact CG2-O 3.41Å; I479-V482 HydrophobicContact CG2-CG2 3.43Å; I479-V482 VanDerWaalsContact CG2-CG2 3.43Å; I479-A493 HydrophobicContact CD1-CB 4.28Å; I479-A493 HydrophobicContact CG2-CB 4.4Å; I479-L495 HydrophobicContact CG1-CD2 4.08Å; I479-L527 HydrophobicContact CD1-CD1 4.25Å
480R82.9Confident78.4Confident127 Ų12772.7 Ų72.748%0.47940%0.404SS..EExtended strand (participates in β ladder)trans-97.5-16.7174.9-68.5-59-158.4166.36.3113.6V478 G494 E496 F515V478-R480 PolarHBondContact O-N 3.37Å; V478-R480 VanDerWaalsContact O-N 3.16Å; R480-G494 PolarHBondContact N-O 3.44Å; R480-E496 HydrophobicContact CG-CB 3.67Å; R480-E496 IonicContact CZ-OE2 3.39Å; R480-E496 IonicContact NE-OE2 2.62Å; R480-E496 PolarHBondContact NE-OE2 3.3Å; R480-E496 IonicContact NH2-OE2 3.63Å; R480-E496 PolarHBondContact NH2-OE2 2.88Å; R480-F515 HydrophobicContact CB-CB 3.99Å; R480-F515 HydrophobicContact CB-CD1 4.04Å; R480-F515 HydrophobicContact CB-CD2 3.47Å; R480-F515 VanDerWaalsContact CB-CD2 3.47Å; R480-F515 HydrophobicContact CB-CE1 4.37Å; R480-F515 HydrophobicContact CB-CE2 3.82Å; R480-F515 HydrophobicContact CB-CG 3.59Å; R480-F515 HydrophobicContact CB-CZ 4.26Å; R480-F515 HydrophobicContact CG-CD2 3.82Å; R480-F515 HydrophobicContact CG-CE2 3.99Å; R480-F515 HydrophobicContact CG-CG 4.42Å
481W87.3Confident78.9Confident51 Ų5169 Ų6919%0.19339%0.394CS..EExtended strand (participates in β ladder)trans-154.6143.5-180-176.783.2000111.3I479 G483 P485 L492 A493 G494 Y514 F515 F524I479-W481 WeakPolarHBondContact CG2-O 3.41Å; W481-G483 VanDerWaalsContact CH2-CA 3.43Å; W481-P485 HydrophobicContact CH2-CG 3.81Å; W481-P485 HydrophobicContact CZ3-CG 4.03Å; W481-L492 HydrophobicContact CZ3-CB 4.37Å; W481-A493 CarbonylContact O-C 3.55Å; W481-A493 WeakPolarHBondContact O-CA 3.23Å; W481-G494 PolarHBondContact N-O 2.7Å; W481-G494 VanDerWaalsContact N-O 3.15Å; W481-G494 PolarHBondContact O-N 3.02Å; W481-Y514 HydrophobicContact CD2-CD1 4.03Å; W481-Y514 HydrophobicContact CD2-CG 4.26Å; W481-Y514 AromaticContact CE2-CD1 3.47Å; W481-Y514 VanDerWaalsContact CE2-CD1 3.47Å; W481-Y514 HydrophobicContact CE3-CD1 4.46Å; W481-Y514 AromaticContact CH2-CD1 3.87Å; W481-Y514 HydrophobicContact CH2-CD1 3.87Å; W481-Y514 AromaticContact CH2-CE1 3.96Å; W481-Y514 HydrophobicContact CH2-CE1 3.96Å; W481-Y514 AromaticContact CZ2-CD1 3.39Å; W481-Y514 HydrophobicContact CZ2-CD1 3.39Å; W481-Y514 AromaticContact CZ2-CE1 3.71Å; W481-Y514 HydrophobicContact CZ2-CE1 3.71Å; W481-Y514 HydrophobicContact CZ2-CG 4.34Å; W481-Y514 HydrophobicContact CZ3-CD1 4.39Å; W481-Y514 AromaticContact NE1-CD1 3.84Å; W481-F515 HydrophobicContact CB-CD1 3.95Å; W481-F524 HydrophobicContact CE3-CE1 4.12Å; W481-F524 HydrophobicContact CZ3-CE1 4.5Å
482V85.5Confident79.9Confident49 Ų4964.2 Ų64.230%0.29737%0.372SS..EExtended strand (participates in β ladder)trans-134.8132.9167.9-175.20000108.8V463 I479 L492 L527V463-V482 HydrophobicContact CG2-CB 4.47Å; V463-V482 HydrophobicContact CG2-CG2 4.08Å; I479-V482 HydrophobicContact CG2-CG2 3.43Å; I479-V482 VanDerWaalsContact CG2-CG2 3.43Å; V482-L492 WeakPolarHBondContact CA-O 3.34Å; V482-L527 HydrophobicContact CG1-CD1 4.38Å; V482-L527 HydrophobicContact CG1-CD2 4.17Å; V482-L527 HydrophobicContact CG2-CD1 4.43Å
483G82.7Confident81.6Confident19 Ų1956.2 Ų56.220%0.19633%0.33CS..EExtended strand (participates in β ladder)trans173.3-170.5177.100000114.1W481 P491 L492W481-G483 VanDerWaalsContact CH2-CA 3.43Å; G483-P491 CarbonylContact O-C 3.52Å; G483-P491 VanDerWaalsContact O-CA 3.24Å; G483-P491 WeakPolarHBondContact O-CA 3.46Å; G483-L492 PolarHBondContact N-O 2.94Å; G483-L492 VanDerWaalsContact N-O 3.09Å; G483-L492 PolarHBondContact O-N 3.43Å
484L85.4Confident82.8Confident102 Ų10251.2 Ų51.253%0.53430%0.297SS..  trans-112.2102.1-179.5-171.468.6000110.2L488 E490L484-L488 HydrophobicContact CD1-CB 4.34Å; L484-L488 WeakPolarHBondContact CD1-O 3.04Å; L484-E490 VanDerWaalsContact CD1-C 3.43Å; L484-E490 WeakPolarHBondContact CD1-O 3.46Å
485P81Confident83.3Confident2 Ų248 Ų481%0.01328%0.276CS..  trans-63.3147.6177-22.233.8000111.8W481 G487 L488 L492 F509W481-P485 HydrophobicContact CH2-CG 3.81Å; W481-P485 HydrophobicContact CZ3-CG 4.03Å; P485-G487 PolarHBondContact O-N 3.12Å; P485-L488 HydrophobicContact CB-CD1 4.14Å; P485-L488 HydrophobicContact CG-CD1 4.01Å; P485-L488 PolarHBondContact O-N 2.81Å; P485-L488 VanDerWaalsContact O-N 3.17Å; P485-L492 HydrophobicContact CG-CD1 4.05Å; P485-L492 HydrophobicContact CG-CG 4.23Å; P485-F509 HydrophobicContact CB-CD1 4.11Å; P485-F509 HydrophobicContact CB-CE1 4.01Å; P485-F509 HydrophobicContact CG-CD1 4.12Å; P485-F509 HydrophobicContact CG-CE1 4.01Å
486P73.4Confident83.7Confident106 Ų10648.2 Ų48.269%0.68828%0.276SS*.THydrogen-bonded Turntrans-52.1129.5175.6-2836000112.6Y514P486-Y514 WeakPolarHBondContact CD-OH 3.21Å
487G70.8Confident83.7Confident77 Ų7747.3 Ų47.379%0.79427%0.27SS*.THydrogen-bonded Turntrans78.824.1-178.400000115.4P485P485-G487 PolarHBondContact O-N 3.12Å
488L78.9Confident83.6Confident56 Ų5651.7 Ų51.729%0.29329%0.29SS..  trans-123.9158.4166.9-71176.9000111.5L484 P485 L492 F509L484-L488 HydrophobicContact CD1-CB 4.34Å; L484-L488 WeakPolarHBondContact CD1-O 3.04Å; P485-L488 HydrophobicContact CB-CD1 4.14Å; P485-L488 HydrophobicContact CG-CD1 4.01Å; P485-L488 PolarHBondContact O-N 2.81Å; P485-L488 VanDerWaalsContact O-N 3.17Å; L488-L492 HydrophobicContact CD1-CD1 3.71Å; L488-L492 HydrophobicContact CD1-CD2 4.44Å; L488-L492 HydrophobicContact CD1-CG 4.04Å; L488-F509 HydrophobicContact CD1-CE1 3.97Å; L488-F509 HydrophobicContact CD1-CZ 4.14Å
489L75.5Confident83.4Confident175 Ų17557.4 Ų57.492%0.91631%0.314SS*.SBendtrans-113.1-3.3-179-64.2175.1000113.7
490E78.3Confident83.4Confident70 Ų7062.7 Ų62.733%0.32734%0.339SS..SBendtrans-129.6139.2176.4-62-168.2106.400109.6L484 K526 K528L484-E490 VanDerWaalsContact CD1-C 3.43Å; L484-E490 WeakPolarHBondContact CD1-O 3.46Å; E490-K526 WeakPolarHBondContact OE2-CD 3.46Å; E490-K526 WeakPolarHBondContact OE2-CE 3.34Å; E490-K526 IonicContact OE2-NZ 3.98Å; E490-K526 PolarHBondContact OE2-NZ 2.84Å; E490-K528 IonicContact OE1-NZ 2.61Å; E490-K528 PolarHBondContact OE1-NZ 3.11Å; E490-K528 IonicContact OE2-NZ 3.45Å; E490-K528 PolarHBondContact OE2-NZ 2.85Å
491P80.4Confident83.2Confident65 Ų6557.7 Ų57.742%0.42232%0.323SS..  trans-67.9141.3179.628.3-34.6000111.8G483 L527G483-P491 CarbonylContact O-C 3.52Å; G483-P491 VanDerWaalsContact O-CA 3.24Å; G483-P491 WeakPolarHBondContact O-CA 3.46Å; P491-L527 PolarHBondContact O-N 3Å
492L87.9Confident82.6Confident11 Ų1161.3 Ų61.36%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-105148.6173.6-55.1-168.6000110.7W481 V482 G483 P485 L488 F509 F524 V525 K526W481-L492 HydrophobicContact CZ3-CB 4.37Å; V482-L492 WeakPolarHBondContact CA-O 3.34Å; G483-L492 PolarHBondContact N-O 2.94Å; G483-L492 VanDerWaalsContact N-O 3.09Å; G483-L492 PolarHBondContact O-N 3.43Å; P485-L492 HydrophobicContact CG-CD1 4.05Å; P485-L492 HydrophobicContact CG-CG 4.23Å; L488-L492 HydrophobicContact CD1-CD1 3.71Å; L488-L492 HydrophobicContact CD1-CD2 4.44Å; L488-L492 HydrophobicContact CD1-CG 4.04Å; L492-F509 HydrophobicContact CD1-CE1 3.91Å; L492-F509 HydrophobicContact CD1-CE2 4.09Å; L492-F509 HydrophobicContact CD1-CZ 3.62Å; L492-F524 HydrophobicContact CD1-CB 4.29Å; L492-V525 CarbonylContact C-O 3.14Å; L492-V525 WeakPolarHBondContact CA-O 3.1Å; L492-V525 WeakPolarHBondContact CB-O 3.37Å; L492-K526 HydrophobicContact CD2-CB 4.39Å; L492-K526 HydrophobicContact CD2-CG 3.83Å
493A87.8Confident82Confident0 Ų062.7 Ų62.70%038%0.378CS..EExtended strand (participates in β ladder)trans-96.2129.5160.300000108.7I479 W481 F524 V525 L527I479-A493 HydrophobicContact CD1-CB 4.28Å; I479-A493 HydrophobicContact CG2-CB 4.4Å; W481-A493 CarbonylContact O-C 3.55Å; W481-A493 WeakPolarHBondContact O-CA 3.23Å; A493-F524 WeakPolarHBondContact O-CA 3.33Å; A493-V525 PolarHBondContact N-O 3.02Å; A493-V525 PolarHBondContact O-N 2.88Å; A493-L527 HydrophobicContact CB-CD1 3.96Å
494G90.4Very high82.1Confident0 Ų062.5 Ų62.50%037%0.373CS..EExtended strand (participates in β ladder)trans-92.8119165.500000109.2R480 W481R480-G494 PolarHBondContact N-O 3.44Å; W481-G494 PolarHBondContact N-O 2.7Å; W481-G494 VanDerWaalsContact N-O 3.15Å; W481-G494 PolarHBondContact O-N 3.02Å
495L90.4Very high82.3Confident0 Ų060 Ų600%036%0.362CS..EExtended strand (participates in β ladder)trans-107.7137.8-174.1-62.2144.2000110V467 V469 V478 I479 L497 F515 A522 L523 V525V467-L495 HydrophobicContact CG2-CD2 3.19Å; V469-L495 HydrophobicContact CG2-CD1 3.65Å; V478-L495 CarbonylContact O-C 3.57Å; V478-L495 WeakPolarHBondContact O-CA 3.47Å; I479-L495 HydrophobicContact CG1-CD2 4.08Å; L495-L497 HydrophobicContact CB-CD2 4.33Å; L495-F515 WeakPolarHBondContact O-CZ 3.38Å; L495-A522 CarbonylContact O-C 3.52Å; L495-A522 VanDerWaalsContact O-CA 3.25Å; L495-A522 WeakPolarHBondContact O-CA 3.49Å; L495-L523 HydrophobicContact CB-CB 4.31Å; L495-L523 WeakPolarHBondContact CB-O 3.38Å; L495-L523 HydrophobicContact CD1-CB 4.18Å; L495-L523 HydrophobicContact CD1-CD2 4.12Å; L495-L523 HydrophobicContact CD1-CG 4.25Å; L495-L523 PolarHBondContact N-O 2.92Å; L495-L523 PolarHBondContact O-N 3.05Å; L495-V525 HydrophobicContact CD1-CB 4.43Å; L495-V525 HydrophobicContact CD1-CG1 4.01Å; L495-V525 HydrophobicContact CD1-CG2 3.64Å
496E91.7Very high82.6Confident36 Ų3662.1 Ų62.117%0.16837%0.373CS..EExtended strand (participates in β ladder)trans-96.5112.7158.9-178.9173.6-156.800109G477 V478 R480 F515 C517 P518 K521G477-E496 CarbonylContact C-O 3.55Å; G477-E496 WeakPolarHBondContact CA-O 3.36Å; V478-E496 PolarHBondContact N-O 2.57Å; V478-E496 PolarHBondContact O-N 3.43Å; R480-E496 HydrophobicContact CG-CB 3.67Å; R480-E496 IonicContact CZ-OE2 3.39Å; R480-E496 IonicContact NE-OE2 2.62Å; R480-E496 PolarHBondContact NE-OE2 3.3Å; R480-E496 IonicContact NH2-OE2 3.63Å; R480-E496 PolarHBondContact NH2-OE2 2.88Å; E496-F515 HydrophobicContact CB-CE2 4.29Å; E496-C517 HydrophobicContact CB-CB 4.34Å; E496-C517 HydrophobicContact CG-CB 3.77Å; E496-C517 VanDerWaalsContact OE1-CB 3.25Å; E496-C517 WeakPolarHBondContact OE1-CB 3.46Å; E496-P518 WeakPolarHBondContact OE1-CD 3.38Å; E496-K521 WeakPolarHBondContact CA-O 3.34Å; E496-K521 HydrophobicContact CG-CB 4.39Å
497L88.4Confident83.1Confident6 Ų657.1 Ų57.13%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-77.5149.4-179.5-59.3-177.3000112.1L475 C476 L495 E499 C501 K521 L523L475-L497 HydrophobicContact CB-CD1 4.47Å; L475-L497 HydrophobicContact CB-CD2 4.11Å; L475-L497 HydrophobicContact CD1-CD1 4.09Å; C476-L497 WeakPolarHBondContact O-CA 3.37Å; L495-L497 HydrophobicContact CB-CD2 4.33Å; L497-E499 WeakPolarHBondContact CB-O 3.04Å; L497-C501 HydrophobicContact CD1-CB 3.75Å; L497-K521 PolarHBondContact N-O 2.93Å; L497-K521 WeakPolarHBondContact O-CD 3.28Å; L497-L523 HydrophobicContact CD1-CB 4.07Å; L497-L523 HydrophobicContact CD1-CD2 4.37Å; L497-L523 HydrophobicContact CD2-CB 4.31Å; L497-L523 HydrophobicContact CD2-CD2 4.37Å; L497-L523 HydrophobicContact CG-CB 4.17Å
498E84.5Confident83.9Confident92 Ų9255.1 Ų55.143%0.4331%0.313SS..SBendtrans-66.5-39.3175.8-67.2-176.517000112.2C476 K521 R535C476-E498 PolarHBondContact O-N 2.95Å; C476-E498 VanDerWaalsContact O-N 3.09Å; E498-K521 PolarHBondContact O-NZ 3.35Å; E498-R535 IonicContact OE1-CZ 2.64Å; E498-R535 IonicContact OE1-NH1 2.79Å; E498-R535 IonicContact OE1-NH2 2.64Å; E498-R535 PolarHBondContact OE1-NH2 3.23Å; E498-R535 IonicContact OE2-CZ 3.44Å; E498-R535 IonicContact OE2-NH1 2.68Å; E498-R535 PolarHBondContact OE2-NH1 2.86Å; E498-R535 IonicContact OE2-NH2 3.36Å; E498-R535 PolarHBondContact OE2-NH2 2.8Å; E498-R535 VanDerWaalsContact OE2-NH2 3.12Å
499E82.1Confident84.2Confident161 Ų16154.6 Ų54.675%0.75231%0.309SS*.SBendtrans-108.3159.1179-61.3-167.9165.900112.3L497L497-E499 WeakPolarHBondContact CB-O 3.04Å
500E85.5Confident84.6Confident111 Ų11153.5 Ų53.552%0.51930%0.296SS..  trans-76.2121.8174.2-75.8-173.6-14200111.1K520 K521E500-K520 HydrophobicContact CB-CB 4.2Å; E500-K520 HydrophobicContact CG-CB 4.27Å; E500-K520 IonicContact OE2-NZ 3.09Å; E500-K520 PolarHBondContact OE2-NZ 3.01Å; E500-K521 HydrophobicContact CG-CG 4.26Å
501C79.6Confident84.6Confident23 Ų2353.8 Ų53.816%0.15532%0.318CS..  trans-111.6132.1-177.9-179.90000112L497 G503 C504 K520L497-C501 HydrophobicContact CD1-CB 3.75Å; C501-G503 PolarHBondContact O-N 2.8Å; C501-C504 HydrophobicContact CB-CB 4.38Å; C501-C504 WeakPolarHBondContact O-CB 3.5Å; C501-C504 PolarHBondContact O-N 2.87Å; C501-C504 VanDerWaalsContact O-N 3.13Å; C501-K520 PolarHBondContact N-O 2.72Å
502P73.3Confident84.7Confident126 Ų12654.1 Ų54.182%0.81832%0.319SS*.THydrogen-bonded Turntrans-58.5118.9177.4-24.834.7000113
503G74.6Confident84.7Confident79 Ų7959.3 Ų59.381%0.81434%0.338SS*.THydrogen-bonded Turntrans98.8-7.3-179.300000115C501C501-G503 PolarHBondContact O-N 2.8Å
504C85.1Confident84.6Confident15 Ų1561.6 Ų61.610%0.10135%0.347CS..  trans-72.3159.4168.9-72.70000112.2C501 K520 A522C501-C504 HydrophobicContact CB-CB 4.38Å; C501-C504 WeakPolarHBondContact O-CB 3.5Å; C501-C504 PolarHBondContact O-N 2.87Å; C501-C504 VanDerWaalsContact O-N 3.13Å; C504-K520 VanDerWaalsContact CB-C 3.5Å; C504-K520 VanDerWaalsContact CB-O 3.27Å; C504-K520 WeakPolarHBondContact CB-O 3.29Å; C504-K520 WeakPolarHBondContact O-CA 3.39Å; C504-A522 CarbonylContact C-O 3.46Å; C504-A522 VanDerWaalsContact CA-O 3.29Å; C504-A522 WeakPolarHBondContact CA-O 3.35Å; C504-A522 WeakPolarHBondContact CB-O 3.37Å
505T88.3Confident84.5Confident48 Ų4862.7 Ų62.729%0.29435%0.352SS..BIsolated β-bridgetrans-108.5-159.9-176.1710000112T508 K520 K521 A522T505-T508 WeakPolarHBondContact CB-O 3.35Å; T505-T508 WeakPolarHBondContact CG2-O 3.42Å; T505-T508 PolarHBondContact OG1-N 3.25Å; T505-T508 PolarHBondContact OG1-O 3.48Å; T505-K520 WeakPolarHBondContact O-CA 3.05Å; T505-K520 PolarHBondContact O-N 3.33Å; T505-K521 PolarHBondContact O-N 3.34Å; T505-K521 VanDerWaalsContact O-N 3.09Å; T505-A522 PolarHBondContact N-O 3.14Å; T505-A522 PolarHBondContact O-N 2.84Å; T505-A522 WeakPolarHBondContact OG1-CB 3.34Å
506D87.8Confident84.3Confident48 Ų4867.5 Ų67.526%0.25738%0.381SS..SBendtrans-113.820.9-179.771.2-36.9000112.9T508 R513 C517D506-T508 WeakPolarHBondContact OD1-CB 3.4Å; D506-T508 VanDerWaalsContact OD1-CG2 3.26Å; D506-T508 WeakPolarHBondContact OD1-CG2 3.09Å; D506-T508 PolarHBondContact OD1-OG1 2.77Å; D506-R513 PolarHBondContact O-NH1 3.49Å; D506-R513 IonicContact OD2-CZ 2.64Å; D506-R513 IonicContact OD2-NH1 2.68Å; D506-R513 PolarHBondContact OD2-NH1 3.33Å; D506-R513 IonicContact OD2-NH2 2.88Å; D506-R513 PolarHBondContact OD2-NH2 2.75Å; D506-C517 VanDerWaalsContact C-SG 3.51Å; D506-C517 PolarHBondContact O-N 2.64Å
507G84.5Confident84.1Confident0 Ų066.5 Ų66.50%038%0.378CS..SBendtrans103.56.7-172.800000113.7Y514 F515G507-Y514 PolarHBondContact O-N 3.16Å; G507-F515 CarbonylContact C-O 3.57Å; G507-F515 WeakPolarHBondContact CA-O 3.43Å; G507-F515 PolarHBondContact O-N 3.37Å
508T86.9Confident84Confident35 Ų3569.3 Ų69.322%0.21540%0.397CS..EExtended strand (participates in β ladder)trans-99.1143.917755.50000113T505 D506 T512 R513 F524T505-T508 WeakPolarHBondContact CB-O 3.35Å; T505-T508 WeakPolarHBondContact CG2-O 3.42Å; T505-T508 PolarHBondContact OG1-N 3.25Å; T505-T508 PolarHBondContact OG1-O 3.48Å; D506-T508 WeakPolarHBondContact OD1-CB 3.4Å; D506-T508 VanDerWaalsContact OD1-CG2 3.26Å; D506-T508 WeakPolarHBondContact OD1-CG2 3.09Å; D506-T508 PolarHBondContact OD1-OG1 2.77Å; T508-T512 CarbonylContact C-O 3.59Å; T508-T512 VanDerWaalsContact CA-O 3.29Å; T508-T512 WeakPolarHBondContact CA-O 3.4Å; T508-R513 HydrophobicContact CG2-CB 4.01Å; T508-R513 HydrophobicContact CG2-CG 4.33Å; T508-F524 WeakPolarHBondContact O-CE2 3.45Å
509F85.3Confident84Confident46 Ų4669.1 Ų69.120%0.20240%0.403CS..EExtended strand (participates in β ladder)trans-140.4125.8174.1179.2-100.6000110.2P485 L488 L492 G511 T512 Y514 F524P485-F509 HydrophobicContact CB-CD1 4.11Å; P485-F509 HydrophobicContact CB-CE1 4.01Å; P485-F509 HydrophobicContact CG-CD1 4.12Å; P485-F509 HydrophobicContact CG-CE1 4.01Å; L488-F509 HydrophobicContact CD1-CE1 3.97Å; L488-F509 HydrophobicContact CD1-CZ 4.14Å; L492-F509 HydrophobicContact CD1-CE1 3.91Å; L492-F509 HydrophobicContact CD1-CE2 4.09Å; L492-F509 HydrophobicContact CD1-CZ 3.62Å; F509-G511 PolarHBondContact O-N 2.93Å; F509-G511 VanDerWaalsContact O-N 3.12Å; F509-T512 PolarHBondContact N-O 3.34Å; F509-T512 PolarHBondContact O-N 3.28Å; F509-T512 VanDerWaalsContact O-N 3.08Å; F509-Y514 HydrophobicContact CB-CD2 3.94Å; F509-Y514 HydrophobicContact CB-CE2 3.78Å; F509-Y514 HydrophobicContact CD1-CE2 4.36Å; F509-F524 HydrophobicContact CB-CD1 3.91Å; F509-F524 HydrophobicContact CB-CD2 3.85Å; F509-F524 HydrophobicContact CB-CE1 3.83Å; F509-F524 HydrophobicContact CB-CE2 3.78Å; F509-F524 HydrophobicContact CB-CG 3.92Å; F509-F524 HydrophobicContact CB-CZ 3.76Å; F509-F524 HydrophobicContact CD2-CB 3.66Å; F509-F524 HydrophobicContact CD2-CD1 4.27Å; F509-F524 HydrophobicContact CD2-CD2 4.07Å; F509-F524 AromaticContact CD2-CG 3.75Å; F509-F524 HydrophobicContact CD2-CG 3.75Å; F509-F524 HydrophobicContact CE2-CB 3.98Å; F509-F524 HydrophobicContact CG-CB 4.35Å; F509-F524 HydrophobicContact CG-CD1 4.11Å; F509-F524 HydrophobicContact CG-CD2 4.33Å; F509-F524 HydrophobicContact CG-CE1 4.48Å; F509-F524 HydrophobicContact CG-CG 4.02Å
510K83.1Confident84.2Confident151 Ų15166.5 Ų66.566%0.65739%0.39SS*.THydrogen-bonded Turntrans50.131-174.8-62.7-176.7177.1-178.60114.7
511G79.8Confident84.4Confident77 Ų7763.5 Ų63.579%0.79438%0.375SS*.THydrogen-bonded Turntrans91.5-11.5179.700000115.5F509F509-G511 PolarHBondContact O-N 2.93Å; F509-G511 VanDerWaalsContact O-N 3.12Å
512T81.8Confident84.9Confident72 Ų7262.4 Ų62.444%0.44237%0.368SS..EExtended strand (participates in β ladder)trans-93.6137.9173.2-55.80000110.1T508 F509 Y514T508-T512 CarbonylContact C-O 3.59Å; T508-T512 VanDerWaalsContact CA-O 3.29Å; T508-T512 WeakPolarHBondContact CA-O 3.4Å; F509-T512 PolarHBondContact N-O 3.34Å; F509-T512 PolarHBondContact O-N 3.28Å; F509-T512 VanDerWaalsContact O-N 3.08Å; T512-Y514 HydrophobicContact CG2-CD2 4.45Å; T512-Y514 HydrophobicContact CG2-CE1 4.16Å; T512-Y514 HydrophobicContact CG2-CE2 3.84Å; T512-Y514 WeakPolarHBondContact O-CD2 3.34Å; T512-Y514 WeakPolarHBondContact O-CE2 3.4Å
513R88.6Confident85.7Confident120 Ų12058 Ų5845%0.45334%0.337SS..EExtended strand (participates in β ladder)trans-85.1131.6171.1-174176.4-71.4-74.1-3.9110.1D506 T508 F515 T516D506-R513 PolarHBondContact O-NH1 3.49Å; D506-R513 IonicContact OD2-CZ 2.64Å; D506-R513 IonicContact OD2-NH1 2.68Å; D506-R513 PolarHBondContact OD2-NH1 3.33Å; D506-R513 IonicContact OD2-NH2 2.88Å; D506-R513 PolarHBondContact OD2-NH2 2.75Å; T508-R513 HydrophobicContact CG2-CB 4.01Å; T508-R513 HydrophobicContact CG2-CG 4.33Å; R513-F515 WeakPolarHBondContact CG-O 3.43Å; R513-F515 PolarHBondContact NH1-O 3.47Å; R513-T516 PolarHBondContact NH1-OG1 3.34Å
514Y84.2Confident86.4Confident47 Ų4755.6 Ų55.618%0.18430%0.304CS..SBendtrans-116.5-27.8177.6-63.6-87.1000112.6W481 P486 G507 F509 T512 F524W481-Y514 HydrophobicContact CD2-CD1 4.03Å; W481-Y514 HydrophobicContact CD2-CG 4.26Å; W481-Y514 AromaticContact CE2-CD1 3.47Å; W481-Y514 VanDerWaalsContact CE2-CD1 3.47Å; W481-Y514 HydrophobicContact CE3-CD1 4.46Å; W481-Y514 AromaticContact CH2-CD1 3.87Å; W481-Y514 HydrophobicContact CH2-CD1 3.87Å; W481-Y514 AromaticContact CH2-CE1 3.96Å; W481-Y514 HydrophobicContact CH2-CE1 3.96Å; W481-Y514 AromaticContact CZ2-CD1 3.39Å; W481-Y514 HydrophobicContact CZ2-CD1 3.39Å; W481-Y514 AromaticContact CZ2-CE1 3.71Å; W481-Y514 HydrophobicContact CZ2-CE1 3.71Å; W481-Y514 HydrophobicContact CZ2-CG 4.34Å; W481-Y514 HydrophobicContact CZ3-CD1 4.39Å; W481-Y514 AromaticContact NE1-CD1 3.84Å; P486-Y514 WeakPolarHBondContact CD-OH 3.21Å; G507-Y514 PolarHBondContact O-N 3.16Å; F509-Y514 HydrophobicContact CB-CD2 3.94Å; F509-Y514 HydrophobicContact CB-CE2 3.78Å; F509-Y514 HydrophobicContact CD1-CE2 4.36Å; T512-Y514 HydrophobicContact CG2-CD2 4.45Å; T512-Y514 HydrophobicContact CG2-CE1 4.16Å; T512-Y514 HydrophobicContact CG2-CE2 3.84Å; T512-Y514 WeakPolarHBondContact O-CD2 3.34Å; T512-Y514 WeakPolarHBondContact O-CE2 3.4Å; Y514-F524 AromaticContact CD2-CE1 3.91Å; Y514-F524 HydrophobicContact CD2-CE1 3.91Å; Y514-F524 AromaticContact CD2-CZ 3.96Å; Y514-F524 HydrophobicContact CD2-CZ 3.96Å; Y514-F524 HydrophobicContact CG-CE1 4.14Å; Y514-F524 HydrophobicContact CG-CZ 4.36Å
515F88.6Confident86.6Confident23 Ų2356 Ų5610%0.10131%0.306CS..  trans-150-172.716861.2-80.8000109.3R480 W481 L495 E496 G507 R513 C517 A522 F524R480-F515 HydrophobicContact CB-CB 3.99Å; R480-F515 HydrophobicContact CB-CD1 4.04Å; R480-F515 HydrophobicContact CB-CD2 3.47Å; R480-F515 VanDerWaalsContact CB-CD2 3.47Å; R480-F515 HydrophobicContact CB-CE1 4.37Å; R480-F515 HydrophobicContact CB-CE2 3.82Å; R480-F515 HydrophobicContact CB-CG 3.59Å; R480-F515 HydrophobicContact CB-CZ 4.26Å; R480-F515 HydrophobicContact CG-CD2 3.82Å; R480-F515 HydrophobicContact CG-CE2 3.99Å; R480-F515 HydrophobicContact CG-CG 4.42Å; W481-F515 HydrophobicContact CB-CD1 3.95Å; L495-F515 WeakPolarHBondContact O-CZ 3.38Å; E496-F515 HydrophobicContact CB-CE2 4.29Å; G507-F515 CarbonylContact C-O 3.57Å; G507-F515 WeakPolarHBondContact CA-O 3.43Å; G507-F515 PolarHBondContact O-N 3.37Å; R513-F515 WeakPolarHBondContact CG-O 3.43Å; R513-F515 PolarHBondContact NH1-O 3.47Å; F515-C517 HydrophobicContact CD2-CB 4.3Å; F515-C517 HydrophobicContact CE2-CB 4.09Å; F515-A522 HydrophobicContact CE1-CB 4.31Å; F515-A522 HydrophobicContact CE2-CB 3.84Å; F515-A522 HydrophobicContact CZ-CB 3.44Å; F515-A522 VanDerWaalsContact CZ-CB 3.44Å; F515-F524 HydrophobicContact CD1-CZ 4.02Å; F515-F524 HydrophobicContact CE1-CE1 4.1Å; F515-F524 AromaticContact CE1-CE2 3.84Å; F515-F524 HydrophobicContact CE1-CE2 3.84Å; F515-F524 AromaticContact CE1-CZ 3.46Å; F515-F524 HydrophobicContact CE1-CZ 3.46Å; F515-F524 VanDerWaalsContact CE1-CZ 3.46Å; F515-F524 HydrophobicContact CZ-CE2 4.39Å; F515-F524 HydrophobicContact CZ-CZ 4.42Å
516T87.5Confident86.5Confident101 Ų10158 Ų5862%0.6231%0.311SS*.  trans-133.2131.1174.5-61.40000109.2R513R513-T516 PolarHBondContact NH1-OG1 3.34Å
517C86.6Confident86Confident16 Ų1657.7 Ų57.711%0.10831%0.309CS..  trans-147.1174.3173.765.90000109.7E496 D506 F515 A522E496-C517 HydrophobicContact CB-CB 4.34Å; E496-C517 HydrophobicContact CG-CB 3.77Å; E496-C517 VanDerWaalsContact OE1-CB 3.25Å; E496-C517 WeakPolarHBondContact OE1-CB 3.46Å; D506-C517 VanDerWaalsContact C-SG 3.51Å; D506-C517 PolarHBondContact O-N 2.64Å; F515-C517 HydrophobicContact CD2-CB 4.3Å; F515-C517 HydrophobicContact CE2-CB 4.09Å; C517-A522 VanDerWaalsContact SG-CB 3.6Å
518P86.9Confident85.8Confident64 Ų6463 Ų6342%0.41633%0.332SS..SBendtrans-58150.4171.3-22.834.7000111.9E496 K521E496-P518 WeakPolarHBondContact OE1-CD 3.38Å; P518-K521 HydrophobicContact CB-CD 4.08Å; P518-K521 HydrophobicContact CB-CG 4.39Å; P518-K521 HydrophobicContact CG-CD 4.18Å; P518-K521 WeakPolarHBondContact O-CB 3.43Å; P518-K521 PolarHBondContact O-N 2.69Å
519P84.9Confident85.4Confident88 Ų8864.2 Ų64.257%0.57134%0.341SS*.THydrogen-bonded Turntrans-60.8143.9-179.226.7-35.3000111.5K521P519-K521 VanDerWaalsContact C-N 3.29Å; P519-K521 PolarHBondContact O-N 3.35Å
520K85.8Confident85.2Confident106 Ų10662.3 Ų62.346%0.46133%0.334SS..THydrogen-bonded Turntrans66.718.3-174.4-40.5-172.4-145.1115.70115.7E500 C501 C504 T505E500-K520 HydrophobicContact CB-CB 4.2Å; E500-K520 HydrophobicContact CG-CB 4.27Å; E500-K520 IonicContact OE2-NZ 3.09Å; E500-K520 PolarHBondContact OE2-NZ 3.01Å; C501-K520 PolarHBondContact N-O 2.72Å; C504-K520 VanDerWaalsContact CB-C 3.5Å; C504-K520 VanDerWaalsContact CB-O 3.27Å; C504-K520 WeakPolarHBondContact CB-O 3.29Å; C504-K520 WeakPolarHBondContact O-CA 3.39Å; T505-K520 WeakPolarHBondContact O-CA 3.05Å; T505-K520 PolarHBondContact O-N 3.33Å
521K90.2Very high84.9Confident48 Ų4861.3 Ų61.321%0.20933%0.326CS..  trans-110.4-12.2174.4-64.9-163.2165-155.40115E496 L497 E498 E500 T505 P518 P519E496-K521 WeakPolarHBondContact CA-O 3.34Å; E496-K521 HydrophobicContact CG-CB 4.39Å; L497-K521 PolarHBondContact N-O 2.93Å; L497-K521 WeakPolarHBondContact O-CD 3.28Å; E498-K521 PolarHBondContact O-NZ 3.35Å; E500-K521 HydrophobicContact CG-CG 4.26Å; T505-K521 PolarHBondContact O-N 3.34Å; T505-K521 VanDerWaalsContact O-N 3.09Å; P518-K521 HydrophobicContact CB-CD 4.08Å; P518-K521 HydrophobicContact CB-CG 4.39Å; P518-K521 HydrophobicContact CG-CD 4.18Å; P518-K521 WeakPolarHBondContact O-CB 3.43Å; P518-K521 PolarHBondContact O-N 2.69Å; P519-K521 VanDerWaalsContact C-N 3.29Å; P519-K521 PolarHBondContact O-N 3.35Å
522A89.9Confident84.8Confident1 Ų160.1 Ų60.11%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-87.3120.8176.200000113.3L495 C504 T505 F515 C517 F524L495-A522 CarbonylContact O-C 3.52Å; L495-A522 VanDerWaalsContact O-CA 3.25Å; L495-A522 WeakPolarHBondContact O-CA 3.49Å; C504-A522 CarbonylContact C-O 3.46Å; C504-A522 VanDerWaalsContact CA-O 3.29Å; C504-A522 WeakPolarHBondContact CA-O 3.35Å; C504-A522 WeakPolarHBondContact CB-O 3.37Å; T505-A522 PolarHBondContact N-O 3.14Å; T505-A522 PolarHBondContact O-N 2.84Å; T505-A522 WeakPolarHBondContact OG1-CB 3.34Å; F515-A522 HydrophobicContact CE1-CB 4.31Å; F515-A522 HydrophobicContact CE2-CB 3.84Å; F515-A522 HydrophobicContact CZ-CB 3.44Å; F515-A522 VanDerWaalsContact CZ-CB 3.44Å; C517-A522 VanDerWaalsContact SG-CB 3.6Å; A522-F524 HydrophobicContact CB-CE2 4.24Å
523L90.2Very high84.5Confident33 Ų3356.9 Ų56.917%0.17328%0.284CS..EExtended strand (participates in β ladder)trans-115.4136.2171.3-175.565.9000110L475 L495 L497 V525L475-L523 HydrophobicContact CD1-CD2 4.05Å; L495-L523 HydrophobicContact CB-CB 4.31Å; L495-L523 WeakPolarHBondContact CB-O 3.38Å; L495-L523 HydrophobicContact CD1-CB 4.18Å; L495-L523 HydrophobicContact CD1-CD2 4.12Å; L495-L523 HydrophobicContact CD1-CG 4.25Å; L495-L523 PolarHBondContact N-O 2.92Å; L495-L523 PolarHBondContact O-N 3.05Å; L497-L523 HydrophobicContact CD1-CB 4.07Å; L497-L523 HydrophobicContact CD1-CD2 4.37Å; L497-L523 HydrophobicContact CD2-CB 4.31Å; L497-L523 HydrophobicContact CD2-CD2 4.37Å; L497-L523 HydrophobicContact CG-CB 4.17Å; L523-V525 HydrophobicContact CD1-CG1 4.46Å; L523-V525 HydrophobicContact CD2-CG1 3.77Å; L523-V525 HydrophobicContact CG-CG1 3.76Å
524F89.6Confident83.8Confident29 Ų2955.7 Ų55.713%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-115109.9176.8-74.5-100.6000110.2W481 L492 A493 T508 F509 Y514 F515 A522W481-F524 HydrophobicContact CE3-CE1 4.12Å; W481-F524 HydrophobicContact CZ3-CE1 4.5Å; L492-F524 HydrophobicContact CD1-CB 4.29Å; A493-F524 WeakPolarHBondContact O-CA 3.33Å; T508-F524 WeakPolarHBondContact O-CE2 3.45Å; F509-F524 HydrophobicContact CB-CD1 3.91Å; F509-F524 HydrophobicContact CB-CD2 3.85Å; F509-F524 HydrophobicContact CB-CE1 3.83Å; F509-F524 HydrophobicContact CB-CE2 3.78Å; F509-F524 HydrophobicContact CB-CG 3.92Å; F509-F524 HydrophobicContact CB-CZ 3.76Å; F509-F524 HydrophobicContact CD2-CB 3.66Å; F509-F524 HydrophobicContact CD2-CD1 4.27Å; F509-F524 HydrophobicContact CD2-CD2 4.07Å; F509-F524 AromaticContact CD2-CG 3.75Å; F509-F524 HydrophobicContact CD2-CG 3.75Å; F509-F524 HydrophobicContact CE2-CB 3.98Å; F509-F524 HydrophobicContact CG-CB 4.35Å; F509-F524 HydrophobicContact CG-CD1 4.11Å; F509-F524 HydrophobicContact CG-CD2 4.33Å; F509-F524 HydrophobicContact CG-CE1 4.48Å; F509-F524 HydrophobicContact CG-CG 4.02Å; Y514-F524 AromaticContact CD2-CE1 3.91Å; Y514-F524 HydrophobicContact CD2-CE1 3.91Å; Y514-F524 AromaticContact CD2-CZ 3.96Å; Y514-F524 HydrophobicContact CD2-CZ 3.96Å; Y514-F524 HydrophobicContact CG-CE1 4.14Å; Y514-F524 HydrophobicContact CG-CZ 4.36Å; F515-F524 HydrophobicContact CD1-CZ 4.02Å; F515-F524 HydrophobicContact CE1-CE1 4.1Å; F515-F524 AromaticContact CE1-CE2 3.84Å; F515-F524 HydrophobicContact CE1-CE2 3.84Å; F515-F524 AromaticContact CE1-CZ 3.46Å; F515-F524 HydrophobicContact CE1-CZ 3.46Å; F515-F524 VanDerWaalsContact CE1-CZ 3.46Å; F515-F524 HydrophobicContact CZ-CE2 4.39Å; F515-F524 HydrophobicContact CZ-CZ 4.42Å; A522-F524 HydrophobicContact CB-CE2 4.24Å
525V87.7Confident83.2Confident23 Ų2359 Ų5914%0.13931%0.306CS..EExtended strand (participates in β ladder)trans-122.2165.4-179.5-51.50000111.1V469 L492 A493 L495 L523 C529 C530V469-V525 HydrophobicContact CG1-CG1 4.23Å; V469-V525 HydrophobicContact CG2-CG1 4.4Å; V469-V525 HydrophobicContact CG2-CG2 4.17Å; L492-V525 CarbonylContact C-O 3.14Å; L492-V525 WeakPolarHBondContact CA-O 3.1Å; L492-V525 WeakPolarHBondContact CB-O 3.37Å; A493-V525 PolarHBondContact N-O 3.02Å; A493-V525 PolarHBondContact O-N 2.88Å; L495-V525 HydrophobicContact CD1-CB 4.43Å; L495-V525 HydrophobicContact CD1-CG1 4.01Å; L495-V525 HydrophobicContact CD1-CG2 3.64Å; L523-V525 HydrophobicContact CD1-CG1 4.46Å; L523-V525 HydrophobicContact CD2-CG1 3.77Å; L523-V525 HydrophobicContact CG-CG1 3.76Å; V525-C529 HydrophobicContact CG2-CB 4.44Å; V525-C530 WeakPolarHBondContact CG2-SG 3.37Å
526K87.3Confident82Confident90 Ų9063 Ų6339%0.39132%0.324SS..EExtended strand (participates in β ladder)trans-68.4136.5171.7-57.2-175.8176.1-166.20108.9E490 L492 K528 C529E490-K526 WeakPolarHBondContact OE2-CD 3.46Å; E490-K526 WeakPolarHBondContact OE2-CE 3.34Å; E490-K526 IonicContact OE2-NZ 3.98Å; E490-K526 PolarHBondContact OE2-NZ 2.84Å; L492-K526 HydrophobicContact CD2-CB 4.39Å; L492-K526 HydrophobicContact CD2-CG 3.83Å; K526-K528 HydrophobicContact CB-CG 4.12Å; K526-K528 PolarHBondContact O-N 2.99Å; K526-K528 VanDerWaalsContact O-N 3.09Å; K526-C529 VanDerWaalsContact O-CB 3.29Å; K526-C529 WeakPolarHBondContact O-CB 3.47Å; K526-C529 PolarHBondContact O-N 2.91Å
527L77.9Confident80.1Confident42 Ų4263.9 Ų63.922%0.2233%0.331CS..G310 helixtrans-52.5-40.1-175.1-17565000112.5L461 I479 V482 P491 A493 C529 C530L461-L527 HydrophobicContact CB-CD1 4.17Å; I479-L527 HydrophobicContact CD1-CD1 4.25Å; V482-L527 HydrophobicContact CG1-CD1 4.38Å; V482-L527 HydrophobicContact CG1-CD2 4.17Å; V482-L527 HydrophobicContact CG2-CD1 4.43Å; P491-L527 PolarHBondContact O-N 3Å; A493-L527 HydrophobicContact CB-CD1 3.96Å; L527-C529 PolarHBondContact O-N 2.85Å; L527-C530 WeakPolarHBondContact O-CB 3.36Å; L527-C530 PolarHBondContact O-N 2.9Å
528K78.6Confident77.9Confident112 Ų11266.5 Ų66.549%0.48735%0.349SS..G310 helixtrans-61.8-6.3174.770.8-173.2-178.1-173.70116.7E490 K526E490-K528 IonicContact OE1-NZ 2.61Å; E490-K528 PolarHBondContact OE1-NZ 3.11Å; E490-K528 IonicContact OE2-NZ 3.45Å; E490-K528 PolarHBondContact OE2-NZ 2.85Å; K526-K528 HydrophobicContact CB-CG 4.12Å; K526-K528 PolarHBondContact O-N 2.99Å; K526-K528 VanDerWaalsContact O-N 3.09Å
529C80.1Confident75.8Confident59 Ų5970.3 Ų70.340%0.39937%0.366SS..G310 helixtrans-98.4-14.6175.1-62.80000112.7V525 K526 L527V525-C529 HydrophobicContact CG2-CB 4.44Å; K526-C529 VanDerWaalsContact O-CB 3.29Å; K526-C529 WeakPolarHBondContact O-CB 3.47Å; K526-C529 PolarHBondContact O-N 2.91Å; L527-C529 PolarHBondContact O-N 2.85Å
530C79.7Confident73.6Confident7 Ų774.1 Ų74.15%0.04738%0.376CS..EExtended strand (participates in β ladder)trans-77.7152.1171-56.40000110.1L461 V467 V525 L527L461-C530 HydrophobicContact CD1-CB 3.72Å; V467-C530 HydrophobicContact CB-CB 4.22Å; V467-C530 HydrophobicContact CG1-CB 4.31Å; V467-C530 HydrophobicContact CG2-CB 4.36Å; V525-C530 WeakPolarHBondContact CG2-SG 3.37Å; L527-C530 WeakPolarHBondContact O-CB 3.36Å; L527-C530 PolarHBondContact O-N 2.9Å
531R78.1Confident71.3Confident129 Ų12977.3 Ų77.349%0.48739%0.392SS..EExtended strand (participates in β ladder)trans-137.7151.4170.3-62.6174.2169.2-123.6-14.7108.2V467 E468 D533V467-R531 CarbonylContact C-O 3.53Å; V467-R531 WeakPolarHBondContact CA-O 3.18Å; V467-R531 WeakPolarHBondContact CB-O 3.34Å; V467-R531 WeakPolarHBondContact CG1-O 3.31Å; E468-R531 HydrophobicContact CG-CB 3.81Å; E468-R531 PolarHBondContact N-O 3.18Å; E468-R531 PolarHBondContact O-N 2.88Å; R531-D533 PolarHBondContact O-N 2.85Å
532P75.8Confident68.7Low53 Ų5376.2 Ų76.234%0.34439%0.39SS..EExtended strand (participates in β ladder)trans-50.5135.5167.4-22.432000110.2L461 S534L461-P532 HydrophobicContact CD2-CG 4.1Å; P532-S534 PolarHBondContact O-N 2.87Å
533D76.1Confident66.3Low3 Ų382.6 Ų82.62%0.01643%0.434CS..  trans-59.2119.1-178.4-173.4-36000110.7L466 R531 R535 F536L466-D533 HydrophobicContact CB-CB 4.18Å; L466-D533 PolarHBondContact O-N 2.92Å; L466-D533 VanDerWaalsContact O-N 3.16Å; R531-D533 PolarHBondContact O-N 2.85Å; D533-R535 PolarHBondContact O-N 2.87Å; D533-R535 WeakPolarHBondContact OD1-CB 3.43Å; D533-R535 VanDerWaalsContact OD1-CG 3.25Å; D533-R535 WeakPolarHBondContact OD1-CG 3.23Å; D533-R535 IonicContact OD1-CZ 3.48Å; D533-R535 PolarHBondContact OD1-N 3.09Å; D533-R535 IonicContact OD1-NE 3.89Å; D533-R535 PolarHBondContact OD1-NE 2.82Å; D533-R535 IonicContact OD1-NH2 2.77Å; D533-R535 IonicContact OD2-CZ 3.15Å; D533-R535 VanDerWaalsContact OD2-CZ 3.3Å; D533-R535 IonicContact OD2-NE 2.69Å; D533-R535 PolarHBondContact OD2-NE 2.84Å; D533-R535 VanDerWaalsContact OD2-NE 3.13Å; D533-R535 IonicContact OD2-NH2 2.63Å; D533-R535 PolarHBondContact OD2-NH2 2.81Å; D533-F536 HydrophobicContact CB-CD2 4.15Å; D533-F536 CarbonylContact O-C 3.45Å; D533-F536 PolarHBondContact O-N 2.84Å
534S74.3Confident64Low95 Ų9583.8 Ų83.866%0.66444%0.441SS*.THydrogen-bonded Turntrans-65-12-175.854.30000114.7E468 P532 F536E468-S534 WeakPolarHBondContact OE2-CB 3.16Å; E468-S534 PolarHBondContact OE2-N 2.72Å; E468-S534 VanDerWaalsContact OE2-N 3.12Å; E468-S534 PolarHBondContact OE2-OG 3.08Å; P532-S534 PolarHBondContact O-N 2.87Å; S534-F536 VanDerWaalsContact C-N 3.31Å
535R71.1Confident61.8Low118 Ų11885.6 Ų85.645%0.44546%0.456SS..THydrogen-bonded Turntrans-74.6-20.4171.1-54.9174.2-63.2165.811.2112.6E498 D533E498-R535 IonicContact OE1-CZ 2.64Å; E498-R535 IonicContact OE1-NH1 2.79Å; E498-R535 IonicContact OE1-NH2 2.64Å; E498-R535 PolarHBondContact OE1-NH2 3.23Å; E498-R535 IonicContact OE2-CZ 3.44Å; E498-R535 IonicContact OE2-NH1 2.68Å; E498-R535 PolarHBondContact OE2-NH1 2.86Å; E498-R535 IonicContact OE2-NH2 3.36Å; E498-R535 PolarHBondContact OE2-NH2 2.8Å; E498-R535 VanDerWaalsContact OE2-NH2 3.12Å; D533-R535 PolarHBondContact O-N 2.87Å; D533-R535 WeakPolarHBondContact OD1-CB 3.43Å; D533-R535 VanDerWaalsContact OD1-CG 3.25Å; D533-R535 WeakPolarHBondContact OD1-CG 3.23Å; D533-R535 IonicContact OD1-CZ 3.48Å; D533-R535 PolarHBondContact OD1-N 3.09Å; D533-R535 IonicContact OD1-NE 3.89Å; D533-R535 PolarHBondContact OD1-NE 2.82Å; D533-R535 IonicContact OD1-NH2 2.77Å; D533-R535 IonicContact OD2-CZ 3.15Å; D533-R535 VanDerWaalsContact OD2-CZ 3.3Å; D533-R535 IonicContact OD2-NE 2.69Å; D533-R535 PolarHBondContact OD2-NE 2.84Å; D533-R535 VanDerWaalsContact OD2-NE 3.13Å; D533-R535 IonicContact OD2-NH2 2.63Å; D533-R535 PolarHBondContact OD2-NH2 2.81Å
536F64.2Low59.7Low107 Ų10786.4 Ų86.447%0.46946%0.459SS..SBendtrans-128.190.1-174.7-58.9-76.5000110.8L466 D533 S534 S538L466-F536 HydrophobicContact CD1-CD2 4Å; L466-F536 HydrophobicContact CD1-CE2 4.29Å; L466-F536 HydrophobicContact CD1-CG 4.27Å; D533-F536 HydrophobicContact CB-CD2 4.15Å; D533-F536 CarbonylContact O-C 3.45Å; D533-F536 PolarHBondContact O-N 2.84Å; S534-F536 VanDerWaalsContact C-N 3.31Å; F536-S538 PolarHBondContact O-N 2.81Å
537P47.6Very low57.5Low119 Ų11987.1 Ų87.177%0.77346%0.464SS*.  trans-53.9115.3179.5-2735.5000112L539P537-L539 PolarHBondContact O-N 2.9Å; P537-L539 VanDerWaalsContact O-N 3.12Å
538S41.1Very low56.1Low70 Ų7089.7 Ų89.749%0.4947%0.471SS..  trans-65.4111.9-169.856.50000112.2F536 H540F536-S538 PolarHBondContact O-N 2.81Å; S538-H540 PolarHBondContact O-N 2.71Å; S538-H540 VanDerWaalsContact O-N 3.17Å
539L41.5Very low54.4Low145 Ų14584.5 Ų84.576%0.75945%0.448SS*.  trans-63.1112.9167-73.3168.5000109P537 H541P537-L539 PolarHBondContact O-N 2.9Å; P537-L539 VanDerWaalsContact O-N 3.12Å; L539-H541 PolarHBondContact O-N 3.13Å; L539-H541 VanDerWaalsContact O-N 3.1Å
540H38.2Very low52.6Low168 Ų16886.4 Ų86.478%0.77846%0.455SS*.  trans-67.4108.5173.1-83-85.6000110S538 S542S538-H540 PolarHBondContact O-N 2.71Å; S538-H540 VanDerWaalsContact O-N 3.17Å; H540-S542 VanDerWaalsContact C-N 3.32Å; H540-S542 PolarHBondContact O-N 2.8Å
541H38.8Very low50.6Low173 Ų17388.1 Ų88.180%0.80147%0.467SS*.  trans-65.194.4162.4-79.1-111.5000108.6L539L539-H541 PolarHBondContact O-N 3.13Å; L539-H541 VanDerWaalsContact O-N 3.1Å
542S34.8Very low48.8Very low24 Ų2490 Ų9017%0.16848%0.484CS..  trans-84.8122.1169.741.70000108.7H540 N544 E547H540-S542 VanDerWaalsContact C-N 3.32Å; H540-S542 PolarHBondContact O-N 2.8Å; S542-N544 PolarHBondContact O-N 2.81Å; S542-E547 VanDerWaalsContact CB-OE2 3.28Å; S542-E547 WeakPolarHBondContact CB-OE2 3.29Å; S542-E547 WeakPolarHBondContact OG-CB 3.48Å
543S38.9Very low47Very low135 Ų13590.9 Ų90.994%0.94450%0.497SS*.SBendtrans-74.930.7179.364.40000112.8
544N42.8Very low45.6Very low58 Ų5891.5 Ų91.531%0.3150%0.499SS..SBendtrans-140.7114-172.5-171.5-5.7000108.8S542 I546 E547 R548S542-N544 PolarHBondContact O-N 2.81Å; N544-I546 PolarHBondContact O-N 2.91Å; N544-I546 WeakPolarHBondContact OD1-CB 3.39Å; N544-I546 PolarHBondContact OD1-N 2.83Å; N544-E547 HydrophobicContact CB-CB 4.35Å; N544-E547 HydrophobicContact CB-CG 4.37Å; N544-E547 PolarHBondContact O-N 2.63Å; N544-R548 PolarHBondContact O-N 2.75Å
545P42.6Very low44.2Very low68 Ų6889.8 Ų89.844%0.44250%0.496SS..Hα-helixtrans-53.8-29.3179.6-26.534.6000113.4E547 R548 C549 Y589P545-E547 VanDerWaalsContact C-N 3.35Å; P545-E547 PolarHBondContact O-N 2.83Å; P545-R548 WeakPolarHBondContact O-CB 3.44Å; P545-R548 PolarHBondContact O-N 3.35Å; P545-C549 PolarHBondContact O-N 2.92Å; P545-C549 PolarHBondContact O-SG 3.1Å; P545-Y589 HydrophobicContact CB-CE2 4.05Å
546I44.8Very low43.3Very low40 Ų4087 Ų8721%0.20550%0.504CS..Hα-helixtrans-65.9-33.7176.7-66.6156.1000112.5N544 N550 M651N544-I546 PolarHBondContact O-N 2.91Å; N544-I546 WeakPolarHBondContact OD1-CB 3.39Å; N544-I546 PolarHBondContact OD1-N 2.83Å; I546-N550 PolarHBondContact O-ND2 3.08Å; I546-M651 HydrophobicContact CG1-CG 4.24Å
547E41.5Very low43.2Very low105 Ų10584 Ų8449%0.49149%0.49SS..Hα-helixtrans-84.8-27.2178.7-72.8-177.6178.100112.1S542 N544 P545 C549 N550 S551S542-E547 VanDerWaalsContact CB-OE2 3.28Å; S542-E547 WeakPolarHBondContact CB-OE2 3.29Å; S542-E547 WeakPolarHBondContact OG-CB 3.48Å; N544-E547 HydrophobicContact CB-CB 4.35Å; N544-E547 HydrophobicContact CB-CG 4.37Å; N544-E547 PolarHBondContact O-N 2.63Å; P545-E547 VanDerWaalsContact C-N 3.35Å; P545-E547 PolarHBondContact O-N 2.83Å; E547-C549 VanDerWaalsContact C-N 3.26Å; E547-C549 PolarHBondContact O-N 3.39Å; E547-N550 CarbonylContact O-C 3.6Å; E547-N550 PolarHBondContact O-N 2.98Å; E547-S551 PolarHBondContact O-N 3.01Å
548R47Very low44.4Very low96 Ų9683.3 Ų83.336%0.36248%0.479SS..Hα-helixtrans-52.5-45.6162.7-95.5175.8162.3139.8-7.6111N544 P545 N550 S551 F554 N890N544-R548 PolarHBondContact O-N 2.75Å; P545-R548 WeakPolarHBondContact O-CB 3.44Å; P545-R548 PolarHBondContact O-N 3.35Å; R548-N550 PolarHBondContact O-N 3.11Å; R548-S551 VanDerWaalsContact O-CB 3.28Å; R548-S551 WeakPolarHBondContact O-CB 3.5Å; R548-S551 PolarHBondContact O-N 2.99Å; R548-S551 VanDerWaalsContact O-N 3.14Å; R548-S551 PolarHBondContact O-OG 3.09Å; R548-F554 WeakPolarHBondContact O-CD2 3.25Å; R548-F554 WeakPolarHBondContact O-CE2 3.3Å; R548-N890 VanDerWaalsContact CZ-OD1 3.28Å; R548-N890 PolarHBondContact NE-OD1 3.28Å; R548-N890 PolarHBondContact NH2-OD1 2.59Å
549C44.4Very low46.4Very low3 Ų380.5 Ų80.52%0.0246%0.46CS..THydrogen-bonded Turntrans-71.1-10.4176.5-57.80000115.7P545 E547 F554 H588 T648P545-C549 PolarHBondContact O-N 2.92Å; P545-C549 PolarHBondContact O-SG 3.1Å; E547-C549 VanDerWaalsContact C-N 3.26Å; E547-C549 PolarHBondContact O-N 3.39Å; C549-F554 HydrophobicContact CB-CZ 4.42Å; C549-F554 VanDerWaalsContact O-CG 3.29Å; C549-F554 WeakPolarHBondContact O-CG 3.21Å; C549-H588 PolarHBondContact SG-NE2 3.44Å; C549-T648 HydrophobicContact CB-CG2 3.68Å; C549-T648 WeakPolarHBondContact O-CG2 3.36Å
550N40.7Very low48.5Very low99 Ų9979.8 Ų79.853%0.52945%0.453SS..THydrogen-bonded Turntrans-110.14.8172-65-51.3000112.1I546 E547 R548I546-N550 PolarHBondContact O-ND2 3.08Å; E547-N550 CarbonylContact O-C 3.6Å; E547-N550 PolarHBondContact O-N 2.98Å; R548-N550 PolarHBondContact O-N 3.11Å
551S39.2Very low50.9Low43 Ų4374.8 Ų74.830%0.30143%0.433SS..SBendtrans-68.1159.9-179.971.50000111E547 R548 A553 F554E547-S551 PolarHBondContact O-N 3.01Å; R548-S551 VanDerWaalsContact O-CB 3.28Å; R548-S551 WeakPolarHBondContact O-CB 3.5Å; R548-S551 PolarHBondContact O-N 2.99Å; R548-S551 VanDerWaalsContact O-N 3.14Å; R548-S551 PolarHBondContact O-OG 3.09Å; S551-A553 PolarHBondContact O-N 2.72Å; S551-F554 PolarHBondContact O-N 2.83Å
552I40Very low53.5Low167 Ų16767.2 Ų67.286%0.85640%0.4SS*.G310 helixtrans-58.4-21.4-167.2-64.6164.3000113.1F554 G555I552-F554 VanDerWaalsContact C-N 3.25Å; I552-F554 PolarHBondContact O-N 3.23Å; I552-G555 PolarHBondContact O-N 3.42Å
553A38.7Very low56.1Low73 Ų7372.6 Ų72.660%0.60342%0.422SS*.G310 helixtrans-60.1-27.6171.600000114.3S551 G555S551-A553 PolarHBondContact O-N 2.72Å; A553-G555 VanDerWaalsContact C-N 3.29Å; A553-G555 PolarHBondContact O-N 2.97Å
554F45Very low58.4Low16 Ų1673.4 Ų73.47%0.0741%0.411CS..G310 helixtrans-79.6-1.7-177.6-82.6-96.5000114.6R548 C549 S551 I552 G556 Y557 L558 F892R548-F554 WeakPolarHBondContact O-CD2 3.25Å; R548-F554 WeakPolarHBondContact O-CE2 3.3Å; C549-F554 HydrophobicContact CB-CZ 4.42Å; C549-F554 VanDerWaalsContact O-CG 3.29Å; C549-F554 WeakPolarHBondContact O-CG 3.21Å; S551-F554 PolarHBondContact O-N 2.83Å; I552-F554 VanDerWaalsContact C-N 3.25Å; I552-F554 PolarHBondContact O-N 3.23Å; F554-G556 PolarHBondContact O-N 3.31Å; F554-G556 VanDerWaalsContact O-N 3.08Å; F554-Y557 CarbonylContact O-C 3.59Å; F554-Y557 WeakPolarHBondContact O-CA 3.36Å; F554-Y557 PolarHBondContact O-N 2.87Å; F554-L558 PolarHBondContact O-N 3.17Å; F554-F892 HydrophobicContact CE1-CB 4.24Å; F554-F892 HydrophobicContact CZ-CB 3.8Å; F554-F892 HydrophobicContact CZ-CD1 4.39Å; F554-F892 HydrophobicContact CZ-CG 4.33Å
555G46.4Very low60.4Low59 Ų5975.1 Ų75.161%0.60842%0.42SS*.G310 helixtrans-54.9-32.4-174.200000115.1I552 A553I552-G555 PolarHBondContact O-N 3.42Å; A553-G555 VanDerWaalsContact C-N 3.29Å; A553-G555 PolarHBondContact O-N 2.97Å
556G51.8Low62.5Low59 Ų5972.8 Ų72.861%0.60840%0.404SS*.G310 helixtrans-90.50.8174.700000115.5F554 K582F554-G556 PolarHBondContact O-N 3.31Å; F554-G556 VanDerWaalsContact O-N 3.08Å; G556-K582 PolarHBondContact O-NZ 2.84Å
557Y61.4Low64.5Low43 Ų4373.7 Ų73.717%0.16941%0.413CS..THydrogen-bonded Turntrans-126.110.7-171.7-80.7-98000113.7F554 K582 Y644 C646 F892 I894F554-Y557 CarbonylContact O-C 3.59Å; F554-Y557 WeakPolarHBondContact O-CA 3.36Å; F554-Y557 PolarHBondContact O-N 2.87Å; Y557-K582 HydrophobicContact CD1-CD 3.9Å; Y557-K582 HydrophobicContact CD1-CG 4.21Å; Y557-K582 HydrophobicContact CE1-CD 3.4Å; Y557-K582 HydrophobicContact CE1-CG 3.79Å; Y557-Y644 WeakPolarHBondContact O-CE1 3.38Å; Y557-Y644 PolarHBondContact O-OH 2.78Å; Y557-C646 WeakPolarHBondContact O-CB 3.45Å; Y557-F892 HydrophobicContact CD1-CD2 4.45Å; Y557-F892 HydrophobicContact CD1-CE2 4.01Å; Y557-F892 HydrophobicContact CD2-CE2 4.24Å; Y557-F892 HydrophobicContact CD2-CZ 4.07Å; Y557-F892 HydrophobicContact CE1-CD2 4.3Å; Y557-F892 AromaticContact CE1-CE2 3.57Å; Y557-F892 HydrophobicContact CE1-CE2 3.57Å; Y557-F892 HydrophobicContact CE1-CZ 4.27Å; Y557-F892 AromaticContact CE2-CE2 3.81Å; Y557-F892 HydrophobicContact CE2-CE2 3.81Å; Y557-F892 AromaticContact CE2-CZ 3.63Å; Y557-F892 HydrophobicContact CE2-CZ 3.63Å; Y557-F892 HydrophobicContact CG-CE2 4.33Å; Y557-F892 AromaticContact CZ-CE2 3.44Å; Y557-F892 VanDerWaalsContact CZ-CE2 3.44Å; Y557-F892 AromaticContact CZ-CZ 3.73Å; Y557-I894 HydrophobicContact CE1-CG1 4.39Å
558L73.2Confident66.7Low106 Ų10669.6 Ų69.656%0.55540%0.395SS*.  trans-68.2143.5169.4-59.3178.1000110.8F554F554-L558 PolarHBondContact O-N 3.17Å
559S82.3Confident68.3Low11 Ų1168.2 Ų68.28%0.07739%0.39CS..  trans-100.8140.4163.463.80000110.9C646 K649S559-C646 PolarHBondContact N-SG 3.19Å; S559-C646 VanDerWaalsContact N-SG 3.39Å; S559-C646 PolarHBondContact OG-N 2.98Å; S559-C646 PolarHBondContact OG-SG 3.3Å; S559-K649 WeakPolarHBondContact O-CE 3.37Å; S559-K649 PolarHBondContact O-NZ 2.88Å; S559-K649 VanDerWaalsContact O-NZ 3.13Å; S559-K649 WeakPolarHBondContact OG-CE 3.48Å
560E85.3Confident69.6Low130 Ų13071.5 Ų71.561%0.60741%0.41SS*.  trans-66.8174-179.9-62.4-174171.300112P638 H642E560-P638 VanDerWaalsContact O-CG 3.28Å; E560-P638 WeakPolarHBondContact O-CG 3.28Å; E560-H642 IonicContact OE2-CE1 3.66Å; E560-H642 PolarHBondContact OE2-CE1 2.88Å; E560-H642 VanDerWaalsContact OE2-CE1 3.23Å; E560-H642 IonicContact OE2-NE2 2.64Å
561V90.5Very high70.8Confident62 Ų6270.4 Ų70.438%0.37640%0.402SS..  trans-114.7113.5174.4-178.30000107.9T633 E634V561-T633 CarbonylContact C-O 3.51Å; V561-T633 WeakPolarHBondContact CA-O 3.4Å; V561-E634 HydrophobicContact CG1-CG 4.06Å; V561-E634 HydrophobicContact CG2-CG 3.94Å
562V92.4Very high71.9Confident15 Ų1575.9 Ų75.99%0.09143%0.428CS..  trans-107.2105.7-174.5176.60000108.8E564 T633 N637 P638 I641 H642V562-E564 HydrophobicContact CG1-CB 4.43Å; V562-T633 PolarHBondContact N-O 3.46Å; V562-T633 VanDerWaalsContact O-CA 3.27Å; V562-T633 WeakPolarHBondContact O-CA 3.44Å; V562-T633 WeakPolarHBondContact O-CB 3.45Å; V562-N637 HydrophobicContact CB-CB 3.67Å; V562-N637 HydrophobicContact CG1-CB 3.68Å; V562-N637 WeakPolarHBondContact O-CB 3.36Å; V562-N637 PolarHBondContact O-ND2 2.9Å; V562-P638 HydrophobicContact CB-CG 4.26Å; V562-P638 HydrophobicContact CG2-CG 4.1Å; V562-I641 HydrophobicContact CG1-CD1 3.52Å; V562-I641 HydrophobicContact CG1-CG1 4.3Å; V562-I641 HydrophobicContact CG2-CD1 4.26Å; V562-H642 WeakPolarHBondContact CG2-NE2 3.34Å
563H89.1Confident73.3Confident137 Ų13771.1 Ų71.163%0.63440%0.404SS*.  trans-79.2-19.3-179.4-66.7-71000113.9
564E88Confident74.5Confident151 Ų15171 Ų7171%0.70640%0.399SS*.SBendtrans-73.3135.9-178.6-60.1-173.5174.500111.9V562 T566 N637V562-E564 HydrophobicContact CG1-CB 4.43Å; E564-T566 PolarHBondContact O-N 3.06Å; E564-T566 PolarHBondContact O-OG1 2.98Å; E564-T566 VanDerWaalsContact O-OG1 3.07Å; E564-N637 PolarHBondContact O-ND2 3.24Å; E564-N637 PolarHBondContact O-OD1 3.21Å
565N84.3Confident76.3Confident95 Ų9571.6 Ų71.651%0.50840%0.403SS..  trans-66.4103.6-179.9-69.4-24.3000110.1P567 L613N565-P567 WeakPolarHBondContact O-CD 3.46Å; N565-L613 WeakPolarHBondContact OD1-CD2 3.46Å
566T86.2Confident78Confident19 Ų1975 Ų7512%0.11741%0.407CS..  trans-97.7109.2-173.8-51.70000109.6E564 N637 R640 I641E564-T566 PolarHBondContact O-N 3.06Å; E564-T566 PolarHBondContact O-OG1 2.98Å; E564-T566 VanDerWaalsContact O-OG1 3.07Å; T566-N637 WeakPolarHBondContact CB-OD1 3.11Å; T566-N637 PolarHBondContact N-OD1 2.9Å; T566-N637 VanDerWaalsContact N-OD1 3.09Å; T566-N637 PolarHBondContact OG1-OD1 2.91Å; T566-R640 HydrophobicContact CG2-CB 3.56Å; T566-R640 WeakPolarHBondContact O-CD 3.35Å; T566-R640 PolarHBondContact O-NH1 2.85Å; T566-I641 HydrophobicContact CG2-CD1 4.32Å; T566-I641 HydrophobicContact CG2-CG1 3.57Å
567P87.8Confident79.8Confident58 Ų5874 Ų7438%0.37739%0.389SS..PPolyproline II helixtrans-65.4159.9171.530.1-35.4000110.7N565 Y946N565-P567 WeakPolarHBondContact O-CD 3.46Å; P567-Y946 HydrophobicContact CB-CD1 3.96Å; P567-Y946 HydrophobicContact CB-CD2 3.91Å; P567-Y946 HydrophobicContact CB-CE1 4Å; P567-Y946 HydrophobicContact CB-CE2 3.97Å; P567-Y946 HydrophobicContact CB-CG 3.92Å
568P86.5Confident81.2Confident20 Ų2072 Ų7213%0.1338%0.381CS..PPolyproline II helixtrans-60.8151.6170.628.5-35.4000111F604P568-F604 VanDerWaalsContact CB-O 3.22Å; P568-F604 WeakPolarHBondContact CB-O 3.29Å
569R80.6Confident82.2Confident67 Ų6768.8 Ų68.825%0.25337%0.366SS..PPolyproline II helixtrans-73.2147.7176.4-69.5-177179.2-85.95.4111.1D573 F604 R640 I641R569-D573 HydrophobicContact CB-CB 4.1Å; R569-D573 HydrophobicContact CG-CB 4.44Å; R569-F604 HydrophobicContact CB-CE1 4.46Å; R569-R640 PolarHBondContact NE-O 3.13Å; R569-I641 PolarHBondContact NH2-O 3.23Å
570T71.9Confident82.8Confident72 Ų7269.6 Ų69.644%0.44238%0.376SS..PPolyproline II helixtrans-93.4166.2178.570.40000111.8N572 D573T570-N572 PolarHBondContact O-N 3.22Å; T570-N572 VanDerWaalsContact O-N 3.09Å; T570-N572 PolarHBondContact OG1-N 3.15Å; T570-D573 WeakPolarHBondContact CB-OD2 3.45Å; T570-D573 PolarHBondContact N-OD2 2.84Å; T570-D573 WeakPolarHBondContact O-CB 3.15Å; T570-D573 PolarHBondContact O-N 2.94Å; T570-D573 PolarHBondContact OG1-OD2 3.26Å
571E66.7Low83.2Confident76 Ų7669.3 Ų69.336%0.35537%0.372SS..THydrogen-bonded Turntrans-59.9-15.8173.9-169.6168.4-150.600113.8S871 A872E571-S871 VanDerWaalsContact CD-N 3.31Å; E571-S871 PolarHBondContact OE1-N 3.03Å; E571-S871 WeakPolarHBondContact OE2-CB 3.22Å; E571-S871 PolarHBondContact OE2-N 3.32Å; E571-S871 PolarHBondContact OE2-OG 3.25Å; E571-A872 VanDerWaalsContact OE1-CB 3.29Å; E571-A872 WeakPolarHBondContact OE1-CB 3.39Å; E571-A872 PolarHBondContact OE1-N 3.25Å
572N61.9Low83.3Confident157 Ų15769.4 Ų69.484%0.8437%0.368SS*.THydrogen-bonded Turntrans-91.7-11.1175.8-61.8-63.2000113.7T570T570-N572 PolarHBondContact O-N 3.22Å; T570-N572 VanDerWaalsContact O-N 3.09Å; T570-N572 PolarHBondContact OG1-N 3.15Å
573D69.1Low83.5Confident68 Ų6870.6 Ų70.636%0.36437%0.372SS..SBendtrans-80.9150177.5-69.9-74.9000111.1R569 T570 L575R569-D573 HydrophobicContact CB-CB 4.1Å; R569-D573 HydrophobicContact CG-CB 4.44Å; T570-D573 WeakPolarHBondContact CB-OD2 3.45Å; T570-D573 PolarHBondContact N-OD2 2.84Å; T570-D573 WeakPolarHBondContact O-CB 3.15Å; T570-D573 PolarHBondContact O-N 2.94Å; T570-D573 PolarHBondContact OG1-OD2 3.26Å; D573-L575 PolarHBondContact O-N 3.43Å
574S65.2Low83.8Confident70 Ų7064 Ų6449%0.4934%0.342SS..  trans-59.6109.4171.9159.30000110.2D576S574-D576 PolarHBondContact O-N 2.98Å; S574-D576 PolarHBondContact OG-OD2 3.34Å
575L82.3Confident84.3Confident29 Ų2956.9 Ų56.915%0.15231%0.308CS..G310 helixtrans-74.4-11.6178.4-138.175.8000112.4D573 V577 M578 V579 F604 Y869 L877D573-L575 PolarHBondContact O-N 3.43Å; L575-V577 PolarHBondContact O-N 2.86Å; L575-V577 VanDerWaalsContact O-N 3.08Å; L575-M578 WeakPolarHBondContact O-CA 3.16Å; L575-M578 PolarHBondContact O-N 3.33Å; L575-V579 HydrophobicContact CB-CG2 4.48Å; L575-V579 HydrophobicContact CD2-CG2 4.02Å; L575-V579 HydrophobicContact CG-CG2 4.16Å; L575-V579 WeakPolarHBondContact O-CG2 3.48Å; L575-V579 PolarHBondContact O-N 3.38Å; L575-V579 VanDerWaalsContact O-N 3.1Å; L575-F604 HydrophobicContact CD1-CE1 3.85Å; L575-F604 HydrophobicContact CD1-CZ 4.21Å; L575-Y869 HydrophobicContact CD1-CD2 3.71Å; L575-Y869 HydrophobicContact CD1-CE2 4.12Å; L575-Y869 HydrophobicContact CD1-CG 4.19Å; L575-Y869 HydrophobicContact CD2-CD1 3.99Å; L575-Y869 HydrophobicContact CD2-CD2 3.75Å; L575-Y869 HydrophobicContact CD2-CE1 3.74Å; L575-Y869 HydrophobicContact CD2-CE2 3.54Å; L575-Y869 HydrophobicContact CD2-CG 3.97Å; L575-Y869 HydrophobicContact CG-CD2 4.41Å; L575-Y869 HydrophobicContact CG-CE2 4.48Å; L575-L877 HydrophobicContact CD2-CD1 4.11Å; L575-L877 HydrophobicContact CD2-CD2 4.16Å; L575-L877 HydrophobicContact CD2-CG 4.43Å
576D81Confident84.8Confident130 Ų13052.4 Ų52.470%0.69528%0.284SS*.G310 helixtrans-56.4-26.1179.5-48.3-74.7000112.7S574S574-D576 PolarHBondContact O-N 2.98Å; S574-D576 PolarHBondContact OG-OD2 3.34Å
577V89.6Confident85.1Confident38 Ų3851.6 Ų51.623%0.2328%0.279CS..G310 helixtrans-76.5-23.1174.975.90000113L575 K583 I641 G643L575-V577 PolarHBondContact O-N 2.86Å; L575-V577 VanDerWaalsContact O-N 3.08Å; V577-K583 WeakPolarHBondContact O-CD 3.21Å; V577-K583 VanDerWaalsContact O-CE 3.22Å; V577-K583 WeakPolarHBondContact O-CE 3.38Å; V577-K583 PolarHBondContact O-NZ 3.06Å; V577-I641 VanDerWaalsContact CG2-O 3.28Å; V577-I641 WeakPolarHBondContact CG2-O 3.13Å; V577-G643 VanDerWaalsContact O-CA 3.3Å; V577-G643 WeakPolarHBondContact O-CA 3.41Å
578M91.4Very high85.1Confident2 Ų250 Ų501%0.0127%0.267CS..THydrogen-bonded Turntrans-96.3-20.5178.7-65.9-63.9-68.900113.4L575 K583 F604 L639 V897L575-M578 WeakPolarHBondContact O-CA 3.16Å; L575-M578 PolarHBondContact O-N 3.33Å; M578-K583 WeakPolarHBondContact O-CB 3.24Å; M578-F604 HydrophobicContact CB-CZ 3.96Å; M578-F604 HydrophobicContact CE-CE1 4.48Å; M578-F604 HydrophobicContact CE-CE2 3.86Å; M578-F604 HydrophobicContact CE-CZ 3.73Å; M578-F604 HydrophobicContact CG-CE1 4.21Å; M578-F604 HydrophobicContact CG-CZ 3.78Å; M578-L639 HydrophobicContact CE-CG 4.49Å; M578-V897 VanDerWaalsContact O-CB 3.29Å; M578-V897 WeakPolarHBondContact O-CB 3.25Å; M578-V897 WeakPolarHBondContact O-CG1 3.19Å
579V95Very high85Confident38 Ų3853.9 Ų53.923%0.2328%0.28CS..SBendtrans-106141.8-169.3176.40000112.3L575 L877 V897 P899L575-V579 HydrophobicContact CB-CG2 4.48Å; L575-V579 HydrophobicContact CD2-CG2 4.02Å; L575-V579 HydrophobicContact CG-CG2 4.16Å; L575-V579 WeakPolarHBondContact O-CG2 3.48Å; L575-V579 PolarHBondContact O-N 3.38Å; L575-V579 VanDerWaalsContact O-N 3.1Å; V579-L877 HydrophobicContact CG2-CD1 4.26Å; V579-L877 HydrophobicContact CG2-CD2 3.65Å; V579-V897 HydrophobicContact CG2-CG1 4.43Å; V579-P899 HydrophobicContact CG1-CG 3.9Å
580G94.6Very high85.4Confident28 Ų2854.9 Ų54.929%0.28929%0.29SS..EExtended strand (participates in β ladder)trans130.2-175.2174.100000114.3K583 V897G580-K583 WeakPolarHBondContact O-CB 3.5Å; G580-V897 PolarHBondContact N-O 2.83Å; G580-V897 PolarHBondContact O-N 2.65Å
581K93.1Very high86.5Confident123 Ų12351.5 Ų51.554%0.53527%0.269SS..EExtended strand (participates in β ladder)trans-70.3150.8163.3-77.7-166.1173.3-165.60110.2D884 Q896K581-D884 IonicContact NZ-OD2 2.83Å; K581-D884 PolarHBondContact NZ-OD2 3.2Å; K581-Q896 VanDerWaalsContact CE-OE1 3.22Å; K581-Q896 HydrophobicContact CG-CG 4.2Å
582K92.2Very high87.9Confident64 Ų6448 Ų4828%0.27825%0.253SS..SBendtrans58.447.6-173.1-166.6-177.5172.3161.50111.3G556 Y557 Y644 I894 P895G556-K582 PolarHBondContact O-NZ 2.84Å; Y557-K582 HydrophobicContact CD1-CD 3.9Å; Y557-K582 HydrophobicContact CD1-CG 4.21Å; Y557-K582 HydrophobicContact CE1-CD 3.4Å; Y557-K582 HydrophobicContact CE1-CG 3.79Å; K582-Y644 HydrophobicContact CG-CD2 3.99Å; K582-Y644 HydrophobicContact CG-CE2 3.86Å; K582-Y644 WeakPolarHBondContact O-CD2 3.47Å; K582-I894 HydrophobicContact CB-CG2 4.17Å; K582-P895 VanDerWaalsContact CA-O 3.28Å; K582-P895 WeakPolarHBondContact CA-O 3.49Å; K582-P895 PolarHBondContact N-O 2.83Å
583K96.3Very high89.5Confident40 Ų4040.5 Ų40.517%0.17421%0.213CC..  trans-135.9156.2176.5-64.9-66.2-178.2176.80111.3V577 M578 G580 H642 G643 P895 V897V577-K583 WeakPolarHBondContact O-CD 3.21Å; V577-K583 VanDerWaalsContact O-CE 3.22Å; V577-K583 WeakPolarHBondContact O-CE 3.38Å; V577-K583 PolarHBondContact O-NZ 3.06Å; M578-K583 WeakPolarHBondContact O-CB 3.24Å; G580-K583 WeakPolarHBondContact O-CB 3.5Å; K583-H642 PolarHBondContact NZ-O 2.96Å; K583-G643 CarbonylContact C-O 3.57Å; K583-G643 VanDerWaalsContact CA-O 3.23Å; K583-G643 WeakPolarHBondContact CA-O 3.43Å; K583-G643 VanDerWaalsContact CD-O 3.29Å; K583-G643 WeakPolarHBondContact CD-O 3.42Å; K583-P895 PolarHBondContact N-O 3.16Å; K583-P895 VanDerWaalsContact N-O 3.17Å; K583-P895 CarbonylContact O-C 3.54Å; K583-P895 VanDerWaalsContact O-C 3.32Å; K583-P895 VanDerWaalsContact O-CB 3.25Å; K583-P895 WeakPolarHBondContact O-CB 3.48Å; K583-P895 WeakPolarHBondContact O-CG 3.23Å; K583-V897 HydrophobicContact CB-CB 4.03Å; K583-V897 HydrophobicContact CB-CG2 3.93Å
584G97Very high90.8Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans80-158.4-168.700000112.5G643 Y644 V645G584-G643 PolarHBondContact N-O 3.3Å; G584-Y644 WeakPolarHBondContact O-CA 3.08Å; G584-V645 PolarHBondContact O-N 3.36Å; G584-V645 VanDerWaalsContact O-N 3.1Å
585I98.1Very high92.4Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-91.2127.4-178.9-60.6177.3000109.1G587 D595 L598 I635 L639 V645 V650 F879 S881 P895I585-G587 PolarHBondContact O-N 2.94Å; I585-D595 HydrophobicContact CB-CB 4.28Å; I585-D595 HydrophobicContact CG2-CB 4.06Å; I585-L598 HydrophobicContact CD1-CB 3.7Å; I585-I635 HydrophobicContact CD1-CG2 4.33Å; I585-L639 HydrophobicContact CD1-CD2 4.31Å; I585-L639 HydrophobicContact CG1-CD1 4.3Å; I585-L639 HydrophobicContact CG1-CD2 4.31Å; I585-V645 HydrophobicContact CG1-CB 4.23Å; I585-V645 HydrophobicContact CG1-CG2 4.31Å; I585-V650 HydrophobicContact CG2-CG2 3.47Å; I585-V650 VanDerWaalsContact CG2-CG2 3.47Å; I585-F879 HydrophobicContact CB-CZ 4.04Å; I585-F879 VanDerWaalsContact N-CE2 3.35Å; I585-F879 VanDerWaalsContact O-CZ 3.3Å; I585-F879 WeakPolarHBondContact O-CZ 3.37Å; I585-S881 VanDerWaalsContact O-CB 3.27Å; I585-S881 WeakPolarHBondContact O-CB 3.33Å; I585-P895 WeakPolarHBondContact O-CB 3.37Å
586Q95.1Very high93.1Very high2 Ų232.6 Ų32.61%0.00917%0.165CC..  trans-73.8115.9178-178.1-176.341.200111.1Y644 V645 A647 N893 P895Q586-Y644 HydrophobicContact CB-CE2 4.1Å; Q586-Y644 PolarHBondContact OE1-OH 2.85Å; Q586-V645 VanDerWaalsContact CB-O 3.32Å; Q586-V645 WeakPolarHBondContact CB-O 3.38Å; Q586-V645 PolarHBondContact N-O 3.09Å; Q586-A647 HydrophobicContact CB-CB 4.34Å; Q586-A647 HydrophobicContact CG-CB 4.04Å; Q586-A647 WeakPolarHBondContact O-CA 3.4Å; Q586-A647 WeakPolarHBondContact O-CB 3.3Å; Q586-N893 WeakPolarHBondContact CG-O 3.25Å; Q586-N893 PolarHBondContact NE2-O 2.88Å; Q586-P895 HydrophobicContact CB-CG 4.08Å
587G92.8Very high94Very high1 Ų126.4 Ų26.41%0.0113%0.132CC..  trans-81.2148.6177.900000113.7I585 S591 D595 S881 N893I585-G587 PolarHBondContact O-N 2.94Å; G587-S591 VanDerWaalsContact CA-OG 3.24Å; G587-S591 WeakPolarHBondContact CA-OG 3.33Å; G587-D595 WeakPolarHBondContact CA-OD2 3.23Å; G587-S881 PolarHBondContact N-O 3.31Å; G587-N893 WeakPolarHBondContact O-CB 3.18Å; G587-N893 PolarHBondContact O-ND2 3.08Å
588H87.8Confident94.4Very high26 Ų2624.7 Ų24.712%0.1212%0.122CC..  trans-157.2127.3-179.1-177.365.2000111.5C549 S591 A647 R654C549-H588 PolarHBondContact SG-NE2 3.44Å; H588-S591 PolarHBondContact N-OG 3.39Å; H588-S591 WeakPolarHBondContact O-CB 3.44Å; H588-S591 PolarHBondContact O-OG 3Å; H588-A647 HydrophobicContact CB-CB 3.62Å; H588-R654 PolarHBondContact O-NH1 3.16Å
589Y83.6Confident94.7Very high101 Ų10124.6 Ų24.640%0.39612%0.121SC..SBendtrans44.377.9-176-60.8-50000114P545 S591 R654P545-Y589 HydrophobicContact CB-CE2 4.05Å; Y589-S591 PolarHBondContact O-N 2.77Å; Y589-S591 VanDerWaalsContact O-N 3.14Å; Y589-R654 PolarHBondContact O-NH1 2.95Å
590N89.6Confident94.9Very high87 Ų8722.8 Ų22.847%0.46511%0.11SC..SBendtrans61.920.3173.2-49.7-34.8000115.3C592 Y593 S668 E670N590-C592 VanDerWaalsContact C-N 3.27Å; N590-C592 PolarHBondContact O-N 2.71Å; N590-Y593 WeakPolarHBondContact O-CD1 3.45Å; N590-Y593 WeakPolarHBondContact O-CE1 3.35Å; N590-S668 PolarHBondContact ND2-O 2.79Å; N590-E670 HydrophobicContact CB-CB 4.22Å
591S94.4Very high95Very high1 Ų121.5 Ų21.51%0.00710%0.097CC..THydrogen-bonded Turntrans-75.1-4.6-178.459.50000115.8G587 H588 Y589 Y593 L594 D595G587-S591 VanDerWaalsContact CA-OG 3.24Å; G587-S591 WeakPolarHBondContact CA-OG 3.33Å; H588-S591 PolarHBondContact N-OG 3.39Å; H588-S591 WeakPolarHBondContact O-CB 3.44Å; H588-S591 PolarHBondContact O-OG 3Å; Y589-S591 PolarHBondContact O-N 2.77Å; Y589-S591 VanDerWaalsContact O-N 3.14Å; S591-Y593 PolarHBondContact O-N 2.67Å; S591-Y593 VanDerWaalsContact O-N 3.09Å; S591-L594 WeakPolarHBondContact O-CA 3.43Å; S591-L594 WeakPolarHBondContact O-CB 3.22Å; S591-L594 PolarHBondContact O-N 2.62Å; S591-D595 WeakPolarHBondContact CB-OD2 3.28Å; S591-D595 VanDerWaalsContact O-CG 3.24Å; S591-D595 PolarHBondContact O-N 2.88Å; S591-D595 PolarHBondContact OG-OD1 3.23Å; S591-D595 PolarHBondContact OG-OD2 2.93Å
592C95.9Very high95.1Very high3 Ų315.7 Ų15.72%0.027%0.071CC..Hα-helixtrans-56.4-32.9-167.751.60000114N590 L594 D595 S596 H862 M882N590-C592 VanDerWaalsContact C-N 3.27Å; N590-C592 PolarHBondContact O-N 2.71Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 3.38Å; C592-D595 WeakPolarHBondContact CA-OD2 3.27Å; C592-D595 PolarHBondContact N-OD2 2.96Å; C592-D595 PolarHBondContact O-N 3.35Å; C592-S596 VanDerWaalsContact O-CB 3.32Å; C592-S596 WeakPolarHBondContact O-CB 3.24Å; C592-S596 PolarHBondContact O-N 2.68Å; C592-S596 PolarHBondContact O-OG 2.98Å; C592-H862 VanDerWaalsContact CB-ND1 3.25Å; C592-H862 WeakPolarHBondContact CB-ND1 3.48Å; C592-H862 PolarHBondContact SG-ND1 2.98Å; C592-H862 VanDerWaalsContact SG-ND1 3.44Å; C592-M882 HydrophobicContact CB-CE 4.13Å
593Y95.9Very high95.3Very high0 Ų012.7 Ų12.70%06%0.059CC..Hα-helixtrans-56.6-40.6172.969.6-86.5000112.7N590 S591 T597 R654 F666 K671 F676N590-Y593 WeakPolarHBondContact O-CD1 3.45Å; N590-Y593 WeakPolarHBondContact O-CE1 3.35Å; S591-Y593 PolarHBondContact O-N 2.67Å; S591-Y593 VanDerWaalsContact O-N 3.09Å; Y593-T597 WeakPolarHBondContact O-CB 3.25Å; Y593-T597 PolarHBondContact O-N 2.79Å; Y593-T597 PolarHBondContact O-OG1 3.48Å; Y593-R654 PolarHBondContact OH-NE 2.88Å; Y593-R654 PolarHBondContact OH-NH2 2.83Å; Y593-F666 HydrophobicContact CE2-CE1 4.16Å; Y593-F666 PolarHBondContact OH-O 3.17Å; Y593-K671 WeakPolarHBondContact CB-O 3.45Å; Y593-K671 HydrophobicContact CD1-CB 4.35Å; Y593-K671 HydrophobicContact CD2-CB 4.03Å; Y593-K671 HydrophobicContact CE1-CB 4.05Å; Y593-K671 HydrophobicContact CE1-CG 4.33Å; Y593-K671 HydrophobicContact CE2-CB 3.7Å; Y593-K671 HydrophobicContact CE2-CG 4.33Å; Y593-K671 HydrophobicContact CG-CB 4.35Å; Y593-K671 VanDerWaalsContact CG-O 3.23Å; Y593-F676 HydrophobicContact CD2-CB 4.05Å; Y593-F676 HydrophobicContact CD2-CG 4.5Å; Y593-F676 HydrophobicContact CE2-CB 4.1Å; Y593-F676 HydrophobicContact CE2-CG 4.5Å
594L96.6Very high95.1Very high0 Ų011.8 Ų11.80%06%0.055CC..Hα-helixtrans-81.1-46.6178.8-177.3164.6000110.2S591 C592 S596 T597 L598 V650 L653 R654 L657 F676S591-L594 WeakPolarHBondContact O-CA 3.43Å; S591-L594 WeakPolarHBondContact O-CB 3.22Å; S591-L594 PolarHBondContact O-N 2.62Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 3.38Å; L594-S596 PolarHBondContact O-N 2.78Å; L594-T597 PolarHBondContact O-N 3.15Å; L594-L598 HydrophobicContact CD2-CD1 3.53Å; L594-L598 HydrophobicContact CD2-CG 4.04Å; L594-L598 HydrophobicContact CG-CD1 4.4Å; L594-L598 WeakPolarHBondContact O-CB 3.46Å; L594-L598 WeakPolarHBondContact O-CG 3.37Å; L594-L598 PolarHBondContact O-N 2.82Å; L594-V650 HydrophobicContact CD1-CG1 4.28Å; L594-V650 HydrophobicContact CD2-CB 4.48Å; L594-V650 HydrophobicContact CD2-CG1 3.71Å; L594-V650 HydrophobicContact CD2-CG2 4.17Å; L594-L653 HydrophobicContact CD1-CD2 4.24Å; L594-L653 HydrophobicContact CD1-CG 4.49Å; L594-L653 HydrophobicContact CD2-CD2 4.41Å; L594-R654 HydrophobicContact CD1-CG 3.69Å; L594-L657 HydrophobicContact CD1-CD1 4.09Å; L594-F676 HydrophobicContact CD1-CD2 4.33Å; L594-F676 HydrophobicContact CD1-CE2 3.97Å; L594-F676 HydrophobicContact CD1-CZ 4.44Å; L594-F676 HydrophobicContact CG-CD2 4.33Å; L594-F676 HydrophobicContact CG-CE1 4.3Å; L594-F676 HydrophobicContact CG-CE2 3.85Å; L594-F676 HydrophobicContact CG-CZ 3.83Å
595D97.8Very high94.8Very high0 Ų011.9 Ų11.90%06%0.056CC..Hα-helixtrans-57.2-52.1-177.6-51.9-37.4000111.1I585 G587 S591 C592 F599 F879 S881I585-D595 HydrophobicContact CB-CB 4.28Å; I585-D595 HydrophobicContact CG2-CB 4.06Å; G587-D595 WeakPolarHBondContact CA-OD2 3.23Å; S591-D595 WeakPolarHBondContact CB-OD2 3.28Å; S591-D595 VanDerWaalsContact O-CG 3.24Å; S591-D595 PolarHBondContact O-N 2.88Å; S591-D595 PolarHBondContact OG-OD1 3.23Å; S591-D595 PolarHBondContact OG-OD2 2.93Å; C592-D595 WeakPolarHBondContact CA-OD2 3.27Å; C592-D595 PolarHBondContact N-OD2 2.96Å; C592-D595 PolarHBondContact O-N 3.35Å; D595-F599 WeakPolarHBondContact O-CB 3.44Å; D595-F599 PolarHBondContact O-N 3.35Å; D595-F879 HydrophobicContact CB-CE1 4.41Å; D595-F879 HydrophobicContact CB-CZ 4.42Å; D595-S881 VanDerWaalsContact OD2-CB 3.29Å; D595-S881 WeakPolarHBondContact OD2-CB 3.4Å; D595-S881 PolarHBondContact OD2-OG 3.16Å
596S98.4Very high94.6Very high0 Ų012.5 Ų12.50%06%0.06CC..Hα-helixtrans-71.1-34.8-177.9-680000112C592 L594 F599 C600 Y863 V864C592-S596 VanDerWaalsContact O-CB 3.32Å; C592-S596 WeakPolarHBondContact O-CB 3.24Å; C592-S596 PolarHBondContact O-N 2.68Å; C592-S596 PolarHBondContact O-OG 2.98Å; L594-S596 PolarHBondContact O-N 2.78Å; S596-F599 PolarHBondContact O-N 3.42Å; S596-C600 WeakPolarHBondContact O-CB 3.38Å; S596-C600 PolarHBondContact O-N 2.72Å; S596-C600 PolarHBondContact O-SG 2.83Å; S596-Y863 PolarHBondContact OG-O 2.72Å; S596-V864 WeakPolarHBondContact OG-CA 3.46Å
597T98.3Very high94.4Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-68-44176-590000111.8Y593 L594 F599 C600 L601 F676 L677 L856Y593-T597 WeakPolarHBondContact O-CB 3.25Å; Y593-T597 PolarHBondContact O-N 2.79Å; Y593-T597 PolarHBondContact O-OG1 3.48Å; L594-T597 PolarHBondContact O-N 3.15Å; T597-F599 VanDerWaalsContact C-N 3.34Å; T597-C600 PolarHBondContact O-N 3.44Å; T597-L601 HydrophobicContact CG2-CD1 3.91Å; T597-L601 WeakPolarHBondContact O-CB 3.37Å; T597-L601 WeakPolarHBondContact O-CG 3.35Å; T597-L601 PolarHBondContact O-N 3.26Å; T597-F676 HydrophobicContact CG2-CD1 3.96Å; T597-F676 HydrophobicContact CG2-CE1 3.78Å; T597-L677 HydrophobicContact CG2-CD1 4.2Å; T597-L677 HydrophobicContact CG2-CD2 3.79Å; T597-L677 HydrophobicContact CG2-CG 4.07Å; T597-L856 VanDerWaalsContact OG1-CD1 3.23Å; T597-L856 WeakPolarHBondContact OG1-CD1 3.47Å
598L98.3Very high94.5Very high2 Ų213.4 Ų13.41%0.017%0.065CC..Hα-helixtrans-65.9-37.6174.7-71.9-171000112I585 L594 F602 L631 I635 L653 F676I585-L598 HydrophobicContact CD1-CB 3.7Å; L594-L598 HydrophobicContact CD2-CD1 3.53Å; L594-L598 HydrophobicContact CD2-CG 4.04Å; L594-L598 HydrophobicContact CG-CD1 4.4Å; L594-L598 WeakPolarHBondContact O-CB 3.46Å; L594-L598 WeakPolarHBondContact O-CG 3.37Å; L594-L598 PolarHBondContact O-N 2.82Å; L598-F602 HydrophobicContact CD2-CD2 3.95Å; L598-F602 HydrophobicContact CD2-CE2 3.8Å; L598-F602 PolarHBondContact O-N 3.44Å; L598-F602 VanDerWaalsContact O-N 3.1Å; L598-L631 HydrophobicContact CD1-CD1 3.9Å; L598-L631 HydrophobicContact CD2-CD1 3.85Å; L598-I635 HydrophobicContact CD1-CD1 4.41Å; L598-I635 HydrophobicContact CD1-CG2 4.13Å; L598-L653 HydrophobicContact CD1-CD2 3.94Å; L598-F676 HydrophobicContact CD2-CE1 4.23Å; L598-F676 HydrophobicContact CD2-CZ 3.82Å; L598-F676 HydrophobicContact CG-CE1 4.34Å; L598-F676 HydrophobicContact CG-CZ 4Å
599F98.4Very high94.7Very high0 Ų012.2 Ų12.20%06%0.06CC..Hα-helixtrans-64.3-46.1175.1-168.7-89.9000111.5D595 S596 T597 L601 S603 L639 A865 V867 F879 V897D595-F599 WeakPolarHBondContact O-CB 3.44Å; D595-F599 PolarHBondContact O-N 3.35Å; S596-F599 PolarHBondContact O-N 3.42Å; T597-F599 VanDerWaalsContact C-N 3.34Å; F599-L601 PolarHBondContact O-N 2.81Å; F599-S603 WeakPolarHBondContact O-CB 3.27Å; F599-S603 PolarHBondContact O-N 3.25Å; F599-S603 VanDerWaalsContact O-N 3.14Å; F599-S603 PolarHBondContact O-OG 2.79Å; F599-L639 HydrophobicContact CD2-CD1 4.16Å; F599-L639 HydrophobicContact CD2-CD2 4.14Å; F599-L639 HydrophobicContact CE2-CD1 4.18Å; F599-A865 HydrophobicContact CD1-CB 4.08Å; F599-V867 HydrophobicContact CD1-CG2 3.65Å; F599-V867 HydrophobicContact CE1-CB 4.31Å; F599-V867 HydrophobicContact CE1-CG2 3.67Å; F599-F879 HydrophobicContact CB-CD1 3.54Å; F599-F879 HydrophobicContact CB-CE1 3.59Å; F599-F879 HydrophobicContact CB-CG 4.35Å; F599-F879 HydrophobicContact CB-CZ 4.43Å; F599-F879 HydrophobicContact CD1-CB 3.63Å; F599-F879 AromaticContact CD1-CD1 3.61Å; F599-F879 HydrophobicContact CD1-CD1 3.61Å; F599-F879 HydrophobicContact CD1-CE1 4.47Å; F599-F879 AromaticContact CD1-CG 3.71Å; F599-F879 HydrophobicContact CD1-CG 3.71Å; F599-F879 AromaticContact CD2-CD1 3.97Å; F599-F879 HydrophobicContact CD2-CD1 3.97Å; F599-F879 HydrophobicContact CD2-CD2 4.18Å; F599-F879 HydrophobicContact CD2-CE1 4.21Å; F599-F879 HydrophobicContact CD2-CE2 4.42Å; F599-F879 AromaticContact CD2-CG 3.94Å; F599-F879 HydrophobicContact CD2-CG 3.94Å; F599-F879 HydrophobicContact CD2-CZ 4.42Å; F599-F879 HydrophobicContact CE1-CB 3.47Å; F599-F879 VanDerWaalsContact CE1-CB 3.47Å; F599-F879 HydrophobicContact CE1-CD1 4.31Å; F599-F879 AromaticContact CE1-CG 3.93Å; F599-F879 HydrophobicContact CE1-CG 3.93Å; F599-F879 HydrophobicContact CE2-CB 4.4Å; F599-F879 HydrophobicContact CE2-CD2 4.23Å; F599-F879 HydrophobicContact CE2-CG 4.14Å; F599-F879 HydrophobicContact CG-CB 4.18Å; F599-F879 AromaticContact CG-CD1 3.41Å; F599-F879 HydrophobicContact CG-CD1 3.41Å; F599-F879 VanDerWaalsContact CG-CD1 3.41Å; F599-F879 HydrophobicContact CG-CD2 4.4Å; F599-F879 AromaticContact CG-CE1 3.85Å; F599-F879 HydrophobicContact CG-CE1 3.85Å; F599-F879 AromaticContact CG-CG 3.72Å; F599-F879 HydrophobicContact CG-CG 3.72Å; F599-F879 HydrophobicContact CG-CZ 4.5Å; F599-F879 HydrophobicContact CZ-CB 3.89Å; F599-F879 HydrophobicContact CZ-CG 4.14Å; F599-V897 HydrophobicContact CE2-CG2 3.95Å; F599-V897 HydrophobicContact CZ-CG1 4.41Å; F599-V897 HydrophobicContact CZ-CG2 3.84Å
600C98.4Very high95.1Very high0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-54.9-52.6173.7-72.80000112.1S596 T597 F853 A854 A865 M937S596-C600 WeakPolarHBondContact O-CB 3.38Å; S596-C600 PolarHBondContact O-N 2.72Å; S596-C600 PolarHBondContact O-SG 2.83Å; T597-C600 PolarHBondContact O-N 3.44Å; C600-F853 WeakPolarHBondContact O-CE2 3.46Å; C600-A854 HydrophobicContact CB-CB 3.71Å; C600-A865 WeakPolarHBondContact SG-CB 3.27Å; C600-M937 HydrophobicContact CB-CE 3.94Å; C600-M937 HydrophobicContact CB-SD 3.66Å
601L96.8Very high95.3Very high1 Ų17.4 Ų7.41%0.0054%0.044CC..Hα-helixtrans-74.9-27.2-169.5-69.2175.3000114.9T597 F599 L608 L677 F681 I744 F853 M937T597-L601 HydrophobicContact CG2-CD1 3.91Å; T597-L601 WeakPolarHBondContact O-CB 3.37Å; T597-L601 WeakPolarHBondContact O-CG 3.35Å; T597-L601 PolarHBondContact O-N 3.26Å; F599-L601 PolarHBondContact O-N 2.81Å; L601-L608 HydrophobicContact CB-CD1 4.49Å; L601-L608 HydrophobicContact CD1-CD1 4.09Å; L601-L608 HydrophobicContact CD2-CD1 3.96Å; L601-L608 HydrophobicContact CG-CD1 4.43Å; L601-L677 HydrophobicContact CD1-CD2 3.74Å; L601-F681 HydrophobicContact CD1-CZ 4.03Å; L601-I744 HydrophobicContact CD2-CD1 4.13Å; L601-F853 HydrophobicContact CD2-CZ 4.26Å; L601-M937 HydrophobicContact CD2-SD 3.61Å; L601-M937 HydrophobicContact CG-SD 4.11Å
602F96.3Very high95.3Very high1 Ų17.6 Ų7.60%0.0045%0.045CC..Hα-helixtrans-128.9-8.1-168-61.5-72.4000116.2L598 L608 L612 L631 V636 R640L598-F602 HydrophobicContact CD2-CD2 3.95Å; L598-F602 HydrophobicContact CD2-CE2 3.8Å; L598-F602 PolarHBondContact O-N 3.44Å; L598-F602 VanDerWaalsContact O-N 3.1Å; F602-L608 HydrophobicContact CE1-CB 3.79Å; F602-L608 HydrophobicContact CZ-CB 4.13Å; F602-L608 HydrophobicContact CZ-CD1 4.49Å; F602-L612 HydrophobicContact CD1-CD1 3.87Å; F602-L612 HydrophobicContact CD1-CG 4.48Å; F602-L612 HydrophobicContact CE1-CD1 3.85Å; F602-L612 HydrophobicContact CE1-CD2 4.08Å; F602-L612 HydrophobicContact CE1-CG 3.95Å; F602-L612 HydrophobicContact CZ-CD2 4.27Å; F602-L631 HydrophobicContact CE2-CD2 4.41Å; F602-L631 HydrophobicContact CZ-CD2 4.42Å; F602-V636 HydrophobicContact CB-CB 4.4Å; F602-V636 HydrophobicContact CB-CG1 3.91Å; F602-V636 HydrophobicContact CB-CG2 3.62Å; F602-V636 HydrophobicContact CD1-CG1 4.44Å; F602-V636 HydrophobicContact CD1-CG2 4.08Å; F602-V636 HydrophobicContact CD2-CG2 3.99Å; F602-V636 HydrophobicContact CG-CG1 4.42Å; F602-V636 HydrophobicContact CG-CG2 3.63Å; F602-R640 PolarHBondContact O-NE 2.89Å; F602-R640 PolarHBondContact O-NH2 2.64Å; F602-R640 VanDerWaalsContact O-NH2 3.08Å
603S94.7Very high95.2Very high1 Ų110.4 Ų10.41%0.0076%0.059CC..SBendtrans-65.4-56.1179.955.80000112.4F599F599-S603 WeakPolarHBondContact O-CB 3.27Å; F599-S603 PolarHBondContact O-N 3.25Å; F599-S603 VanDerWaalsContact O-N 3.14Å; F599-S603 PolarHBondContact O-OG 2.79Å
604F92.8Very high95.1Very high22 Ų2213.4 Ų13.410%0.0967%0.071CC..SBendtrans-122.8-15.1-177.5-62.6-83.2000114.4P568 R569 L575 M578 V867 L877P568-F604 VanDerWaalsContact CB-O 3.22Å; P568-F604 WeakPolarHBondContact CB-O 3.29Å; R569-F604 HydrophobicContact CB-CE1 4.46Å; L575-F604 HydrophobicContact CD1-CE1 3.85Å; L575-F604 HydrophobicContact CD1-CZ 4.21Å; M578-F604 HydrophobicContact CB-CZ 3.96Å; M578-F604 HydrophobicContact CE-CE1 4.48Å; M578-F604 HydrophobicContact CE-CE2 3.86Å; M578-F604 HydrophobicContact CE-CZ 3.73Å; M578-F604 HydrophobicContact CG-CE1 4.21Å; M578-F604 HydrophobicContact CG-CZ 3.78Å; F604-V867 HydrophobicContact CB-CG1 4.24Å; F604-V867 HydrophobicContact CD2-CG1 3.87Å; F604-L877 HydrophobicContact CE2-CD1 3.57Å; F604-L877 HydrophobicContact CZ-CD1 3.63Å
605S91.9Very high94.9Very high2 Ų218.5 Ų18.51%0.01410%0.104CC..  trans-83.4149.8169.6-174.30000111.7V607 R640 Q939S605-V607 WeakPolarHBondContact OG-CB 3.32Å; S605-V607 VanDerWaalsContact OG-CG1 3.31Å; S605-V607 WeakPolarHBondContact OG-CG1 3.22Å; S605-V607 PolarHBondContact OG-N 3.17Å; S605-R640 PolarHBondContact O-NH2 3.11Å; S605-Q939 PolarHBondContact OG-OE1 2.85Å
606S92.1Very high94.6Very high13 Ų1324 Ų249%0.09112%0.124CC..  trans-112.36.516757.30000113.2L608 D609S606-L608 PolarHBondContact O-N 2.86Å; S606-L608 VanDerWaalsContact O-N 3.09Å; S606-D609 WeakPolarHBondContact CB-OD2 3.23Å; S606-D609 WeakPolarHBondContact O-CB 3.4Å; S606-D609 PolarHBondContact O-N 2.73Å
607V91.9Very high94.4Very high18 Ų1826.1 Ų26.111%0.10914%0.14CC..THydrogen-bonded Turntrans-64.1-22.5-167.478.20000113.4S605 S741 C742 F853 Q939S605-V607 WeakPolarHBondContact OG-CB 3.32Å; S605-V607 VanDerWaalsContact OG-CG1 3.31Å; S605-V607 WeakPolarHBondContact OG-CG1 3.22Å; S605-V607 PolarHBondContact OG-N 3.17Å; V607-S741 VanDerWaalsContact CG2-O 3.3Å; V607-S741 WeakPolarHBondContact CG2-O 3.48Å; V607-C742 HydrophobicContact CG1-CB 3.87Å; V607-C742 HydrophobicContact CG2-CB 3.8Å; V607-F853 HydrophobicContact CG1-CE1 4.4Å; V607-F853 HydrophobicContact CG1-CZ 4.22Å; V607-Q939 HydrophobicContact CB-CB 4.24Å; V607-Q939 HydrophobicContact CG2-CB 4.04Å
608L93.9Very high94.1Very high3 Ų336.6 Ų36.62%0.01619%0.185CC..THydrogen-bonded Turntrans-110.910.1175.1-57.8-174.5000113.9L601 F602 S606 T610 V611 F681 L690 C742L601-L608 HydrophobicContact CB-CD1 4.49Å; L601-L608 HydrophobicContact CD1-CD1 4.09Å; L601-L608 HydrophobicContact CD2-CD1 3.96Å; L601-L608 HydrophobicContact CG-CD1 4.43Å; F602-L608 HydrophobicContact CE1-CB 3.79Å; F602-L608 HydrophobicContact CZ-CB 4.13Å; F602-L608 HydrophobicContact CZ-CD1 4.49Å; S606-L608 PolarHBondContact O-N 2.86Å; S606-L608 VanDerWaalsContact O-N 3.09Å; L608-T610 PolarHBondContact O-N 3.39Å; L608-V611 HydrophobicContact CB-CG2 4.32Å; L608-V611 WeakPolarHBondContact O-CB 3.33Å; L608-V611 WeakPolarHBondContact O-CG2 3.28Å; L608-V611 PolarHBondContact O-N 2.73Å; L608-F681 HydrophobicContact CD1-CE1 4.39Å; L608-F681 HydrophobicContact CD1-CE2 3.88Å; L608-F681 HydrophobicContact CD1-CZ 3.47Å; L608-F681 VanDerWaalsContact CD1-CZ 3.47Å; L608-L690 HydrophobicContact CD2-CD1 4.17Å; L608-L690 HydrophobicContact CD2-CD2 3.79Å; L608-C742 HydrophobicContact CD2-CB 4.39Å
609D93.6Very high93.8Very high2 Ų241.1 Ų41.11%0.01121%0.213CC..Hα-helixtrans-65.7-22.8-178.1-74.15.1000112.5S606 V611 L612 L613 R640 L945 Y946S606-D609 WeakPolarHBondContact CB-OD2 3.23Å; S606-D609 WeakPolarHBondContact O-CB 3.4Å; S606-D609 PolarHBondContact O-N 2.73Å; D609-V611 PolarHBondContact O-N 2.95Å; D609-L612 WeakPolarHBondContact O-CB 3.3Å; D609-L612 PolarHBondContact O-N 3.37Å; D609-L613 VanDerWaalsContact O-CG 3.31Å; D609-L613 WeakPolarHBondContact O-CG 3.34Å; D609-L613 PolarHBondContact O-N 2.63Å; D609-L613 VanDerWaalsContact O-N 3.14Å; D609-R640 IonicContact OD1-CZ 2.73Å; D609-R640 IonicContact OD1-NH1 3.89Å; D609-R640 PolarHBondContact OD1-NH1 2.85Å; D609-R640 IonicContact OD1-NH2 2.68Å; D609-R640 PolarHBondContact OD1-NH2 2.98Å; D609-R640 IonicContact OD2-CZ 3.64Å; D609-R640 IonicContact OD2-NH1 3.63Å; D609-R640 PolarHBondContact OD2-NH1 3.33Å; D609-R640 IonicContact OD2-NH2 3.07Å; D609-R640 PolarHBondContact OD2-NH2 3.3Å; D609-R640 VanDerWaalsContact OD2-NH2 3.13Å; D609-L945 HydrophobicContact CB-CD2 3.72Å; D609-Y946 HydrophobicContact CB-CE2 4.33Å; D609-Y946 WeakPolarHBondContact OD2-CE2 3.25Å
610T91.9Very high93.5Very high78 Ų7841.5 Ų41.548%0.47922%0.215SC..Hα-helixtrans-57.3-33.6168.553.60000112.4L608 L613 R614 L945L608-T610 PolarHBondContact O-N 3.39Å; T610-L613 PolarHBondContact O-N 3.35Å; T610-R614 WeakPolarHBondContact O-CB 3.39Å; T610-R614 PolarHBondContact O-N 3.46Å; T610-L945 HydrophobicContact CG2-CD1 4.02Å; T610-L945 HydrophobicContact CG2-CD2 4.19Å
611V93.4Very high93.2Very high8 Ų844.1 Ų44.15%0.04823%0.231CC..Hα-helixtrans-67.1-38.5174.8-1780000111L608 D609 L613 Q628 L685 V687L608-V611 HydrophobicContact CB-CG2 4.32Å; L608-V611 WeakPolarHBondContact O-CB 3.33Å; L608-V611 WeakPolarHBondContact O-CG2 3.28Å; L608-V611 PolarHBondContact O-N 2.73Å; D609-V611 PolarHBondContact O-N 2.95Å; V611-L613 PolarHBondContact O-N 3.46Å; V611-Q628 PolarHBondContact O-NE2 3.43Å; V611-L685 HydrophobicContact CG1-CB 4.06Å; V611-L685 HydrophobicContact CG1-CD1 3.7Å; V611-L685 HydrophobicContact CG1-CG 4.44Å; V611-V687 HydrophobicContact CB-CG2 4.34Å; V611-V687 HydrophobicContact CG1-CG2 3.57Å; V611-V687 HydrophobicContact CG2-CB 4.42Å; V611-V687 HydrophobicContact CG2-CG1 3.68Å; V611-V687 HydrophobicContact CG2-CG2 3.79Å
612L93.9Very high92.9Very high5 Ų551.3 Ų51.33%0.02626%0.264CS..Hα-helixtrans-70.4-21.2176.8-54.6-179.1000112.4F602 D609 Q628 L631 R632 V636F602-L612 HydrophobicContact CD1-CD1 3.87Å; F602-L612 HydrophobicContact CD1-CG 4.48Å; F602-L612 HydrophobicContact CE1-CD1 3.85Å; F602-L612 HydrophobicContact CE1-CD2 4.08Å; F602-L612 HydrophobicContact CE1-CG 3.95Å; F602-L612 HydrophobicContact CZ-CD2 4.27Å; D609-L612 WeakPolarHBondContact O-CB 3.3Å; D609-L612 PolarHBondContact O-N 3.37Å; L612-Q628 WeakPolarHBondContact O-CG 3.37Å; L612-Q628 PolarHBondContact O-NE2 3.01Å; L612-L631 HydrophobicContact CD2-CB 4.33Å; L612-L631 HydrophobicContact CD2-CD2 3.66Å; L612-L631 HydrophobicContact CD2-CG 3.72Å; L612-R632 HydrophobicContact CB-CB 4.26Å; L612-R632 HydrophobicContact CB-CG 4.23Å; L612-R632 WeakPolarHBondContact O-CD 3.24Å; L612-R632 PolarHBondContact O-NH1 2.69Å; L612-V636 HydrophobicContact CD1-CB 4.01Å; L612-V636 HydrophobicContact CD1-CG1 3.76Å; L612-V636 HydrophobicContact CD1-CG2 4.03Å
613L93.1Very high92.7Very high63 Ų6354.3 Ų54.333%0.3328%0.276SS..Hα-helixtrans-108.6-14.3-173.6-63.4171.4000114.3N565 D609 T610 V611 L945N565-L613 WeakPolarHBondContact OD1-CD2 3.46Å; D609-L613 VanDerWaalsContact O-CG 3.31Å; D609-L613 WeakPolarHBondContact O-CG 3.34Å; D609-L613 PolarHBondContact O-N 2.63Å; D609-L613 VanDerWaalsContact O-N 3.14Å; T610-L613 PolarHBondContact O-N 3.35Å; V611-L613 PolarHBondContact O-N 3.46Å; L613-L945 HydrophobicContact CD1-CD2 3.9Å
614R93.8Very high92.7Very high62 Ų6254.3 Ų54.323%0.23428%0.276CS..PPolyproline II helixtrans-58.8123.3-177.7-176.3175.977.878-25.5111.8T610 D620 Y624 Q628 L685 R686T610-R614 WeakPolarHBondContact O-CB 3.39Å; T610-R614 PolarHBondContact O-N 3.46Å; R614-D620 IonicContact CZ-OD1 2.72Å; R614-D620 IonicContact CZ-OD2 3.13Å; R614-D620 IonicContact NH1-OD1 3Å; R614-D620 IonicContact NH1-OD2 2.8Å; R614-D620 PolarHBondContact NH1-OD2 3.42Å; R614-D620 VanDerWaalsContact NH2-CG 3.34Å; R614-D620 IonicContact NH2-OD1 3.13Å; R614-D620 PolarHBondContact NH2-OD1 2.8Å; R614-D620 IonicContact NH2-OD2 3.62Å; R614-D620 PolarHBondContact NH2-OD2 3.2Å; R614-Y624 PolarHBondContact NE-OH 2.63Å; R614-Y624 PolarHBondContact NH1-OH 2.77Å; R614-Y624 VanDerWaalsContact NH2-CE2 3.25Å; R614-Y624 PolarHBondContact O-OH 3.14Å; R614-Q628 PolarHBondContact O-NE2 2.91Å; R614-Q628 PolarHBondContact O-OE1 3.07Å; R614-L685 PolarHBondContact NH2-O 2.94Å; R614-R686 PolarHBondContact NH2-O 2.82Å
615P92.8Very high92.7Very high107 Ų10759.8 Ų59.870%0.69530%0.296SS*.PPolyproline II helixtrans-66146.1176.727.1-34.3000111.8S617P615-S617 PolarHBondContact O-N 2.89Å
616R92.9Very high92.9Very high115 Ų11564.2 Ų64.243%0.43432%0.316SS..PPolyproline II helixtrans-62127.3175.4-175.4176.6179.91782110.8D620 V621 E622 Y624R616-D620 HydrophobicContact CG-CB 4.19Å; R616-D620 PolarHBondContact NH2-O 3.17Å; R616-D620 VanDerWaalsContact NH2-O 3.15Å; R616-V621 PolarHBondContact NH2-O 3.43Å; R616-V621 VanDerWaalsContact NH2-O 3.07Å; R616-E622 PolarHBondContact NH1-O 2.88Å; R616-Y624 HydrophobicContact CB-CD1 3.65Å; R616-Y624 HydrophobicContact CB-CE1 3.69Å; R616-Y624 HydrophobicContact CG-CD1 3.66Å; R616-Y624 HydrophobicContact CG-CE1 4.16Å; R616-Y624 HydrophobicContact CG-CG 4.38Å
617S93Very high93.1Very high46 Ų4663.6 Ų63.632%0.32231%0.312SS..  trans-97176.7174.681.10000112.2P615 T619 D620P615-S617 PolarHBondContact O-N 2.89Å; S617-T619 VanDerWaalsContact C-N 3.25Å; S617-T619 PolarHBondContact O-N 2.91Å; S617-T619 PolarHBondContact OG-N 2.76Å; S617-T619 PolarHBondContact OG-OG1 2.99Å; S617-T619 VanDerWaalsContact OG-OG1 3.08Å; S617-D620 WeakPolarHBondContact CA-OD2 3.35Å; S617-D620 VanDerWaalsContact CB-OD2 3.25Å; S617-D620 WeakPolarHBondContact CB-OD2 3.48Å; S617-D620 PolarHBondContact N-OD2 3.05Å; S617-D620 PolarHBondContact OG-OD2 3.48Å
618K92.2Very high93.3Very high219 Ų21963.4 Ų63.495%0.95231%0.31SS*.THydrogen-bonded Turntrans-72.8-13.5174-67.3-175.3179-179.90114.1
619T91.5Very high93.4Very high97 Ų9766.7 Ų66.760%0.59533%0.325SS*.THydrogen-bonded Turntrans-101.85.2-178.350.40000113S617 R686S617-T619 VanDerWaalsContact C-N 3.25Å; S617-T619 PolarHBondContact O-N 2.91Å; S617-T619 PolarHBondContact OG-N 2.76Å; S617-T619 PolarHBondContact OG-OG1 2.99Å; S617-T619 VanDerWaalsContact OG-OG1 3.08Å; T619-R686 WeakPolarHBondContact O-CD 3.43Å; T619-R686 VanDerWaalsContact O-CZ 3.32Å; T619-R686 PolarHBondContact O-NE 2.57Å; T619-R686 PolarHBondContact O-NH1 2.84Å; T619-R686 PolarHBondContact OG1-NH1 2.89Å; T619-R686 VanDerWaalsContact OG1-NH1 3.14Å
620D92.8Very high93.5Very high9 Ų967 Ų675%0.04833%0.327CS..SBendtrans-95.6140.6-179.3-59.9-44.7000113R614 R616 S617 Y624 R686R614-D620 IonicContact CZ-OD1 2.72Å; R614-D620 IonicContact CZ-OD2 3.13Å; R614-D620 IonicContact NH1-OD1 3Å; R614-D620 IonicContact NH1-OD2 2.8Å; R614-D620 PolarHBondContact NH1-OD2 3.42Å; R614-D620 VanDerWaalsContact NH2-CG 3.34Å; R614-D620 IonicContact NH2-OD1 3.13Å; R614-D620 PolarHBondContact NH2-OD1 2.8Å; R614-D620 IonicContact NH2-OD2 3.62Å; R614-D620 PolarHBondContact NH2-OD2 3.2Å; R616-D620 HydrophobicContact CG-CB 4.19Å; R616-D620 PolarHBondContact NH2-O 3.17Å; R616-D620 VanDerWaalsContact NH2-O 3.15Å; S617-D620 WeakPolarHBondContact CA-OD2 3.35Å; S617-D620 VanDerWaalsContact CB-OD2 3.25Å; S617-D620 WeakPolarHBondContact CB-OD2 3.48Å; S617-D620 PolarHBondContact N-OD2 3.05Å; S617-D620 PolarHBondContact OG-OD2 3.48Å; D620-Y624 HydrophobicContact CB-CD1 4.38Å; D620-Y624 HydrophobicContact CB-CD2 3.82Å; D620-Y624 HydrophobicContact CB-CE2 4.48Å; D620-Y624 HydrophobicContact CB-CG 3.76Å; D620-R686 IonicContact OD1-CZ 3.62Å; D620-R686 IonicContact OD1-NH1 2.71Å; D620-R686 PolarHBondContact OD1-NH1 2.99Å
621V91.1Very high93.8Very high55 Ų5563.3 Ų63.333%0.33330%0.304SS..  trans-59.1164.1-175.7-56.90000113R616 Y623 Y624 H683 I684R616-V621 PolarHBondContact NH2-O 3.43Å; R616-V621 VanDerWaalsContact NH2-O 3.07Å; V621-Y623 PolarHBondContact O-N 3.42Å; V621-Y624 WeakPolarHBondContact O-CB 3.46Å; V621-Y624 PolarHBondContact O-N 3.01Å; V621-Y624 VanDerWaalsContact O-N 3.16Å; V621-H683 WeakPolarHBondContact CG1-O 3.28Å; V621-I684 HydrophobicContact CG2-CG2 4.42Å
622E90.9Very high94Very high151 Ų15165.3 Ų65.371%0.70631%0.311SS*.THydrogen-bonded Turntrans-53.1-52.7-178.9-173.9165-16700112.5R616 Y624R616-E622 PolarHBondContact NH1-O 2.88Å; E622-Y624 PolarHBondContact O-N 2.8Å
623Y91.4Very high94.1Very high65 Ų6565.5 Ų65.526%0.25531%0.312SS..THydrogen-bonded Turntrans-72.8-1.2-178.6-53.7-66.7000115.2V621 R625 E626 T627 I656 K659 V660V621-Y623 PolarHBondContact O-N 3.42Å; Y623-R625 VanDerWaalsContact C-N 3.33Å; Y623-R625 PolarHBondContact O-N 3.41Å; Y623-E626 WeakPolarHBondContact CD1-OE2 3.36Å; Y623-E626 PolarHBondContact O-N 2.72Å; Y623-T627 WeakPolarHBondContact O-CB 3.39Å; Y623-T627 PolarHBondContact O-N 2.83Å; Y623-T627 PolarHBondContact O-OG1 2.7Å; Y623-I656 HydrophobicContact CD1-CG2 4.45Å; Y623-I656 HydrophobicContact CG-CG2 4.11Å; Y623-K659 HydrophobicContact CE1-CD 3.85Å; Y623-K659 HydrophobicContact CE2-CB 4.24Å; Y623-V660 HydrophobicContact CD2-CG2 3.62Å; Y623-V660 HydrophobicContact CE2-CG2 4.24Å; Y623-V660 HydrophobicContact CG-CG2 4.36Å
624Y94.9Very high94.2Very high1 Ų163.9 Ų63.90%0.00430%0.303CS..Hα-helixtrans-52.9-50.3-177.9173.4-87.4000112R614 R616 D620 V621 E622 Q628 L685R614-Y624 PolarHBondContact NE-OH 2.63Å; R614-Y624 PolarHBondContact NH1-OH 2.77Å; R614-Y624 VanDerWaalsContact NH2-CE2 3.25Å; R614-Y624 PolarHBondContact O-OH 3.14Å; R616-Y624 HydrophobicContact CB-CD1 3.65Å; R616-Y624 HydrophobicContact CB-CE1 3.69Å; R616-Y624 HydrophobicContact CG-CD1 3.66Å; R616-Y624 HydrophobicContact CG-CE1 4.16Å; R616-Y624 HydrophobicContact CG-CG 4.38Å; D620-Y624 HydrophobicContact CB-CD1 4.38Å; D620-Y624 HydrophobicContact CB-CD2 3.82Å; D620-Y624 HydrophobicContact CB-CE2 4.48Å; D620-Y624 HydrophobicContact CB-CG 3.76Å; V621-Y624 WeakPolarHBondContact O-CB 3.46Å; V621-Y624 PolarHBondContact O-N 3.01Å; V621-Y624 VanDerWaalsContact O-N 3.16Å; E622-Y624 PolarHBondContact O-N 2.8Å; Y624-Q628 WeakPolarHBondContact O-CB 3.42Å; Y624-Q628 PolarHBondContact O-N 2.61Å; Y624-Q628 PolarHBondContact OH-NE2 3.45Å; Y624-L685 HydrophobicContact CD2-CD2 4.27Å; Y624-L685 HydrophobicContact CE2-CD2 4.24Å; Y624-L685 WeakPolarHBondContact CE2-O 3.29Å
625R94.4Very high94.3Very high136 Ų13660.9 Ų60.951%0.51329%0.292SS..Hα-helixtrans-68.5-47.5-176.3178.4-175.8-79.1-1088.9111.1Y623 T627 Q628 E629Y623-R625 VanDerWaalsContact C-N 3.33Å; Y623-R625 PolarHBondContact O-N 3.41Å; R625-T627 VanDerWaalsContact C-N 3.27Å; R625-T627 PolarHBondContact O-N 2.83Å; R625-Q628 PolarHBondContact O-N 3.48Å; R625-E629 VanDerWaalsContact CD-OE1 3.29Å; R625-E629 WeakPolarHBondContact CD-OE1 3.16Å; R625-E629 HydrophobicContact CG-CG 4.08Å; R625-E629 WeakPolarHBondContact CG-OE1 3.23Å; R625-E629 IonicContact CZ-OE1 2.67Å; R625-E629 IonicContact NE-OE1 3.37Å; R625-E629 IonicContact NH1-OE1 3.8Å; R625-E629 PolarHBondContact NH1-OE1 3.1Å; R625-E629 WeakPolarHBondContact O-CB 3.3Å; R625-E629 WeakPolarHBondContact O-CG 3.22Å; R625-E629 PolarHBondContact O-N 3.16Å
626E95.3Very high94.6Very high95 Ų9555.9 Ų55.944%0.44426%0.259SS..Hα-helixtrans-56-45178.6-171.2-177178.500110.5Y623 L630 I656Y623-E626 WeakPolarHBondContact CD1-OE2 3.36Å; Y623-E626 PolarHBondContact O-N 2.72Å; E626-L630 WeakPolarHBondContact O-CB 3.4Å; E626-L630 PolarHBondContact O-N 3.07Å; E626-I656 HydrophobicContact CB-CD1 4.48Å; E626-I656 HydrophobicContact CG-CD1 3.85Å
627T95.8Very high94.7Very high0 Ų050.6 Ų50.60%024%0.239CC..Hα-helixtrans-68-45.3179.2-47.80000112.5Y623 R625 L631 L653 I656 L680 I684 L685Y623-T627 WeakPolarHBondContact O-CB 3.39Å; Y623-T627 PolarHBondContact O-N 2.83Å; Y623-T627 PolarHBondContact O-OG1 2.7Å; R625-T627 VanDerWaalsContact C-N 3.27Å; R625-T627 PolarHBondContact O-N 2.83Å; T627-L631 WeakPolarHBondContact O-CB 3.31Å; T627-L631 PolarHBondContact O-N 2.79Å; T627-L653 HydrophobicContact CG2-CD1 3.75Å; T627-I656 WeakPolarHBondContact OG1-CG2 3.43Å; T627-L680 HydrophobicContact CG2-CD1 3.8Å; T627-I684 HydrophobicContact CG2-CG2 3.87Å; T627-I684 WeakPolarHBondContact OG1-CG2 3.39Å; T627-L685 HydrophobicContact CG2-CD2 4.2Å
628Q96.8Very high94.8Very high14 Ų1448.4 Ų48.47%0.06522%0.224CC..Hα-helixtrans-66.9-43.4179.9-174.3-175.25900112V611 L612 R614 Y624 R625 R632 L685V611-Q628 PolarHBondContact O-NE2 3.43Å; L612-Q628 WeakPolarHBondContact O-CG 3.37Å; L612-Q628 PolarHBondContact O-NE2 3.01Å; R614-Q628 PolarHBondContact O-NE2 2.91Å; R614-Q628 PolarHBondContact O-OE1 3.07Å; Y624-Q628 WeakPolarHBondContact O-CB 3.42Å; Y624-Q628 PolarHBondContact O-N 2.61Å; Y624-Q628 PolarHBondContact OH-NE2 3.45Å; R625-Q628 PolarHBondContact O-N 3.48Å; Q628-R632 VanDerWaalsContact O-CB 3.27Å; Q628-R632 WeakPolarHBondContact O-CB 3.22Å; Q628-R632 PolarHBondContact O-N 2.88Å; Q628-L685 HydrophobicContact CB-CD2 4.13Å
629E95.7Very high95Very high72 Ų7238 Ų3834%0.33618%0.179SC..Hα-helixtrans-66.3-45.5177.8-70.6172.7-179.600110R625 T633R625-E629 VanDerWaalsContact CD-OE1 3.29Å; R625-E629 WeakPolarHBondContact CD-OE1 3.16Å; R625-E629 HydrophobicContact CG-CG 4.08Å; R625-E629 WeakPolarHBondContact CG-OE1 3.23Å; R625-E629 IonicContact CZ-OE1 2.67Å; R625-E629 IonicContact NE-OE1 3.37Å; R625-E629 IonicContact NH1-OE1 3.8Å; R625-E629 PolarHBondContact NH1-OE1 3.1Å; R625-E629 WeakPolarHBondContact O-CB 3.3Å; R625-E629 WeakPolarHBondContact O-CG 3.22Å; R625-E629 PolarHBondContact O-N 3.16Å; E629-T633 PolarHBondContact O-N 3.41Å; E629-T633 PolarHBondContact O-OG1 2.64Å
630L96.5Very high95.1Very high10 Ų1033.6 Ų33.65%0.05215%0.151CC..Iπ-helixtrans-56-54172.817769.7000112.4E626 R632 E634 I635 K652 L653 I656E626-L630 WeakPolarHBondContact O-CB 3.4Å; E626-L630 PolarHBondContact O-N 3.07Å; L630-R632 PolarHBondContact O-N 3.4Å; L630-E634 HydrophobicContact CD1-CB 3.94Å; L630-E634 HydrophobicContact CD1-CG 4.11Å; L630-E634 WeakPolarHBondContact CD1-OE1 3.42Å; L630-E634 WeakPolarHBondContact O-CA 3.48Å; L630-E634 WeakPolarHBondContact O-CB 3.15Å; L630-E634 PolarHBondContact O-N 3.35Å; L630-I635 HydrophobicContact CG-CD1 4.48Å; L630-I635 PolarHBondContact O-N 3.35Å; L630-K652 HydrophobicContact CD1-CB 3.86Å; L630-K652 HydrophobicContact CD1-CD 3.56Å; L630-K652 HydrophobicContact CD1-CG 4.39Å; L630-K652 HydrophobicContact CD2-CB 3.77Å; L630-L653 HydrophobicContact CD2-CB 3.8Å; L630-L653 HydrophobicContact CD2-CD1 4.32Å; L630-I656 HydrophobicContact CD2-CD1 3.83Å
631L97.3Very high95.1Very high0 Ų035.7 Ų35.70%016%0.162CC..Iπ-helixtrans-64.8-42.1-175.6-17662000111.3L598 F602 L612 T627 I635 V636 L653 L680 L685L598-L631 HydrophobicContact CD1-CD1 3.9Å; L598-L631 HydrophobicContact CD2-CD1 3.85Å; F602-L631 HydrophobicContact CE2-CD2 4.41Å; F602-L631 HydrophobicContact CZ-CD2 4.42Å; L612-L631 HydrophobicContact CD2-CB 4.33Å; L612-L631 HydrophobicContact CD2-CD2 3.66Å; L612-L631 HydrophobicContact CD2-CG 3.72Å; T627-L631 WeakPolarHBondContact O-CB 3.31Å; T627-L631 PolarHBondContact O-N 2.79Å; L631-I635 HydrophobicContact CD1-CB 4.38Å; L631-I635 HydrophobicContact CD1-CD1 4.26Å; L631-I635 HydrophobicContact CD1-CG2 4.39Å; L631-V636 HydrophobicContact CD1-CG2 4.24Å; L631-V636 HydrophobicContact CG-CG2 4.36Å; L631-V636 WeakPolarHBondContact O-CB 3.12Å; L631-V636 WeakPolarHBondContact O-CG2 3.14Å; L631-V636 PolarHBondContact O-N 2.9Å; L631-L653 HydrophobicContact CD1-CD2 4.47Å; L631-L680 HydrophobicContact CD2-CD2 4.33Å; L631-L685 HydrophobicContact CD2-CD1 4.2Å
632R96.9Very high95.1Very high49 Ų4936.1 Ų36.119%0.18516%0.16CC..Iπ-helixtrans-70-57.3176.6-170.8175.870.5-122.2-1.7111.7L612 Q628 L630 N637L612-R632 HydrophobicContact CB-CB 4.26Å; L612-R632 HydrophobicContact CB-CG 4.23Å; L612-R632 WeakPolarHBondContact O-CD 3.24Å; L612-R632 PolarHBondContact O-NH1 2.69Å; Q628-R632 VanDerWaalsContact O-CB 3.27Å; Q628-R632 WeakPolarHBondContact O-CB 3.22Å; Q628-R632 PolarHBondContact O-N 2.88Å; L630-R632 PolarHBondContact O-N 3.4Å; R632-N637 VanDerWaalsContact O-CB 3.29Å; R632-N637 WeakPolarHBondContact O-CB 3.41Å; R632-N637 PolarHBondContact O-N 3.2Å; R632-N637 PolarHBondContact O-ND2 3.12Å
633T96.3Very high95.2Very high9 Ų928.9 Ų28.96%0.05513%0.127CC..Iπ-helixtrans-95.1-20.4-163.269.70000115.2V561 V562 E629 P638V561-T633 CarbonylContact C-O 3.51Å; V561-T633 WeakPolarHBondContact CA-O 3.4Å; V562-T633 PolarHBondContact N-O 3.46Å; V562-T633 VanDerWaalsContact O-CA 3.27Å; V562-T633 WeakPolarHBondContact O-CA 3.44Å; V562-T633 WeakPolarHBondContact O-CB 3.45Å; E629-T633 PolarHBondContact O-N 3.41Å; E629-T633 PolarHBondContact O-OG1 2.64Å; T633-P638 WeakPolarHBondContact O-CD 3.38Å; T633-P638 WeakPolarHBondContact O-CG 3.26Å
634E95.7Very high95.4Very high29 Ų2926.7 Ų26.714%0.13612%0.118CC..Iπ-helixtrans-106.1-13.3175.9-55.3-158.7-11300114.2V561 L630 K649 K652V561-E634 HydrophobicContact CG1-CG 4.06Å; V561-E634 HydrophobicContact CG2-CG 3.94Å; L630-E634 HydrophobicContact CD1-CB 3.94Å; L630-E634 HydrophobicContact CD1-CG 4.11Å; L630-E634 WeakPolarHBondContact CD1-OE1 3.42Å; L630-E634 WeakPolarHBondContact O-CA 3.48Å; L630-E634 WeakPolarHBondContact O-CB 3.15Å; L630-E634 PolarHBondContact O-N 3.35Å; E634-K649 HydrophobicContact CB-CB 4.49Å; E634-K649 HydrophobicContact CB-CD 3.98Å; E634-K649 HydrophobicContact CB-CG 4.4Å; E634-K649 WeakPolarHBondContact O-CG 3.39Å; E634-K649 WeakPolarHBondContact OE2-CD 3.48Å; E634-K649 WeakPolarHBondContact OE2-CE 3.41Å; E634-K649 IonicContact OE2-NZ 2.91Å; E634-K649 PolarHBondContact OE2-NZ 2.93Å; E634-K652 IonicContact OE1-NZ 2.84Å; E634-K652 PolarHBondContact OE1-NZ 3.08Å; E634-K652 IonicContact OE2-NZ 2.65Å; E634-K652 PolarHBondContact OE2-NZ 3.16Å
635I96.9Very high95.4Very high0 Ų026.6 Ų26.60%012%0.118CC..Iπ-helixtrans-120-69.7-178.6-56.4177.1000111.4I585 L598 L630 L631 P638 L639 V645 K649 L653I585-I635 HydrophobicContact CD1-CG2 4.33Å; L598-I635 HydrophobicContact CD1-CD1 4.41Å; L598-I635 HydrophobicContact CD1-CG2 4.13Å; L630-I635 HydrophobicContact CG-CD1 4.48Å; L630-I635 PolarHBondContact O-N 3.35Å; L631-I635 HydrophobicContact CD1-CB 4.38Å; L631-I635 HydrophobicContact CD1-CD1 4.26Å; L631-I635 HydrophobicContact CD1-CG2 4.39Å; I635-P638 WeakPolarHBondContact O-CD 3.18Å; I635-L639 VanDerWaalsContact O-CB 3.23Å; I635-L639 WeakPolarHBondContact O-CB 3.13Å; I635-L639 PolarHBondContact O-N 2.88Å; I635-V645 HydrophobicContact CB-CG1 4.46Å; I635-V645 HydrophobicContact CG1-CG1 4.29Å; I635-V645 HydrophobicContact CG2-CG1 4.32Å; I635-V645 HydrophobicContact CG2-CG2 4.4Å; I635-V645 WeakPolarHBondContact O-CG2 3.39Å; I635-K649 HydrophobicContact CD1-CB 4.5Å; I635-K649 HydrophobicContact CG1-CB 3.92Å; I635-L653 HydrophobicContact CD1-CB 4.43Å; I635-L653 HydrophobicContact CD1-CD2 4.16Å
636V97.3Very high95.2Very high1 Ų120.2 Ų20.21%0.0069%0.094CC..Iπ-helixtrans-69.6-48.1-169.7174.10000113F602 L612 L631 L639 R640F602-V636 HydrophobicContact CB-CB 4.4Å; F602-V636 HydrophobicContact CB-CG1 3.91Å; F602-V636 HydrophobicContact CB-CG2 3.62Å; F602-V636 HydrophobicContact CD1-CG1 4.44Å; F602-V636 HydrophobicContact CD1-CG2 4.08Å; F602-V636 HydrophobicContact CD2-CG2 3.99Å; F602-V636 HydrophobicContact CG-CG1 4.42Å; F602-V636 HydrophobicContact CG-CG2 3.63Å; L612-V636 HydrophobicContact CD1-CB 4.01Å; L612-V636 HydrophobicContact CD1-CG1 3.76Å; L612-V636 HydrophobicContact CD1-CG2 4.03Å; L631-V636 HydrophobicContact CD1-CG2 4.24Å; L631-V636 HydrophobicContact CG-CG2 4.36Å; L631-V636 WeakPolarHBondContact O-CB 3.12Å; L631-V636 WeakPolarHBondContact O-CG2 3.14Å; L631-V636 PolarHBondContact O-N 2.9Å; V636-L639 WeakPolarHBondContact O-CB 3.49Å; V636-L639 PolarHBondContact O-N 2.83Å; V636-R640 WeakPolarHBondContact O-CG 3.5Å; V636-R640 PolarHBondContact O-N 3.18Å
637N95.6Very high94.9Very high4 Ų415.9 Ų15.92%0.0217%0.074CC..Hα-helixtrans-63-47.4177.8-68.5-23.7000111.6V562 E564 T566 R632 L639 R640 I641V562-N637 HydrophobicContact CB-CB 3.67Å; V562-N637 HydrophobicContact CG1-CB 3.68Å; V562-N637 WeakPolarHBondContact O-CB 3.36Å; V562-N637 PolarHBondContact O-ND2 2.9Å; E564-N637 PolarHBondContact O-ND2 3.24Å; E564-N637 PolarHBondContact O-OD1 3.21Å; T566-N637 WeakPolarHBondContact CB-OD1 3.11Å; T566-N637 PolarHBondContact N-OD1 2.9Å; T566-N637 VanDerWaalsContact N-OD1 3.09Å; T566-N637 PolarHBondContact OG1-OD1 2.91Å; R632-N637 VanDerWaalsContact O-CB 3.29Å; R632-N637 WeakPolarHBondContact O-CB 3.41Å; R632-N637 PolarHBondContact O-N 3.2Å; R632-N637 PolarHBondContact O-ND2 3.12Å; N637-L639 VanDerWaalsContact C-N 3.34Å; N637-L639 PolarHBondContact O-N 2.82Å; N637-R640 PolarHBondContact O-N 3.11Å; N637-I641 PolarHBondContact O-N 3.32Å
638P94.9Very high94.5Very high0 Ų016.7 Ų16.70%08%0.079CC..Hα-helixtrans-62.7-35.6175.2-25.536.2000114.2E560 V562 T633 I635 H642E560-P638 VanDerWaalsContact O-CG 3.28Å; E560-P638 WeakPolarHBondContact O-CG 3.28Å; V562-P638 HydrophobicContact CB-CG 4.26Å; V562-P638 HydrophobicContact CG2-CG 4.1Å; T633-P638 WeakPolarHBondContact O-CD 3.38Å; T633-P638 WeakPolarHBondContact O-CG 3.26Å; I635-P638 WeakPolarHBondContact O-CD 3.18Å; P638-H642 PolarHBondContact O-CD2 2.88Å; P638-H642 PolarHBondContact O-N 3Å
639L95.9Very high94.2Very high1 Ų116.9 Ų16.91%0.0058%0.08CC..Hα-helixtrans-58.8-48.9172.6-178.162.5000110.8M578 I585 F599 I635 V636 N637 G643 V645M578-L639 HydrophobicContact CE-CG 4.49Å; I585-L639 HydrophobicContact CD1-CD2 4.31Å; I585-L639 HydrophobicContact CG1-CD1 4.3Å; I585-L639 HydrophobicContact CG1-CD2 4.31Å; F599-L639 HydrophobicContact CD2-CD1 4.16Å; F599-L639 HydrophobicContact CD2-CD2 4.14Å; F599-L639 HydrophobicContact CE2-CD1 4.18Å; I635-L639 VanDerWaalsContact O-CB 3.23Å; I635-L639 WeakPolarHBondContact O-CB 3.13Å; I635-L639 PolarHBondContact O-N 2.88Å; V636-L639 WeakPolarHBondContact O-CB 3.49Å; V636-L639 PolarHBondContact O-N 2.83Å; N637-L639 VanDerWaalsContact C-N 3.34Å; N637-L639 PolarHBondContact O-N 2.82Å; L639-G643 WeakPolarHBondContact O-CA 3.45Å; L639-G643 PolarHBondContact O-N 3.09Å; L639-V645 HydrophobicContact CB-CG2 3.7Å; L639-V645 HydrophobicContact CD1-CG2 4.34Å
640R94.1Very high94.1Very high4 Ų413.7 Ų13.72%0.0157%0.065CC..Hα-helixtrans-71.4-37.7-177.8-70171.9175.8175.61.7113.3T566 R569 F602 S605 D609 V636 N637T566-R640 HydrophobicContact CG2-CB 3.56Å; T566-R640 WeakPolarHBondContact O-CD 3.35Å; T566-R640 PolarHBondContact O-NH1 2.85Å; R569-R640 PolarHBondContact NE-O 3.13Å; F602-R640 PolarHBondContact O-NE 2.89Å; F602-R640 PolarHBondContact O-NH2 2.64Å; F602-R640 VanDerWaalsContact O-NH2 3.08Å; S605-R640 PolarHBondContact O-NH2 3.11Å; D609-R640 IonicContact OD1-CZ 2.73Å; D609-R640 IonicContact OD1-NH1 3.89Å; D609-R640 PolarHBondContact OD1-NH1 2.85Å; D609-R640 IonicContact OD1-NH2 2.68Å; D609-R640 PolarHBondContact OD1-NH2 2.98Å; D609-R640 IonicContact OD2-CZ 3.64Å; D609-R640 IonicContact OD2-NH1 3.63Å; D609-R640 PolarHBondContact OD2-NH1 3.33Å; D609-R640 IonicContact OD2-NH2 3.07Å; D609-R640 PolarHBondContact OD2-NH2 3.3Å; D609-R640 VanDerWaalsContact OD2-NH2 3.13Å; V636-R640 WeakPolarHBondContact O-CG 3.5Å; V636-R640 PolarHBondContact O-N 3.18Å; N637-R640 PolarHBondContact O-N 3.11Å
641I92.4Very high93.8Very high54 Ų5413.9 Ų13.928%0.2777%0.066SC..Hα-helixtrans-73.6-58.3178-63.5-159.2000111.5V562 T566 R569 V577 N637V562-I641 HydrophobicContact CG1-CD1 3.52Å; V562-I641 HydrophobicContact CG1-CG1 4.3Å; V562-I641 HydrophobicContact CG2-CD1 4.26Å; T566-I641 HydrophobicContact CG2-CD1 4.32Å; T566-I641 HydrophobicContact CG2-CG1 3.57Å; R569-I641 PolarHBondContact NH2-O 3.23Å; V577-I641 VanDerWaalsContact CG2-O 3.28Å; V577-I641 WeakPolarHBondContact CG2-O 3.13Å; N637-I641 PolarHBondContact O-N 3.32Å
642H91.7Very high93.6Very high63 Ų6317.8 Ų17.829%0.2928%0.083SC..Hα-helixtrans-102.3-7.9-166.7-42.2-94000113.8E560 V562 K583 P638 Y644E560-H642 IonicContact OE2-CE1 3.66Å; E560-H642 PolarHBondContact OE2-CE1 2.88Å; E560-H642 VanDerWaalsContact OE2-CE1 3.23Å; E560-H642 IonicContact OE2-NE2 2.64Å; V562-H642 WeakPolarHBondContact CG2-NE2 3.34Å; K583-H642 PolarHBondContact NZ-O 2.96Å; P638-H642 PolarHBondContact O-CD2 2.88Å; P638-H642 PolarHBondContact O-N 3Å; H642-Y644 VanDerWaalsContact C-N 3.28Å; H642-Y644 PolarHBondContact O-N 3.41Å
643G93.4Very high93.4Very high0 Ų015.4 Ų15.40%07%0.074CC..SBendtrans70.216.8-176.300000114.9V577 K583 G584 L639V577-G643 VanDerWaalsContact O-CA 3.3Å; V577-G643 WeakPolarHBondContact O-CA 3.41Å; K583-G643 CarbonylContact C-O 3.57Å; K583-G643 VanDerWaalsContact CA-O 3.23Å; K583-G643 WeakPolarHBondContact CA-O 3.43Å; K583-G643 VanDerWaalsContact CD-O 3.29Å; K583-G643 WeakPolarHBondContact CD-O 3.42Å; G584-G643 PolarHBondContact N-O 3.3Å; L639-G643 WeakPolarHBondContact O-CA 3.45Å; L639-G643 PolarHBondContact O-N 3.09Å
644Y94.9Very high93.3Very high18 Ų1815 Ų157%0.0717%0.071CC..EExtended strand (participates in β ladder)trans-150.6137-175.4176.8-98.5000113Y557 K582 G584 Q586 H642 C646 P895Y557-Y644 WeakPolarHBondContact O-CE1 3.38Å; Y557-Y644 PolarHBondContact O-OH 2.78Å; K582-Y644 HydrophobicContact CG-CD2 3.99Å; K582-Y644 HydrophobicContact CG-CE2 3.86Å; K582-Y644 WeakPolarHBondContact O-CD2 3.47Å; G584-Y644 WeakPolarHBondContact O-CA 3.08Å; Q586-Y644 HydrophobicContact CB-CE2 4.1Å; Q586-Y644 PolarHBondContact OE1-OH 2.85Å; H642-Y644 VanDerWaalsContact C-N 3.28Å; H642-Y644 PolarHBondContact O-N 3.41Å; Y644-C646 HydrophobicContact CE1-CB 3.93Å; Y644-P895 HydrophobicContact CD2-CG 4.17Å; Y644-P895 HydrophobicContact CE2-CG 3.9Å
645V95.4Very high93Very high0 Ų017.7 Ų17.70%08%0.08CC..EExtended strand (participates in β ladder)trans-130131.4172.8-1770000109.1G584 I585 Q586 I635 L639 K649G584-V645 PolarHBondContact O-N 3.36Å; G584-V645 VanDerWaalsContact O-N 3.1Å; I585-V645 HydrophobicContact CG1-CB 4.23Å; I585-V645 HydrophobicContact CG1-CG2 4.31Å; Q586-V645 VanDerWaalsContact CB-O 3.32Å; Q586-V645 WeakPolarHBondContact CB-O 3.38Å; Q586-V645 PolarHBondContact N-O 3.09Å; I635-V645 HydrophobicContact CB-CG1 4.46Å; I635-V645 HydrophobicContact CG1-CG1 4.29Å; I635-V645 HydrophobicContact CG2-CG1 4.32Å; I635-V645 HydrophobicContact CG2-CG2 4.4Å; I635-V645 WeakPolarHBondContact O-CG2 3.39Å; L639-V645 HydrophobicContact CB-CG2 3.7Å; L639-V645 HydrophobicContact CD1-CG2 4.34Å; V645-K649 HydrophobicContact CG1-CB 3.87Å; V645-K649 HydrophobicContact CG1-CG 3.89Å
646C90.3Very high92.7Very high2 Ų217.8 Ų17.81%0.0148%0.081CC..  trans-84.6152.5179.772.40000113.3Y557 S559 Y644 T648 K649Y557-C646 WeakPolarHBondContact O-CB 3.45Å; S559-C646 PolarHBondContact N-SG 3.19Å; S559-C646 VanDerWaalsContact N-SG 3.39Å; S559-C646 PolarHBondContact OG-N 2.98Å; S559-C646 PolarHBondContact OG-SG 3.3Å; Y644-C646 HydrophobicContact CE1-CB 3.93Å; C646-T648 PolarHBondContact O-N 2.6Å; C646-T648 PolarHBondContact SG-OG1 2.74Å; C646-K649 WeakPolarHBondContact O-CG 3.48Å; C646-K649 PolarHBondContact O-N 2.84Å
647A90Very high92.4Very high4 Ų417.8 Ų17.83%0.0338%0.081CC..Hα-helixtrans-60.6-22.4-172.900000113.9Q586 H588 K649 V650 M651Q586-A647 HydrophobicContact CB-CB 4.34Å; Q586-A647 HydrophobicContact CG-CB 4.04Å; Q586-A647 WeakPolarHBondContact O-CA 3.4Å; Q586-A647 WeakPolarHBondContact O-CB 3.3Å; H588-A647 HydrophobicContact CB-CB 3.62Å; A647-K649 PolarHBondContact O-N 2.84Å; A647-V650 PolarHBondContact O-N 3.19Å; A647-M651 VanDerWaalsContact O-CB 3.3Å; A647-M651 WeakPolarHBondContact O-CB 3.39Å; A647-M651 PolarHBondContact O-N 2.77Å
648T85.6Confident92Very high16 Ų1619.9 Ų19.910%0.0989%0.091CC..Hα-helixtrans-62.4-32176.665.60000112.2C549 C646 M651 K652C549-T648 HydrophobicContact CB-CG2 3.68Å; C549-T648 WeakPolarHBondContact O-CG2 3.36Å; C646-T648 PolarHBondContact O-N 2.6Å; C646-T648 PolarHBondContact SG-OG1 2.74Å; T648-M651 PolarHBondContact O-N 2.87Å; T648-K652 WeakPolarHBondContact O-CG 3.31Å; T648-K652 PolarHBondContact O-N 3.09Å
649K91.9Very high91.6Very high19 Ų1925.1 Ų25.18%0.08311%0.113CC..Hα-helixtrans-71.6-45.9178.8-44.1-56.8-152.9172.90110.9S559 E634 I635 V645 C646 A647 M651 K652 L653S559-K649 WeakPolarHBondContact O-CE 3.37Å; S559-K649 PolarHBondContact O-NZ 2.88Å; S559-K649 VanDerWaalsContact O-NZ 3.13Å; S559-K649 WeakPolarHBondContact OG-CE 3.48Å; E634-K649 HydrophobicContact CB-CB 4.49Å; E634-K649 HydrophobicContact CB-CD 3.98Å; E634-K649 HydrophobicContact CB-CG 4.4Å; E634-K649 WeakPolarHBondContact O-CG 3.39Å; E634-K649 WeakPolarHBondContact OE2-CD 3.48Å; E634-K649 WeakPolarHBondContact OE2-CE 3.41Å; E634-K649 IonicContact OE2-NZ 2.91Å; E634-K649 PolarHBondContact OE2-NZ 2.93Å; I635-K649 HydrophobicContact CD1-CB 4.5Å; I635-K649 HydrophobicContact CG1-CB 3.92Å; V645-K649 HydrophobicContact CG1-CB 3.87Å; V645-K649 HydrophobicContact CG1-CG 3.89Å; C646-K649 WeakPolarHBondContact O-CG 3.48Å; C646-K649 PolarHBondContact O-N 2.84Å; A647-K649 PolarHBondContact O-N 2.84Å; K649-M651 VanDerWaalsContact C-N 3.32Å; K649-M651 PolarHBondContact O-N 3.44Å; K649-K652 WeakPolarHBondContact O-CB 3.43Å; K649-K652 PolarHBondContact O-N 3.32Å; K649-K652 VanDerWaalsContact O-N 3.17Å; K649-L653 PolarHBondContact O-N 2.92Å
650V93.4Very high90.9Very high4 Ų427 Ų272%0.02413%0.125CC..Hα-helixtrans-58.6-45.3171.2170.40000110.5I585 L594 A647 K652 L653 R654I585-V650 HydrophobicContact CG2-CG2 3.47Å; I585-V650 VanDerWaalsContact CG2-CG2 3.47Å; L594-V650 HydrophobicContact CD1-CG1 4.28Å; L594-V650 HydrophobicContact CD2-CB 4.48Å; L594-V650 HydrophobicContact CD2-CG1 3.71Å; L594-V650 HydrophobicContact CD2-CG2 4.17Å; A647-V650 PolarHBondContact O-N 3.19Å; V650-K652 VanDerWaalsContact C-N 3.25Å; V650-K652 PolarHBondContact O-N 3.37Å; V650-L653 WeakPolarHBondContact O-CA 3.49Å; V650-L653 WeakPolarHBondContact O-CB 3.48Å; V650-L653 PolarHBondContact O-N 3.46Å; V650-R654 HydrophobicContact CG1-CG 4.18Å; V650-R654 WeakPolarHBondContact O-CG 3.38Å; V650-R654 PolarHBondContact O-N 2.83Å
651M90.3Very high89.6Confident14 Ų1430.7 Ų30.77%0.06914%0.142CC..Hα-helixtrans-70.2-16.5179.2-169.352.47500113.5I546 A647 T648 K649 R654 R655 T667I546-M651 HydrophobicContact CG1-CG 4.24Å; A647-M651 VanDerWaalsContact O-CB 3.3Å; A647-M651 WeakPolarHBondContact O-CB 3.39Å; A647-M651 PolarHBondContact O-N 2.77Å; T648-M651 PolarHBondContact O-N 2.87Å; K649-M651 VanDerWaalsContact C-N 3.32Å; K649-M651 PolarHBondContact O-N 3.44Å; M651-R654 HydrophobicContact SD-CB 4.27Å; M651-R655 PolarHBondContact O-NE 2.95Å; M651-R655 PolarHBondContact O-NH2 3.36Å; M651-T667 WeakPolarHBondContact CE-O 3.44Å; M651-T667 HydrophobicContact SD-CG2 4.03Å
652K92.1Very high87.9Confident82 Ų8232.8 Ų32.836%0.35717%0.167SC..Hα-helixtrans-70.5-48.3162.7-73.2174.7175-1790110.2L630 E634 T648 K649 V650 R655 I656L630-K652 HydrophobicContact CD1-CB 3.86Å; L630-K652 HydrophobicContact CD1-CD 3.56Å; L630-K652 HydrophobicContact CD1-CG 4.39Å; L630-K652 HydrophobicContact CD2-CB 3.77Å; E634-K652 IonicContact OE1-NZ 2.84Å; E634-K652 PolarHBondContact OE1-NZ 3.08Å; E634-K652 IonicContact OE2-NZ 2.65Å; E634-K652 PolarHBondContact OE2-NZ 3.16Å; T648-K652 WeakPolarHBondContact O-CG 3.31Å; T648-K652 PolarHBondContact O-N 3.09Å; K649-K652 WeakPolarHBondContact O-CB 3.43Å; K649-K652 PolarHBondContact O-N 3.32Å; K649-K652 VanDerWaalsContact O-N 3.17Å; V650-K652 VanDerWaalsContact C-N 3.25Å; V650-K652 PolarHBondContact O-N 3.37Å; K652-R655 WeakPolarHBondContact O-CB 3.2Å; K652-R655 PolarHBondContact O-N 2.61Å; K652-I656 PolarHBondContact O-N 3.14Å
653L94.3Very high86.1Confident0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-62.3-45.6-178.1-179.159.6000111.6L594 L598 T627 L630 L631 I635 K649 V650 R655 I656 L657 F676 L680L594-L653 HydrophobicContact CD1-CD2 4.24Å; L594-L653 HydrophobicContact CD1-CG 4.49Å; L594-L653 HydrophobicContact CD2-CD2 4.41Å; L598-L653 HydrophobicContact CD1-CD2 3.94Å; T627-L653 HydrophobicContact CG2-CD1 3.75Å; L630-L653 HydrophobicContact CD2-CB 3.8Å; L630-L653 HydrophobicContact CD2-CD1 4.32Å; L631-L653 HydrophobicContact CD1-CD2 4.47Å; I635-L653 HydrophobicContact CD1-CB 4.43Å; I635-L653 HydrophobicContact CD1-CD2 4.16Å; K649-L653 PolarHBondContact O-N 2.92Å; V650-L653 WeakPolarHBondContact O-CA 3.49Å; V650-L653 WeakPolarHBondContact O-CB 3.48Å; V650-L653 PolarHBondContact O-N 3.46Å; L653-R655 VanDerWaalsContact C-N 3.26Å; L653-R655 PolarHBondContact O-N 3.34Å; L653-I656 WeakPolarHBondContact O-CA 3.41Å; L653-I656 PolarHBondContact O-N 3.17Å; L653-L657 PolarHBondContact O-N 2.98Å; L653-F676 HydrophobicContact CD2-CE2 4.5Å; L653-L680 HydrophobicContact CD1-CD1 4.42Å
654R92.3Very high84.6Confident0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-54.4-40.1174.4-68.9-171.984.8-1773112.6H588 Y589 Y593 L594 V650 M651 I656 L657 E658 F666 T667 E669H588-R654 PolarHBondContact O-NH1 3.16Å; Y589-R654 PolarHBondContact O-NH1 2.95Å; Y593-R654 PolarHBondContact OH-NE 2.88Å; Y593-R654 PolarHBondContact OH-NH2 2.83Å; L594-R654 HydrophobicContact CD1-CG 3.69Å; V650-R654 HydrophobicContact CG1-CG 4.18Å; V650-R654 WeakPolarHBondContact O-CG 3.38Å; V650-R654 PolarHBondContact O-N 2.83Å; M651-R654 HydrophobicContact SD-CB 4.27Å; R654-I656 VanDerWaalsContact C-N 3.3Å; R654-I656 PolarHBondContact O-N 2.93Å; R654-L657 PolarHBondContact O-N 3.37Å; R654-E658 PolarHBondContact O-N 2.95Å; R654-F666 WeakPolarHBondContact CB-O 3.24Å; R654-F666 VanDerWaalsContact CZ-O 3.31Å; R654-F666 PolarHBondContact NE-O 2.88Å; R654-F666 PolarHBondContact NH2-O 3.36Å; R654-T667 HydrophobicContact CB-CG2 3.94Å; R654-E669 PolarHBondContact NH2-O 2.92Å
655R89.5Confident83.9Confident85 Ų8534.7 Ų34.732%0.32119%0.193SC..Hα-helixtrans-71-15.7173.5-86.5177.8-77.6168.4-6.4115.1M651 K652 L653 K659 T667M651-R655 PolarHBondContact O-NE 2.95Å; M651-R655 PolarHBondContact O-NH2 3.36Å; K652-R655 WeakPolarHBondContact O-CB 3.2Å; K652-R655 PolarHBondContact O-N 2.61Å; L653-R655 VanDerWaalsContact C-N 3.26Å; L653-R655 PolarHBondContact O-N 3.34Å; R655-K659 WeakPolarHBondContact O-CD 3.39Å; R655-K659 VanDerWaalsContact O-CG 3.23Å; R655-K659 WeakPolarHBondContact O-CG 3.16Å; R655-T667 HydrophobicContact CB-CG2 4.48Å; R655-T667 HydrophobicContact CG-CG2 3.7Å
656I90.9Very high83.4Confident3 Ų334.7 Ų34.72%0.01519%0.193CC..Hα-helixtrans-86.9-40.1171.1-57.6169.2000110Y623 E626 T627 L630 K652 L653 R654 K659 V660 I684Y623-I656 HydrophobicContact CD1-CG2 4.45Å; Y623-I656 HydrophobicContact CG-CG2 4.11Å; E626-I656 HydrophobicContact CB-CD1 4.48Å; E626-I656 HydrophobicContact CG-CD1 3.85Å; T627-I656 WeakPolarHBondContact OG1-CG2 3.43Å; L630-I656 HydrophobicContact CD2-CD1 3.83Å; K652-I656 PolarHBondContact O-N 3.14Å; L653-I656 WeakPolarHBondContact O-CA 3.41Å; L653-I656 PolarHBondContact O-N 3.17Å; R654-I656 VanDerWaalsContact C-N 3.3Å; R654-I656 PolarHBondContact O-N 2.93Å; I656-K659 PolarHBondContact O-N 3.02Å; I656-V660 HydrophobicContact CG2-CG2 4.35Å; I656-V660 VanDerWaalsContact O-CG2 3.25Å; I656-V660 WeakPolarHBondContact O-CG2 3.11Å; I656-V660 PolarHBondContact O-N 2.89Å; I656-I684 HydrophobicContact CG2-CD1 4.33Å
657L90.6Very high83.1Confident0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-55.7-52.2173.4-61.7169.8000110.9L594 L653 R654 K659 V660 E661 F666 F676 I679 I684L594-L657 HydrophobicContact CD1-CD1 4.09Å; L653-L657 PolarHBondContact O-N 2.98Å; R654-L657 PolarHBondContact O-N 3.37Å; L657-K659 VanDerWaalsContact C-N 3.27Å; L657-K659 PolarHBondContact O-N 2.86Å; L657-V660 PolarHBondContact O-N 2.9Å; L657-E661 PolarHBondContact O-N 2.87Å; L657-F666 HydrophobicContact CB-CB 4.28Å; L657-F666 HydrophobicContact CB-CD1 3.7Å; L657-F666 HydrophobicContact CB-CE1 4.32Å; L657-F666 HydrophobicContact CB-CG 3.92Å; L657-F666 HydrophobicContact CD1-CD1 3.71Å; L657-F666 HydrophobicContact CD1-CE1 3.95Å; L657-F666 HydrophobicContact CG-CD1 4.32Å; L657-F676 HydrophobicContact CD1-CD2 3.76Å; L657-F676 HydrophobicContact CD1-CE2 4Å; L657-F676 HydrophobicContact CD2-CD2 4.43Å; L657-I679 HydrophobicContact CD2-CB 4.11Å; L657-I679 HydrophobicContact CD2-CG2 3.6Å; L657-I684 HydrophobicContact CD2-CD1 3.85Å
658E88Confident82.4Confident49 Ų4939.5 Ų39.523%0.22923%0.225CC..Hα-helixtrans-56.9-35.1178.4-165.7113-138.900113.3R654 S664 G665 F666 T667R654-E658 PolarHBondContact O-N 2.95Å; E658-S664 WeakPolarHBondContact OE1-CA 3.42Å; E658-G665 PolarHBondContact OE1-N 3.22Å; E658-F666 HydrophobicContact CB-CB 3.89Å; E658-F666 HydrophobicContact CG-CB 4.43Å; E658-F666 PolarHBondContact OE1-N 3.1Å; E658-F666 WeakPolarHBondContact OE2-CA 3.12Å; E658-F666 PolarHBondContact OE2-N 2.9Å; E658-F666 VanDerWaalsContact OE2-N 3.16Å; E658-T667 VanDerWaalsContact OE2-CB 3.29Å; E658-T667 WeakPolarHBondContact OE2-CB 3.15Å; E658-T667 VanDerWaalsContact OE2-CG2 3.27Å; E658-T667 WeakPolarHBondContact OE2-CG2 3.32Å; E658-T667 PolarHBondContact OE2-N 3.09Å; E658-T667 PolarHBondContact OE2-OG1 2.88Å
659K86.8Confident82.3Confident109 Ų10942.7 Ų42.747%0.47424%0.239SC..Hα-helixtrans-72.4-24.9176.5-75.7172.1-174.2177.80114Y623 R655 I656 L657Y623-K659 HydrophobicContact CE1-CD 3.85Å; Y623-K659 HydrophobicContact CE2-CB 4.24Å; R655-K659 WeakPolarHBondContact O-CD 3.39Å; R655-K659 VanDerWaalsContact O-CG 3.23Å; R655-K659 WeakPolarHBondContact O-CG 3.16Å; I656-K659 PolarHBondContact O-N 3.02Å; L657-K659 VanDerWaalsContact C-N 3.27Å; L657-K659 PolarHBondContact O-N 2.86Å
660V82Confident82Confident42 Ų4244.2 Ų44.226%0.25525%0.246SC..Hα-helixtrans-88.1-39.3-167.6163.20000111.9Y623 I656 L657 I679 H683 I684Y623-V660 HydrophobicContact CD2-CG2 3.62Å; Y623-V660 HydrophobicContact CE2-CG2 4.24Å; Y623-V660 HydrophobicContact CG-CG2 4.36Å; I656-V660 HydrophobicContact CG2-CG2 4.35Å; I656-V660 VanDerWaalsContact O-CG2 3.25Å; I656-V660 WeakPolarHBondContact O-CG2 3.11Å; I656-V660 PolarHBondContact O-N 2.89Å; L657-V660 PolarHBondContact O-N 2.9Å; V660-I679 HydrophobicContact CG1-CG2 4.25Å; V660-H683 HydrophobicContact CG1-CB 4.03Å; V660-I684 HydrophobicContact CB-CD1 4.29Å; V660-I684 HydrophobicContact CB-CG1 4.23Å; V660-I684 HydrophobicContact CG1-CD1 4.34Å; V660-I684 HydrophobicContact CG1-CG1 3.81Å; V660-I684 HydrophobicContact CG2-CD1 3.89Å; V660-I684 HydrophobicContact CG2-CG1 3.84Å
661E66.4Low81.8Confident81 Ų8145.3 Ų45.338%0.37925%0.25SS..Hα-helixtrans-98.4-20.8-174.5-164.6167.8-13500113.5L657 A663 I679L657-E661 PolarHBondContact O-N 2.87Å; E661-A663 HydrophobicContact CB-CB 4.13Å; E661-A663 HydrophobicContact CG-CB 3.84Å; E661-A663 PolarHBondContact O-N 2.94Å; E661-A663 VanDerWaalsContact O-N 3.14Å; E661-A663 WeakPolarHBondContact OE2-CB 3.39Å; E661-I679 WeakPolarHBondContact OE2-CD1 3.42Å
662A56Low81.9Confident97 Ų9747 Ų4780%0.80226%0.259SS*.  trans57.710.6-165.300000114.4
663A53.2Low82Confident33 Ų3343 Ų4327%0.27324%0.242SC..  trans-74133.1164.900000110E661E661-A663 HydrophobicContact CB-CB 4.13Å; E661-A663 HydrophobicContact CG-CB 3.84Å; E661-A663 PolarHBondContact O-N 2.94Å; E661-A663 VanDerWaalsContact O-N 3.14Å; E661-A663 WeakPolarHBondContact OE2-CB 3.39Å
664S62.4Low81.9Confident85 Ų8546.6 Ų46.659%0.59426%0.259SS*.THydrogen-bonded Turntrans-81.2151.6-177530000112.9E658 K671E658-S664 WeakPolarHBondContact OE1-CA 3.42Å; S664-K671 PolarHBondContact O-NZ 3.1Å
665G79.6Confident81.8Confident4 Ų449.4 Ų49.44%0.04127%0.272CS..THydrogen-bonded Turntrans99.40.4167.300000114.5E658 T667 S668 E669E658-G665 PolarHBondContact OE1-N 3.22Å; G665-T667 PolarHBondContact O-N 3.42Å; G665-S668 PolarHBondContact O-N 2.93Å; G665-S668 VanDerWaalsContact O-N 3.07Å; G665-E669 WeakPolarHBondContact O-CB 3.48Å; G665-E669 PolarHBondContact O-N 2.95Å
666F85.3Confident82Confident0 Ų045.4 Ų45.40%026%0.257CS..THydrogen-bonded Turntrans-63.2-13.4-178.3-106-74.4000114.5Y593 R654 L657 E658 K671 E675 I679Y593-F666 HydrophobicContact CE2-CE1 4.16Å; Y593-F666 PolarHBondContact OH-O 3.17Å; R654-F666 WeakPolarHBondContact CB-O 3.24Å; R654-F666 VanDerWaalsContact CZ-O 3.31Å; R654-F666 PolarHBondContact NE-O 2.88Å; R654-F666 PolarHBondContact NH2-O 3.36Å; L657-F666 HydrophobicContact CB-CB 4.28Å; L657-F666 HydrophobicContact CB-CD1 3.7Å; L657-F666 HydrophobicContact CB-CE1 4.32Å; L657-F666 HydrophobicContact CB-CG 3.92Å; L657-F666 HydrophobicContact CD1-CD1 3.71Å; L657-F666 HydrophobicContact CD1-CE1 3.95Å; L657-F666 HydrophobicContact CG-CD1 4.32Å; E658-F666 HydrophobicContact CB-CB 3.89Å; E658-F666 HydrophobicContact CG-CB 4.43Å; E658-F666 PolarHBondContact OE1-N 3.1Å; E658-F666 WeakPolarHBondContact OE2-CA 3.12Å; E658-F666 PolarHBondContact OE2-N 2.9Å; E658-F666 VanDerWaalsContact OE2-N 3.16Å; F666-K671 HydrophobicContact CD1-CG 4.44Å; F666-K671 HydrophobicContact CE1-CB 4.4Å; F666-K671 HydrophobicContact CE1-CG 4.1Å; F666-K671 HydrophobicContact CE2-CG 4.43Å; F666-K671 HydrophobicContact CZ-CB 4.36Å; F666-K671 HydrophobicContact CZ-CG 4.06Å; F666-E675 HydrophobicContact CE2-CG 4.28Å; F666-E675 VanDerWaalsContact CE2-OE1 3.29Å; F666-E675 WeakPolarHBondContact CE2-OE1 3.4Å; F666-E675 HydrophobicContact CZ-CG 3.94Å; F666-I679 HydrophobicContact CD2-CD1 4.25Å; F666-I679 HydrophobicContact CE1-CD1 3.99Å; F666-I679 HydrophobicContact CE2-CD1 3.3Å; F666-I679 HydrophobicContact CZ-CD1 3.16Å
667T83.9Confident82.2Confident43 Ų4345.3 Ų45.326%0.26426%0.257SS..THydrogen-bonded Turntrans-107.4-4.9176.449.10000115.1M651 R654 R655 E658 G665M651-T667 WeakPolarHBondContact CE-O 3.44Å; M651-T667 HydrophobicContact SD-CG2 4.03Å; R654-T667 HydrophobicContact CB-CG2 3.94Å; R655-T667 HydrophobicContact CB-CG2 4.48Å; R655-T667 HydrophobicContact CG-CG2 3.7Å; E658-T667 VanDerWaalsContact OE2-CB 3.29Å; E658-T667 WeakPolarHBondContact OE2-CB 3.15Å; E658-T667 VanDerWaalsContact OE2-CG2 3.27Å; E658-T667 WeakPolarHBondContact OE2-CG2 3.32Å; E658-T667 PolarHBondContact OE2-N 3.09Å; E658-T667 PolarHBondContact OE2-OG1 2.88Å; G665-T667 PolarHBondContact O-N 3.42Å
668S75.4Confident82.3Confident63 Ų6347.7 Ų47.744%0.44127%0.269SS..THydrogen-bonded Turntrans-136.6-33-171.853.60000115.5N590 G665N590-S668 PolarHBondContact ND2-O 2.79Å; G665-S668 PolarHBondContact O-N 2.93Å; G665-S668 VanDerWaalsContact O-N 3.07Å
669E84.3Confident82.6Confident84 Ų8445.4 Ų45.439%0.39326%0.259SS..SBendtrans-91.5164.3-173.4-67.7164.9-158.600112R654 G665 K671R654-E669 PolarHBondContact NH2-O 2.92Å; G665-E669 WeakPolarHBondContact O-CB 3.48Å; G665-E669 PolarHBondContact O-N 2.95Å; E669-K671 HydrophobicContact CB-CD 4.39Å; E669-K671 WeakPolarHBondContact OE2-CE 3.46Å; E669-K671 IonicContact OE2-NZ 3.38Å; E669-K671 PolarHBondContact OE2-NZ 3.22Å
670E84.6Confident82.9Confident51 Ų5140.3 Ų40.324%0.23824%0.237CC..  trans-75.5132.9157.8-175.7-175.2-151.700107.6N590 K752 S861 Y863N590-E670 HydrophobicContact CB-CB 4.22Å; E670-K752 IonicContact OE2-NZ 2.67Å; E670-K752 PolarHBondContact OE2-NZ 3.4Å; E670-S861 VanDerWaalsContact OE1-CA 3.24Å; E670-S861 WeakPolarHBondContact OE1-CA 3.47Å; E670-Y863 HydrophobicContact CG-CE2 4.45Å
671K90.6Very high83.5Confident27 Ų2738.3 Ų38.312%0.11722%0.224CC..  trans-125.5168.1175.9-60.2-60.6-160.2-176.10110Y593 S664 F666 E669Y593-K671 WeakPolarHBondContact CB-O 3.45Å; Y593-K671 HydrophobicContact CD1-CB 4.35Å; Y593-K671 HydrophobicContact CD2-CB 4.03Å; Y593-K671 HydrophobicContact CE1-CB 4.05Å; Y593-K671 HydrophobicContact CE1-CG 4.33Å; Y593-K671 HydrophobicContact CE2-CB 3.7Å; Y593-K671 HydrophobicContact CE2-CG 4.33Å; Y593-K671 HydrophobicContact CG-CB 4.35Å; Y593-K671 VanDerWaalsContact CG-O 3.23Å; S664-K671 PolarHBondContact O-NZ 3.1Å; F666-K671 HydrophobicContact CD1-CG 4.44Å; F666-K671 HydrophobicContact CE1-CB 4.4Å; F666-K671 HydrophobicContact CE1-CG 4.1Å; F666-K671 HydrophobicContact CE2-CG 4.43Å; F666-K671 HydrophobicContact CZ-CB 4.36Å; F666-K671 HydrophobicContact CZ-CG 4.06Å; E669-K671 HydrophobicContact CB-CD 4.39Å; E669-K671 WeakPolarHBondContact OE2-CE 3.46Å; E669-K671 IonicContact OE2-NZ 3.38Å; E669-K671 PolarHBondContact OE2-NZ 3.22Å
672D91.4Very high84.7Confident48 Ų4839.6 Ų39.626%0.25723%0.23SC..  trans-80.4141.3176.3-155.7-75.6000111.9E674 E675 F676 Y934D672-E674 PolarHBondContact O-N 2.73Å; D672-E674 PolarHBondContact OD1-N 3.44Å; D672-E675 HydrophobicContact CB-CB 4.28Å; D672-E675 WeakPolarHBondContact O-CB 3.32Å; D672-E675 PolarHBondContact O-N 3.13Å; D672-E675 VanDerWaalsContact O-N 3.16Å; D672-F676 PolarHBondContact O-N 2.95Å; D672-F676 VanDerWaalsContact O-N 3.08Å; D672-Y934 PolarHBondContact OD1-OH 3.03Å; D672-Y934 PolarHBondContact OD2-OH 3Å
673P94.6Very high86.4Confident0 Ų039.2 Ų39.20%021%0.212CC..Hα-helixtrans-49.6-35.1164.2-31.237.6000114.7L677 L856 Y863 Y934 M935P673-L677 VanDerWaalsContact O-CB 3.32Å; P673-L677 WeakPolarHBondContact O-CB 3.27Å; P673-L677 WeakPolarHBondContact O-CG 3.33Å; P673-L677 PolarHBondContact O-N 2.79Å; P673-L856 HydrophobicContact CG-CD2 3.98Å; P673-Y863 WeakPolarHBondContact CD-OH 3.27Å; P673-Y863 HydrophobicContact CG-CD1 4.15Å; P673-Y863 HydrophobicContact CG-CE1 3.79Å; P673-Y863 HydrophobicContact CG-CE2 4.32Å; P673-Y934 HydrophobicContact CB-CE1 4.18Å; P673-Y934 HydrophobicContact CG-CD1 4.26Å; P673-Y934 HydrophobicContact CG-CE1 3.91Å; P673-M935 HydrophobicContact CB-CE 3.9Å; P673-M935 HydrophobicContact CB-SD 4.03Å
674E91.6Very high88.3Confident75 Ų7537.6 Ų37.635%0.3520%0.199SC..Hα-helixtrans-64.1-45.3175.2134.7156.4-14100112D672 L677 N678 F705 Q746 M935D672-E674 PolarHBondContact O-N 2.73Å; D672-E674 PolarHBondContact OD1-N 3.44Å; E674-L677 PolarHBondContact O-N 2.79Å; E674-N678 WeakPolarHBondContact O-CB 3.45Å; E674-N678 PolarHBondContact O-N 3.08Å; E674-N678 PolarHBondContact O-ND2 3.12Å; E674-N678 VanDerWaalsContact O-ND2 3.17Å; E674-F705 HydrophobicContact CB-CE1 4.04Å; E674-F705 HydrophobicContact CB-CE2 3.95Å; E674-F705 HydrophobicContact CB-CZ 3.54Å; E674-F705 HydrophobicContact CG-CE1 4.34Å; E674-F705 HydrophobicContact CG-CE2 3.97Å; E674-F705 HydrophobicContact CG-CZ 3.48Å; E674-F705 VanDerWaalsContact CG-CZ 3.48Å; E674-F705 WeakPolarHBondContact OE1-CE2 3.21Å; E674-F705 WeakPolarHBondContact OE1-CZ 3.4Å; E674-Q746 PolarHBondContact OE2-NE2 2.86Å; E674-M935 HydrophobicContact CB-CE 4.23Å
675E91.1Very high89.8Confident59 Ų5933.7 Ų33.728%0.27617%0.171SC..Hα-helixtrans-59.8-50.3177.8-167.4-171.6164.200109.9F666 D672 L677 N678 I679F666-E675 HydrophobicContact CE2-CG 4.28Å; F666-E675 VanDerWaalsContact CE2-OE1 3.29Å; F666-E675 WeakPolarHBondContact CE2-OE1 3.4Å; F666-E675 HydrophobicContact CZ-CG 3.94Å; D672-E675 HydrophobicContact CB-CB 4.28Å; D672-E675 WeakPolarHBondContact O-CB 3.32Å; D672-E675 PolarHBondContact O-N 3.13Å; D672-E675 VanDerWaalsContact O-N 3.16Å; E675-L677 PolarHBondContact O-N 2.76Å; E675-N678 PolarHBondContact O-N 2.99Å; E675-I679 HydrophobicContact CG-CD1 4.27Å; E675-I679 WeakPolarHBondContact O-CD1 3.48Å; E675-I679 VanDerWaalsContact O-CG1 3.32Å; E675-I679 WeakPolarHBondContact O-CG1 3.5Å; E675-I679 PolarHBondContact O-N 3.42Å; E675-I679 VanDerWaalsContact O-N 3.08Å
676F94Very high90.5Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-57.1-48.1175.4166-121.1000113.2Y593 L594 T597 L598 L653 L657 D672 I679 L680Y593-F676 HydrophobicContact CD2-CB 4.05Å; Y593-F676 HydrophobicContact CD2-CG 4.5Å; Y593-F676 HydrophobicContact CE2-CB 4.1Å; Y593-F676 HydrophobicContact CE2-CG 4.5Å; L594-F676 HydrophobicContact CD1-CD2 4.33Å; L594-F676 HydrophobicContact CD1-CE2 3.97Å; L594-F676 HydrophobicContact CD1-CZ 4.44Å; L594-F676 HydrophobicContact CG-CD2 4.33Å; L594-F676 HydrophobicContact CG-CE1 4.3Å; L594-F676 HydrophobicContact CG-CE2 3.85Å; L594-F676 HydrophobicContact CG-CZ 3.83Å; T597-F676 HydrophobicContact CG2-CD1 3.96Å; T597-F676 HydrophobicContact CG2-CE1 3.78Å; L598-F676 HydrophobicContact CD2-CE1 4.23Å; L598-F676 HydrophobicContact CD2-CZ 3.82Å; L598-F676 HydrophobicContact CG-CE1 4.34Å; L598-F676 HydrophobicContact CG-CZ 4Å; L653-F676 HydrophobicContact CD2-CE2 4.5Å; L657-F676 HydrophobicContact CD1-CD2 3.76Å; L657-F676 HydrophobicContact CD1-CE2 4Å; L657-F676 HydrophobicContact CD2-CD2 4.43Å; D672-F676 PolarHBondContact O-N 2.95Å; D672-F676 VanDerWaalsContact O-N 3.08Å; F676-I679 PolarHBondContact O-N 3.4Å; F676-L680 HydrophobicContact CE1-CD2 4.49Å; F676-L680 HydrophobicContact CE2-CB 4.26Å; F676-L680 HydrophobicContact CE2-CD2 3.89Å; F676-L680 HydrophobicContact CZ-CD2 3.67Å; F676-L680 VanDerWaalsContact O-CB 3.3Å; F676-L680 WeakPolarHBondContact O-CB 3.19Å; F676-L680 PolarHBondContact O-N 2.65Å
677L94.8Very high90.9Very high1 Ų139 Ų391%0.00519%0.192CC..Hα-helixtrans-66.4-40-179.2-72.4171.1000111.7T597 L601 P673 E674 E675 F681 F705 I744 M935T597-L677 HydrophobicContact CG2-CD1 4.2Å; T597-L677 HydrophobicContact CG2-CD2 3.79Å; T597-L677 HydrophobicContact CG2-CG 4.07Å; L601-L677 HydrophobicContact CD1-CD2 3.74Å; P673-L677 VanDerWaalsContact O-CB 3.32Å; P673-L677 WeakPolarHBondContact O-CB 3.27Å; P673-L677 WeakPolarHBondContact O-CG 3.33Å; P673-L677 PolarHBondContact O-N 2.79Å; E674-L677 PolarHBondContact O-N 2.79Å; E675-L677 PolarHBondContact O-N 2.76Å; L677-F681 HydrophobicContact CD2-CD2 4.24Å; L677-F681 HydrophobicContact CD2-CE2 3.59Å; L677-F681 HydrophobicContact CD2-CZ 3.73Å; L677-F681 VanDerWaalsContact O-CB 3.27Å; L677-F681 WeakPolarHBondContact O-CB 3.49Å; L677-F681 PolarHBondContact O-N 3.49Å; L677-F705 HydrophobicContact CB-CE1 4.39Å; L677-F705 HydrophobicContact CD1-CD1 4.4Å; L677-I744 HydrophobicContact CD1-CD1 4.33Å; L677-M935 HydrophobicContact CD1-CE 4.47Å; L677-M935 HydrophobicContact CD1-SD 4.43Å
678N92.9Very high91.3Very high51 Ų5143.3 Ų43.327%0.27321%0.213SC..Hα-helixtrans-61.6-48175.8-79.3-37.8000111.5E674 E675 H682 H683E674-N678 WeakPolarHBondContact O-CB 3.45Å; E674-N678 PolarHBondContact O-N 3.08Å; E674-N678 PolarHBondContact O-ND2 3.12Å; E674-N678 VanDerWaalsContact O-ND2 3.17Å; E675-N678 PolarHBondContact O-N 2.99Å; N678-H682 WeakPolarHBondContact O-CA 3.36Å; N678-H682 WeakPolarHBondContact O-CB 3.29Å; N678-H682 PolarHBondContact O-N 3.19Å; N678-H683 PolarHBondContact O-N 3.05Å
679I92.7Very high92.2Very high1 Ų141.8 Ų41.81%0.00520%0.202CC..Iπ-helixtrans-64-48.3178.9-58.8155000110.6L657 V660 E661 F666 E675 F676 H683 I684L657-I679 HydrophobicContact CD2-CB 4.11Å; L657-I679 HydrophobicContact CD2-CG2 3.6Å; V660-I679 HydrophobicContact CG1-CG2 4.25Å; E661-I679 WeakPolarHBondContact OE2-CD1 3.42Å; F666-I679 HydrophobicContact CD2-CD1 4.25Å; F666-I679 HydrophobicContact CE1-CD1 3.99Å; F666-I679 HydrophobicContact CE2-CD1 3.3Å; F666-I679 HydrophobicContact CZ-CD1 3.16Å; E675-I679 HydrophobicContact CG-CD1 4.27Å; E675-I679 WeakPolarHBondContact O-CD1 3.48Å; E675-I679 VanDerWaalsContact O-CG1 3.32Å; E675-I679 WeakPolarHBondContact O-CG1 3.5Å; E675-I679 PolarHBondContact O-N 3.42Å; E675-I679 VanDerWaalsContact O-N 3.08Å; F676-I679 PolarHBondContact O-N 3.4Å; I679-H683 WeakPolarHBondContact O-CB 3.4Å; I679-H683 PolarHBondContact O-N 2.84Å; I679-I684 HydrophobicContact CG2-CD1 4.08Å; I679-I684 HydrophobicContact CG2-CG1 4.36Å; I679-I684 WeakPolarHBondContact O-CG1 3.23Å; I679-I684 PolarHBondContact O-N 2.87Å
680L94.6Very high92.7Very high1 Ų138.6 Ų38.61%0.00519%0.187CC..Iπ-helixtrans-64.4-46.8-176.7-175.362.9000112T627 L631 L653 F676 L685T627-L680 HydrophobicContact CG2-CD1 3.8Å; L631-L680 HydrophobicContact CD2-CD2 4.33Å; L653-L680 HydrophobicContact CD1-CD1 4.42Å; F676-L680 HydrophobicContact CE1-CD2 4.49Å; F676-L680 HydrophobicContact CE2-CB 4.26Å; F676-L680 HydrophobicContact CE2-CD2 3.89Å; F676-L680 HydrophobicContact CZ-CD2 3.67Å; F676-L680 VanDerWaalsContact O-CB 3.3Å; F676-L680 WeakPolarHBondContact O-CB 3.19Å; F676-L680 PolarHBondContact O-N 2.65Å; L680-L685 HydrophobicContact CD1-CD1 3.69Å; L680-L685 HydrophobicContact CD1-CG 4.14Å; L680-L685 HydrophobicContact CG-CD1 3.9Å; L680-L685 VanDerWaalsContact O-CB 3.27Å; L680-L685 WeakPolarHBondContact O-CB 3.07Å; L680-L685 WeakPolarHBondContact O-CG 3.21Å; L680-L685 PolarHBondContact O-N 3.29Å
681F95.2Very high93.3Very high0 Ų036.2 Ų36.20%018%0.176CC..Iπ-helixtrans-88.3-42.9-174.4-64.4-13.1000113.5L601 L608 L677 R686 V687 L690 Y704L601-F681 HydrophobicContact CD1-CZ 4.03Å; L608-F681 HydrophobicContact CD1-CE1 4.39Å; L608-F681 HydrophobicContact CD1-CE2 3.88Å; L608-F681 HydrophobicContact CD1-CZ 3.47Å; L608-F681 VanDerWaalsContact CD1-CZ 3.47Å; L677-F681 HydrophobicContact CD2-CD2 4.24Å; L677-F681 HydrophobicContact CD2-CE2 3.59Å; L677-F681 HydrophobicContact CD2-CZ 3.73Å; L677-F681 VanDerWaalsContact O-CB 3.27Å; L677-F681 WeakPolarHBondContact O-CB 3.49Å; L677-F681 PolarHBondContact O-N 3.49Å; F681-R686 CarbonylContact O-C 3.54Å; F681-R686 WeakPolarHBondContact O-CA 3.43Å; F681-R686 PolarHBondContact O-N 2.97Å; F681-V687 HydrophobicContact CB-CB 4.05Å; F681-V687 HydrophobicContact CB-CG2 3.94Å; F681-V687 HydrophobicContact CD1-CG2 3.94Å; F681-V687 HydrophobicContact CG-CB 4.44Å; F681-V687 HydrophobicContact CG-CG2 4.08Å; F681-V687 PolarHBondContact O-N 3.47Å; F681-L690 HydrophobicContact CE2-CD1 4.5Å; F681-Y704 HydrophobicContact CB-CD1 3.94Å; F681-Y704 HydrophobicContact CB-CE1 3.81Å; F681-Y704 HydrophobicContact CB-CE2 4.49Å; F681-Y704 HydrophobicContact CB-CG 4.36Å; F681-Y704 AromaticContact CD2-CD1 3.96Å; F681-Y704 HydrophobicContact CD2-CD1 3.96Å; F681-Y704 HydrophobicContact CD2-CG 4.3Å; F681-Y704 HydrophobicContact CG-CD1 4.44Å
682H91.4Very high93.5Very high108 Ų10837.6 Ų37.650%0.518%0.182SC..Iπ-helixtrans-80.4-54.7-178-161.567000111.9N678 R686 Y704N678-H682 WeakPolarHBondContact O-CA 3.36Å; N678-H682 WeakPolarHBondContact O-CB 3.29Å; N678-H682 PolarHBondContact O-N 3.19Å; H682-R686 WeakPolarHBondContact O-CG 3.4Å; H682-Y704 HydrophobicContact CB-CE2 3.77Å; H682-Y704 AromaticContact ND1-CE2 3.82Å; H682-Y704 PolarHBondContact ND1-OH 3.4Å
683H90.7Very high93.6Very high89 Ų8935.9 Ų35.941%0.41217%0.173SC..Iπ-helixtrans-82.8-41.7-169.4-66.2-96.1000112.8V621 V660 N678 I679V621-H683 WeakPolarHBondContact CG1-O 3.28Å; V660-H683 HydrophobicContact CG1-CB 4.03Å; N678-H683 PolarHBondContact O-N 3.05Å; I679-H683 WeakPolarHBondContact O-CB 3.4Å; I679-H683 PolarHBondContact O-N 2.84Å
684I93.3Very high93.4Very high0 Ų039.6 Ų39.60%019%0.187CC..Iπ-helixtrans-92.5-67.2-175.2-55.7176.1000112.4V621 T627 I656 L657 V660 I679 R686V621-I684 HydrophobicContact CG2-CG2 4.42Å; T627-I684 HydrophobicContact CG2-CG2 3.87Å; T627-I684 WeakPolarHBondContact OG1-CG2 3.39Å; I656-I684 HydrophobicContact CG2-CD1 4.33Å; L657-I684 HydrophobicContact CD2-CD1 3.85Å; V660-I684 HydrophobicContact CB-CD1 4.29Å; V660-I684 HydrophobicContact CB-CG1 4.23Å; V660-I684 HydrophobicContact CG1-CD1 4.34Å; V660-I684 HydrophobicContact CG1-CG1 3.81Å; V660-I684 HydrophobicContact CG2-CD1 3.89Å; V660-I684 HydrophobicContact CG2-CG1 3.84Å; I679-I684 HydrophobicContact CG2-CD1 4.08Å; I679-I684 HydrophobicContact CG2-CG1 4.36Å; I679-I684 WeakPolarHBondContact O-CG1 3.23Å; I679-I684 PolarHBondContact O-N 2.87Å; I684-R686 VanDerWaalsContact C-N 3.3Å; I684-R686 PolarHBondContact O-N 3.39Å
685L94.6Very high93.2Very high2 Ų237 Ų371%0.0118%0.177CC..SBendtrans-83.1-9.4-170.3-60.5176.5000113V611 R614 Y624 T627 Q628 L631 L680 V687V611-L685 HydrophobicContact CG1-CB 4.06Å; V611-L685 HydrophobicContact CG1-CD1 3.7Å; V611-L685 HydrophobicContact CG1-CG 4.44Å; R614-L685 PolarHBondContact NH2-O 2.94Å; Y624-L685 HydrophobicContact CD2-CD2 4.27Å; Y624-L685 HydrophobicContact CE2-CD2 4.24Å; Y624-L685 WeakPolarHBondContact CE2-O 3.29Å; T627-L685 HydrophobicContact CG2-CD2 4.2Å; Q628-L685 HydrophobicContact CB-CD2 4.13Å; L631-L685 HydrophobicContact CD2-CD1 4.2Å; L680-L685 HydrophobicContact CD1-CD1 3.69Å; L680-L685 HydrophobicContact CD1-CG 4.14Å; L680-L685 HydrophobicContact CG-CD1 3.9Å; L680-L685 VanDerWaalsContact O-CB 3.27Å; L680-L685 WeakPolarHBondContact O-CB 3.07Å; L680-L685 WeakPolarHBondContact O-CG 3.21Å; L680-L685 PolarHBondContact O-N 3.29Å; L685-V687 VanDerWaalsContact C-N 3.29Å; L685-V687 HydrophobicContact CB-CG2 3.88Å; L685-V687 PolarHBondContact O-N 2.94Å
686R93.1Very high92.4Very high100 Ų10037.3 Ų37.338%0.37719%0.19SC..  trans43.856.7178.1-62.4-178.764.8-101.7-5.6111.3R614 T619 D620 F681 H682 I684R614-R686 PolarHBondContact NH2-O 2.82Å; T619-R686 WeakPolarHBondContact O-CD 3.43Å; T619-R686 VanDerWaalsContact O-CZ 3.32Å; T619-R686 PolarHBondContact O-NE 2.57Å; T619-R686 PolarHBondContact O-NH1 2.84Å; T619-R686 PolarHBondContact OG1-NH1 2.89Å; T619-R686 VanDerWaalsContact OG1-NH1 3.14Å; D620-R686 IonicContact OD1-CZ 3.62Å; D620-R686 IonicContact OD1-NH1 2.71Å; D620-R686 PolarHBondContact OD1-NH1 2.99Å; F681-R686 CarbonylContact O-C 3.54Å; F681-R686 WeakPolarHBondContact O-CA 3.43Å; F681-R686 PolarHBondContact O-N 2.97Å; H682-R686 WeakPolarHBondContact O-CG 3.4Å; I684-R686 VanDerWaalsContact C-N 3.3Å; I684-R686 PolarHBondContact O-N 3.39Å
687V94.4Very high91.2Very high17 Ų1741.4 Ų41.410%0.10323%0.232CC..PPolyproline II helixtrans-76.1138178.8-174.10000108.2V611 F681 L685 Y704V611-V687 HydrophobicContact CB-CG2 4.34Å; V611-V687 HydrophobicContact CG1-CG2 3.57Å; V611-V687 HydrophobicContact CG2-CB 4.42Å; V611-V687 HydrophobicContact CG2-CG1 3.68Å; V611-V687 HydrophobicContact CG2-CG2 3.79Å; F681-V687 HydrophobicContact CB-CB 4.05Å; F681-V687 HydrophobicContact CB-CG2 3.94Å; F681-V687 HydrophobicContact CD1-CG2 3.94Å; F681-V687 HydrophobicContact CG-CB 4.44Å; F681-V687 HydrophobicContact CG-CG2 4.08Å; F681-V687 PolarHBondContact O-N 3.47Å; L685-V687 VanDerWaalsContact C-N 3.29Å; L685-V687 HydrophobicContact CB-CG2 3.88Å; L685-V687 PolarHBondContact O-N 2.94Å; V687-Y704 HydrophobicContact CB-CE1 4.16Å; V687-Y704 WeakPolarHBondContact O-CE1 3.38Å; V687-Y704 PolarHBondContact O-OH 3.2Å
688D92.2Very high90.6Very high133 Ų13346.6 Ų46.671%0.71126%0.256SS*.PPolyproline II helixtrans-59.2139.4173-66.1-52.3000109.9L690D688-L690 PolarHBondContact O-N 3.47Å
689P94.9Very high90.3Very high31 Ų3153 Ų5320%0.20128%0.282CS..PPolyproline II helixtrans-54.6124-178.3-26.334.2000112L691 D702P689-L691 VanDerWaalsContact C-N 3.27Å; P689-L691 PolarHBondContact O-N 3.33Å; P689-D702 HydrophobicContact CB-CB 3.69Å; P689-D702 HydrophobicContact CG-CB 3.55Å
690L95.1Very high90.3Very high17 Ų1755.6 Ų55.69%0.08930%0.297CS..SBendtrans-67.2-31.7-177-62.1176.3000111.8L608 F681 D688 C703 Y704 P740 C742L608-L690 HydrophobicContact CD2-CD1 4.17Å; L608-L690 HydrophobicContact CD2-CD2 3.79Å; F681-L690 HydrophobicContact CE2-CD1 4.5Å; D688-L690 PolarHBondContact O-N 3.47Å; L690-C703 PolarHBondContact N-O 2.8Å; L690-Y704 HydrophobicContact CG-CD1 4.16Å; L690-P740 WeakPolarHBondContact O-CB 3.37Å; L690-C742 HydrophobicContact CD1-CB 4.28Å; L690-C742 HydrophobicContact CD2-CB 4.4Å
691L95.9Very high90.1Very high0 Ų060.8 Ų60.80%032%0.321CS..EExtended strand (participates in β ladder)trans-119.4126.2-178.8-53.6-173.6000110.7P689 C703 F736 P740 L743P689-L691 VanDerWaalsContact C-N 3.27Å; P689-L691 PolarHBondContact O-N 3.33Å; L691-C703 PolarHBondContact N-O 2.93Å; L691-C703 PolarHBondContact O-N 3.27Å; L691-F736 HydrophobicContact CD2-CE1 4.19Å; L691-P740 HydrophobicContact CD2-CB 3.63Å; L691-P740 HydrophobicContact CD2-CG 4.01Å; L691-L743 HydrophobicContact CD1-CD1 3.85Å; L691-L743 HydrophobicContact CD2-CB 4.28Å; L691-L743 HydrophobicContact CD2-CD1 3.65Å; L691-L743 HydrophobicContact CG-CD1 4.42Å
692K94.7Very high90.1Very high57 Ų5765.6 Ų65.625%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-112.8102.6171-60.8-155.6-172.490.30109.5V700 A737 E738K692-V700 HydrophobicContact CB-CG1 3.75Å; K692-V700 HydrophobicContact CD-CG1 4.39Å; K692-V700 HydrophobicContact CG-CG1 4.41Å; K692-A737 HydrophobicContact CB-CB 4.27Å; K692-A737 PolarHBondContact O-N 3.04Å; K692-E738 HydrophobicContact CB-CG 4.23Å; K692-E738 HydrophobicContact CD-CG 4.36Å; K692-E738 WeakPolarHBondContact CD-OE2 3.39Å; K692-E738 HydrophobicContact CG-CG 4.33Å; K692-E738 IonicContact NZ-OE1 3.66Å; K692-E738 PolarHBondContact NZ-OE1 3.04Å; K692-E738 IonicContact NZ-OE2 2.74Å; K692-E738 PolarHBondContact NZ-OE2 3.18Å
693L93.8Very high90.2Very high12 Ų1262.1 Ų62.16%0.06333%0.334CS..EExtended strand (participates in β ladder)trans-103.6142.8-175.1-58.4179.6000110.6V700 Q701 Y706 F729 L734 K735 F736L693-V700 CarbonylContact O-C 3.57Å; L693-V700 WeakPolarHBondContact O-CA 3.48Å; L693-Q701 PolarHBondContact N-O 2.88Å; L693-Q701 PolarHBondContact O-N 2.8Å; L693-Y706 HydrophobicContact CD1-CD2 3.61Å; L693-Y706 HydrophobicContact CD1-CE2 4.02Å; L693-F729 HydrophobicContact CD2-CE1 4.21Å; L693-F729 HydrophobicContact CD2-CZ 3.65Å; L693-L734 HydrophobicContact CB-CD2 4.48Å; L693-K735 WeakPolarHBondContact CA-O 3.32Å; L693-F736 HydrophobicContact CD2-CD1 3.51Å; L693-F736 HydrophobicContact CD2-CE1 3.59Å; L693-F736 HydrophobicContact CD2-CG 4.34Å; L693-F736 HydrophobicContact CD2-CZ 4.48Å
694R89.9Confident90.5Very high78 Ų7858.5 Ų58.529%0.29432%0.317SS..EExtended strand (participates in β ladder)trans-128.3133170.4-160.7-176.2-59.91466.4110.2Q698 L734 K735 E773R694-Q698 WeakPolarHBondContact CD-O 3.22Å; R694-Q698 WeakPolarHBondContact CG-O 3.3Å; R694-L734 CarbonylContact O-C 3.57Å; R694-L734 WeakPolarHBondContact O-CA 3.33Å; R694-K735 PolarHBondContact N-O 2.77Å; R694-K735 PolarHBondContact O-N 3.25Å; R694-E773 WeakPolarHBondContact CD-OE1 3.42Å; R694-E773 IonicContact CZ-OE1 2.62Å; R694-E773 IonicContact CZ-OE2 3.28Å; R694-E773 IonicContact NE-OE1 3.67Å; R694-E773 IonicContact NE-OE2 2.72Å; R694-E773 IonicContact NH1-OE1 2.77Å; R694-E773 PolarHBondContact NH1-OE1 2.89Å; R694-E773 IonicContact NH1-OE2 2.73Å; R694-E773 PolarHBondContact NH1-OE2 3.36Å; R694-E773 IonicContact NH2-OE2 3.16Å; R694-E773 PolarHBondContact NH2-OE2 2.85Å; R694-E773 VanDerWaalsContact NH2-OE2 3.13Å
695S87.5Confident90.6Very high21 Ų2159.4 Ų59.415%0.14732%0.321CS..EExtended strand (participates in β ladder)trans-93.1147.9164.3-174.80000109.4G697 Q698 S732 D733S695-G697 PolarHBondContact O-N 2.87Å; S695-G697 VanDerWaalsContact O-N 3.09Å; S695-Q698 WeakPolarHBondContact O-CB 3.31Å; S695-Q698 PolarHBondContact O-N 3.02Å; S695-S732 PolarHBondContact OG-O 2.98Å; S695-D733 WeakPolarHBondContact CA-O 2.94Å
696A75.6Confident90.7Very high65 Ų6560 Ų6054%0.53732%0.323SS..THydrogen-bonded Turntrans-49.2115-168.100000114.3Q698 D733A696-Q698 VanDerWaalsContact C-N 3.26Å; A696-Q698 PolarHBondContact O-N 3.39Å; A696-D733 WeakPolarHBondContact CB-OD2 3.44Å; A696-D733 PolarHBondContact N-O 2.83Å
697G67.3Low90.8Very high86 Ų8657.2 Ų57.289%0.88732%0.315SS*.THydrogen-bonded Turntrans76.30179.800000116.1S695S695-G697 PolarHBondContact O-N 2.87Å; S695-G697 VanDerWaalsContact O-N 3.09Å
698Q82.2Confident90.7Very high110 Ų11056.6 Ų56.651%0.51431%0.31SS..SBendtrans-87.1174175.3-58.1-165.12.400112.3R694 S695 A696R694-Q698 WeakPolarHBondContact CD-O 3.22Å; R694-Q698 WeakPolarHBondContact CG-O 3.3Å; S695-Q698 WeakPolarHBondContact O-CB 3.31Å; S695-Q698 PolarHBondContact O-N 3.02Å; A696-Q698 VanDerWaalsContact C-N 3.26Å; A696-Q698 PolarHBondContact O-N 3.39Å
699K87.9Confident90.3Very high186 Ų18655.8 Ų55.881%0.80930%0.301SS*.PPolyproline II helixtrans-68.8156.9167-67.5-175.6179.3-179.40110.4
700V91.6Very high89.8Confident54 Ų5455.5 Ų55.533%0.32730%0.297SS..EExtended strand (participates in β ladder)trans-60.6138.6166178.10000109.2K692 L693 A737K692-V700 HydrophobicContact CB-CG1 3.75Å; K692-V700 HydrophobicContact CD-CG1 4.39Å; K692-V700 HydrophobicContact CG-CG1 4.41Å; L693-V700 CarbonylContact O-C 3.57Å; L693-V700 WeakPolarHBondContact O-CA 3.48Å; V700-A737 HydrophobicContact CG2-CB 4.05Å
701Q91.8Very high89Confident111 Ų11162.5 Ų62.552%0.51933%0.33SS..EExtended strand (participates in β ladder)trans-111.5135.3172.3-58.4-173.326.300108.6L693L693-Q701 PolarHBondContact N-O 2.88Å; L693-Q701 PolarHBondContact O-N 2.8Å
702D93.9Very high88Confident101 Ų10167.7 Ų67.754%0.5435%0.352SS..EExtended strand (participates in β ladder)trans-105.4129.3-172.4-74.4-21.9000110P689P689-D702 HydrophobicContact CB-CB 3.69Å; P689-D702 HydrophobicContact CG-CB 3.55Å
703C94.3Very high87.1Confident34 Ų3468.4 Ų68.423%0.2336%0.355CS..EExtended strand (participates in β ladder)trans-152.9166.8178.550.40000112.7L690 L691L690-C703 PolarHBondContact N-O 2.8Å; L691-C703 PolarHBondContact N-O 2.93Å; L691-C703 PolarHBondContact O-N 3.27Å
704Y95.6Very high85.8Confident14 Ų1474.5 Ų74.56%0.05539%0.388CS..SBendtrans-99.2-19.8179.8-62-75.7000113.4F681 H682 V687 L690F681-Y704 HydrophobicContact CB-CD1 3.94Å; F681-Y704 HydrophobicContact CB-CE1 3.81Å; F681-Y704 HydrophobicContact CB-CE2 4.49Å; F681-Y704 HydrophobicContact CB-CG 4.36Å; F681-Y704 AromaticContact CD2-CD1 3.96Å; F681-Y704 HydrophobicContact CD2-CD1 3.96Å; F681-Y704 HydrophobicContact CD2-CG 4.3Å; F681-Y704 HydrophobicContact CG-CD1 4.44Å; H682-Y704 HydrophobicContact CB-CE2 3.77Å; H682-Y704 AromaticContact ND1-CE2 3.82Å; H682-Y704 PolarHBondContact ND1-OH 3.4Å; V687-Y704 HydrophobicContact CB-CE1 4.16Å; V687-Y704 WeakPolarHBondContact O-CE1 3.38Å; V687-Y704 PolarHBondContact O-OH 3.2Å; L690-Y704 HydrophobicContact CG-CD1 4.16Å
705F96.1Very high84.8Confident19 Ų1980.7 Ų80.78%0.08342%0.417CS..SBendtrans-153.5165-177.448.7-99.7000109.3E674 L677 I744E674-F705 HydrophobicContact CB-CE1 4.04Å; E674-F705 HydrophobicContact CB-CE2 3.95Å; E674-F705 HydrophobicContact CB-CZ 3.54Å; E674-F705 HydrophobicContact CG-CE1 4.34Å; E674-F705 HydrophobicContact CG-CE2 3.97Å; E674-F705 HydrophobicContact CG-CZ 3.48Å; E674-F705 VanDerWaalsContact CG-CZ 3.48Å; E674-F705 WeakPolarHBondContact OE1-CE2 3.21Å; E674-F705 WeakPolarHBondContact OE1-CZ 3.4Å; L677-F705 HydrophobicContact CB-CE1 4.39Å; L677-F705 HydrophobicContact CD1-CD1 4.4Å; F705-I744 CarbonylContact C-O 3.52Å; F705-I744 VanDerWaalsContact CA-O 3.28Å; F705-I744 WeakPolarHBondContact CA-O 3.49Å; F705-I744 HydrophobicContact CB-CB 3.76Å; F705-I744 HydrophobicContact CB-CG2 3.75Å
706Y96.7Very high84.4Confident15 Ų1581.7 Ų81.76%0.05942%0.422CS..EExtended strand (participates in β ladder)trans-124.6121.3-179.1-178.7-108.8000111.9L693 I708 L725 S728 F729 L734 I744 I745 Q746L693-Y706 HydrophobicContact CD1-CD2 3.61Å; L693-Y706 HydrophobicContact CD1-CE2 4.02Å; Y706-I708 HydrophobicContact CD1-CD1 4.13Å; Y706-I708 HydrophobicContact CE1-CD1 3.96Å; Y706-L725 HydrophobicContact CD1-CD1 3.79Å; Y706-L725 HydrophobicContact CE1-CD1 3.92Å; Y706-S728 WeakPolarHBondContact CE1-OG 3.49Å; Y706-S728 WeakPolarHBondContact OH-CB 3.29Å; Y706-S728 PolarHBondContact OH-O 3.33Å; Y706-S728 PolarHBondContact OH-OG 3.31Å; Y706-F729 HydrophobicContact CD1-CD2 4.5Å; Y706-F729 AromaticContact CD1-CE2 3.88Å; Y706-F729 HydrophobicContact CD1-CE2 3.88Å; Y706-F729 HydrophobicContact CD2-CE2 4.32Å; Y706-F729 AromaticContact CE1-CD2 3.72Å; Y706-F729 HydrophobicContact CE1-CD2 3.72Å; Y706-F729 AromaticContact CE1-CE2 3.5Å; Y706-F729 HydrophobicContact CE1-CE2 3.5Å; Y706-F729 HydrophobicContact CE2-CD2 4.48Å; Y706-F729 AromaticContact CE2-CE2 3.99Å; Y706-F729 HydrophobicContact CE2-CE2 3.99Å; Y706-F729 HydrophobicContact CG-CE2 4.26Å; Y706-F729 AromaticContact CZ-CD2 3.7Å; Y706-F729 AromaticContact CZ-CE2 3.56Å; Y706-L734 HydrophobicContact CE2-CD1 3.74Å; Y706-I744 PolarHBondContact N-O 3.27Å; Y706-I745 CarbonylContact O-C 3.52Å; Y706-I745 WeakPolarHBondContact O-CA 3.05Å; Y706-Q746 PolarHBondContact O-N 2.71Å
707Q94.9Very high84.8Confident41 Ų4180.1 Ų80.119%0.19241%0.412CS..EExtended strand (participates in β ladder)trans-79.7127.3170.4177.359.460.400110.7F709 Q746 M747Q707-F709 HydrophobicContact CB-CD2 4.13Å; Q707-F709 HydrophobicContact CB-CE2 3.61Å; Q707-F709 HydrophobicContact CB-CZ 4.11Å; Q707-F709 HydrophobicContact CG-CD1 4.43Å; Q707-F709 HydrophobicContact CG-CD2 3.89Å; Q707-F709 HydrophobicContact CG-CE1 4Å; Q707-F709 HydrophobicContact CG-CE2 3.43Å; Q707-F709 VanDerWaalsContact CG-CE2 3.43Å; Q707-F709 HydrophobicContact CG-CG 4.38Å; Q707-F709 HydrophobicContact CG-CZ 3.48Å; Q707-F709 VanDerWaalsContact CG-CZ 3.48Å; Q707-F709 WeakPolarHBondContact O-CD2 3.22Å; Q707-F709 PolarHBondContact O-N 2.84Å; Q707-Q746 HydrophobicContact CB-CB 4.5Å; Q707-Q746 PolarHBondContact NE2-O 2.95Å; Q707-M747 PolarHBondContact NE2-O 2.82Å
708I93.1Very high86Confident3 Ų376.3 Ų76.32%0.01537%0.372CS..  trans-67.1120.3169-64.1-57.9000109.6Y706 M710 L724 L725 I745 Q746 P748Y706-I708 HydrophobicContact CD1-CD1 4.13Å; Y706-I708 HydrophobicContact CE1-CD1 3.96Å; I708-M710 HydrophobicContact CG2-CE 3.53Å; I708-L724 HydrophobicContact CD1-CB 4.18Å; I708-L724 HydrophobicContact CG1-CB 4.3Å; I708-L724 HydrophobicContact CG2-CB 4.23Å; I708-L725 HydrophobicContact CD1-CB 4.47Å; I708-L725 HydrophobicContact CD1-CD1 4.42Å; I708-I745 HydrophobicContact CD1-CG2 3.63Å; I708-I745 HydrophobicContact CG1-CG2 3.61Å; I708-Q746 VanDerWaalsContact CG1-O 3.32Å; I708-Q746 WeakPolarHBondContact CG1-O 3.37Å; I708-Q746 PolarHBondContact N-O 3.31Å; I708-Q746 VanDerWaalsContact N-O 3.17Å; I708-P748 HydrophobicContact CB-CB 4.42Å; I708-P748 HydrophobicContact CG2-CB 4.05Å; I708-P748 HydrophobicContact CG2-CG 4.04Å
709F84.3Confident86.6Confident117 Ų11771.1 Ų71.151%0.51335%0.347SS..  trans-123.6119.7173.9-74-71.1000110.3Q707 S728Q707-F709 HydrophobicContact CB-CD2 4.13Å; Q707-F709 HydrophobicContact CB-CE2 3.61Å; Q707-F709 HydrophobicContact CB-CZ 4.11Å; Q707-F709 HydrophobicContact CG-CD1 4.43Å; Q707-F709 HydrophobicContact CG-CD2 3.89Å; Q707-F709 HydrophobicContact CG-CE1 4Å; Q707-F709 HydrophobicContact CG-CE2 3.43Å; Q707-F709 VanDerWaalsContact CG-CE2 3.43Å; Q707-F709 HydrophobicContact CG-CG 4.38Å; Q707-F709 HydrophobicContact CG-CZ 3.48Å; Q707-F709 VanDerWaalsContact CG-CZ 3.48Å; Q707-F709 WeakPolarHBondContact O-CD2 3.22Å; Q707-F709 PolarHBondContact O-N 2.84Å; F709-S728 PolarHBondContact N-OG 3.5Å; F709-S728 WeakPolarHBondContact O-CA 3.07Å; F709-S728 PolarHBondContact O-OG 3.23Å
710M83.7Confident87Confident25 Ų2563.2 Ų63.212%0.12332%0.315CS..  trans-159.4166.7177.266.8179.359.400112I708 L724 W727 M756 F757I708-M710 HydrophobicContact CG2-CE 3.53Å; M710-L724 HydrophobicContact CE-CB 4.25Å; M710-L724 HydrophobicContact CE-CD2 3.63Å; M710-L724 VanDerWaalsContact CE-O 3.32Å; M710-L724 WeakPolarHBondContact CE-O 3.49Å; M710-L724 HydrophobicContact SD-CD2 3.84Å; M710-W727 HydrophobicContact CE-CB 3.8Å; M710-W727 HydrophobicContact CE-CE3 4.02Å; M710-W727 HydrophobicContact SD-CE3 3.82Å; M710-M756 HydrophobicContact CG-CE 4.38Å; M710-M756 HydrophobicContact CG-SD 3.88Å; M710-M756 WeakPolarHBondContact O-CE 3.22Å; M710-M756 HydrophobicContact SD-SD 4.34Å; M710-F757 HydrophobicContact SD-CE2 4.32Å; M710-F757 HydrophobicContact SD-CZ 4.34Å
711E78.1Confident87.2Confident164 Ų16460.7 Ų60.777%0.76630%0.299SS*.  trans-79.9143159-67.2166.6-166.800109.9
712K75.2Confident87.3Confident108 Ų10856.6 Ų56.647%0.4728%0.28SS..  trans-67.1134.6178.9-175.7176.5177.2171.90110.1M756 F757K712-M756 HydrophobicContact CB-CG 4.18Å; K712-M756 HydrophobicContact CB-SD 4.26Å; K712-M756 HydrophobicContact CD-CG 4.31Å; K712-M756 WeakPolarHBondContact CE-O 3.2Å; K712-M756 HydrophobicContact CG-CG 4.19Å; K712-M756 PolarHBondContact NZ-O 3.5Å; K712-F757 HydrophobicContact CG-CE1 4.34Å; K712-F757 HydrophobicContact CG-CZ 4.48Å
713K75.3Confident87.3Confident72 Ų7254.8 Ų54.831%0.31327%0.268SS..  trans-106.995.4178.2-66.4-178.1-178.11780110.1K715 V716 W727K713-K715 PolarHBondContact O-N 2.99Å; K713-V716 PolarHBondContact O-N 2.82Å; K713-W727 HydrophobicContact CD-CD2 3.97Å; K713-W727 HydrophobicContact CD-CE3 4.01Å; K713-W727 HydrophobicContact CD-CZ2 4.44Å; K713-W727 HydrophobicContact CD-CZ3 4.29Å; K713-W727 VanDerWaalsContact NZ-CD1 3.32Å; K713-W727 VanDerWaalsContact NZ-CG 3.31Å
714D66.5Low87.3Confident140 Ų14053.1 Ų53.175%0.74926%0.258SS*.THydrogen-bonded Turntrans-59.9-14.8-172.2-51.8-54.6000115V716D714-V716 VanDerWaalsContact C-N 3.28Å; D714-V716 PolarHBondContact O-N 2.84Å
715K70.1Confident87.3Confident209 Ų20952.5 Ų52.591%0.90926%0.255SS*.THydrogen-bonded Turntrans-77.4-5175.5-62.7-178.9-178.3174.30114.3K713K713-K715 PolarHBondContact O-N 2.99Å
716V79Confident87.1Confident41 Ų4152.7 Ų52.725%0.24826%0.256CS..  trans-123.8109.6180-177.30000110.2K713 D714 P719 W727K713-V716 PolarHBondContact O-N 2.82Å; D714-V716 VanDerWaalsContact C-N 3.28Å; D714-V716 PolarHBondContact O-N 2.84Å; V716-P719 HydrophobicContact CG1-CB 4.19Å; V716-W727 HydrophobicContact CB-CH2 4.15Å; V716-W727 HydrophobicContact CG1-CH2 4.15Å; V716-W727 HydrophobicContact CG2-CH2 3.88Å; V716-W727 HydrophobicContact CG2-CZ2 4.39Å
717G83.4Confident86.9Confident32 Ų3252.8 Ų52.833%0.3326%0.256SS..SBendtrans-75.7-33-175.700000115.2H915G717-H915 VanDerWaalsContact CA-CE1 3.45Å; G717-H915 WeakPolarHBondContact CA-CE1 3.06Å; G717-H915 WeakPolarHBondContact CA-ND1 3.09Å; G717-H915 PolarHBondContact O-ND1 3.24Å
718V92.6Very high86.8Confident7 Ų750.8 Ų50.84%0.04225%0.247CC..SBendtrans-139.5106.7173.8177.60000107.9K759 F761 P911 H915V718-K759 HydrophobicContact CG1-CB 4.16Å; V718-K759 HydrophobicContact CG2-CB 3.97Å; V718-K759 HydrophobicContact CG2-CD 4.45Å; V718-K759 HydrophobicContact CG2-CG 4.43Å; V718-F761 HydrophobicContact CG1-CB 4.25Å; V718-P911 HydrophobicContact CB-CB 4.32Å; V718-P911 HydrophobicContact CG1-CB 4.36Å; V718-P911 WeakPolarHBondContact O-CB 3.49Å; V718-H915 HydrophobicContact CG2-CB 3.79Å
719P94.4Very high86.8Confident0 Ų050.8 Ų50.80%025%0.247CC..  trans-83.6152.7178.334.2-35.6000111.4V716 L724 W727 F757 F761V716-P719 HydrophobicContact CG1-CB 4.19Å; P719-L724 HydrophobicContact CB-CD2 3.84Å; P719-L724 HydrophobicContact CB-CG 4.04Å; P719-L724 HydrophobicContact CG-CD1 4.29Å; P719-L724 HydrophobicContact CG-CD2 3.78Å; P719-L724 HydrophobicContact CG-CG 4.12Å; P719-W727 HydrophobicContact CB-CH2 4.31Å; P719-W727 HydrophobicContact CB-CZ3 4.05Å; P719-F757 HydrophobicContact CG-CB 4.29Å; P719-F757 HydrophobicContact CG-CD1 3.72Å; P719-F757 HydrophobicContact CG-CD2 3.74Å; P719-F757 HydrophobicContact CG-CE1 3.89Å; P719-F757 HydrophobicContact CG-CE2 3.91Å; P719-F757 HydrophobicContact CG-CG 3.64Å; P719-F757 HydrophobicContact CG-CZ 3.98Å; P719-F761 PolarHBondContact O-N 2.89Å
720T95.4Very high87Confident20 Ų2046.8 Ų46.812%0.12323%0.231CC..BIsolated β-bridgetrans-87.2153.5170.272.70000111.7Q722 Q723 L724 F761 P911T720-Q722 PolarHBondContact O-N 2.98Å; T720-Q723 WeakPolarHBondContact O-CB 3.4Å; T720-Q723 PolarHBondContact O-N 3.11Å; T720-Q723 WeakPolarHBondContact OG1-CG 3.32Å; T720-Q723 PolarHBondContact OG1-N 3.1Å; T720-Q723 VanDerWaalsContact OG1-N 3.14Å; T720-L724 WeakPolarHBondContact O-CG 3.37Å; T720-L724 PolarHBondContact O-N 3.31Å; T720-F761 CarbonylContact C-O 3.57Å; T720-F761 VanDerWaalsContact CA-O 3.3Å; T720-F761 WeakPolarHBondContact CA-O 3.24Å; T720-F761 HydrophobicContact CG2-CB 4.12Å; T720-F761 HydrophobicContact CG2-CD1 3.95Å; T720-F761 HydrophobicContact CG2-CG 4.3Å; T720-P911 HydrophobicContact CG2-CG 3.79Å
721S96.1Very high87.2Confident1 Ų148.8 Ų48.81%0.00725%0.245CC..Hα-helixtrans-59.5-31.5174.956.20000112.9L724 L725 F761 S763 Y938S721-L724 PolarHBondContact O-N 2.86Å; S721-L725 WeakPolarHBondContact O-CB 3.24Å; S721-L725 PolarHBondContact O-N 3.19Å; S721-F761 PolarHBondContact N-O 3.41Å; S721-S763 WeakPolarHBondContact OG-CB 3.35Å; S721-S763 PolarHBondContact OG-N 3.07Å; S721-S763 PolarHBondContact OG-OG 2.99Å; S721-Y938 PolarHBondContact OG-OH 3.44Å
722Q95.5Very high87.7Confident26 Ų2643.1 Ų43.112%0.12122%0.223CC..Hα-helixtrans-60.1-50.1169.2179.572.731.100111.9T720 L724 L725 E726 S763 L766 D767T720-Q722 PolarHBondContact O-N 2.98Å; Q722-L724 VanDerWaalsContact C-N 3.32Å; Q722-L724 PolarHBondContact O-N 3.48Å; Q722-L725 PolarHBondContact O-N 2.77Å; Q722-E726 PolarHBondContact NE2-OE1 2.84Å; Q722-E726 WeakPolarHBondContact O-CB 3.5Å; Q722-E726 WeakPolarHBondContact O-CG 3.31Å; Q722-E726 PolarHBondContact O-N 3.12Å; Q722-S763 PolarHBondContact N-OG 2.84Å; Q722-L766 VanDerWaalsContact CA-CD2 3.5Å; Q722-L766 HydrophobicContact CB-CD2 3.8Å; Q722-L766 VanDerWaalsContact OE1-CD2 3.27Å; Q722-D767 PolarHBondContact NE2-O 3.46Å
723Q92.6Very high88.3Confident62 Ų6240.7 Ų40.729%0.2922%0.215SC..Hα-helixtrans-61.9-41177.1-74.2168.1-18.300111.5T720 E726 W727T720-Q723 WeakPolarHBondContact O-CB 3.4Å; T720-Q723 PolarHBondContact O-N 3.11Å; T720-Q723 WeakPolarHBondContact OG1-CG 3.32Å; T720-Q723 PolarHBondContact OG1-N 3.1Å; T720-Q723 VanDerWaalsContact OG1-N 3.14Å; Q723-E726 PolarHBondContact O-N 2.96Å; Q723-W727 HydrophobicContact CB-CH2 3.99Å; Q723-W727 HydrophobicContact CB-CZ2 3.85Å; Q723-W727 HydrophobicContact CB-CZ3 4.41Å; Q723-W727 HydrophobicContact CG-CZ2 4.15Å; Q723-W727 WeakPolarHBondContact O-CB 3.43Å; Q723-W727 PolarHBondContact O-N 3.45Å
724L94.4Very high89.1Confident0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-62.6-46.9179.3-69.8177.9000111.4I708 M710 P719 T720 S721 Q722 S728 M747 P748 F757 I760I708-L724 HydrophobicContact CD1-CB 4.18Å; I708-L724 HydrophobicContact CG1-CB 4.3Å; I708-L724 HydrophobicContact CG2-CB 4.23Å; M710-L724 HydrophobicContact CE-CB 4.25Å; M710-L724 HydrophobicContact CE-CD2 3.63Å; M710-L724 VanDerWaalsContact CE-O 3.32Å; M710-L724 WeakPolarHBondContact CE-O 3.49Å; M710-L724 HydrophobicContact SD-CD2 3.84Å; P719-L724 HydrophobicContact CB-CD2 3.84Å; P719-L724 HydrophobicContact CB-CG 4.04Å; P719-L724 HydrophobicContact CG-CD1 4.29Å; P719-L724 HydrophobicContact CG-CD2 3.78Å; P719-L724 HydrophobicContact CG-CG 4.12Å; T720-L724 WeakPolarHBondContact O-CG 3.37Å; T720-L724 PolarHBondContact O-N 3.31Å; S721-L724 PolarHBondContact O-N 2.86Å; Q722-L724 VanDerWaalsContact C-N 3.32Å; Q722-L724 PolarHBondContact O-N 3.48Å; L724-S728 VanDerWaalsContact O-CB 3.24Å; L724-S728 WeakPolarHBondContact O-CB 3.49Å; L724-S728 PolarHBondContact O-N 3.07Å; L724-M747 HydrophobicContact CD1-SD 4.24Å; L724-P748 HydrophobicContact CD1-CG 4.41Å; L724-P748 HydrophobicContact CD2-CG 4.4Å; L724-F757 HydrophobicContact CD2-CD2 4.37Å; L724-F757 HydrophobicContact CD2-CE2 3.74Å; L724-F757 HydrophobicContact CD2-CZ 4.32Å; L724-I760 HydrophobicContact CD1-CD1 4.06Å; L724-I760 HydrophobicContact CD1-CG1 4.37Å; L724-I760 HydrophobicContact CD1-CG2 3.71Å
725L95.6Very high90.3Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-62.9-47.3177.2-174.766000111.6Y706 I708 S721 Q722 S728 F729 L743 I745 L766 I768 L771Y706-L725 HydrophobicContact CD1-CD1 3.79Å; Y706-L725 HydrophobicContact CE1-CD1 3.92Å; I708-L725 HydrophobicContact CD1-CB 4.47Å; I708-L725 HydrophobicContact CD1-CD1 4.42Å; S721-L725 WeakPolarHBondContact O-CB 3.24Å; S721-L725 PolarHBondContact O-N 3.19Å; Q722-L725 PolarHBondContact O-N 2.77Å; L725-S728 PolarHBondContact O-N 3.02Å; L725-F729 HydrophobicContact CD1-CD2 3.75Å; L725-F729 HydrophobicContact CD1-CE2 3.47Å; L725-F729 VanDerWaalsContact CD1-CE2 3.47Å; L725-F729 HydrophobicContact CD1-CZ 4.32Å; L725-F729 HydrophobicContact CG-CD2 4.3Å; L725-F729 HydrophobicContact CG-CE2 4.35Å; L725-F729 WeakPolarHBondContact O-CB 3.38Å; L725-F729 WeakPolarHBondContact O-CD2 3.3Å; L725-F729 PolarHBondContact O-N 3.41Å; L725-L743 HydrophobicContact CD2-CD2 4.3Å; L725-I745 HydrophobicContact CD1-CD1 4.2Å; L725-I745 HydrophobicContact CD2-CD1 4.13Å; L725-L766 HydrophobicContact CD2-CD1 4.08Å; L725-I768 HydrophobicContact CD2-CG2 4.42Å; L725-L771 HydrophobicContact CD2-CD1 3.71Å; L725-L771 HydrophobicContact CG-CD1 3.78Å
726E92.6Very high91.5Very high24 Ų2423.4 Ų23.411%0.11213%0.134CC..Hα-helixtrans-57.9-51.1176.6-80.5-175-141.500111.8Q722 Q723 S728 F729 I730 L771 I804Q722-E726 PolarHBondContact NE2-OE1 2.84Å; Q722-E726 WeakPolarHBondContact O-CB 3.5Å; Q722-E726 WeakPolarHBondContact O-CG 3.31Å; Q722-E726 PolarHBondContact O-N 3.12Å; Q723-E726 PolarHBondContact O-N 2.96Å; E726-S728 PolarHBondContact O-N 2.92Å; E726-F729 PolarHBondContact O-N 3.29Å; E726-I730 HydrophobicContact CB-CD1 4.44Å; E726-I730 WeakPolarHBondContact O-CB 3.44Å; E726-I730 VanDerWaalsContact O-CD1 3.32Å; E726-I730 WeakPolarHBondContact O-CD1 3.15Å; E726-I730 WeakPolarHBondContact O-CG1 3.47Å; E726-I730 PolarHBondContact O-N 2.69Å; E726-L771 HydrophobicContact CG-CD2 4.49Å; E726-I804 HydrophobicContact CG-CD1 4.36Å
727W91.2Very high92.1Very high16 Ų1622.7 Ų22.76%0.06113%0.133CC..Hα-helixtrans-63.3-41.2179.8-63.6-16.3000112.2M710 K713 V716 P719 Q723 I730 T731 Y794M710-W727 HydrophobicContact CE-CB 3.8Å; M710-W727 HydrophobicContact CE-CE3 4.02Å; M710-W727 HydrophobicContact SD-CE3 3.82Å; K713-W727 HydrophobicContact CD-CD2 3.97Å; K713-W727 HydrophobicContact CD-CE3 4.01Å; K713-W727 HydrophobicContact CD-CZ2 4.44Å; K713-W727 HydrophobicContact CD-CZ3 4.29Å; K713-W727 VanDerWaalsContact NZ-CD1 3.32Å; K713-W727 VanDerWaalsContact NZ-CG 3.31Å; V716-W727 HydrophobicContact CB-CH2 4.15Å; V716-W727 HydrophobicContact CG1-CH2 4.15Å; V716-W727 HydrophobicContact CG2-CH2 3.88Å; V716-W727 HydrophobicContact CG2-CZ2 4.39Å; P719-W727 HydrophobicContact CB-CH2 4.31Å; P719-W727 HydrophobicContact CB-CZ3 4.05Å; Q723-W727 HydrophobicContact CB-CH2 3.99Å; Q723-W727 HydrophobicContact CB-CZ2 3.85Å; Q723-W727 HydrophobicContact CB-CZ3 4.41Å; Q723-W727 HydrophobicContact CG-CZ2 4.15Å; Q723-W727 WeakPolarHBondContact O-CB 3.43Å; Q723-W727 PolarHBondContact O-N 3.45Å; W727-I730 PolarHBondContact O-N 3.46Å; W727-T731 WeakPolarHBondContact O-CB 3.46Å; W727-T731 PolarHBondContact O-N 2.82Å; W727-T731 PolarHBondContact O-OG1 3.36Å; W727-Y794 AromaticContact CD1-CE1 3.72Å; W727-Y794 AromaticContact CD1-CZ 3.79Å; W727-Y794 AromaticContact NE1-CE1 3.83Å; W727-Y794 AromaticContact NE1-CZ 3.81Å; W727-Y794 PolarHBondContact NE1-OH 2.89Å
728S93.4Very high92.4Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-64.1-41.8178.8-1670000112.2Y706 F709 L724 L725 E726 S732Y706-S728 WeakPolarHBondContact CE1-OG 3.49Å; Y706-S728 WeakPolarHBondContact OH-CB 3.29Å; Y706-S728 PolarHBondContact OH-O 3.33Å; Y706-S728 PolarHBondContact OH-OG 3.31Å; F709-S728 PolarHBondContact N-OG 3.5Å; F709-S728 WeakPolarHBondContact O-CA 3.07Å; F709-S728 PolarHBondContact O-OG 3.23Å; L724-S728 VanDerWaalsContact O-CB 3.24Å; L724-S728 WeakPolarHBondContact O-CB 3.49Å; L724-S728 PolarHBondContact O-N 3.07Å; L725-S728 PolarHBondContact O-N 3.02Å; E726-S728 PolarHBondContact O-N 2.92Å; S728-S732 VanDerWaalsContact O-CB 3.27Å; S728-S732 WeakPolarHBondContact O-CB 3.47Å; S728-S732 PolarHBondContact O-N 3.19Å; S728-S732 VanDerWaalsContact O-N 3.14Å; S728-S732 PolarHBondContact O-OG 3.22Å
729F92.6Very high92.4Very high2 Ų227.2 Ų27.21%0.00915%0.152CC..Hα-helixtrans-68.1-43.5175.3-90.9-127.6000112L693 Y706 L725 E726 S732 D733 L734 F736 L771L693-F729 HydrophobicContact CD2-CE1 4.21Å; L693-F729 HydrophobicContact CD2-CZ 3.65Å; Y706-F729 HydrophobicContact CD1-CD2 4.5Å; Y706-F729 AromaticContact CD1-CE2 3.88Å; Y706-F729 HydrophobicContact CD1-CE2 3.88Å; Y706-F729 HydrophobicContact CD2-CE2 4.32Å; Y706-F729 AromaticContact CE1-CD2 3.72Å; Y706-F729 HydrophobicContact CE1-CD2 3.72Å; Y706-F729 AromaticContact CE1-CE2 3.5Å; Y706-F729 HydrophobicContact CE1-CE2 3.5Å; Y706-F729 HydrophobicContact CE2-CD2 4.48Å; Y706-F729 AromaticContact CE2-CE2 3.99Å; Y706-F729 HydrophobicContact CE2-CE2 3.99Å; Y706-F729 HydrophobicContact CG-CE2 4.26Å; Y706-F729 AromaticContact CZ-CD2 3.7Å; Y706-F729 AromaticContact CZ-CE2 3.56Å; L725-F729 HydrophobicContact CD1-CD2 3.75Å; L725-F729 HydrophobicContact CD1-CE2 3.47Å; L725-F729 VanDerWaalsContact CD1-CE2 3.47Å; L725-F729 HydrophobicContact CD1-CZ 4.32Å; L725-F729 HydrophobicContact CG-CD2 4.3Å; L725-F729 HydrophobicContact CG-CE2 4.35Å; L725-F729 WeakPolarHBondContact O-CB 3.38Å; L725-F729 WeakPolarHBondContact O-CD2 3.3Å; L725-F729 PolarHBondContact O-N 3.41Å; E726-F729 PolarHBondContact O-N 3.29Å; F729-S732 PolarHBondContact O-N 3.46Å; F729-D733 PolarHBondContact O-N 3.46Å; F729-L734 HydrophobicContact CB-CB 4.45Å; F729-L734 HydrophobicContact CD1-CB 3.93Å; F729-L734 VanDerWaalsContact CD1-O 3.31Å; F729-L734 WeakPolarHBondContact CD1-O 3.29Å; F729-L734 HydrophobicContact CE1-CB 4.28Å; F729-L734 HydrophobicContact CG-CB 4.07Å; F729-L734 PolarHBondContact O-N 3.04Å; F729-F736 HydrophobicContact CE1-CD1 4.45Å; F729-F736 AromaticContact CE1-CD2 3.63Å; F729-F736 HydrophobicContact CE1-CD2 3.63Å; F729-F736 HydrophobicContact CE1-CE1 4.39Å; F729-F736 AromaticContact CE1-CE2 3.57Å; F729-F736 HydrophobicContact CE1-CE2 3.57Å; F729-F736 HydrophobicContact CE1-CG 4.09Å; F729-F736 AromaticContact CE1-CZ 3.98Å; F729-F736 HydrophobicContact CE1-CZ 3.98Å; F729-F736 HydrophobicContact CE2-CE2 4.45Å; F729-F736 HydrophobicContact CE2-CZ 4.27Å; F729-F736 HydrophobicContact CZ-CD1 4.27Å; F729-F736 AromaticContact CZ-CD2 3.96Å; F729-F736 HydrophobicContact CZ-CD2 3.96Å; F729-F736 AromaticContact CZ-CE1 3.82Å; F729-F736 HydrophobicContact CZ-CE1 3.82Å; F729-F736 AromaticContact CZ-CE2 3.49Å; F729-F736 HydrophobicContact CZ-CE2 3.49Å; F729-F736 VanDerWaalsContact CZ-CE2 3.49Å; F729-F736 HydrophobicContact CZ-CG 4.33Å; F729-F736 AromaticContact CZ-CZ 3.41Å; F729-F736 HydrophobicContact CZ-CZ 3.41Å; F729-F736 VanDerWaalsContact CZ-CZ 3.41Å; F729-L771 HydrophobicContact CB-CD2 3.92Å; F729-L771 HydrophobicContact CD1-CB 4.07Å; F729-L771 HydrophobicContact CD1-CD1 4.32Å; F729-L771 HydrophobicContact CD1-CD2 3.96Å; F729-L771 HydrophobicContact CD1-CG 4.35Å; F729-L771 HydrophobicContact CE1-CB 4.26Å; F729-L771 HydrophobicContact CG-CD1 4.48Å; F729-L771 HydrophobicContact CG-CD2 4.16Å
730I89.1Confident92.4Very high33 Ų3327.4 Ų27.417%0.16915%0.153CC..Hα-helixtrans-63.8-47178.5-69.5162.7000110.7E726 W727 S732 D733 R791 Y794 I804E726-I730 HydrophobicContact CB-CD1 4.44Å; E726-I730 WeakPolarHBondContact O-CB 3.44Å; E726-I730 VanDerWaalsContact O-CD1 3.32Å; E726-I730 WeakPolarHBondContact O-CD1 3.15Å; E726-I730 WeakPolarHBondContact O-CG1 3.47Å; E726-I730 PolarHBondContact O-N 2.69Å; W727-I730 PolarHBondContact O-N 3.46Å; I730-S732 VanDerWaalsContact C-N 3.34Å; I730-S732 PolarHBondContact O-N 2.69Å; I730-D733 PolarHBondContact O-N 2.7Å; I730-R791 HydrophobicContact CG2-CG 4.25Å; I730-R791 PolarHBondContact O-NE 3.31Å; I730-R791 PolarHBondContact O-NH1 3.4Å; I730-R791 PolarHBondContact O-NH2 2.88Å; I730-Y794 HydrophobicContact CD1-CD1 4.02Å; I730-Y794 HydrophobicContact CD1-CD2 3.54Å; I730-Y794 HydrophobicContact CD1-CE1 3.9Å; I730-Y794 HydrophobicContact CD1-CE2 3.39Å; I730-Y794 HydrophobicContact CD1-CG 3.85Å; I730-I804 HydrophobicContact CD1-CD1 4.42Å; I730-I804 HydrophobicContact CD1-CG1 3.95Å; I730-I804 HydrophobicContact CG1-CG1 4.46Å
731T88.2Confident92.2Very high68 Ų6828.2 Ų28.242%0.41716%0.159SC..Hα-helixtrans-58-48177.6-63.90000111.1W727 D733 R791W727-T731 WeakPolarHBondContact O-CB 3.46Å; W727-T731 PolarHBondContact O-N 2.82Å; W727-T731 PolarHBondContact O-OG1 3.36Å; T731-D733 VanDerWaalsContact C-N 3.31Å; T731-D733 PolarHBondContact O-N 3.08Å; T731-R791 PolarHBondContact O-NH1 3.46Å; T731-R791 PolarHBondContact O-NH2 2.62Å
732S88.4Confident92.2Very high45 Ų4528.1 Ų28.132%0.31516%0.159SC..Hα-helixtrans-80.9-2.1-175.7-51.40000115.1S695 S728 F729 I730 L734S695-S732 PolarHBondContact OG-O 2.98Å; S728-S732 VanDerWaalsContact O-CB 3.27Å; S728-S732 WeakPolarHBondContact O-CB 3.47Å; S728-S732 PolarHBondContact O-N 3.19Å; S728-S732 VanDerWaalsContact O-N 3.14Å; S728-S732 PolarHBondContact O-OG 3.22Å; F729-S732 PolarHBondContact O-N 3.46Å; I730-S732 VanDerWaalsContact C-N 3.34Å; I730-S732 PolarHBondContact O-N 2.69Å; S732-L734 VanDerWaalsContact C-N 3.28Å; S732-L734 PolarHBondContact O-N 2.99Å
733D88.6Confident92.3Very high57 Ų5726.9 Ų26.931%0.30515%0.153SC..THydrogen-bonded Turntrans52.941-172.3-136.747.7000113.6S695 A696 F729 I730 T731 R791S695-D733 WeakPolarHBondContact CA-O 2.94Å; A696-D733 WeakPolarHBondContact CB-OD2 3.44Å; A696-D733 PolarHBondContact N-O 2.83Å; F729-D733 PolarHBondContact O-N 3.46Å; I730-D733 PolarHBondContact O-N 2.7Å; T731-D733 VanDerWaalsContact C-N 3.31Å; T731-D733 PolarHBondContact O-N 3.08Å; D733-R791 IonicContact OD1-CZ 3.59Å; D733-R791 IonicContact OD1-NH1 2.85Å; D733-R791 PolarHBondContact OD1-NH1 2.83Å
734L91.9Very high92.6Very high23 Ų2324 Ų2412%0.1214%0.139CC..EExtended strand (participates in β ladder)trans-96.8150-175.7-70.2171.2000113.3L693 R694 Y706 F729 S732L693-L734 HydrophobicContact CB-CD2 4.48Å; R694-L734 CarbonylContact O-C 3.57Å; R694-L734 WeakPolarHBondContact O-CA 3.33Å; Y706-L734 HydrophobicContact CE2-CD1 3.74Å; F729-L734 HydrophobicContact CB-CB 4.45Å; F729-L734 HydrophobicContact CD1-CB 3.93Å; F729-L734 VanDerWaalsContact CD1-O 3.31Å; F729-L734 WeakPolarHBondContact CD1-O 3.29Å; F729-L734 HydrophobicContact CE1-CB 4.28Å; F729-L734 HydrophobicContact CG-CB 4.07Å; F729-L734 PolarHBondContact O-N 3.04Å; S732-L734 VanDerWaalsContact C-N 3.28Å; S732-L734 PolarHBondContact O-N 2.99Å
735K92.1Very high92.8Very high34 Ų3424 Ų2415%0.14814%0.139CC..EExtended strand (participates in β ladder)trans-136.7156.1165.2-62.8-66.7-177.2-176.90110.8L693 R694 D770 L771 E773 E789L693-K735 WeakPolarHBondContact CA-O 3.32Å; R694-K735 PolarHBondContact N-O 2.77Å; R694-K735 PolarHBondContact O-N 3.25Å; K735-D770 PolarHBondContact NZ-O 2.82Å; K735-L771 CarbonylContact C-O 3.53Å; K735-L771 WeakPolarHBondContact CA-O 3.37Å; K735-L771 WeakPolarHBondContact CB-O 3.49Å; K735-L771 VanDerWaalsContact CD-O 3.28Å; K735-L771 WeakPolarHBondContact CD-O 3.39Å; K735-E773 HydrophobicContact CB-CG 3.48Å; K735-E773 VanDerWaalsContact CB-CG 3.48Å; K735-E773 HydrophobicContact CG-CG 4.11Å; K735-E789 WeakPolarHBondContact CE-OE1 3.12Å; K735-E789 WeakPolarHBondContact CE-OE2 3.37Å; K735-E789 IonicContact NZ-OE1 3.28Å; K735-E789 PolarHBondContact NZ-OE1 3.16Å; K735-E789 IonicContact NZ-OE2 3.57Å; K735-E789 PolarHBondContact NZ-OE2 3.19Å
736F94Very high92.8Very high0 Ų024.1 Ų24.10%014%0.14CC..EExtended strand (participates in β ladder)trans-77.3127.8164.8-68.8-72.8000109.6L691 L693 F729 P740 L743 I768 L771 L772 E773L691-F736 HydrophobicContact CD2-CE1 4.19Å; L693-F736 HydrophobicContact CD2-CD1 3.51Å; L693-F736 HydrophobicContact CD2-CE1 3.59Å; L693-F736 HydrophobicContact CD2-CG 4.34Å; L693-F736 HydrophobicContact CD2-CZ 4.48Å; F729-F736 HydrophobicContact CE1-CD1 4.45Å; F729-F736 AromaticContact CE1-CD2 3.63Å; F729-F736 HydrophobicContact CE1-CD2 3.63Å; F729-F736 HydrophobicContact CE1-CE1 4.39Å; F729-F736 AromaticContact CE1-CE2 3.57Å; F729-F736 HydrophobicContact CE1-CE2 3.57Å; F729-F736 HydrophobicContact CE1-CG 4.09Å; F729-F736 AromaticContact CE1-CZ 3.98Å; F729-F736 HydrophobicContact CE1-CZ 3.98Å; F729-F736 HydrophobicContact CE2-CE2 4.45Å; F729-F736 HydrophobicContact CE2-CZ 4.27Å; F729-F736 HydrophobicContact CZ-CD1 4.27Å; F729-F736 AromaticContact CZ-CD2 3.96Å; F729-F736 HydrophobicContact CZ-CD2 3.96Å; F729-F736 AromaticContact CZ-CE1 3.82Å; F729-F736 HydrophobicContact CZ-CE1 3.82Å; F729-F736 AromaticContact CZ-CE2 3.49Å; F729-F736 HydrophobicContact CZ-CE2 3.49Å; F729-F736 VanDerWaalsContact CZ-CE2 3.49Å; F729-F736 HydrophobicContact CZ-CG 4.33Å; F729-F736 AromaticContact CZ-CZ 3.41Å; F729-F736 HydrophobicContact CZ-CZ 3.41Å; F729-F736 VanDerWaalsContact CZ-CZ 3.41Å; F736-P740 HydrophobicContact CD1-CG 4.34Å; F736-P740 HydrophobicContact CE1-CG 4.17Å; F736-L743 HydrophobicContact CE1-CD1 4.3Å; F736-L743 HydrophobicContact CZ-CD1 4.05Å; F736-L743 HydrophobicContact CZ-CD2 4.06Å; F736-I768 HydrophobicContact CD2-CB 4.42Å; F736-I768 HydrophobicContact CE2-CB 4.3Å; F736-I768 HydrophobicContact CE2-CG2 4.07Å; F736-L771 HydrophobicContact CD2-CB 3.83Å; F736-L771 HydrophobicContact CE2-CB 4.1Å; F736-L771 HydrophobicContact CE2-CD1 4.24Å; F736-L771 PolarHBondContact N-O 2.88Å; F736-L772 HydrophobicContact CB-CD2 3.59Å; F736-L772 HydrophobicContact CB-CG 4.2Å; F736-E773 PolarHBondContact O-N 2.9Å
737A91.9Very high92.9Very high27 Ų2723 Ų2322%0.22314%0.135CC..SBendtrans-78-25177.200000112.7K692 V700K692-A737 HydrophobicContact CB-CB 4.27Å; K692-A737 PolarHBondContact O-N 3.04Å; V700-A737 HydrophobicContact CG2-CB 4.05Å
738E90.1Very high92.9Very high95 Ų9522.5 Ų22.544%0.44413%0.133SC..SBendtrans-146.6160171.663.4-174.9-133.500109.1K692 P740K692-E738 HydrophobicContact CB-CG 4.23Å; K692-E738 HydrophobicContact CD-CG 4.36Å; K692-E738 WeakPolarHBondContact CD-OE2 3.39Å; K692-E738 HydrophobicContact CG-CG 4.33Å; K692-E738 IonicContact NZ-OE1 3.66Å; K692-E738 PolarHBondContact NZ-OE1 3.04Å; K692-E738 IonicContact NZ-OE2 2.74Å; K692-E738 PolarHBondContact NZ-OE2 3.18Å; E738-P740 WeakPolarHBondContact O-CD 3.42Å
739A91.6Very high92.4Very high39 Ų3924 Ų2432%0.32214%0.139SC..  trans-74.3118.5178.100000110.6I768 L772 Q848A739-I768 HydrophobicContact CB-CD1 4.5Å; A739-L772 HydrophobicContact CB-CD1 4.37Å; A739-L772 HydrophobicContact CB-CD2 4.18Å; A739-Q848 HydrophobicContact CB-CG 4.02Å
740P94.1Very high91.4Very high4 Ų429.4 Ų29.43%0.02616%0.163CC..  trans-70.1144.1-179.929.4-35.2000111.5L690 L691 F736 E738 L743 I768 M850L690-P740 WeakPolarHBondContact O-CB 3.37Å; L691-P740 HydrophobicContact CD2-CB 3.63Å; L691-P740 HydrophobicContact CD2-CG 4.01Å; F736-P740 HydrophobicContact CD1-CG 4.34Å; F736-P740 HydrophobicContact CE1-CG 4.17Å; E738-P740 WeakPolarHBondContact O-CD 3.42Å; P740-L743 HydrophobicContact CG-CB 4.22Å; P740-I768 HydrophobicContact CG-CD1 4.33Å; P740-M850 HydrophobicContact CG-CE 4.22Å; P740-M850 HydrophobicContact CG-SD 3.94Å; P740-M850 VanDerWaalsContact O-CE 3.25Å; P740-M850 WeakPolarHBondContact O-CE 3.42Å
741S92.5Very high90.4Very high36 Ų3631.1 Ų31.125%0.25219%0.189SC..SBendtrans-76-37.2171.554.60000111.9V607 Q939 S940V607-S741 VanDerWaalsContact CG2-O 3.3Å; V607-S741 WeakPolarHBondContact CG2-O 3.48Å; S741-Q939 CarbonylContact O-C 3.52Å; S741-Q939 WeakPolarHBondContact O-CA 3.29Å; S741-S940 PolarHBondContact O-N 2.9Å
742C96.3Very high89.4Confident0 Ų032.8 Ų32.80%019%0.19CC..EExtended strand (participates in β ladder)trans-128.1131175.5-174.10000109.3V607 L608 L690 Y938V607-C742 HydrophobicContact CG1-CB 3.87Å; V607-C742 HydrophobicContact CG2-CB 3.8Å; L608-C742 HydrophobicContact CD2-CB 4.39Å; L690-C742 HydrophobicContact CD1-CB 4.28Å; L690-C742 HydrophobicContact CD2-CB 4.4Å; C742-Y938 CarbonylContact C-O 3.54Å; C742-Y938 WeakPolarHBondContact CA-O 3.24Å
743L97.7Very high88.3Confident0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-127.6105.6179.6167.959.8000109.4L691 L725 F736 P740 I745 L766 I768 M850 Y938L691-L743 HydrophobicContact CD1-CD1 3.85Å; L691-L743 HydrophobicContact CD2-CB 4.28Å; L691-L743 HydrophobicContact CD2-CD1 3.65Å; L691-L743 HydrophobicContact CG-CD1 4.42Å; L725-L743 HydrophobicContact CD2-CD2 4.3Å; F736-L743 HydrophobicContact CE1-CD1 4.3Å; F736-L743 HydrophobicContact CZ-CD1 4.05Å; F736-L743 HydrophobicContact CZ-CD2 4.06Å; P740-L743 HydrophobicContact CG-CB 4.22Å; L743-I745 HydrophobicContact CD1-CD1 4.37Å; L743-I745 HydrophobicContact CD1-CG1 3.84Å; L743-I745 HydrophobicContact CD2-CD1 4.13Å; L743-I745 HydrophobicContact CD2-CG1 4.45Å; L743-I745 HydrophobicContact CG-CD1 4.06Å; L743-I745 HydrophobicContact CG-CG1 3.86Å; L743-L766 HydrophobicContact CD2-CD1 4.03Å; L743-I768 HydrophobicContact CD2-CG2 4.4Å; L743-M850 HydrophobicContact CB-CE 3.6Å; L743-M850 HydrophobicContact CB-SD 3.72Å; L743-M850 HydrophobicContact CD2-SD 3.8Å; L743-M850 HydrophobicContact CG-SD 4.43Å; L743-Y938 PolarHBondContact N-O 2.84Å; L743-Y938 WeakPolarHBondContact O-CB 3.3Å; L743-Y938 PolarHBondContact O-N 3.12Å
744I98.3Very high87.8Confident0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-97126.8174.6-58.4172.1000107.8L601 L677 F705 Y706 M935 M937L601-I744 HydrophobicContact CD2-CD1 4.13Å; L677-I744 HydrophobicContact CD1-CD1 4.33Å; F705-I744 CarbonylContact C-O 3.52Å; F705-I744 VanDerWaalsContact CA-O 3.28Å; F705-I744 WeakPolarHBondContact CA-O 3.49Å; F705-I744 HydrophobicContact CB-CB 3.76Å; F705-I744 HydrophobicContact CB-CG2 3.75Å; Y706-I744 PolarHBondContact N-O 3.27Å; I744-M935 HydrophobicContact CG2-CB 4.24Å; I744-M935 HydrophobicContact CG2-CG 4.22Å; I744-M935 HydrophobicContact CG2-SD 3.87Å; I744-M937 HydrophobicContact CG1-CG 4.19Å; I744-M937 HydrophobicContact CG2-CG 4.35Å
745I98.1Very high87.4Confident1 Ų141.9 Ų41.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-121.8117.1-177.4-52.5176.2000109.1Y706 I708 L725 L743 M747 L766 M935 C936 Y938Y706-I745 CarbonylContact O-C 3.52Å; Y706-I745 WeakPolarHBondContact O-CA 3.05Å; I708-I745 HydrophobicContact CD1-CG2 3.63Å; I708-I745 HydrophobicContact CG1-CG2 3.61Å; L725-I745 HydrophobicContact CD1-CD1 4.2Å; L725-I745 HydrophobicContact CD2-CD1 4.13Å; L743-I745 HydrophobicContact CD1-CD1 4.37Å; L743-I745 HydrophobicContact CD1-CG1 3.84Å; L743-I745 HydrophobicContact CD2-CD1 4.13Å; L743-I745 HydrophobicContact CD2-CG1 4.45Å; L743-I745 HydrophobicContact CG-CD1 4.06Å; L743-I745 HydrophobicContact CG-CG1 3.86Å; I745-M747 HydrophobicContact CB-CE 4.06Å; I745-M747 HydrophobicContact CG2-CE 3.68Å; I745-M747 VanDerWaalsContact O-CE 3.3Å; I745-M747 WeakPolarHBondContact O-CE 3.38Å; I745-L766 HydrophobicContact CD1-CD1 3.63Å; I745-M935 CarbonylContact O-C 3.36Å; I745-M935 VanDerWaalsContact O-CA 3.29Å; I745-M935 WeakPolarHBondContact O-CA 3.35Å; I745-C936 PolarHBondContact N-O 2.94Å; I745-C936 PolarHBondContact O-N 3.14Å; I745-Y938 HydrophobicContact CD1-CD2 4.05Å; I745-Y938 HydrophobicContact CD1-CE2 4.03Å
746Q96.6Very high87.1Confident3 Ų341 Ų411%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-79.1133.9170.6-68.5157.3-64.400110.3E674 Y706 Q707 I708 Y934 M935E674-Q746 PolarHBondContact OE2-NE2 2.86Å; Y706-Q746 PolarHBondContact O-N 2.71Å; Q707-Q746 HydrophobicContact CB-CB 4.5Å; Q707-Q746 PolarHBondContact NE2-O 2.95Å; I708-Q746 VanDerWaalsContact CG1-O 3.32Å; I708-Q746 WeakPolarHBondContact CG1-O 3.37Å; I708-Q746 PolarHBondContact N-O 3.31Å; I708-Q746 VanDerWaalsContact N-O 3.17Å; Q746-Y934 CarbonylContact C-O 3.51Å; Q746-Y934 WeakPolarHBondContact CA-O 3.47Å; Q746-Y934 PolarHBondContact NE2-OH 3.04Å; Q746-M935 HydrophobicContact CG-CE 3.53Å; Q746-M935 HydrophobicContact CG-CG 3.78Å; Q746-M935 HydrophobicContact CG-SD 4.45Å
747M94.8Very high86.8Confident1 Ų141.5 Ų41.51%0.00523%0.227CC..  trans-73.1155.4179.8-64.4-58.499.800111.7Q707 L724 I745 R749 I760 A933 Y934 C936Q707-M747 PolarHBondContact NE2-O 2.82Å; L724-M747 HydrophobicContact CD1-SD 4.24Å; I745-M747 HydrophobicContact CB-CE 4.06Å; I745-M747 HydrophobicContact CG2-CE 3.68Å; I745-M747 VanDerWaalsContact O-CE 3.3Å; I745-M747 WeakPolarHBondContact O-CE 3.38Å; M747-R749 PolarHBondContact O-N 3.38Å; M747-I760 HydrophobicContact CB-CD1 3.98Å; M747-I760 HydrophobicContact CG-CD1 4.09Å; M747-I760 HydrophobicContact SD-CD1 3.9Å; M747-I760 HydrophobicContact SD-CG2 4Å; M747-A933 HydrophobicContact CG-CB 4.09Å; M747-Y934 PolarHBondContact N-O 3.07Å; M747-C936 HydrophobicContact CE-CB 4.07Å
748P90.9Very high86.7Confident4 Ų446.2 Ų46.23%0.02625%0.248CC..SBendtrans-72.892.2-18029-34.2000111.9I708 L724 M756 F757 I760I708-P748 HydrophobicContact CB-CB 4.42Å; I708-P748 HydrophobicContact CG2-CB 4.05Å; I708-P748 HydrophobicContact CG2-CG 4.04Å; L724-P748 HydrophobicContact CD1-CG 4.41Å; L724-P748 HydrophobicContact CD2-CG 4.4Å; P748-M756 HydrophobicContact CB-CB 4.02Å; P748-M756 HydrophobicContact CB-CE 4.21Å; P748-M756 HydrophobicContact CB-SD 3.96Å; P748-M756 HydrophobicContact CG-CB 4.19Å; P748-M756 HydrophobicContact CG-SD 4.3Å; P748-M756 VanDerWaalsContact O-CB 3.28Å; P748-M756 WeakPolarHBondContact O-CB 3.2Å; P748-M756 PolarHBondContact O-N 3.4Å; P748-M756 VanDerWaalsContact O-N 3.15Å; P748-F757 HydrophobicContact CG-CD2 4.05Å; P748-F757 HydrophobicContact CG-CE2 4.09Å; P748-I760 HydrophobicContact CG-CD1 4.44Å
749R83.1Confident86.8Confident31 Ų3142.3 Ų42.312%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-126.2158.4173.6-64-169.6-179.1-146.67.3110.8M747 F754 I858 D932 A933M747-R749 PolarHBondContact O-N 3.38Å; R749-F754 WeakPolarHBondContact CA-O 3.35Å; R749-I858 VanDerWaalsContact CZ-O 3.31Å; R749-I858 PolarHBondContact NH1-O 3.31Å; R749-I858 PolarHBondContact NH2-O 3.04Å; R749-D932 VanDerWaalsContact NH2-CA 3.31Å; R749-D932 PolarHBondContact NH2-O 3.09Å; R749-A933 PolarHBondContact NE-O 3.01Å; R749-A933 VanDerWaalsContact NE-O 3.16Å; R749-A933 PolarHBondContact NH2-O 3.38Å
750F71.8Confident87Confident116 Ų11641 Ų4151%0.50922%0.217SC..EExtended strand (participates in β ladder)trans-137.9107.2174.8-67.3-90.6000109.4F754 M756F750-F754 HydrophobicContact CB-CB 4.31Å; F750-F754 HydrophobicContact CB-CD1 4.01Å; F750-F754 AromaticContact CD2-CD1 3.76Å; F750-F754 HydrophobicContact CD2-CD1 3.76Å; F750-F754 AromaticContact CD2-CE1 3.89Å; F750-F754 HydrophobicContact CD2-CE1 3.89Å; F750-F754 HydrophobicContact CG-CD1 4.34Å; F750-F754 PolarHBondContact N-O 3.35Å; F750-F754 WeakPolarHBondContact O-CB 3.43Å; F750-M756 HydrophobicContact CE2-CE 4.11Å
751G66.9Low87.2Confident70 Ų7042 Ų4272%0.72222%0.221SC*.THydrogen-bonded Turntrans68.2-159.8-172.100000112.9
752K67Low87.4Confident103 Ų10340.4 Ų40.445%0.44821%0.21SC..THydrogen-bonded Turntrans-80.6-37.9-178.1-65.2-166.9168.5-154.30112.3E670 T860E670-K752 IonicContact OE2-NZ 2.67Å; E670-K752 PolarHBondContact OE2-NZ 3.4Å; K752-T860 WeakPolarHBondContact CD-O 3.05Å
753D66.6Low87.4Confident150 Ų15041 Ų4180%0.80221%0.214SC*.THydrogen-bonded Turntrans-95-29.2-164.4-43.4-78000113.6
754F76.9Confident87.3Confident112 Ų11243.4 Ų43.449%0.49123%0.227SC..EExtended strand (participates in β ladder)trans-93109.8-177.9-172.7-84.9000112.9R749 F750 M756R749-F754 WeakPolarHBondContact CA-O 3.35Å; F750-F754 HydrophobicContact CB-CB 4.31Å; F750-F754 HydrophobicContact CB-CD1 4.01Å; F750-F754 AromaticContact CD2-CD1 3.76Å; F750-F754 HydrophobicContact CD2-CD1 3.76Å; F750-F754 AromaticContact CD2-CE1 3.89Å; F750-F754 HydrophobicContact CD2-CE1 3.89Å; F750-F754 HydrophobicContact CG-CD1 4.34Å; F750-F754 PolarHBondContact N-O 3.35Å; F750-F754 WeakPolarHBondContact O-CB 3.43Å; F754-M756 HydrophobicContact CE1-CB 4.19Å
755K83.9Confident87.2Confident54 Ų5448.5 Ų48.524%0.23525%0.251CS..EExtended strand (participates in β ladder)trans-102.2126.9165.2-59.7174.2-179.21800108.7F757 C931 D932K755-F757 PolarHBondContact O-N 2.87Å; K755-C931 WeakPolarHBondContact CE-O 3.27Å; K755-C931 PolarHBondContact NZ-O 3.46Å; K755-D932 IonicContact NZ-OD1 2.62Å; K755-D932 PolarHBondContact NZ-OD1 3.09Å
756M85.1Confident87.1Confident14 Ų1448.5 Ų48.57%0.06925%0.251CS..SBendtrans-63.9-30.6-179.5-175.7179.1-75.600112.9M710 K712 P748 F750 F754M710-M756 HydrophobicContact CG-CE 4.38Å; M710-M756 HydrophobicContact CG-SD 3.88Å; M710-M756 WeakPolarHBondContact O-CE 3.22Å; M710-M756 HydrophobicContact SD-SD 4.34Å; K712-M756 HydrophobicContact CB-CG 4.18Å; K712-M756 HydrophobicContact CB-SD 4.26Å; K712-M756 HydrophobicContact CD-CG 4.31Å; K712-M756 WeakPolarHBondContact CE-O 3.2Å; K712-M756 HydrophobicContact CG-CG 4.19Å; K712-M756 PolarHBondContact NZ-O 3.5Å; P748-M756 HydrophobicContact CB-CB 4.02Å; P748-M756 HydrophobicContact CB-CE 4.21Å; P748-M756 HydrophobicContact CB-SD 3.96Å; P748-M756 HydrophobicContact CG-CB 4.19Å; P748-M756 HydrophobicContact CG-SD 4.3Å; P748-M756 VanDerWaalsContact O-CB 3.28Å; P748-M756 WeakPolarHBondContact O-CB 3.2Å; P748-M756 PolarHBondContact O-N 3.4Å; P748-M756 VanDerWaalsContact O-N 3.15Å; F750-M756 HydrophobicContact CE2-CE 4.11Å; F754-M756 HydrophobicContact CE1-CB 4.19Å
757F88.6Confident87Confident11 Ų1149.8 Ų49.85%0.04826%0.258CS..SBendtrans-133.2137.5178.8-56.4-84.6000110.1M710 K712 P719 L724 P748 K755 K759 I760M710-F757 HydrophobicContact SD-CE2 4.32Å; M710-F757 HydrophobicContact SD-CZ 4.34Å; K712-F757 HydrophobicContact CG-CE1 4.34Å; K712-F757 HydrophobicContact CG-CZ 4.48Å; P719-F757 HydrophobicContact CG-CB 4.29Å; P719-F757 HydrophobicContact CG-CD1 3.72Å; P719-F757 HydrophobicContact CG-CD2 3.74Å; P719-F757 HydrophobicContact CG-CE1 3.89Å; P719-F757 HydrophobicContact CG-CE2 3.91Å; P719-F757 HydrophobicContact CG-CG 3.64Å; P719-F757 HydrophobicContact CG-CZ 3.98Å; L724-F757 HydrophobicContact CD2-CD2 4.37Å; L724-F757 HydrophobicContact CD2-CE2 3.74Å; L724-F757 HydrophobicContact CD2-CZ 4.32Å; P748-F757 HydrophobicContact CG-CD2 4.05Å; P748-F757 HydrophobicContact CG-CE2 4.09Å; K755-F757 PolarHBondContact O-N 2.87Å; F757-K759 VanDerWaalsContact C-N 3.31Å; F757-K759 PolarHBondContact O-N 3.37Å; F757-I760 HydrophobicContact CB-CG1 4.11Å
758N89Confident87Confident127 Ų12749.8 Ų49.868%0.67926%0.257SS*.SBendtrans-72.3-25.1-176.8-64.77.6000113.1
759K93.9Very high87Confident12 Ų1249.7 Ų49.75%0.05226%0.257CS..  trans-136.8148.2166.4-42.3-171.3-172.380.90109V718 F757 L914 H915 L917 I922 L930V718-K759 HydrophobicContact CG1-CB 4.16Å; V718-K759 HydrophobicContact CG2-CB 3.97Å; V718-K759 HydrophobicContact CG2-CD 4.45Å; V718-K759 HydrophobicContact CG2-CG 4.43Å; F757-K759 VanDerWaalsContact C-N 3.31Å; F757-K759 PolarHBondContact O-N 3.37Å; K759-L914 WeakPolarHBondContact CD-O 3.35Å; K759-L914 WeakPolarHBondContact CE-O 3.45Å; K759-L914 PolarHBondContact NZ-O 3.27Å; K759-H915 PolarHBondContact NZ-O 2.93Å; K759-L917 VanDerWaalsContact CE-O 3.29Å; K759-L917 WeakPolarHBondContact CE-O 3.48Å; K759-L917 PolarHBondContact NZ-O 3.15Å; K759-I922 HydrophobicContact CD-CD1 4.28Å; K759-L930 CarbonylContact C-O 3.57Å; K759-L930 VanDerWaalsContact CA-O 3.26Å; K759-L930 WeakPolarHBondContact CA-O 3.46Å
760I95.3Very high87.4Confident13 Ų1348.6 Ų48.67%0.06725%0.253CS..  trans-125.8138.9169.1-62.8173.8000107.4L724 M747 P748 F757 P762 L930L724-I760 HydrophobicContact CD1-CD1 4.06Å; L724-I760 HydrophobicContact CD1-CG1 4.37Å; L724-I760 HydrophobicContact CD1-CG2 3.71Å; M747-I760 HydrophobicContact CB-CD1 3.98Å; M747-I760 HydrophobicContact CG-CD1 4.09Å; M747-I760 HydrophobicContact SD-CD1 3.9Å; M747-I760 HydrophobicContact SD-CG2 4Å; P748-I760 HydrophobicContact CG-CD1 4.44Å; F757-I760 HydrophobicContact CB-CG1 4.11Å; I760-P762 VanDerWaalsContact O-CD 3.32Å; I760-P762 WeakPolarHBondContact O-CD 3.5Å; I760-L930 PolarHBondContact N-O 3.14Å
761F97.1Very high88.4Confident25 Ų2543.2 Ų43.211%0.1123%0.23CC..BIsolated β-bridgetrans-91.7110.3175-174.5-84.4000110.1V718 P719 T720 S721 S763 L907 P911 L914V718-F761 HydrophobicContact CG1-CB 4.25Å; P719-F761 PolarHBondContact O-N 2.89Å; T720-F761 CarbonylContact C-O 3.57Å; T720-F761 VanDerWaalsContact CA-O 3.3Å; T720-F761 WeakPolarHBondContact CA-O 3.24Å; T720-F761 HydrophobicContact CG2-CB 4.12Å; T720-F761 HydrophobicContact CG2-CD1 3.95Å; T720-F761 HydrophobicContact CG2-CG 4.3Å; S721-F761 PolarHBondContact N-O 3.41Å; F761-S763 PolarHBondContact O-N 2.98Å; F761-S763 VanDerWaalsContact O-N 3.13Å; F761-L907 HydrophobicContact CE2-CD2 4.17Å; F761-L907 HydrophobicContact CZ-CD2 4.37Å; F761-L907 WeakPolarHBondContact CZ-O 3.4Å; F761-P911 HydrophobicContact CG-CG 4.46Å; F761-L914 HydrophobicContact CD2-CD1 3.5Å; F761-L914 VanDerWaalsContact CD2-CD1 3.5Å; F761-L914 HydrophobicContact CE2-CD1 3.82Å
762P97.3Very high89.5Confident1 Ų140.2 Ų40.21%0.00620%0.197CC..  trans-75.1104.8176.331.5-33.2000109.2I760 L764 L852 V855 L907 L929I760-P762 VanDerWaalsContact O-CD 3.32Å; I760-P762 WeakPolarHBondContact O-CD 3.5Å; P762-L764 PolarHBondContact O-N 3.23Å; P762-L852 HydrophobicContact CB-CD2 3.88Å; P762-V855 HydrophobicContact CB-CG2 4.13Å; P762-L907 HydrophobicContact CG-CD2 3.9Å; P762-L929 HydrophobicContact CG-CD1 4.32Å; P762-L929 HydrophobicContact CG-CD2 4.49Å; P762-L929 HydrophobicContact CG-CG 4.25Å
763S97.1Very high90.4Very high13 Ų1336.7 Ų36.79%0.09118%0.182CC..  trans-58125177.2-60.50000110.2S721 Q722 F761 E765 Y938S721-S763 WeakPolarHBondContact OG-CB 3.35Å; S721-S763 PolarHBondContact OG-N 3.07Å; S721-S763 PolarHBondContact OG-OG 2.99Å; Q722-S763 PolarHBondContact N-OG 2.84Å; F761-S763 PolarHBondContact O-N 2.98Å; F761-S763 VanDerWaalsContact O-N 3.13Å; S763-E765 VanDerWaalsContact CB-O 3.31Å; S763-E765 WeakPolarHBondContact CB-O 3.28Å; S763-E765 PolarHBondContact O-N 2.69Å; S763-Y938 WeakPolarHBondContact O-CE1 3.4Å; S763-Y938 PolarHBondContact O-OH 3.17Å
764L95.8Very high91Very high51 Ų5134 Ų3427%0.26717%0.168SC..SBendtrans-62.6-30.4178.4-69.5175.5000112.9P762 L852 W876 L907P762-L764 PolarHBondContact O-N 3.23Å; L764-L852 HydrophobicContact CD2-CD2 4.42Å; L764-L852 WeakPolarHBondContact O-CB 3.29Å; L764-L852 PolarHBondContact O-N 2.96Å; L764-W876 HydrophobicContact CD2-CZ2 3.81Å; L764-L907 HydrophobicContact CD2-CD1 3.79Å; L764-L907 HydrophobicContact CG-CD1 4.45Å
765E95.8Very high91.3Very high107 Ų10730.1 Ų30.150%0.515%0.153SC..EExtended strand (participates in β ladder)trans-125.5143.1168.1-64.6-176.7176.700109.9S763 R849 M850S763-E765 VanDerWaalsContact CB-O 3.31Å; S763-E765 WeakPolarHBondContact CB-O 3.28Å; S763-E765 PolarHBondContact O-N 2.69Å; E765-R849 IonicContact OE1-NH1 3.63Å; E765-R849 WeakPolarHBondContact OE2-CD 3.43Å; E765-R849 IonicContact OE2-CZ 3.23Å; E765-R849 IonicContact OE2-NE 2.9Å; E765-R849 IonicContact OE2-NH1 2.72Å; E765-R849 PolarHBondContact OE2-NH1 2.69Å; E765-M850 CarbonylContact C-O 3.5Å; E765-M850 VanDerWaalsContact CA-O 3.31Å; E765-M850 WeakPolarHBondContact CA-O 3.45Å
766L96.2Very high91.3Very high1 Ų128.4 Ų28.41%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-104.2147.3161.8-72176.8000110.6Q722 L725 L743 I745 R849 M850 Y938Q722-L766 VanDerWaalsContact CA-CD2 3.5Å; Q722-L766 HydrophobicContact CB-CD2 3.8Å; Q722-L766 VanDerWaalsContact OE1-CD2 3.27Å; L725-L766 HydrophobicContact CD2-CD1 4.08Å; L743-L766 HydrophobicContact CD2-CD1 4.03Å; I745-L766 HydrophobicContact CD1-CD1 3.63Å; L766-R849 CarbonylContact O-C 3.54Å; L766-R849 WeakPolarHBondContact O-CA 3.31Å; L766-M850 PolarHBondContact N-O 2.75Å; L766-M850 PolarHBondContact O-N 3.07Å; L766-Y938 HydrophobicContact CB-CD1 4.33Å; L766-Y938 HydrophobicContact CB-CE1 4.34Å; L766-Y938 HydrophobicContact CD1-CD1 3.78Å; L766-Y938 HydrophobicContact CD1-CD2 3.51Å; L766-Y938 HydrophobicContact CD1-CE1 3.77Å; L766-Y938 HydrophobicContact CD1-CE2 3.48Å; L766-Y938 VanDerWaalsContact CD1-CE2 3.48Å; L766-Y938 HydrophobicContact CD1-CG 3.66Å; L766-Y938 HydrophobicContact CG-CD1 3.83Å; L766-Y938 HydrophobicContact CG-CD2 4.36Å; L766-Y938 HydrophobicContact CG-CE1 3.51Å; L766-Y938 HydrophobicContact CG-CE2 4.06Å; L766-Y938 HydrophobicContact CG-CG 4.25Å
767D94Very high91.5Very high30 Ų3027.9 Ų27.916%0.1615%0.145CC..EExtended strand (participates in β ladder)trans-116.9103.8173.8166.934000109.1Q722 T769 R847Q722-D767 PolarHBondContact NE2-O 3.46Å; D767-T769 VanDerWaalsContact OD1-CB 3.3Å; D767-T769 WeakPolarHBondContact OD1-CB 3.45Å; D767-T769 PolarHBondContact OD1-N 2.78Å; D767-T769 PolarHBondContact OD1-OG1 2.8Å; D767-R847 IonicContact OD1-CZ 2.69Å; D767-R847 IonicContact OD1-NH1 2.75Å; D767-R847 PolarHBondContact OD1-NH1 2.69Å; D767-R847 IonicContact OD1-NH2 3.62Å; D767-R847 PolarHBondContact OD1-NH2 3.34Å; D767-R847 IonicContact OD2-CZ 2.8Å; D767-R847 IonicContact OD2-NH1 3.14Å; D767-R847 PolarHBondContact OD2-NH1 2.75Å; D767-R847 IonicContact OD2-NH2 3.4Å; D767-R847 PolarHBondContact OD2-NH2 3.18Å
768I94.3Very high91.6Very high0 Ų031.1 Ų31.10%016%0.16CC..  trans-97.94.6-175.862.8165.8000112.9L725 F736 A739 P740 L743 D770 L771 L772 Q848 M850L725-I768 HydrophobicContact CD2-CG2 4.42Å; F736-I768 HydrophobicContact CD2-CB 4.42Å; F736-I768 HydrophobicContact CE2-CB 4.3Å; F736-I768 HydrophobicContact CE2-CG2 4.07Å; A739-I768 HydrophobicContact CB-CD1 4.5Å; P740-I768 HydrophobicContact CG-CD1 4.33Å; L743-I768 HydrophobicContact CD2-CG2 4.4Å; I768-D770 VanDerWaalsContact C-N 3.26Å; I768-D770 PolarHBondContact O-N 2.98Å; I768-L771 WeakPolarHBondContact O-CA 3.42Å; I768-L771 PolarHBondContact O-N 2.91Å; I768-L772 HydrophobicContact CD1-CD1 4.13Å; I768-L772 HydrophobicContact CG1-CD1 4.04Å; I768-L772 PolarHBondContact O-N 2.81Å; I768-L772 VanDerWaalsContact O-N 3.12Å; I768-Q848 HydrophobicContact CD1-CG 3.8Å; I768-Q848 HydrophobicContact CG1-CB 4.04Å; I768-Q848 HydrophobicContact CG1-CG 3.7Å; I768-Q848 WeakPolarHBondContact CG1-O 3.18Å; I768-Q848 PolarHBondContact N-O 3.33Å; I768-M850 HydrophobicContact CD1-CG 4.34Å; I768-M850 HydrophobicContact CD1-SD 3.99Å
769T91.8Very high91.7Very high3 Ų325.1 Ų25.12%0.01813%0.128CC..THydrogen-bonded Turntrans-52.3-41.6-178.2-46.70000112.8D767 L771 T775 R777 R847 Q848D767-T769 VanDerWaalsContact OD1-CB 3.3Å; D767-T769 WeakPolarHBondContact OD1-CB 3.45Å; D767-T769 PolarHBondContact OD1-N 2.78Å; D767-T769 PolarHBondContact OD1-OG1 2.8Å; T769-L771 VanDerWaalsContact C-N 3.34Å; T769-T775 HydrophobicContact CG2-CG2 3.88Å; T769-R777 PolarHBondContact O-NE 2.93Å; T769-R847 WeakPolarHBondContact OG1-CA 3.33Å; T769-Q848 PolarHBondContact OG1-N 3.29Å
770D90.7Very high91.5Very high8 Ų827.1 Ų27.14%0.04314%0.135CC..THydrogen-bonded Turntrans-84.6-9.7-178.7-70.17.8000113.3K735 I768 R777 R780 I804 Q806K735-D770 PolarHBondContact NZ-O 2.82Å; I768-D770 VanDerWaalsContact C-N 3.26Å; I768-D770 PolarHBondContact O-N 2.98Å; D770-R777 PolarHBondContact O-NH1 2.72Å; D770-R777 PolarHBondContact O-NH2 2.9Å; D770-R780 IonicContact OD2-CZ 3.64Å; D770-R780 IonicContact OD2-NH2 3.63Å; D770-R780 PolarHBondContact OD2-NH2 2.76Å; D770-I804 HydrophobicContact CB-CB 4.03Å; D770-I804 HydrophobicContact CB-CD1 3.8Å; D770-I804 HydrophobicContact CB-CG1 4.46Å; D770-I804 HydrophobicContact CB-CG2 4.16Å; D770-Q806 PolarHBondContact OD1-NE2 3.32Å; D770-Q806 PolarHBondContact OD2-NE2 3.37Å; D770-Q806 VanDerWaalsContact OD2-NE2 3.08Å
771L92.7Very high91.3Very high2 Ų230.9 Ų30.91%0.0116%0.155CC..THydrogen-bonded Turntrans-97.9-11.6178.6-57.7-178.9000112.8L725 E726 F729 K735 F736 I768 T769 I804L725-L771 HydrophobicContact CD2-CD1 3.71Å; L725-L771 HydrophobicContact CG-CD1 3.78Å; E726-L771 HydrophobicContact CG-CD2 4.49Å; F729-L771 HydrophobicContact CB-CD2 3.92Å; F729-L771 HydrophobicContact CD1-CB 4.07Å; F729-L771 HydrophobicContact CD1-CD1 4.32Å; F729-L771 HydrophobicContact CD1-CD2 3.96Å; F729-L771 HydrophobicContact CD1-CG 4.35Å; F729-L771 HydrophobicContact CE1-CB 4.26Å; F729-L771 HydrophobicContact CG-CD1 4.48Å; F729-L771 HydrophobicContact CG-CD2 4.16Å; K735-L771 CarbonylContact C-O 3.53Å; K735-L771 WeakPolarHBondContact CA-O 3.37Å; K735-L771 WeakPolarHBondContact CB-O 3.49Å; K735-L771 VanDerWaalsContact CD-O 3.28Å; K735-L771 WeakPolarHBondContact CD-O 3.39Å; F736-L771 HydrophobicContact CD2-CB 3.83Å; F736-L771 HydrophobicContact CE2-CB 4.1Å; F736-L771 HydrophobicContact CE2-CD1 4.24Å; F736-L771 PolarHBondContact N-O 2.88Å; I768-L771 WeakPolarHBondContact O-CA 3.42Å; I768-L771 PolarHBondContact O-N 2.91Å; T769-L771 VanDerWaalsContact C-N 3.34Å; L771-I804 HydrophobicContact CD2-CD1 3.58Å
772L91Very high91Very high7 Ų732.9 Ų32.94%0.03717%0.171CC..BIsolated β-bridgetrans-82.8148174.6-74.1154.9000111.8F736 A739 I768 T775 R777 Q848F736-L772 HydrophobicContact CB-CD2 3.59Å; F736-L772 HydrophobicContact CB-CG 4.2Å; A739-L772 HydrophobicContact CB-CD1 4.37Å; A739-L772 HydrophobicContact CB-CD2 4.18Å; I768-L772 HydrophobicContact CD1-CD1 4.13Å; I768-L772 HydrophobicContact CG1-CD1 4.04Å; I768-L772 PolarHBondContact O-N 2.81Å; I768-L772 VanDerWaalsContact O-N 3.12Å; L772-T775 WeakPolarHBondContact CB-OG1 3.34Å; L772-R777 PolarHBondContact O-NH2 2.88Å; L772-Q848 HydrophobicContact CD1-CB 3.91Å; L772-Q848 HydrophobicContact CD1-CG 4.09Å
773E84.6Confident90.6Very high29 Ų2935.8 Ų35.814%0.13620%0.195CC..SBendtrans-69-75.5173.8-67.9-173126.100111.6R694 K735 F736 T775R694-E773 WeakPolarHBondContact CD-OE1 3.42Å; R694-E773 IonicContact CZ-OE1 2.62Å; R694-E773 IonicContact CZ-OE2 3.28Å; R694-E773 IonicContact NE-OE1 3.67Å; R694-E773 IonicContact NE-OE2 2.72Å; R694-E773 IonicContact NH1-OE1 2.77Å; R694-E773 PolarHBondContact NH1-OE1 2.89Å; R694-E773 IonicContact NH1-OE2 2.73Å; R694-E773 PolarHBondContact NH1-OE2 3.36Å; R694-E773 IonicContact NH2-OE2 3.16Å; R694-E773 PolarHBondContact NH2-OE2 2.85Å; R694-E773 VanDerWaalsContact NH2-OE2 3.13Å; K735-E773 HydrophobicContact CB-CG 3.48Å; K735-E773 VanDerWaalsContact CB-CG 3.48Å; K735-E773 HydrophobicContact CG-CG 4.11Å; F736-E773 PolarHBondContact O-N 2.9Å; E773-T775 PolarHBondContact O-N 3.42Å
774D79.3Confident90.2Very high94 Ų9436.4 Ų36.450%0.50320%0.204SC..SBendtrans-85.127.7-166-64.8-26.3000114.6S830D774-S830 WeakPolarHBondContact OD1-CB 3.35Å; D774-S830 PolarHBondContact OD1-OG 3.39Å
775T83.2Confident89.9Confident30 Ų3035.8 Ų35.818%0.18420%0.201CC..  trans-97.8133.9-175.5-62.40000112.1T769 L772 E773 R777T769-T775 HydrophobicContact CG2-CG2 3.88Å; L772-T775 WeakPolarHBondContact CB-OG1 3.34Å; E773-T775 PolarHBondContact O-N 3.42Å; T775-R777 VanDerWaalsContact O-CG 3.27Å; T775-R777 WeakPolarHBondContact O-CG 3.1Å; T775-R777 PolarHBondContact O-N 3.49Å
776P85.3Confident89.7Confident18 Ų1830.7 Ų30.712%0.11718%0.177CC..  trans-66.1119.4177.3-19.533.1000111.6L785 L835 F845P776-L785 HydrophobicContact CB-CD1 4.42Å; P776-L835 HydrophobicContact CB-CD1 3.86Å; P776-L835 HydrophobicContact CG-CD1 3.26Å; P776-F845 HydrophobicContact CB-CD1 3.92Å; P776-F845 HydrophobicContact CB-CE1 4.49Å
777R88.8Confident89.5Confident3 Ų333.2 Ų33.21%0.01119%0.19CC..  trans-111.4154.5-176.5-50-165.5-162.3147.813.6113.4T769 D770 L772 T775 A786 E789 Q806T769-R777 PolarHBondContact O-NE 2.93Å; D770-R777 PolarHBondContact O-NH1 2.72Å; D770-R777 PolarHBondContact O-NH2 2.9Å; L772-R777 PolarHBondContact O-NH2 2.88Å; T775-R777 VanDerWaalsContact O-CG 3.27Å; T775-R777 WeakPolarHBondContact O-CG 3.1Å; T775-R777 PolarHBondContact O-N 3.49Å; R777-A786 HydrophobicContact CB-CB 4.3Å; R777-A786 WeakPolarHBondContact O-CB 3.41Å; R777-A786 PolarHBondContact O-N 2.97Å; R777-E789 IonicContact CZ-OE2 3.69Å; R777-E789 IonicContact NH1-OE1 3.85Å; R777-E789 IonicContact NH1-OE2 2.75Å; R777-E789 PolarHBondContact NH1-OE2 2.96Å; R777-E789 IonicContact NH2-OE1 3.07Å; R777-E789 IonicContact NH2-OE2 3.35Å; R777-Q806 HydrophobicContact CB-CG 4.21Å; R777-Q806 VanDerWaalsContact NH1-OE1 3.11Å
778E89.8Confident89.4Confident79 Ų7932.9 Ų32.937%0.36919%0.186SC..BIsolated β-bridgetrans-89.2132.6179.7-167.1-175.5163.800112.2R780 A783 Q806 F845E778-R780 PolarHBondContact O-N 2.92Å; E778-A783 HydrophobicContact CG-CB 4.45Å; E778-A783 WeakPolarHBondContact OE1-CA 3.4Å; E778-A783 VanDerWaalsContact OE1-CB 3.29Å; E778-A783 WeakPolarHBondContact OE1-CB 3.41Å; E778-Q806 VanDerWaalsContact O-CG 3.23Å; E778-Q806 WeakPolarHBondContact O-CG 3.41Å; E778-Q806 PolarHBondContact O-NE2 2.85Å; E778-F845 HydrophobicContact CB-CD2 3.87Å; E778-F845 HydrophobicContact CB-CE2 4.36Å; E778-F845 HydrophobicContact CG-CD2 4.1Å; E778-F845 HydrophobicContact CG-CE2 4.3Å
779C91.1Very high89.3Confident1 Ų134.6 Ų34.61%0.00720%0.195CC..  trans-67.9118.4174.5173.50000111I781 C782 A783 G784 Q806 C808C779-I781 PolarHBondContact O-N 3.25Å; C779-C782 PolarHBondContact O-N 3.34Å; C779-C782 VanDerWaalsContact SG-SG 3.61Å; C779-A783 PolarHBondContact O-N 3.41Å; C779-A783 VanDerWaalsContact O-N 3.12Å; C779-G784 WeakPolarHBondContact CB-O 3.47Å; C779-G784 PolarHBondContact N-O 3.06Å; C779-Q806 WeakPolarHBondContact CA-O 3.29Å; C779-C808 HydrophobicContact CB-CB 4.15Å; C779-C808 PolarHBondContact SG-N 2.89Å
780R90.8Very high89.2Confident54 Ų5434.7 Ų34.720%0.20420%0.195CC..THydrogen-bonded Turntrans-60.1-6.9-176.9-64.3-63.5-175.5-162.43.1115.8D770 E778 I804 Q806 F807D770-R780 IonicContact OD2-CZ 3.64Å; D770-R780 IonicContact OD2-NH2 3.63Å; D770-R780 PolarHBondContact OD2-NH2 2.76Å; E778-R780 PolarHBondContact O-N 2.92Å; R780-I804 PolarHBondContact NE-O 3.45Å; R780-Q806 PolarHBondContact N-O 3.14Å; R780-F807 HydrophobicContact CB-CE1 4.47Å
781I91.1Very high89.1Confident93 Ų9339.5 Ų39.548%0.47721%0.213SC..THydrogen-bonded Turntrans-109.8-36.4-179.5-55-61.7000113C779 I799 F807 C811 V815C779-I781 PolarHBondContact O-N 3.25Å; I781-I799 HydrophobicContact CD1-CG2 3.88Å; I781-F807 HydrophobicContact CD1-CE1 4.34Å; I781-F807 HydrophobicContact CG1-CD1 3.93Å; I781-F807 HydrophobicContact CG1-CE1 3.94Å; I781-C811 HydrophobicContact CB-CB 4.04Å; I781-C811 HydrophobicContact CG1-CB 4.19Å; I781-C811 HydrophobicContact CG2-CB 4.41Å; I781-V815 HydrophobicContact CD1-CG2 4.46Å; I781-V815 HydrophobicContact CG1-CG2 4.31Å
782C90.9Very high88.9Confident66 Ų6642.7 Ų42.745%0.44623%0.23SC..THydrogen-bonded Turntrans-133.810.4-165.781.70000115.4C779 G784C779-C782 PolarHBondContact O-N 3.34Å; C779-C782 VanDerWaalsContact SG-SG 3.61Å; C782-G784 PolarHBondContact O-N 3.21Å
783A88.8Confident88.8Confident62 Ų6242.4 Ų42.451%0.51223%0.228SC..SBendtrans55.89.3-177.500000116.1E778 C779E778-A783 HydrophobicContact CG-CB 4.45Å; E778-A783 WeakPolarHBondContact OE1-CA 3.4Å; E778-A783 VanDerWaalsContact OE1-CB 3.29Å; E778-A783 WeakPolarHBondContact OE1-CB 3.41Å; C779-A783 PolarHBondContact O-N 3.41Å; C779-A783 VanDerWaalsContact O-N 3.12Å
784G88.3Confident88.9Confident26 Ų2641.9 Ų41.927%0.26823%0.225SC..SBendtrans-87.4175.9177.200000112.6C779 C782 A786C779-G784 WeakPolarHBondContact CB-O 3.47Å; C779-G784 PolarHBondContact N-O 3.06Å; C782-G784 PolarHBondContact O-N 3.21Å; G784-A786 PolarHBondContact O-N 2.84Å
785L89.9Confident88.9Confident39 Ų3945.7 Ų45.720%0.20424%0.24CC..BIsolated β-bridgetrans-58.9124.6175.9177.363.3000111.3P776 L787 C808 V831 F845P776-L785 HydrophobicContact CB-CD1 4.42Å; L785-L787 HydrophobicContact CD2-CD2 4Å; L785-L787 HydrophobicContact CG-CD2 4.11Å; L785-C808 WeakPolarHBondContact O-CA 3.46Å; L785-C808 WeakPolarHBondContact O-CB 3.34Å; L785-V831 HydrophobicContact CD1-CG1 4.05Å; L785-V831 HydrophobicContact CD2-CG1 4.19Å; L785-F845 HydrophobicContact CB-CE1 4.27Å; L785-F845 HydrophobicContact CB-CZ 3.93Å; L785-F845 HydrophobicContact CD1-CE1 3.97Å; L785-F845 HydrophobicContact CD1-CZ 4.38Å
786A91.4Very high88.9Confident0 Ų045.2 Ų45.20%024%0.236CC..  trans-79.1139.3170.200000111R777 G784 Q806 F807 L829R777-A786 HydrophobicContact CB-CB 4.3Å; R777-A786 WeakPolarHBondContact O-CB 3.41Å; R777-A786 PolarHBondContact O-N 2.97Å; G784-A786 PolarHBondContact O-N 2.84Å; A786-Q806 HydrophobicContact CB-CB 3.9Å; A786-Q806 HydrophobicContact CB-CG 3.82Å; A786-F807 WeakPolarHBondContact CA-O 3.5Å; A786-L829 HydrophobicContact CB-CD1 3.95Å
787L91.3Very high88.6Confident53 Ų5346.8 Ų46.828%0.27726%0.256SS..  trans-123.4-10.3178.1-61.2176.9000112.1L785 F807 E809 K828 L829 V831L785-L787 HydrophobicContact CD2-CD2 4Å; L785-L787 HydrophobicContact CG-CD2 4.11Å; L787-F807 PolarHBondContact N-O 3.28Å; L787-E809 HydrophobicContact CD1-CB 4.44Å; L787-K828 WeakPolarHBondContact O-CA 3.46Å; L787-L829 PolarHBondContact O-N 2.77Å; L787-V831 HydrophobicContact CD2-CG2 4.19Å
788Y92.2Very high88.4Confident23 Ų2351.7 Ų51.79%0.0928%0.282CS..EExtended strand (participates in β ladder)trans-136.3142.1-177.8-60.3-94.6000109.8Q806 F807 E809 N812 H826 N827 K828Y788-Q806 CarbonylContact O-C 3.48Å; Y788-Q806 VanDerWaalsContact O-CA 3.23Å; Y788-Q806 WeakPolarHBondContact O-CA 3.39Å; Y788-Q806 WeakPolarHBondContact O-CB 3.27Å; Y788-F807 PolarHBondContact N-O 2.98Å; Y788-F807 VanDerWaalsContact N-O 3.08Å; Y788-F807 PolarHBondContact O-N 3.38Å; Y788-E809 HydrophobicContact CD2-CB 4.47Å; Y788-E809 HydrophobicContact CE2-CB 3.78Å; Y788-E809 HydrophobicContact CE2-CG 3.84Å; Y788-E809 PolarHBondContact OH-OE1 2.86Å; Y788-N812 HydrophobicContact CD2-CB 4.05Å; Y788-N812 HydrophobicContact CG-CB 4.21Å; Y788-H826 AromaticContact CD1-ND1 3.87Å; Y788-N827 CarbonylContact C-O 3.52Å; Y788-N827 WeakPolarHBondContact CA-O 3.46Å; Y788-K828 HydrophobicContact CD1-CG 3.85Å; Y788-K828 HydrophobicContact CE1-CD 4.2Å; Y788-K828 HydrophobicContact CE1-CG 3.54Å; Y788-K828 WeakPolarHBondContact OH-CE 3.22Å; Y788-K828 PolarHBondContact OH-NZ 3.37Å
789E91.6Very high88.1Confident37 Ų3748.6 Ų48.617%0.17327%0.268CS..EExtended strand (participates in β ladder)trans-122151.7165.570.4-178.6148.100110.7K735 R777 K805 Q806 H826 N827 L829K735-E789 WeakPolarHBondContact CE-OE1 3.12Å; K735-E789 WeakPolarHBondContact CE-OE2 3.37Å; K735-E789 IonicContact NZ-OE1 3.28Å; K735-E789 PolarHBondContact NZ-OE1 3.16Å; K735-E789 IonicContact NZ-OE2 3.57Å; K735-E789 PolarHBondContact NZ-OE2 3.19Å; R777-E789 IonicContact CZ-OE2 3.69Å; R777-E789 IonicContact NH1-OE1 3.85Å; R777-E789 IonicContact NH1-OE2 2.75Å; R777-E789 PolarHBondContact NH1-OE2 2.96Å; R777-E789 IonicContact NH2-OE1 3.07Å; R777-E789 IonicContact NH2-OE2 3.35Å; E789-K805 WeakPolarHBondContact CA-O 3.35Å; E789-Q806 HydrophobicContact CB-CB 4.19Å; E789-H826 CarbonylContact O-C 3.57Å; E789-H826 WeakPolarHBondContact O-CA 3.45Å; E789-N827 PolarHBondContact N-O 3.48Å; E789-N827 PolarHBondContact O-N 2.88Å; E789-L829 HydrophobicContact CB-CD2 3.95Å; E789-L829 HydrophobicContact CB-CG 4.31Å; E789-L829 VanDerWaalsContact CD-CD2 3.49Å; E789-L829 HydrophobicContact CG-CD2 3.71Å; E789-L829 HydrophobicContact CG-CG 4.4Å; E789-L829 WeakPolarHBondContact OE1-CD2 3.48Å
790C91.6Very high87.6Confident4 Ų451.5 Ų51.53%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-135.9114.1179.4-1770000111.2C793 K805 R825 H826C790-C793 HydrophobicContact CB-CB 4.02Å; C790-C793 PolarHBondContact O-N 3.16Å; C790-C793 PolarHBondContact SG-N 3.34Å; C790-K805 PolarHBondContact N-O 3.04Å; C790-R825 PolarHBondContact SG-O 2.84Å; C790-H826 HydrophobicContact CB-CB 3.96Å
791R87.3Confident87.2Confident109 Ų10952.1 Ų52.141%0.41130%0.303SS..SBendtrans-61.3-49.2176.4176.2171.4173.5156.21111.3I730 T731 D733 C793 Y794I730-R791 HydrophobicContact CG2-CG 4.25Å; I730-R791 PolarHBondContact O-NE 3.31Å; I730-R791 PolarHBondContact O-NH1 3.4Å; I730-R791 PolarHBondContact O-NH2 2.88Å; T731-R791 PolarHBondContact O-NH1 3.46Å; T731-R791 PolarHBondContact O-NH2 2.62Å; D733-R791 IonicContact OD1-CZ 3.59Å; D733-R791 IonicContact OD1-NH1 2.85Å; D733-R791 PolarHBondContact OD1-NH1 2.83Å; R791-C793 PolarHBondContact O-N 3.36Å; R791-Y794 WeakPolarHBondContact O-CB 3.3Å; R791-Y794 PolarHBondContact O-N 3.01Å
792D88.6Confident86.5Confident70 Ų7049.9 Ų49.937%0.37430%0.302SS..THydrogen-bonded Turntrans-62.8-27-177-43-13.1000112.5Y794 H824 R825D792-Y794 VanDerWaalsContact C-N 3.27Å; D792-Y794 PolarHBondContact O-N 2.82Å; D792-H824 HydrophobicContact CB-CB 3.83Å; D792-H824 PolarHBondContact O-CE1 2.93Å; D792-H824 VanDerWaalsContact OD2-CA 3.28Å; D792-H824 WeakPolarHBondContact OD2-CA 3.48Å; D792-R825 PolarHBondContact OD2-N 2.91Å
793C89.9Confident86.3Confident0 Ų052 Ų520%030%0.304CS..THydrogen-bonded Turntrans-72.3-14.8172.5-71.90000113.2C790 R791 E795 D796 K805 H824C790-C793 HydrophobicContact CB-CB 4.02Å; C790-C793 PolarHBondContact O-N 3.16Å; C790-C793 PolarHBondContact SG-N 3.34Å; R791-C793 PolarHBondContact O-N 3.36Å; C793-E795 VanDerWaalsContact C-N 3.31Å; C793-E795 PolarHBondContact O-N 2.77Å; C793-D796 WeakPolarHBondContact O-CB 3.36Å; C793-D796 PolarHBondContact O-N 3.42Å; C793-K805 HydrophobicContact CB-CB 3.87Å; C793-K805 HydrophobicContact CB-CG 3.74Å; C793-K805 WeakPolarHBondContact O-CE 3.48Å; C793-K805 WeakPolarHBondContact O-CG 3.47Å; C793-H824 PolarHBondContact SG-ND1 3.5Å
794Y85.3Confident86.3Confident19 Ų1949.6 Ų49.68%0.07528%0.282CS..THydrogen-bonded Turntrans-57.7-42.6-173.4-177.5-102.4000113W727 I730 R791 D792 D796 G802 K803 I804 K805W727-Y794 AromaticContact CD1-CE1 3.72Å; W727-Y794 AromaticContact CD1-CZ 3.79Å; W727-Y794 AromaticContact NE1-CE1 3.83Å; W727-Y794 AromaticContact NE1-CZ 3.81Å; W727-Y794 PolarHBondContact NE1-OH 2.89Å; I730-Y794 HydrophobicContact CD1-CD1 4.02Å; I730-Y794 HydrophobicContact CD1-CD2 3.54Å; I730-Y794 HydrophobicContact CD1-CE1 3.9Å; I730-Y794 HydrophobicContact CD1-CE2 3.39Å; I730-Y794 HydrophobicContact CD1-CG 3.85Å; R791-Y794 WeakPolarHBondContact O-CB 3.3Å; R791-Y794 PolarHBondContact O-N 3.01Å; D792-Y794 VanDerWaalsContact C-N 3.27Å; D792-Y794 PolarHBondContact O-N 2.82Å; Y794-D796 PolarHBondContact O-N 3.47Å; Y794-G802 WeakPolarHBondContact CE2-O 3.25Å; Y794-G802 PolarHBondContact OH-O 3.06Å; Y794-K803 WeakPolarHBondContact CD2-O 3.35Å; Y794-K803 VanDerWaalsContact CE2-C 3.48Å; Y794-I804 HydrophobicContact CD2-CG1 4.43Å; Y794-I804 HydrophobicContact CE2-CG1 4.31Å; Y794-K805 WeakPolarHBondContact O-CE 3.08Å; Y794-K805 PolarHBondContact O-NZ 3.03Å; Y794-K805 VanDerWaalsContact O-NZ 3.12Å
795E80.1Confident86.4Confident174 Ų17448.4 Ų48.481%0.81327%0.269SS*.THydrogen-bonded Turntrans-72.8-10.5177.9-52.5-163.9146.800113.3C793 G797C793-E795 VanDerWaalsContact C-N 3.31Å; C793-E795 PolarHBondContact O-N 2.77Å; E795-G797 PolarHBondContact O-N 3.14Å
796D82.5Confident86.6Confident20 Ų2046.5 Ų46.511%0.10726%0.26CS..  trans-72.7101.5177.9-160.4-46000110.6C793 Y794 D798 I799 K805 R821C793-D796 WeakPolarHBondContact O-CB 3.36Å; C793-D796 PolarHBondContact O-N 3.42Å; Y794-D796 PolarHBondContact O-N 3.47Å; D796-D798 PolarHBondContact O-N 3.32Å; D796-D798 WeakPolarHBondContact OD1-CA 3.5Å; D796-D798 WeakPolarHBondContact OD1-CB 3.42Å; D796-D798 PolarHBondContact OD1-N 3.28Å; D796-I799 PolarHBondContact O-N 3.18Å; D796-K805 WeakPolarHBondContact O-CE 3.37Å; D796-R821 IonicContact OD1-NH1 3.97Å; D796-R821 PolarHBondContact OD1-NH1 3.46Å; D796-R821 VanDerWaalsContact OD2-CD 3.22Å; D796-R821 WeakPolarHBondContact OD2-CD 3.47Å; D796-R821 WeakPolarHBondContact OD2-CG 3.25Å; D796-R821 IonicContact OD2-CZ 3.79Å; D796-R821 IonicContact OD2-NE 3.51Å; D796-R821 IonicContact OD2-NH1 2.75Å; D796-R821 PolarHBondContact OD2-NH1 2.82Å
797G80.4Confident86.7Confident51 Ų5146.5 Ų46.553%0.52626%0.26SS..THydrogen-bonded Turntrans-66.7-21.1176.200000114.1E795 I799E795-G797 PolarHBondContact O-N 3.14Å; G797-I799 PolarHBondContact O-N 3.4Å
798D84.7Confident86.8Confident105 Ų10545 Ų4556%0.56125%0.253SS*.THydrogen-bonded Turntrans-69.1-18.1179.9-53.3-27000111.2D796 K820 R821D796-D798 PolarHBondContact O-N 3.32Å; D796-D798 WeakPolarHBondContact OD1-CA 3.5Å; D796-D798 WeakPolarHBondContact OD1-CB 3.42Å; D796-D798 PolarHBondContact OD1-N 3.28Å; D798-K820 IonicContact OD1-NZ 3.37Å; D798-K820 IonicContact OD2-NZ 3.08Å; D798-K820 PolarHBondContact OD2-NZ 3.36Å; D798-R821 IonicContact OD2-NH1 2.73Å
799I83.3Confident86.8Confident14 Ų1448.7 Ų48.77%0.07227%0.271CS..THydrogen-bonded Turntrans-124.889.6-174.8-53.4178.4000110.9I781 D796 G797 K805 F807 V815I781-I799 HydrophobicContact CD1-CG2 3.88Å; D796-I799 PolarHBondContact O-N 3.18Å; G797-I799 PolarHBondContact O-N 3.4Å; I799-K805 HydrophobicContact CG2-CD 4.38Å; I799-K805 VanDerWaalsContact O-CD 3.25Å; I799-K805 WeakPolarHBondContact O-CD 3.48Å; I799-K805 WeakPolarHBondContact O-CE 3.43Å; I799-K805 PolarHBondContact O-NZ 2.7Å; I799-F807 HydrophobicContact CG2-CE1 4.19Å; I799-F807 HydrophobicContact CG2-CZ 4.37Å; I799-V815 HydrophobicContact CD1-CB 4.46Å; I799-V815 HydrophobicContact CD1-CG1 3.62Å; I799-V815 HydrophobicContact CD1-CG2 4.03Å
800T80.3Confident87Confident63 Ų6355.2 Ų55.239%0.38730%0.299SS..THydrogen-bonded Turntrans49.268.1175.255.40000112K803 K805T800-K803 PolarHBondContact O-N 3.37Å; T800-K805 PolarHBondContact O-NZ 3.37Å
801A81.6Confident87.2Confident67 Ų6755.9 Ų55.955%0.55430%0.303SS*.THydrogen-bonded Turntrans-47.5145.7-174.800000113.5K803A801-K803 PolarHBondContact O-N 2.99Å; A801-K803 VanDerWaalsContact O-N 3.1Å
802G77.5Confident87.5Confident45 Ų4550.9 Ų50.946%0.46429%0.285SS..THydrogen-bonded Turntrans73.6-12.4177.200000117Y794Y794-G802 WeakPolarHBondContact CE2-O 3.25Å; Y794-G802 PolarHBondContact OH-O 3.06Å
803K85.9Confident87.8Confident112 Ų11251 Ų5149%0.48729%0.288SS..SBendtrans-102152.7-178.8-60.2-169.8179.6-173.50113.5Y794 T800 A801 K805Y794-K803 WeakPolarHBondContact CD2-O 3.35Å; Y794-K803 VanDerWaalsContact CE2-C 3.48Å; T800-K803 PolarHBondContact O-N 3.37Å; A801-K803 PolarHBondContact O-N 2.99Å; A801-K803 VanDerWaalsContact O-N 3.1Å; K803-K805 WeakPolarHBondContact O-CD 3.28Å; K803-K805 PolarHBondContact O-N 3.22Å; K803-K805 PolarHBondContact O-NZ 3.28Å
804I88.6Confident88Confident10 Ų1057.3 Ų57.35%0.05132%0.318CS..  trans-57.6134.2170.7-68.1171.4000110.5E726 I730 D770 L771 R780 Y794E726-I804 HydrophobicContact CG-CD1 4.36Å; I730-I804 HydrophobicContact CD1-CD1 4.42Å; I730-I804 HydrophobicContact CD1-CG1 3.95Å; I730-I804 HydrophobicContact CG1-CG1 4.46Å; D770-I804 HydrophobicContact CB-CB 4.03Å; D770-I804 HydrophobicContact CB-CD1 3.8Å; D770-I804 HydrophobicContact CB-CG1 4.46Å; D770-I804 HydrophobicContact CB-CG2 4.16Å; L771-I804 HydrophobicContact CD2-CD1 3.58Å; R780-I804 PolarHBondContact NE-O 3.45Å; Y794-I804 HydrophobicContact CD2-CG1 4.43Å; Y794-I804 HydrophobicContact CE2-CG1 4.31Å
805K91.3Very high88.4Confident1 Ų157 Ų570%0.00432%0.318CS..  trans-100.6109.2-172-48.2-66.8-169-114.60110.1E789 C790 C793 Y794 D796 I799 T800 K803 F807E789-K805 WeakPolarHBondContact CA-O 3.35Å; C790-K805 PolarHBondContact N-O 3.04Å; C793-K805 HydrophobicContact CB-CB 3.87Å; C793-K805 HydrophobicContact CB-CG 3.74Å; C793-K805 WeakPolarHBondContact O-CE 3.48Å; C793-K805 WeakPolarHBondContact O-CG 3.47Å; Y794-K805 WeakPolarHBondContact O-CE 3.08Å; Y794-K805 PolarHBondContact O-NZ 3.03Å; Y794-K805 VanDerWaalsContact O-NZ 3.12Å; D796-K805 WeakPolarHBondContact O-CE 3.37Å; I799-K805 HydrophobicContact CG2-CD 4.38Å; I799-K805 VanDerWaalsContact O-CD 3.25Å; I799-K805 WeakPolarHBondContact O-CD 3.48Å; I799-K805 WeakPolarHBondContact O-CE 3.43Å; I799-K805 PolarHBondContact O-NZ 2.7Å; T800-K805 PolarHBondContact O-NZ 3.37Å; K803-K805 WeakPolarHBondContact O-CD 3.28Å; K803-K805 PolarHBondContact O-N 3.22Å; K803-K805 PolarHBondContact O-NZ 3.28Å; K805-F807 HydrophobicContact CB-CE2 4.13Å; K805-F807 HydrophobicContact CB-CZ 3.91Å
806Q92.3Very high89.1Confident0 Ų049.6 Ų49.60%028%0.283CS..EExtended strand (participates in β ladder)trans-134.6145.6176.965.8-133.2-4.900111.4D770 R777 E778 C779 R780 A786 Y788 E789 L829D770-Q806 PolarHBondContact OD1-NE2 3.32Å; D770-Q806 PolarHBondContact OD2-NE2 3.37Å; D770-Q806 VanDerWaalsContact OD2-NE2 3.08Å; R777-Q806 HydrophobicContact CB-CG 4.21Å; R777-Q806 VanDerWaalsContact NH1-OE1 3.11Å; E778-Q806 VanDerWaalsContact O-CG 3.23Å; E778-Q806 WeakPolarHBondContact O-CG 3.41Å; E778-Q806 PolarHBondContact O-NE2 2.85Å; C779-Q806 WeakPolarHBondContact CA-O 3.29Å; R780-Q806 PolarHBondContact N-O 3.14Å; A786-Q806 HydrophobicContact CB-CB 3.9Å; A786-Q806 HydrophobicContact CB-CG 3.82Å; Y788-Q806 CarbonylContact O-C 3.48Å; Y788-Q806 VanDerWaalsContact O-CA 3.23Å; Y788-Q806 WeakPolarHBondContact O-CA 3.39Å; Y788-Q806 WeakPolarHBondContact O-CB 3.27Å; E789-Q806 HydrophobicContact CB-CB 4.19Å; Q806-L829 HydrophobicContact CB-CD1 4.27Å
807F94Very high89.6Confident0 Ų054 Ų540%031%0.306CS..EExtended strand (participates in β ladder)trans-140.9144.1-163.5-53.7-62.2000111.7R780 I781 A786 L787 Y788 I799 K805 C811 N812 V815R780-F807 HydrophobicContact CB-CE1 4.47Å; I781-F807 HydrophobicContact CD1-CE1 4.34Å; I781-F807 HydrophobicContact CG1-CD1 3.93Å; I781-F807 HydrophobicContact CG1-CE1 3.94Å; A786-F807 WeakPolarHBondContact CA-O 3.5Å; L787-F807 PolarHBondContact N-O 3.28Å; Y788-F807 PolarHBondContact N-O 2.98Å; Y788-F807 VanDerWaalsContact N-O 3.08Å; Y788-F807 PolarHBondContact O-N 3.38Å; I799-F807 HydrophobicContact CG2-CE1 4.19Å; I799-F807 HydrophobicContact CG2-CZ 4.37Å; K805-F807 HydrophobicContact CB-CE2 4.13Å; K805-F807 HydrophobicContact CB-CZ 3.91Å; F807-C811 HydrophobicContact CB-CB 4.31Å; F807-N812 HydrophobicContact CB-CB 3.81Å; F807-V815 HydrophobicContact CD1-CG2 4.29Å; F807-V815 HydrophobicContact CE1-CG2 3.92Å; F807-V815 HydrophobicContact CE2-CG1 4.03Å; F807-V815 HydrophobicContact CZ-CB 4.4Å; F807-V815 HydrophobicContact CZ-CG1 3.88Å; F807-V815 HydrophobicContact CZ-CG2 4.1Å
808C93.3Very high90.2Very high21 Ų2154.7 Ų54.714%0.14230%0.296CS..  trans-69.5160.4160.778.60000109.4C779 L785 K810 C811 N812C779-C808 HydrophobicContact CB-CB 4.15Å; C779-C808 PolarHBondContact SG-N 2.89Å; L785-C808 WeakPolarHBondContact O-CA 3.46Å; L785-C808 WeakPolarHBondContact O-CB 3.34Å; C808-K810 VanDerWaalsContact C-N 3.28Å; C808-K810 PolarHBondContact O-N 3.17Å; C808-K810 VanDerWaalsContact O-N 3.16Å; C808-C811 PolarHBondContact O-N 3.24Å; C808-C811 VanDerWaalsContact O-N 3.1Å; C808-N812 WeakPolarHBondContact O-CB 3.46Å; C808-N812 PolarHBondContact O-N 3.47Å
809E93.6Very high90.6Very high101 Ų10155.1 Ų55.147%0.47230%0.304SS..Hα-helixtrans-53.8-40-174.6-172.1157.7-101.900114.5L787 Y788 T813L787-E809 HydrophobicContact CD1-CB 4.44Å; Y788-E809 HydrophobicContact CD2-CB 4.47Å; Y788-E809 HydrophobicContact CE2-CB 3.78Å; Y788-E809 HydrophobicContact CE2-CG 3.84Å; Y788-E809 PolarHBondContact OH-OE1 2.86Å; E809-T813 PolarHBondContact O-N 2.88Å; E809-T813 VanDerWaalsContact O-N 3.15Å; E809-T813 PolarHBondContact O-OG1 2.89Å; E809-T813 VanDerWaalsContact O-OG1 3.05Å
810K94.8Very high90.9Very high174 Ų17460.7 Ų60.776%0.75733%0.328SS*.Hα-helixtrans-65.6-48.9177.8-65-179.7-179.1176.90111.4C808 T813 Q814C808-K810 VanDerWaalsContact C-N 3.28Å; C808-K810 PolarHBondContact O-N 3.17Å; C808-K810 VanDerWaalsContact O-N 3.16Å; K810-T813 PolarHBondContact O-N 2.98Å; K810-Q814 WeakPolarHBondContact O-CG 3.29Å; K810-Q814 PolarHBondContact O-N 3.21Å; K810-Q814 VanDerWaalsContact O-N 3.16Å
811C95Very high91.4Very high17 Ų1758.9 Ų58.912%0.11531%0.314CS..Hα-helixtrans-67.8-37179.3-66.90000112I781 F807 C808 T813 Q814 V815I781-C811 HydrophobicContact CB-CB 4.04Å; I781-C811 HydrophobicContact CG1-CB 4.19Å; I781-C811 HydrophobicContact CG2-CB 4.41Å; F807-C811 HydrophobicContact CB-CB 4.31Å; C808-C811 PolarHBondContact O-N 3.24Å; C808-C811 VanDerWaalsContact O-N 3.1Å; C811-T813 PolarHBondContact O-N 2.81Å; C811-Q814 PolarHBondContact O-N 3.48Å; C811-V815 WeakPolarHBondContact O-CB 3.19Å; C811-V815 VanDerWaalsContact O-CG2 3.29Å; C811-V815 WeakPolarHBondContact O-CG2 3.28Å; C811-V815 PolarHBondContact O-N 3.4Å
812N95.1Very high91.9Very high4 Ų463.7 Ų63.72%0.02132%0.322CS..Hα-helixtrans-56.3-51.5174.8-174.267.7000110.5Y788 F807 C808 Q814 V815 H816 H826Y788-N812 HydrophobicContact CD2-CB 4.05Å; Y788-N812 HydrophobicContact CG-CB 4.21Å; F807-N812 HydrophobicContact CB-CB 3.81Å; C808-N812 WeakPolarHBondContact O-CB 3.46Å; C808-N812 PolarHBondContact O-N 3.47Å; N812-Q814 PolarHBondContact O-N 3.24Å; N812-V815 PolarHBondContact O-N 3.3Å; N812-H816 PolarHBondContact O-N 3.35Å; N812-H816 VanDerWaalsContact O-N 3.13Å; N812-H816 PolarHBondContact O-ND1 3.28Å; N812-H816 PolarHBondContact OD1-CE1 2.93Å; N812-H816 PolarHBondContact OD1-ND1 2.88Å; N812-H826 PolarHBondContact ND2-CD2 2.86Å; N812-H826 PolarHBondContact ND2-CE1 3.27Å; N812-H826 PolarHBondContact ND2-NE2 3.18Å; N812-H826 PolarHBondContact OD1-CD2 3.3Å
813T94.3Very high92.6Very high73 Ų7366.1 Ų66.145%0.44834%0.338SS..Hα-helixtrans-57.8-46.3177-58.10000112.1E809 K810 C811 H816 L817E809-T813 PolarHBondContact O-N 2.88Å; E809-T813 VanDerWaalsContact O-N 3.15Å; E809-T813 PolarHBondContact O-OG1 2.89Å; E809-T813 VanDerWaalsContact O-OG1 3.05Å; K810-T813 PolarHBondContact O-N 2.98Å; C811-T813 PolarHBondContact O-N 2.81Å; T813-H816 PolarHBondContact O-N 3.08Å; T813-L817 HydrophobicContact CG2-CD1 4.26Å; T813-L817 VanDerWaalsContact O-CG 3.3Å; T813-L817 WeakPolarHBondContact O-CG 3.3Å; T813-L817 PolarHBondContact O-N 3.19Å
814Q93.4Very high92.9Very high133 Ų13363 Ų6362%0.62133%0.325SS*.Hα-helixtrans-66.9-39.9-179.4-64.4-57.2-43.100113.1K810 C811 N812 H816 L817K810-Q814 WeakPolarHBondContact O-CG 3.29Å; K810-Q814 PolarHBondContact O-N 3.21Å; K810-Q814 VanDerWaalsContact O-N 3.16Å; C811-Q814 PolarHBondContact O-N 3.48Å; N812-Q814 PolarHBondContact O-N 3.24Å; Q814-H816 VanDerWaalsContact C-N 3.34Å; Q814-H816 PolarHBondContact O-N 2.82Å; Q814-L817 PolarHBondContact O-N 3.39Å
815V93.6Very high92.9Very high11 Ų1171.6 Ų71.67%0.06736%0.357CS..Hα-helixtrans-62.4-41178165.90000111.6I781 I799 F807 C811 N812 H818 R821I781-V815 HydrophobicContact CD1-CG2 4.46Å; I781-V815 HydrophobicContact CG1-CG2 4.31Å; I799-V815 HydrophobicContact CD1-CB 4.46Å; I799-V815 HydrophobicContact CD1-CG1 3.62Å; I799-V815 HydrophobicContact CD1-CG2 4.03Å; F807-V815 HydrophobicContact CD1-CG2 4.29Å; F807-V815 HydrophobicContact CE1-CG2 3.92Å; F807-V815 HydrophobicContact CE2-CG1 4.03Å; F807-V815 HydrophobicContact CZ-CB 4.4Å; F807-V815 HydrophobicContact CZ-CG1 3.88Å; F807-V815 HydrophobicContact CZ-CG2 4.1Å; C811-V815 WeakPolarHBondContact O-CB 3.19Å; C811-V815 VanDerWaalsContact O-CG2 3.29Å; C811-V815 WeakPolarHBondContact O-CG2 3.28Å; C811-V815 PolarHBondContact O-N 3.4Å; N812-V815 PolarHBondContact O-N 3.3Å; V815-H818 WeakPolarHBondContact O-CB 3.42Å; V815-H818 PolarHBondContact O-N 3.49Å; V815-R821 PolarHBondContact O-NE 3.21Å
816H94.8Very high92.9Very high20 Ų2075 Ų759%0.09337%0.373CS..Hα-helixtrans-89.1-6.9-176.4-63.289.1000114.3N812 T813 Q814 H818 K822 H826N812-H816 PolarHBondContact O-N 3.35Å; N812-H816 VanDerWaalsContact O-N 3.13Å; N812-H816 PolarHBondContact O-ND1 3.28Å; N812-H816 PolarHBondContact OD1-CE1 2.93Å; N812-H816 PolarHBondContact OD1-ND1 2.88Å; T813-H816 PolarHBondContact O-N 3.08Å; Q814-H816 VanDerWaalsContact C-N 3.34Å; Q814-H816 PolarHBondContact O-N 2.82Å; H816-H818 PolarHBondContact O-N 2.75Å; H816-K822 VanDerWaalsContact O-CA 3.28Å; H816-K822 WeakPolarHBondContact O-CA 3.47Å; H816-H826 AromaticContact CD2-CD2 3.86Å; H816-H826 AromaticContact CE1-CD2 3.7Å; H816-H826 AromaticContact CG-CD2 3.8Å; H816-H826 AromaticContact ND1-CD2 3.69Å; H816-H826 AromaticContact NE2-CD2 3.81Å
817L94.3Very high92.7Very high112 Ų11278.2 Ų78.259%0.58639%0.39SS*.THydrogen-bonded Turntrans-70.6-18.9164.3-79.9169.5000112.5T813 Q814T813-L817 HydrophobicContact CG2-CD1 4.26Å; T813-L817 VanDerWaalsContact O-CG 3.3Å; T813-L817 WeakPolarHBondContact O-CG 3.3Å; T813-L817 PolarHBondContact O-N 3.19Å; Q814-L817 PolarHBondContact O-N 3.39Å
818H93.1Very high92.5Very high66 Ų6685.5 Ų85.531%0.30642%0.422SS..SBendtrans-67.9134180-174.1-113.1000112V815 H816 K820 R821 K822V815-H818 WeakPolarHBondContact O-CB 3.42Å; V815-H818 PolarHBondContact O-N 3.49Å; H816-H818 PolarHBondContact O-N 2.75Å; H818-K820 VanDerWaalsContact C-N 3.34Å; H818-K820 PolarHBondContact O-N 2.87Å; H818-K820 VanDerWaalsContact O-N 3.17Å; H818-R821 VanDerWaalsContact CG-NH2 3.34Å; H818-R821 PolarHBondContact ND1-NH2 3.13Å; H818-R821 PolarHBondContact O-N 3.41Å; H818-K822 PolarHBondContact O-N 2.77Å
819P92Very high92.2Very high113 Ų11385.6 Ų85.673%0.73442%0.421SS*.THydrogen-bonded Turntrans-53.4-41.3-173.7-30.636.6000115.5R821P819-R821 VanDerWaalsContact C-N 3.27Å; P819-R821 PolarHBondContact O-N 2.8Å
820K90.1Very high91.5Very high132 Ų13283.4 Ų83.457%0.57442%0.416SS*.THydrogen-bonded Turntrans-59.5-36.2176-61.3-177.6-168.8171.30112.6D798 H818 H824D798-K820 IonicContact OD1-NZ 3.37Å; D798-K820 IonicContact OD2-NZ 3.08Å; D798-K820 PolarHBondContact OD2-NZ 3.36Å; H818-K820 VanDerWaalsContact C-N 3.34Å; H818-K820 PolarHBondContact O-N 2.87Å; H818-K820 VanDerWaalsContact O-N 3.17Å; K820-H824 PolarHBondContact O-NE2 3.46Å
821R91.5Very high90.7Very high24 Ų2475.9 Ų75.99%0.09139%0.385CS..THydrogen-bonded Turntrans-103.5-5.2-166.5-66.8-179.2-78.8-97.39114.2D796 D798 V815 H818 P819 A823 H824D796-R821 IonicContact OD1-NH1 3.97Å; D796-R821 PolarHBondContact OD1-NH1 3.46Å; D796-R821 VanDerWaalsContact OD2-CD 3.22Å; D796-R821 WeakPolarHBondContact OD2-CD 3.47Å; D796-R821 WeakPolarHBondContact OD2-CG 3.25Å; D796-R821 IonicContact OD2-CZ 3.79Å; D796-R821 IonicContact OD2-NE 3.51Å; D796-R821 IonicContact OD2-NH1 2.75Å; D796-R821 PolarHBondContact OD2-NH1 2.82Å; D798-R821 IonicContact OD2-NH1 2.73Å; V815-R821 PolarHBondContact O-NE 3.21Å; H818-R821 VanDerWaalsContact CG-NH2 3.34Å; H818-R821 PolarHBondContact ND1-NH2 3.13Å; H818-R821 PolarHBondContact O-N 3.41Å; P819-R821 VanDerWaalsContact C-N 3.27Å; P819-R821 PolarHBondContact O-N 2.8Å; R821-A823 PolarHBondContact O-N 3.14Å; R821-A823 VanDerWaalsContact O-N 3.17Å; R821-H824 WeakPolarHBondContact O-CB 3.32Å; R821-H824 PolarHBondContact O-N 2.97Å
822K90.9Very high89.8Confident168 Ų16877.2 Ų77.273%0.7339%0.394SS*.THydrogen-bonded Turntrans-63.7-20.6-176.1-174176.7175.4-174.60114.4H816 H818H816-K822 VanDerWaalsContact O-CA 3.28Å; H816-K822 WeakPolarHBondContact O-CA 3.47Å; H818-K822 PolarHBondContact O-N 2.77Å
823A91.9Very high88.5Confident97 Ų9784.3 Ų84.380%0.80242%0.424SS*.THydrogen-bonded Turntrans-91.2-817600000113.9R821R821-A823 PolarHBondContact O-N 3.14Å; R821-A823 VanDerWaalsContact O-N 3.17Å
824H92.9Very high87.3Confident47 Ų4787.6 Ų87.622%0.21843%0.434CS..  trans-71.5144.8-173.9-66.3-163.4000111.8D792 C793 K820 R821D792-H824 HydrophobicContact CB-CB 3.83Å; D792-H824 PolarHBondContact O-CE1 2.93Å; D792-H824 VanDerWaalsContact OD2-CA 3.28Å; D792-H824 WeakPolarHBondContact OD2-CA 3.48Å; C793-H824 PolarHBondContact SG-ND1 3.5Å; K820-H824 PolarHBondContact O-NE2 3.46Å; R821-H824 WeakPolarHBondContact O-CB 3.32Å; R821-H824 PolarHBondContact O-N 2.97Å
825R89.2Confident86.1Confident189 Ų18985.1 Ų85.171%0.71343%0.425SS*.  trans-94.6115.6176.1-174.9173.8174.6173.8-2.5110.3C790 D792C790-R825 PolarHBondContact SG-O 2.84Å; D792-R825 PolarHBondContact OD2-N 2.91Å
826H90.7Very high84.7Confident73 Ų7390.4 Ų90.434%0.33845%0.449SS..EExtended strand (participates in β ladder)trans-103.8132.3172.257.855.5000111.3Y788 E789 C790 N812 H816Y788-H826 AromaticContact CD1-ND1 3.87Å; E789-H826 CarbonylContact O-C 3.57Å; E789-H826 WeakPolarHBondContact O-CA 3.45Å; C790-H826 HydrophobicContact CB-CB 3.96Å; N812-H826 PolarHBondContact ND2-CD2 2.86Å; N812-H826 PolarHBondContact ND2-CE1 3.27Å; N812-H826 PolarHBondContact ND2-NE2 3.18Å; N812-H826 PolarHBondContact OD1-CD2 3.3Å; H816-H826 AromaticContact CD2-CD2 3.86Å; H816-H826 AromaticContact CE1-CD2 3.7Å; H816-H826 AromaticContact CG-CD2 3.8Å; H816-H826 AromaticContact ND1-CD2 3.69Å; H816-H826 AromaticContact NE2-CD2 3.81Å
827N88.8Confident83.1Confident67 Ų6797.1 Ų97.136%0.35848%0.48SS..EExtended strand (participates in β ladder)trans-96.5154.1176.9-67.1-27.8000109.9Y788 E789Y788-N827 CarbonylContact C-O 3.52Å; Y788-N827 WeakPolarHBondContact CA-O 3.46Å; E789-N827 PolarHBondContact N-O 3.48Å; E789-N827 PolarHBondContact O-N 2.88Å
828K88.9Confident81.3Confident154 Ų15494.3 Ų94.367%0.6748%0.479SS*.EExtended strand (participates in β ladder)trans-80.9137.1170.6-76.7-168.4173.4-160.90110.2L787 Y788L787-K828 WeakPolarHBondContact O-CA 3.46Å; Y788-K828 HydrophobicContact CD1-CG 3.85Å; Y788-K828 HydrophobicContact CE1-CD 4.2Å; Y788-K828 HydrophobicContact CE1-CG 3.54Å; Y788-K828 WeakPolarHBondContact OH-CE 3.22Å; Y788-K828 PolarHBondContact OH-NZ 3.37Å
829L86.6Confident79.1Confident23 Ų23100.5 Ų100.512%0.1251%0.508CS..PPolyproline II helixtrans-78.2144.2169.5-67.1173.1000110A786 L787 E789 Q806 V831A786-L829 HydrophobicContact CB-CD1 3.95Å; L787-L829 PolarHBondContact O-N 2.77Å; E789-L829 HydrophobicContact CB-CD2 3.95Å; E789-L829 HydrophobicContact CB-CG 4.31Å; E789-L829 VanDerWaalsContact CD-CD2 3.49Å; E789-L829 HydrophobicContact CG-CD2 3.71Å; E789-L829 HydrophobicContact CG-CG 4.4Å; E789-L829 WeakPolarHBondContact OE1-CD2 3.48Å; Q806-L829 HydrophobicContact CB-CD1 4.27Å; L829-V831 HydrophobicContact CB-CG2 4.25Å
830S80.1Confident77.3Confident55 Ų5598.8 Ų98.839%0.38551%0.51SS..PPolyproline II helixtrans-78.1130.9162.943.20000109.3D774D774-S830 WeakPolarHBondContact OD1-CB 3.35Å; D774-S830 PolarHBondContact OD1-OG 3.39Å
831V78.1Confident75.2Confident15 Ų15104.1 Ų104.19%0.09153%0.527CS..  trans-138.3132.8-177-1780000108.7L785 L787 L829 L835 Q836L785-V831 HydrophobicContact CD1-CG1 4.05Å; L785-V831 HydrophobicContact CD2-CG1 4.19Å; L787-V831 HydrophobicContact CD2-CG2 4.19Å; L829-V831 HydrophobicContact CB-CG2 4.25Å; V831-L835 HydrophobicContact CG1-CB 4.29Å; V831-Q836 HydrophobicContact CB-CG 4.47Å; V831-Q836 HydrophobicContact CG1-CG 4.36Å; V831-Q836 PolarHBondContact O-NE2 2.71Å
832P75.5Confident73.3Confident46 Ų46112.9 Ų112.930%0.29957%0.569SS.*  trans-50.6138.2175.5-28.735.5000112.9E834 L835P832-E834 VanDerWaalsContact C-N 3.3Å; P832-E834 WeakPolarHBondContact CB-OE2 3.48Å; P832-E834 PolarHBondContact O-N 3.45Å; P832-L835 HydrophobicContact CB-CD1 4.34Å; P832-L835 HydrophobicContact CG-CD1 4.42Å; P832-L835 PolarHBondContact O-N 3.39Å; P832-L835 VanDerWaalsContact O-N 3.14Å
833K68.4Low71.5Confident153 Ų153107.8 Ų107.867%0.66556%0.564SS**Hα-helixtrans-65.7-34.5-169.4-68-177179.9178.50112.5L835 Q836 E837K833-L835 PolarHBondContact O-N 3.41Å; K833-L835 VanDerWaalsContact O-N 3.16Å; K833-Q836 WeakPolarHBondContact O-CB 3.38Å; K833-Q836 PolarHBondContact O-N 2.77Å; K833-E837 PolarHBondContact O-N 2.87Å
834E68.4Low70.1Confident142 Ų142106.9 Ų106.966%0.66456%0.564SS**Hα-helixtrans-56.2-31.7177.3-54.977.7-172.200111.7P832 G838P832-E834 VanDerWaalsContact C-N 3.3Å; P832-E834 WeakPolarHBondContact CB-OE2 3.48Å; P832-E834 PolarHBondContact O-N 3.45Å; E834-G838 PolarHBondContact O-N 2.86Å
835L68.1Low69.3Low81 Ų81107.2 Ų107.242%0.42457%0.565SS.*Hα-helixtrans-89.3-13.7179.6-62.9172.4000113.6P776 V831 P832 K833P776-L835 HydrophobicContact CB-CD1 3.86Å; P776-L835 HydrophobicContact CG-CD1 3.26Å; V831-L835 HydrophobicContact CG1-CB 4.29Å; P832-L835 HydrophobicContact CB-CD1 4.34Å; P832-L835 HydrophobicContact CG-CD1 4.42Å; P832-L835 PolarHBondContact O-N 3.39Å; P832-L835 VanDerWaalsContact O-N 3.14Å; K833-L835 PolarHBondContact O-N 3.41Å; K833-L835 VanDerWaalsContact O-N 3.16Å
836Q63.5Low68.7Low122 Ų122102.7 Ų102.757%0.5756%0.56SS**Hα-helixtrans-82.5-32.1171.7-57.4-17432.400111.5V831 K833V831-Q836 HydrophobicContact CB-CG 4.47Å; V831-Q836 HydrophobicContact CG1-CG 4.36Å; V831-Q836 PolarHBondContact O-NE2 2.71Å; K833-Q836 WeakPolarHBondContact O-CB 3.38Å; K833-Q836 PolarHBondContact O-N 2.77Å
837E61.4Low68.5Low161 Ų161103.9 Ų103.975%0.75256%0.561SS**Hα-helixtrans-89.3-22.3-178.4-64.3176.9-172.200113K833 Q839K833-E837 PolarHBondContact O-N 2.87Å; E837-Q839 PolarHBondContact O-N 2.82Å
838G56.5Low68.5Low53 Ų53103.3 Ų103.355%0.54656%0.556SS.*  trans-72.1102.9-179.100000114.5E834 G840E834-G838 PolarHBondContact O-N 2.86Å; G838-G840 PolarHBondContact O-N 2.76Å
839Q48.5Very low68.7Low196 Ų196101.6 Ų101.692%0.91655%0.546SS*.  trans-66.892.7170.1-72.8-169.9-0.900112.3E837E837-Q839 PolarHBondContact O-N 2.82Å
840G52.2Low69.1Low76 Ų76100.5 Ų100.578%0.78454%0.54SS*.  trans50.688.3152.100000117.2G838G838-G840 PolarHBondContact O-N 2.76Å
841R47.9Very low69.8Low245 Ų245101.1 Ų101.193%0.92554%0.537SS*.  trans-119.4127.9157.8-76.2-165.4171.7-159.9-2.3111.9G843R841-G843 PolarHBondContact O-N 2.97Å; R841-G843 VanDerWaalsContact O-N 3.08Å
842Q50.6Low70.8Confident208 Ų208100.5 Ų100.597%0.97253%0.533SS*.  trans-49.9103.9177.4-66.6-78.3-1300111.6
843G53.3Low71.8Confident61 Ų6198.7 Ų98.763%0.62952%0.52SS*.  trans-166.4135.9173.500000108.7R841R841-G843 PolarHBondContact O-N 2.97Å; R841-G843 VanDerWaalsContact O-N 3.08Å
844G63.2Low73.2Confident78 Ų7891.4 Ų91.480%0.80449%0.489SS*.PPolyproline II helixtrans-66.5142177.100000110.9
845F74.5Confident74.6Confident54 Ų5484.6 Ų84.624%0.23746%0.457CS..PPolyproline II helixtrans-61.5132.5174-62.5-76000109.7P776 E778 L785 R847P776-F845 HydrophobicContact CB-CD1 3.92Å; P776-F845 HydrophobicContact CB-CE1 4.49Å; E778-F845 HydrophobicContact CB-CD2 3.87Å; E778-F845 HydrophobicContact CB-CE2 4.36Å; E778-F845 HydrophobicContact CG-CD2 4.1Å; E778-F845 HydrophobicContact CG-CE2 4.3Å; L785-F845 HydrophobicContact CB-CE1 4.27Å; L785-F845 HydrophobicContact CB-CZ 3.93Å; L785-F845 HydrophobicContact CD1-CE1 3.97Å; L785-F845 HydrophobicContact CD1-CZ 4.38Å; F845-R847 WeakPolarHBondContact O-CG 3.08Å; F845-R847 PolarHBondContact O-N 3.38Å
846P77.1Confident76.1Confident94 Ų9480.8 Ų80.861%0.6144%0.437SS*.PPolyproline II helixtrans-64.1123.9-179.426.8-33.7000109.4
847R85.8Confident77.7Confident97 Ų9775 Ų7537%0.36641%0.41SS..PPolyproline II helixtrans-98.5122.3-178.9-46.6-157.780-120.1-10.8109.1D767 T769 F845 R849D767-R847 IonicContact OD1-CZ 2.69Å; D767-R847 IonicContact OD1-NH1 2.75Å; D767-R847 PolarHBondContact OD1-NH1 2.69Å; D767-R847 IonicContact OD1-NH2 3.62Å; D767-R847 PolarHBondContact OD1-NH2 3.34Å; D767-R847 IonicContact OD2-CZ 2.8Å; D767-R847 IonicContact OD2-NH1 3.14Å; D767-R847 PolarHBondContact OD2-NH1 2.75Å; D767-R847 IonicContact OD2-NH2 3.4Å; D767-R847 PolarHBondContact OD2-NH2 3.18Å; T769-R847 WeakPolarHBondContact OG1-CA 3.33Å; F845-R847 WeakPolarHBondContact O-CG 3.08Å; F845-R847 PolarHBondContact O-N 3.38Å; R847-R849 PolarHBondContact O-N 2.99Å
848Q89.6Confident79.3Confident55 Ų5567.9 Ų67.926%0.25738%0.377SS..  trans-82.3108.2178.7-17559.95200109A739 I768 T769 L772A739-Q848 HydrophobicContact CB-CG 4.02Å; I768-Q848 HydrophobicContact CD1-CG 3.8Å; I768-Q848 HydrophobicContact CG1-CB 4.04Å; I768-Q848 HydrophobicContact CG1-CG 3.7Å; I768-Q848 WeakPolarHBondContact CG1-O 3.18Å; I768-Q848 PolarHBondContact N-O 3.33Å; T769-Q848 PolarHBondContact OG1-N 3.29Å; L772-Q848 HydrophobicContact CD1-CB 3.91Å; L772-Q848 HydrophobicContact CD1-CG 4.09Å
849R93Very high80.7Confident118 Ų11868.1 Ų68.145%0.44536%0.364SS..EExtended strand (participates in β ladder)trans-105159.1174.8-56-162.3-165.8177.23.6111.8E765 L766 R847E765-R849 IonicContact OE1-NH1 3.63Å; E765-R849 WeakPolarHBondContact OE2-CD 3.43Å; E765-R849 IonicContact OE2-CZ 3.23Å; E765-R849 IonicContact OE2-NE 2.9Å; E765-R849 IonicContact OE2-NH1 2.72Å; E765-R849 PolarHBondContact OE2-NH1 2.69Å; L766-R849 CarbonylContact O-C 3.54Å; L766-R849 WeakPolarHBondContact O-CA 3.31Å; R847-R849 PolarHBondContact O-N 2.99Å
850M95.2Very high82.2Confident0 Ų063 Ų630%035%0.346CS..EExtended strand (participates in β ladder)trans-133.5141.5168.7-56.5-173.875.900109P740 L743 E765 L766 I768 Q939P740-M850 HydrophobicContact CG-CE 4.22Å; P740-M850 HydrophobicContact CG-SD 3.94Å; P740-M850 VanDerWaalsContact O-CE 3.25Å; P740-M850 WeakPolarHBondContact O-CE 3.42Å; L743-M850 HydrophobicContact CB-CE 3.6Å; L743-M850 HydrophobicContact CB-SD 3.72Å; L743-M850 HydrophobicContact CD2-SD 3.8Å; L743-M850 HydrophobicContact CG-SD 4.43Å; E765-M850 CarbonylContact C-O 3.5Å; E765-M850 VanDerWaalsContact CA-O 3.31Å; E765-M850 WeakPolarHBondContact CA-O 3.45Å; L766-M850 PolarHBondContact N-O 2.75Å; L766-M850 PolarHBondContact O-N 3.07Å; I768-M850 HydrophobicContact CD1-CG 4.34Å; I768-M850 HydrophobicContact CD1-SD 3.99Å; M850-Q939 CarbonylContact C-O 3.14Å; M850-Q939 VanDerWaalsContact CA-O 3.23Å; M850-Q939 WeakPolarHBondContact CA-O 3.4Å; M850-Q939 WeakPolarHBondContact CB-O 3.46Å
851E95.8Very high83.8Confident68 Ų6862.4 Ų62.432%0.31833%0.33SS..EExtended strand (participates in β ladder)trans-97.6143.4179.568.4-166.7171.800111.1F853 Y938 Q939 P941E851-F853 PolarHBondContact O-N 3.06Å; E851-Y938 CarbonylContact O-C 3.49Å; E851-Y938 VanDerWaalsContact O-CA 3.23Å; E851-Y938 WeakPolarHBondContact O-CA 3.19Å; E851-Q939 HydrophobicContact CG-CG 3.6Å; E851-Q939 PolarHBondContact N-O 3Å; E851-Q939 PolarHBondContact O-N 3.1Å; E851-Q939 WeakPolarHBondContact OE1-CG 3.46Å; E851-Q939 PolarHBondContact OE1-NE2 3.3Å; E851-P941 HydrophobicContact CB-CG 4.11Å; E851-P941 HydrophobicContact CG-CG 4Å
852L97.4Very high86Confident3 Ų352.9 Ų52.92%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-74.7116.9173.8-177.669.4000109.5P762 L764 V855 W876 C936 Y938P762-L852 HydrophobicContact CB-CD2 3.88Å; L764-L852 HydrophobicContact CD2-CD2 4.42Å; L764-L852 WeakPolarHBondContact O-CB 3.29Å; L764-L852 PolarHBondContact O-N 2.96Å; L852-V855 HydrophobicContact CD1-CG2 3.84Å; L852-V855 HydrophobicContact CD2-CG2 3.95Å; L852-V855 HydrophobicContact CG-CG2 4.27Å; L852-W876 HydrophobicContact CD2-CH2 3.73Å; L852-W876 HydrophobicContact CD2-CZ2 4.15Å; L852-W876 HydrophobicContact CG-CH2 4.13Å; L852-C936 HydrophobicContact CD1-CB 4.13Å; L852-Y938 HydrophobicContact CB-CD1 4.04Å; L852-Y938 HydrophobicContact CB-CE1 3.56Å; L852-Y938 HydrophobicContact CD1-CD1 4.31Å; L852-Y938 HydrophobicContact CD1-CD2 4.37Å; L852-Y938 HydrophobicContact CD1-CE1 3.79Å; L852-Y938 HydrophobicContact CD1-CE2 3.88Å; L852-Y938 HydrophobicContact CG-CE1 4.25Å
853F96.4Very high88.2Confident7 Ų743.6 Ų43.63%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-107.5-25.6177.274.1-92.4000113.3C600 L601 V607 E851 V867 K868 M937 Q939C600-F853 WeakPolarHBondContact O-CE2 3.46Å; L601-F853 HydrophobicContact CD2-CZ 4.26Å; V607-F853 HydrophobicContact CG1-CE1 4.4Å; V607-F853 HydrophobicContact CG1-CZ 4.22Å; E851-F853 PolarHBondContact O-N 3.06Å; F853-V867 WeakPolarHBondContact O-CA 3.43Å; F853-V867 WeakPolarHBondContact O-CG1 3.34Å; F853-K868 PolarHBondContact O-N 2.93Å; F853-M937 HydrophobicContact CD1-CB 4.31Å; F853-M937 WeakPolarHBondContact CD1-O 3.35Å; F853-M937 HydrophobicContact CE1-CB 3.69Å; F853-M937 HydrophobicContact CE2-CB 4.05Å; F853-M937 HydrophobicContact CZ-CB 3.55Å; F853-M937 HydrophobicContact CZ-SD 4.43Å; F853-M937 PolarHBondContact N-O 3.19Å; F853-Q939 HydrophobicContact CB-CG 4.28Å; F853-Q939 HydrophobicContact CD1-CB 3.67Å; F853-Q939 HydrophobicContact CD1-CG 3.75Å; F853-Q939 HydrophobicContact CE1-CB 3.93Å; F853-Q939 HydrophobicContact CE1-CG 4.49Å; F853-Q939 HydrophobicContact CG-CG 4.32Å
854A98.1Very high90.3Very high0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-151.4152.6175.500000113.4C600 F866 V867 M937C600-A854 HydrophobicContact CB-CB 3.71Å; A854-F866 CarbonylContact C-O 3.52Å; A854-F866 VanDerWaalsContact CA-O 3.23Å; A854-F866 WeakPolarHBondContact CA-O 3.49Å; A854-V867 HydrophobicContact CB-CG2 4.21Å; A854-M937 HydrophobicContact CB-CB 4.24Å; A854-M937 HydrophobicContact CB-SD 4.42Å; A854-M937 PolarHBondContact N-O 2.97Å; A854-M937 PolarHBondContact O-N 2.89Å
855V98.6Very high92Very high0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-130.1116.5166.3-173.80000108.8P762 L852 F866 L929 A933 M935P762-V855 HydrophobicContact CB-CG2 4.13Å; L852-V855 HydrophobicContact CD1-CG2 3.84Å; L852-V855 HydrophobicContact CD2-CG2 3.95Å; L852-V855 HydrophobicContact CG-CG2 4.27Å; V855-F866 HydrophobicContact CB-CB 4.48Å; V855-F866 PolarHBondContact N-O 3.12Å; V855-F866 PolarHBondContact O-N 2.87Å; V855-L929 HydrophobicContact CB-CD1 3.6Å; V855-L929 HydrophobicContact CG1-CD1 3.9Å; V855-L929 HydrophobicContact CG2-CD1 3.76Å; V855-A933 HydrophobicContact CG1-CB 3.88Å; V855-M935 CarbonylContact C-O 3.52Å; V855-M935 WeakPolarHBondContact CA-O 3.15Å
856L98.4Very high93.2Very high0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-89.7130.7174-171.4141.2000108.6T597 P673 Y863 Y934 M935 M937T597-L856 VanDerWaalsContact OG1-CD1 3.23Å; T597-L856 WeakPolarHBondContact OG1-CD1 3.47Å; P673-L856 HydrophobicContact CG-CD2 3.98Å; L856-Y863 HydrophobicContact CD2-CD1 3.46Å; L856-Y863 VanDerWaalsContact CD2-CD1 3.46Å; L856-Y863 HydrophobicContact CD2-CE1 4Å; L856-Y863 HydrophobicContact CD2-CG 4.34Å; L856-Y934 HydrophobicContact CD2-CD1 3.8Å; L856-Y934 WeakPolarHBondContact O-CA 3.41Å; L856-Y934 WeakPolarHBondContact O-CB 3.44Å; L856-Y934 PolarHBondContact O-N 2.8Å; L856-M935 HydrophobicContact CB-CB 4.34Å; L856-M935 PolarHBondContact N-O 2.73Å; L856-M935 PolarHBondContact O-N 3.3Å; L856-M937 HydrophobicContact CB-CE 4.17Å; L856-M937 HydrophobicContact CD1-CE 4.36Å
857C97.4Very high94.1Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-126147-168.7-61.10000111.9Y863 V864 F866 D932C857-Y863 WeakPolarHBondContact O-CA 3.42Å; C857-V864 HydrophobicContact CB-CG2 3.94Å; C857-V864 PolarHBondContact N-O 3.05Å; C857-V864 PolarHBondContact O-N 2.84Å; C857-F866 HydrophobicContact CB-CE2 4.35Å; C857-F866 VanDerWaalsContact SG-CD2 3.59Å; C857-D932 CarbonylContact C-O 3.54Å; C857-D932 WeakPolarHBondContact CA-O 3.42Å; C857-D932 HydrophobicContact CB-CB 4.21Å; C857-D932 WeakPolarHBondContact CB-O 3.41Å
858I94.6Very high94.5Very high12 Ų1227.3 Ų27.36%0.06214%0.135CC..EExtended strand (participates in β ladder)trans-140.2132170.2-170.5167.4000110.8R749 Y863 D932 Y934R749-I858 VanDerWaalsContact CZ-O 3.31Å; R749-I858 PolarHBondContact NH1-O 3.31Å; R749-I858 PolarHBondContact NH2-O 3.04Å; I858-Y863 HydrophobicContact CB-CD1 3.7Å; I858-Y863 HydrophobicContact CB-CE1 3.71Å; I858-Y863 HydrophobicContact CB-CG 4.45Å; I858-Y863 HydrophobicContact CD1-CD1 4.02Å; I858-Y863 HydrophobicContact CD1-CD2 4.09Å; I858-Y863 HydrophobicContact CD1-CE1 3.65Å; I858-Y863 HydrophobicContact CD1-CE2 3.73Å; I858-Y863 HydrophobicContact CD1-CG 4.24Å; I858-Y863 VanDerWaalsContact CD1-CZ 3.5Å; I858-Y863 HydrophobicContact CG1-CD1 4.27Å; I858-Y863 HydrophobicContact CG1-CE1 4.23Å; I858-Y863 HydrophobicContact CG2-CD1 4.37Å; I858-Y863 HydrophobicContact CG2-CE1 3.92Å; I858-D932 PolarHBondContact N-O 3.13Å; I858-D932 WeakPolarHBondContact O-CB 3.2Å; I858-Y934 HydrophobicContact CG2-CD2 4.45Å; I858-Y934 HydrophobicContact CG2-CG 4.22Å
859E85.9Confident94.6Very high59 Ų5927.3 Ų27.328%0.27613%0.133SC..SBendtrans-88.5-55.3174.6-168.9156.5-165.200110.3R927 R928E859-R927 IonicContact OE1-CZ 3.39Å; E859-R927 IonicContact OE1-NH1 2.68Å; E859-R927 PolarHBondContact OE1-NH1 2.86Å; E859-R927 IonicContact OE1-NH2 3.83Å; E859-R927 PolarHBondContact OE1-NH2 3.35Å; E859-R927 IonicContact OE2-NH1 3.63Å; E859-R928 IonicContact OE2-CZ 2.68Å; E859-R928 IonicContact OE2-NE 3.49Å; E859-R928 PolarHBondContact OE2-NE 3.3Å; E859-R928 IonicContact OE2-NH2 3.87Å
860T80.9Confident94.3Very high88 Ų8822.6 Ų22.654%0.5412%0.121SC..SBendtrans-137.8-58.7176.852.20000113.7K752K752-T860 WeakPolarHBondContact CD-O 3.05Å
861S86.4Confident93.9Very high64 Ų6427.1 Ų27.145%0.44815%0.153SC..SBendtrans-149.831.1-17568.90000113.3E670E670-S861 VanDerWaalsContact OE1-CA 3.24Å; E670-S861 WeakPolarHBondContact OE1-CA 3.47Å
862H93.3Very high93.5Very high44 Ų4425.6 Ų25.620%0.20415%0.152CC..  trans-148114.6177.8-175.141.4000110.9C592 D880C592-H862 VanDerWaalsContact CB-ND1 3.25Å; C592-H862 WeakPolarHBondContact CB-ND1 3.48Å; C592-H862 PolarHBondContact SG-ND1 2.98Å; C592-H862 VanDerWaalsContact SG-ND1 3.44Å; H862-D880 IonicContact CD2-OD1 3.32Å; H862-D880 IonicContact CD2-OD2 3.59Å; H862-D880 IonicContact CE1-OD1 3.63Å; H862-D880 PolarHBondContact CE1-OD1 2.9Å; H862-D880 VanDerWaalsContact NE2-CG 3.26Å; H862-D880 IonicContact NE2-OD1 2.68Å; H862-D880 PolarHBondContact NE2-OD1 3.18Å; H862-D880 IonicContact NE2-OD2 3.2Å; H862-D880 PolarHBondContact NE2-OD2 3.21Å; H862-D880 VanDerWaalsContact NE2-OD2 3.15Å
863Y97.3Very high93Very high14 Ų1428.7 Ų28.76%0.05517%0.168CC..EExtended strand (participates in β ladder)trans-85.8126.7-177.8-70.6-77.9000111.9S596 E670 P673 L856 C857 I858 Y934S596-Y863 PolarHBondContact OG-O 2.72Å; E670-Y863 HydrophobicContact CG-CE2 4.45Å; P673-Y863 WeakPolarHBondContact CD-OH 3.27Å; P673-Y863 HydrophobicContact CG-CD1 4.15Å; P673-Y863 HydrophobicContact CG-CE1 3.79Å; P673-Y863 HydrophobicContact CG-CE2 4.32Å; L856-Y863 HydrophobicContact CD2-CD1 3.46Å; L856-Y863 VanDerWaalsContact CD2-CD1 3.46Å; L856-Y863 HydrophobicContact CD2-CE1 4Å; L856-Y863 HydrophobicContact CD2-CG 4.34Å; C857-Y863 WeakPolarHBondContact O-CA 3.42Å; I858-Y863 HydrophobicContact CB-CD1 3.7Å; I858-Y863 HydrophobicContact CB-CE1 3.71Å; I858-Y863 HydrophobicContact CB-CG 4.45Å; I858-Y863 HydrophobicContact CD1-CD1 4.02Å; I858-Y863 HydrophobicContact CD1-CD2 4.09Å; I858-Y863 HydrophobicContact CD1-CE1 3.65Å; I858-Y863 HydrophobicContact CD1-CE2 3.73Å; I858-Y863 HydrophobicContact CD1-CG 4.24Å; I858-Y863 VanDerWaalsContact CD1-CZ 3.5Å; I858-Y863 HydrophobicContact CG1-CD1 4.27Å; I858-Y863 HydrophobicContact CG1-CE1 4.23Å; I858-Y863 HydrophobicContact CG2-CD1 4.37Å; I858-Y863 HydrophobicContact CG2-CE1 3.92Å; Y863-Y934 HydrophobicContact CD1-CD1 4.43Å; Y863-Y934 AromaticContact CE1-CD1 3.66Å; Y863-Y934 HydrophobicContact CE1-CD1 3.66Å; Y863-Y934 HydrophobicContact CE1-CE1 4.05Å; Y863-Y934 HydrophobicContact CE1-CG 4.22Å
864V98.2Very high92.7Very high0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-125.1161.5176.5-62.90000110.8S596 C857 F878 F879 D880S596-V864 WeakPolarHBondContact OG-CA 3.46Å; C857-V864 HydrophobicContact CB-CG2 3.94Å; C857-V864 PolarHBondContact N-O 3.05Å; C857-V864 PolarHBondContact O-N 2.84Å; V864-F878 HydrophobicContact CB-CE2 3.82Å; V864-F878 HydrophobicContact CB-CZ 4Å; V864-F878 HydrophobicContact CG1-CE2 4.39Å; V864-F878 HydrophobicContact CG1-CZ 4.08Å; V864-F878 HydrophobicContact CG2-CE2 3.7Å; V864-F878 HydrophobicContact CG2-CZ 4.18Å; V864-F879 WeakPolarHBondContact CB-O 3.21Å; V864-D880 HydrophobicContact CG1-CB 3.97Å; V864-D880 WeakPolarHBondContact CG1-OD2 3.22Å
865A98.7Very high92.5Very high0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-120138.9-177.900000112.5F599 C600 V867 F878 F879F599-A865 HydrophobicContact CD1-CB 4.08Å; C600-A865 WeakPolarHBondContact SG-CB 3.27Å; A865-V867 HydrophobicContact CB-CG2 4.34Å; A865-F878 CarbonylContact O-C 3.57Å; A865-F878 WeakPolarHBondContact O-CA 3.25Å; A865-F879 HydrophobicContact CB-CB 4.31Å; A865-F879 HydrophobicContact CB-CD1 4.02Å; A865-F879 PolarHBondContact N-O 2.79Å; A865-F879 PolarHBondContact O-N 3.36Å
866F98.6Very high92.3Very high0 Ų030.5 Ų30.50%018%0.182CC..EExtended strand (participates in β ladder)trans-105.6130.7157.2-65.6-98.9000107.8A854 V855 C857 W876 L877 F878 V903 Q925 R928 L929A854-F866 CarbonylContact C-O 3.52Å; A854-F866 VanDerWaalsContact CA-O 3.23Å; A854-F866 WeakPolarHBondContact CA-O 3.49Å; V855-F866 HydrophobicContact CB-CB 4.48Å; V855-F866 PolarHBondContact N-O 3.12Å; V855-F866 PolarHBondContact O-N 2.87Å; C857-F866 HydrophobicContact CB-CE2 4.35Å; C857-F866 VanDerWaalsContact SG-CD2 3.59Å; F866-W876 HydrophobicContact CB-CE3 4.07Å; F866-W876 HydrophobicContact CB-CZ3 4.02Å; F866-L877 CarbonylContact C-O 3.59Å; F866-L877 WeakPolarHBondContact CA-O 3.47Å; F866-F878 HydrophobicContact CD1-CB 4.49Å; F866-F878 HydrophobicContact CD1-CD2 4.23Å; F866-F878 HydrophobicContact CD2-CD2 4.35Å; F866-F878 HydrophobicContact CE1-CB 4.31Å; F866-F878 AromaticContact CE1-CD2 3.7Å; F866-F878 HydrophobicContact CE1-CD2 3.7Å; F866-F878 HydrophobicContact CE1-CG 4.44Å; F866-F878 AromaticContact CE2-CD2 3.83Å; F866-F878 HydrophobicContact CE2-CD2 3.83Å; F866-F878 HydrophobicContact CE2-CE2 4.04Å; F866-F878 AromaticContact CZ-CD2 3.46Å; F866-F878 HydrophobicContact CZ-CD2 3.46Å; F866-F878 VanDerWaalsContact CZ-CD2 3.46Å; F866-F878 AromaticContact CZ-CE2 3.89Å; F866-F878 HydrophobicContact CZ-CE2 3.89Å; F866-V903 HydrophobicContact CD1-CG2 4.34Å; F866-V903 HydrophobicContact CE1-CG2 4.28Å; F866-Q925 HydrophobicContact CE1-CB 3.69Å; F866-Q925 HydrophobicContact CZ-CB 3.84Å; F866-Q925 WeakPolarHBondContact CZ-O 3.45Å; F866-R928 HydrophobicContact CE2-CB 4.17Å; F866-R928 HydrophobicContact CZ-CB 4.1Å; F866-L929 HydrophobicContact CB-CD1 3.99Å; F866-L929 HydrophobicContact CD1-CB 4.17Å; F866-L929 HydrophobicContact CD1-CD1 4.32Å; F866-L929 HydrophobicContact CD2-CB 4.2Å; F866-L929 HydrophobicContact CD2-CD1 3.94Å; F866-L929 HydrophobicContact CE1-CB 3.94Å; F866-L929 HydrophobicContact CE2-CB 3.99Å; F866-L929 HydrophobicContact CG-CB 4.3Å; F866-L929 HydrophobicContact CG-CD1 3.83Å; F866-L929 HydrophobicContact CZ-CB 3.86Å
867V97.4Very high92.3Very high1 Ų130.5 Ų30.51%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-130.5133.2178-172.50000109.7F599 F604 F853 A854 A865 L877F599-V867 HydrophobicContact CD1-CG2 3.65Å; F599-V867 HydrophobicContact CE1-CB 4.31Å; F599-V867 HydrophobicContact CE1-CG2 3.67Å; F604-V867 HydrophobicContact CB-CG1 4.24Å; F604-V867 HydrophobicContact CD2-CG1 3.87Å; F853-V867 WeakPolarHBondContact O-CA 3.43Å; F853-V867 WeakPolarHBondContact O-CG1 3.34Å; A854-V867 HydrophobicContact CB-CG2 4.21Å; A865-V867 HydrophobicContact CB-CG2 4.34Å; V867-L877 PolarHBondContact N-O 2.94Å; V867-L877 PolarHBondContact O-N 2.93Å
868K94.2Very high92.3Very high40 Ų4031 Ų3117%0.17418%0.184CC..EExtended strand (participates in β ladder)trans-87.3120.1172.1-156.5-174.6-174.1-118.40108.7F853 G870 S871 A872 A875 W876F853-K868 PolarHBondContact O-N 2.93Å; K868-G870 WeakPolarHBondContact CE-O 3.41Å; K868-G870 PolarHBondContact NZ-O 2.89Å; K868-S871 VanDerWaalsContact NZ-C 3.35Å; K868-S871 PolarHBondContact NZ-O 3.26Å; K868-A872 VanDerWaalsContact CE-O 3.23Å; K868-A872 WeakPolarHBondContact CE-O 3.37Å; K868-A872 PolarHBondContact NZ-O 2.88Å; K868-A875 CarbonylContact C-O 3.54Å; K868-A875 VanDerWaalsContact CA-O 3.26Å; K868-A875 WeakPolarHBondContact CA-O 3.24Å; K868-A875 WeakPolarHBondContact CG-O 3.46Å; K868-W876 HydrophobicContact CB-CD2 4.35Å; K868-W876 HydrophobicContact CB-CE3 4.22Å; K868-W876 HydrophobicContact CB-CH2 4.04Å; K868-W876 HydrophobicContact CB-CZ2 4.16Å; K868-W876 HydrophobicContact CB-CZ3 4.07Å; K868-W876 HydrophobicContact CD-CZ2 4.21Å; K868-W876 HydrophobicContact CG-CD2 4.37Å; K868-W876 HydrophobicContact CG-CZ2 4.22Å
869Y91.1Very high92.5Very high55 Ų5530.4 Ų30.422%0.21618%0.181CC..  trans-102.1-4.8-175.368.2-94.1000113.9L575 A875 L877L575-Y869 HydrophobicContact CD1-CD2 3.71Å; L575-Y869 HydrophobicContact CD1-CE2 4.12Å; L575-Y869 HydrophobicContact CD1-CG 4.19Å; L575-Y869 HydrophobicContact CD2-CD1 3.99Å; L575-Y869 HydrophobicContact CD2-CD2 3.75Å; L575-Y869 HydrophobicContact CD2-CE1 3.74Å; L575-Y869 HydrophobicContact CD2-CE2 3.54Å; L575-Y869 HydrophobicContact CD2-CG 3.97Å; L575-Y869 HydrophobicContact CG-CD2 4.41Å; L575-Y869 HydrophobicContact CG-CE2 4.48Å; Y869-A875 HydrophobicContact CD1-CB 4.15Å; Y869-A875 WeakPolarHBondContact CD1-O 3.39Å; Y869-A875 HydrophobicContact CD2-CB 4.24Å; Y869-A875 HydrophobicContact CE1-CB 3.91Å; Y869-A875 WeakPolarHBondContact CE1-O 3.37Å; Y869-A875 HydrophobicContact CE2-CB 3.95Å; Y869-A875 HydrophobicContact CG-CB 4.33Å; Y869-A875 PolarHBondContact N-O 2.77Å; Y869-L877 HydrophobicContact CD1-CD1 4.08Å; Y869-L877 HydrophobicContact CD1-CD2 4.39Å; Y869-L877 HydrophobicContact CD1-CG 3.67Å; Y869-L877 HydrophobicContact CE1-CD2 4.26Å; Y869-L877 HydrophobicContact CE1-CG 4.02Å
870G87.1Confident93.1Very high19 Ų1928.5 Ų28.520%0.19617%0.173CC..SBendtrans-153.3175.6-172.100000113.8K868K868-G870 WeakPolarHBondContact CE-O 3.41Å; K868-G870 PolarHBondContact NZ-O 2.89Å
871S85.6Confident93.8Very high96 Ų9624.3 Ų24.367%0.67115%0.147SC*.SBendtrans-72.6-36.1176.965.10000112.2E571 K868E571-S871 VanDerWaalsContact CD-N 3.31Å; E571-S871 PolarHBondContact OE1-N 3.03Å; E571-S871 WeakPolarHBondContact OE2-CB 3.22Å; E571-S871 PolarHBondContact OE2-N 3.32Å; E571-S871 PolarHBondContact OE2-OG 3.25Å; K868-S871 VanDerWaalsContact NZ-C 3.35Å; K868-S871 PolarHBondContact NZ-O 3.26Å
872A87.5Confident94.2Very high36 Ų3623.5 Ų23.530%0.29814%0.137SC..SBendtrans-61.4151.1-178.100000113.5E571 K868 S874 A875E571-A872 VanDerWaalsContact OE1-CB 3.29Å; E571-A872 WeakPolarHBondContact OE1-CB 3.39Å; E571-A872 PolarHBondContact OE1-N 3.25Å; K868-A872 VanDerWaalsContact CE-O 3.23Å; K868-A872 WeakPolarHBondContact CE-O 3.37Å; K868-A872 PolarHBondContact NZ-O 2.88Å; A872-S874 PolarHBondContact O-N 3.01Å; A872-A875 HydrophobicContact CB-CB 4.32Å; A872-A875 VanDerWaalsContact O-CB 3.3Å; A872-A875 WeakPolarHBondContact O-CB 3.23Å; A872-A875 PolarHBondContact O-N 3.41Å
873D88.1Confident94.1Very high68 Ų6823.5 Ų23.536%0.36414%0.144SC..THydrogen-bonded Turntrans-66.6-27.2-179.1-52.9-45.6000112.5W876 E904 K908D873-W876 VanDerWaalsContact O-CD1 3.23Å; D873-W876 PolarHBondContact O-NE1 2.62Å; D873-E904 HydrophobicContact CB-CG 3.78Å; D873-K908 WeakPolarHBondContact OD2-CE 3.49Å; D873-K908 IonicContact OD2-NZ 2.74Å; D873-K908 PolarHBondContact OD2-NZ 3.06Å
874S90Very high93.7Very high43 Ų4325.7 Ų25.730%0.30116%0.157SC..THydrogen-bonded Turntrans-81.6-6.8176.8600000114.7A872 W876 E904A872-S874 PolarHBondContact O-N 3.01Å; S874-W876 PolarHBondContact O-N 3.03Å; S874-E904 WeakPolarHBondContact CB-OE2 3.47Å
875A92.9Very high93Very high0 Ų031.6 Ų31.60%018%0.179CC..  trans-78.656.7-169.200000113.4K868 Y869 A872K868-A875 CarbonylContact C-O 3.54Å; K868-A875 VanDerWaalsContact CA-O 3.26Å; K868-A875 WeakPolarHBondContact CA-O 3.24Å; K868-A875 WeakPolarHBondContact CG-O 3.46Å; Y869-A875 HydrophobicContact CD1-CB 4.15Å; Y869-A875 WeakPolarHBondContact CD1-O 3.39Å; Y869-A875 HydrophobicContact CD2-CB 4.24Å; Y869-A875 HydrophobicContact CE1-CB 3.91Å; Y869-A875 WeakPolarHBondContact CE1-O 3.37Å; Y869-A875 HydrophobicContact CE2-CB 3.95Å; Y869-A875 HydrophobicContact CG-CB 4.33Å; Y869-A875 PolarHBondContact N-O 2.77Å; A872-A875 HydrophobicContact CB-CB 4.32Å; A872-A875 VanDerWaalsContact O-CB 3.3Å; A872-A875 WeakPolarHBondContact O-CB 3.23Å; A872-A875 PolarHBondContact O-N 3.41Å
876W95.6Very high91.5Very high1 Ų135.6 Ų35.60%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-114.1133.7-178-72.797.7000113.1L764 L852 F866 K868 D873 S874 C900 V903 L907L764-W876 HydrophobicContact CD2-CZ2 3.81Å; L852-W876 HydrophobicContact CD2-CH2 3.73Å; L852-W876 HydrophobicContact CD2-CZ2 4.15Å; L852-W876 HydrophobicContact CG-CH2 4.13Å; F866-W876 HydrophobicContact CB-CE3 4.07Å; F866-W876 HydrophobicContact CB-CZ3 4.02Å; K868-W876 HydrophobicContact CB-CD2 4.35Å; K868-W876 HydrophobicContact CB-CE3 4.22Å; K868-W876 HydrophobicContact CB-CH2 4.04Å; K868-W876 HydrophobicContact CB-CZ2 4.16Å; K868-W876 HydrophobicContact CB-CZ3 4.07Å; K868-W876 HydrophobicContact CD-CZ2 4.21Å; K868-W876 HydrophobicContact CG-CD2 4.37Å; K868-W876 HydrophobicContact CG-CZ2 4.22Å; D873-W876 VanDerWaalsContact O-CD1 3.23Å; D873-W876 PolarHBondContact O-NE1 2.62Å; S874-W876 PolarHBondContact O-N 3.03Å; W876-C900 PolarHBondContact O-N 3Å; W876-C900 VanDerWaalsContact O-N 3.11Å; W876-V903 HydrophobicContact CB-CB 4.35Å; W876-V903 HydrophobicContact CB-CG1 4.45Å; W876-V903 HydrophobicContact CD2-CG1 3.96Å; W876-V903 HydrophobicContact CG-CB 4.15Å; W876-V903 HydrophobicContact CG-CG1 3.77Å; W876-L907 HydrophobicContact CZ2-CD1 4.02Å
877L96.8Very high89.8Confident0 Ų037.8 Ų37.80%022%0.223CC..EExtended strand (participates in β ladder)trans-115.6136.9167.9-65.2175.7000110.2L575 V579 F604 F866 V867 Y869 V897 P899L575-L877 HydrophobicContact CD2-CD1 4.11Å; L575-L877 HydrophobicContact CD2-CD2 4.16Å; L575-L877 HydrophobicContact CD2-CG 4.43Å; V579-L877 HydrophobicContact CG2-CD1 4.26Å; V579-L877 HydrophobicContact CG2-CD2 3.65Å; F604-L877 HydrophobicContact CE2-CD1 3.57Å; F604-L877 HydrophobicContact CZ-CD1 3.63Å; F866-L877 CarbonylContact C-O 3.59Å; F866-L877 WeakPolarHBondContact CA-O 3.47Å; V867-L877 PolarHBondContact N-O 2.94Å; V867-L877 PolarHBondContact O-N 2.93Å; Y869-L877 HydrophobicContact CD1-CD1 4.08Å; Y869-L877 HydrophobicContact CD1-CD2 4.39Å; Y869-L877 HydrophobicContact CD1-CG 3.67Å; Y869-L877 HydrophobicContact CE1-CD2 4.26Å; Y869-L877 HydrophobicContact CE1-CG 4.02Å; L877-V897 HydrophobicContact CB-CG1 4.07Å; L877-V897 HydrophobicContact CD1-CG1 3.88Å; L877-V897 HydrophobicContact CD2-CG1 4.2Å; L877-V897 HydrophobicContact CG-CG1 4.26Å; L877-P899 HydrophobicContact CD2-CB 4.35Å; L877-P899 HydrophobicContact CD2-CG 4.33Å
878F98.4Very high87.7Confident10 Ų1040.1 Ų40.14%0.04425%0.248CC..EExtended strand (participates in β ladder)trans-96.4135.3165.7174.9-101.6000109.4V864 A865 F866 D880 V897 S898 C900 Q925V864-F878 HydrophobicContact CB-CE2 3.82Å; V864-F878 HydrophobicContact CB-CZ 4Å; V864-F878 HydrophobicContact CG1-CE2 4.39Å; V864-F878 HydrophobicContact CG1-CZ 4.08Å; V864-F878 HydrophobicContact CG2-CE2 3.7Å; V864-F878 HydrophobicContact CG2-CZ 4.18Å; A865-F878 CarbonylContact O-C 3.57Å; A865-F878 WeakPolarHBondContact O-CA 3.25Å; F866-F878 HydrophobicContact CD1-CB 4.49Å; F866-F878 HydrophobicContact CD1-CD2 4.23Å; F866-F878 HydrophobicContact CD2-CD2 4.35Å; F866-F878 HydrophobicContact CE1-CB 4.31Å; F866-F878 AromaticContact CE1-CD2 3.7Å; F866-F878 HydrophobicContact CE1-CD2 3.7Å; F866-F878 HydrophobicContact CE1-CG 4.44Å; F866-F878 AromaticContact CE2-CD2 3.83Å; F866-F878 HydrophobicContact CE2-CD2 3.83Å; F866-F878 HydrophobicContact CE2-CE2 4.04Å; F866-F878 AromaticContact CZ-CD2 3.46Å; F866-F878 HydrophobicContact CZ-CD2 3.46Å; F866-F878 VanDerWaalsContact CZ-CD2 3.46Å; F866-F878 AromaticContact CZ-CE2 3.89Å; F866-F878 HydrophobicContact CZ-CE2 3.89Å; F878-D880 HydrophobicContact CE1-CB 3.86Å; F878-D880 HydrophobicContact CZ-CB 4.09Å; F878-V897 CarbonylContact O-C 3.54Å; F878-V897 WeakPolarHBondContact O-CA 3.45Å; F878-S898 PolarHBondContact N-O 2.95Å; F878-S898 PolarHBondContact O-N 3.36Å; F878-C900 HydrophobicContact CB-CB 4.26Å; F878-C900 PolarHBondContact N-SG 3.45Å; F878-C900 VanDerWaalsContact N-SG 3.43Å; F878-Q925 HydrophobicContact CB-CB 4.33Å; F878-Q925 HydrophobicContact CB-CG 4.11Å; F878-Q925 HydrophobicContact CD1-CG 3.83Å; F878-Q925 HydrophobicContact CD2-CB 4.03Å; F878-Q925 HydrophobicContact CD2-CG 4.01Å; F878-Q925 HydrophobicContact CE1-CG 4.24Å; F878-Q925 HydrophobicContact CE2-CG 4.38Å; F878-Q925 HydrophobicContact CG-CB 4.11Å; F878-Q925 HydrophobicContact CG-CG 3.7Å; F878-Q925 HydrophobicContact CZ-CG 4.49Å
879F98.5Very high85.5Confident0 Ų044.5 Ų44.50%027%0.269CS..EExtended strand (participates in β ladder)trans-128.1132.5177163.6-109.3000111.2I585 D595 F599 V864 A865 P895 Q896 V897I585-F879 HydrophobicContact CB-CZ 4.04Å; I585-F879 VanDerWaalsContact N-CE2 3.35Å; I585-F879 VanDerWaalsContact O-CZ 3.3Å; I585-F879 WeakPolarHBondContact O-CZ 3.37Å; D595-F879 HydrophobicContact CB-CE1 4.41Å; D595-F879 HydrophobicContact CB-CZ 4.42Å; F599-F879 HydrophobicContact CB-CD1 3.54Å; F599-F879 HydrophobicContact CB-CE1 3.59Å; F599-F879 HydrophobicContact CB-CG 4.35Å; F599-F879 HydrophobicContact CB-CZ 4.43Å; F599-F879 HydrophobicContact CD1-CB 3.63Å; F599-F879 AromaticContact CD1-CD1 3.61Å; F599-F879 HydrophobicContact CD1-CD1 3.61Å; F599-F879 HydrophobicContact CD1-CE1 4.47Å; F599-F879 AromaticContact CD1-CG 3.71Å; F599-F879 HydrophobicContact CD1-CG 3.71Å; F599-F879 AromaticContact CD2-CD1 3.97Å; F599-F879 HydrophobicContact CD2-CD1 3.97Å; F599-F879 HydrophobicContact CD2-CD2 4.18Å; F599-F879 HydrophobicContact CD2-CE1 4.21Å; F599-F879 HydrophobicContact CD2-CE2 4.42Å; F599-F879 AromaticContact CD2-CG 3.94Å; F599-F879 HydrophobicContact CD2-CG 3.94Å; F599-F879 HydrophobicContact CD2-CZ 4.42Å; F599-F879 HydrophobicContact CE1-CB 3.47Å; F599-F879 VanDerWaalsContact CE1-CB 3.47Å; F599-F879 HydrophobicContact CE1-CD1 4.31Å; F599-F879 AromaticContact CE1-CG 3.93Å; F599-F879 HydrophobicContact CE1-CG 3.93Å; F599-F879 HydrophobicContact CE2-CB 4.4Å; F599-F879 HydrophobicContact CE2-CD2 4.23Å; F599-F879 HydrophobicContact CE2-CG 4.14Å; F599-F879 HydrophobicContact CG-CB 4.18Å; F599-F879 AromaticContact CG-CD1 3.41Å; F599-F879 HydrophobicContact CG-CD1 3.41Å; F599-F879 VanDerWaalsContact CG-CD1 3.41Å; F599-F879 HydrophobicContact CG-CD2 4.4Å; F599-F879 AromaticContact CG-CE1 3.85Å; F599-F879 HydrophobicContact CG-CE1 3.85Å; F599-F879 AromaticContact CG-CG 3.72Å; F599-F879 HydrophobicContact CG-CG 3.72Å; F599-F879 HydrophobicContact CG-CZ 4.5Å; F599-F879 HydrophobicContact CZ-CB 3.89Å; F599-F879 HydrophobicContact CZ-CG 4.14Å; V864-F879 WeakPolarHBondContact CB-O 3.21Å; A865-F879 HydrophobicContact CB-CB 4.31Å; A865-F879 HydrophobicContact CB-CD1 4.02Å; A865-F879 PolarHBondContact N-O 2.79Å; A865-F879 PolarHBondContact O-N 3.36Å; F879-P895 HydrophobicContact CE2-CB 4.1Å; F879-Q896 WeakPolarHBondContact CA-O 3.49Å; F879-V897 HydrophobicContact CB-CG2 4.25Å; F879-V897 HydrophobicContact CD2-CG2 3.75Å; F879-V897 HydrophobicContact CG-CG2 4.4Å
880D98.1Very high83.7Confident20 Ų2047 Ų4711%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-132.8123.5172.5-173.9-36.3000109.3H862 V864 F878 M882 A883 P895 Q896H862-D880 IonicContact CD2-OD1 3.32Å; H862-D880 IonicContact CD2-OD2 3.59Å; H862-D880 IonicContact CE1-OD1 3.63Å; H862-D880 PolarHBondContact CE1-OD1 2.9Å; H862-D880 VanDerWaalsContact NE2-CG 3.26Å; H862-D880 IonicContact NE2-OD1 2.68Å; H862-D880 PolarHBondContact NE2-OD1 3.18Å; H862-D880 IonicContact NE2-OD2 3.2Å; H862-D880 PolarHBondContact NE2-OD2 3.21Å; H862-D880 VanDerWaalsContact NE2-OD2 3.15Å; V864-D880 HydrophobicContact CG1-CB 3.97Å; V864-D880 WeakPolarHBondContact CG1-OD2 3.22Å; F878-D880 HydrophobicContact CE1-CB 3.86Å; F878-D880 HydrophobicContact CZ-CB 4.09Å; D880-M882 VanDerWaalsContact C-N 3.26Å; D880-M882 PolarHBondContact O-N 3.19Å; D880-M882 PolarHBondContact OD1-N 3.07Å; D880-A883 HydrophobicContact CB-CB 4.03Å; D880-A883 PolarHBondContact OD1-N 2.81Å; D880-P895 WeakPolarHBondContact O-CA 3.08Å; D880-Q896 PolarHBondContact N-O 2.96Å; D880-Q896 VanDerWaalsContact N-O 3.08Å; D880-Q896 PolarHBondContact O-N 2.8Å
881S96.8Very high82.5Confident0 Ų046.7 Ų46.70%028%0.283CS..EExtended strand (participates in β ladder)trans-75.6-11.9-175.777.10000114.1I585 G587 D595I585-S881 VanDerWaalsContact O-CB 3.27Å; I585-S881 WeakPolarHBondContact O-CB 3.33Å; G587-S881 PolarHBondContact N-O 3.31Å; D595-S881 VanDerWaalsContact OD2-CB 3.29Å; D595-S881 WeakPolarHBondContact OD2-CB 3.4Å; D595-S881 PolarHBondContact OD2-OG 3.16Å
882M93.3Very high82.1Confident47 Ų4743.1 Ų43.123%0.23226%0.255CS..EExtended strand (participates in β ladder)trans-134.228.5-176.5-49.6-166.7-160.800112.6C592 D880 D884 N893C592-M882 HydrophobicContact CB-CE 4.13Å; D880-M882 VanDerWaalsContact C-N 3.26Å; D880-M882 PolarHBondContact O-N 3.19Å; D880-M882 PolarHBondContact OD1-N 3.07Å; M882-D884 PolarHBondContact O-N 3.15Å; M882-D884 VanDerWaalsContact O-N 3.11Å; M882-N893 HydrophobicContact CB-CB 4.34Å; M882-N893 HydrophobicContact CG-CB 4.37Å; M882-N893 WeakPolarHBondContact CG-ND2 3.45Å; M882-N893 PolarHBondContact SD-ND2 2.66Å; M882-N893 VanDerWaalsContact SD-ND2 3.36Å
883A92.3Very high82.1Confident44 Ų4442.2 Ų42.236%0.36425%0.245SC..EExtended strand (participates in β ladder)trans-57-25.4-174.100000116D880 Q896D880-A883 HydrophobicContact CB-CB 4.03Å; D880-A883 PolarHBondContact OD1-N 2.81Å; A883-Q896 HydrophobicContact CB-CB 3.48Å; A883-Q896 VanDerWaalsContact CB-CB 3.48Å
884D89.3Confident82.1Confident60 Ų6039.9 Ų39.932%0.32123%0.233SC..EExtended strand (participates in β ladder)trans-152.8164.4-178-166.40.8000109.2K581 M882 N893 I894K581-D884 IonicContact NZ-OD2 2.83Å; K581-D884 PolarHBondContact NZ-OD2 3.2Å; M882-D884 PolarHBondContact O-N 3.15Å; M882-D884 VanDerWaalsContact O-N 3.11Å; D884-N893 CarbonylContact O-C 3.4Å; D884-N893 WeakPolarHBondContact O-CA 3.13Å; D884-I894 HydrophobicContact CB-CB 4.21Å; D884-I894 PolarHBondContact N-O 2.87Å; D884-I894 PolarHBondContact O-N 3.08Å
885R82.7Confident82.4Confident124 Ų12437.9 Ų37.947%0.46822%0.218SC..EExtended strand (participates in β ladder)trans-146.3126.4-174.1-167.6170.5-170.2-88.6-8.1112.7G887 G888 G891 N893R885-G887 PolarHBondContact NH1-O 3.04Å; R885-G888 VanDerWaalsContact CZ-O 3.28Å; R885-G888 PolarHBondContact NH1-O 2.77Å; R885-G888 PolarHBondContact NH2-O 2.64Å; R885-G891 PolarHBondContact NH2-O 3.37Å; R885-N893 WeakPolarHBondContact CD-OD1 3.43Å; R885-N893 PolarHBondContact NE-OD1 3.43Å
886D67.7Low82.6Confident83 Ų8340.6 Ų40.644%0.44423%0.231SC..EExtended strand (participates in β ladder)trans-103.5123.8176.8-171.13.8000110G891 F892 I894D886-G891 CarbonylContact O-C 3.46Å; D886-G891 WeakPolarHBondContact O-CA 3.49Å; D886-F892 HydrophobicContact CB-CD2 4.41Å; D886-F892 HydrophobicContact CB-CE1 4.35Å; D886-F892 HydrophobicContact CB-CE2 3.82Å; D886-F892 HydrophobicContact CB-CZ 3.78Å; D886-F892 PolarHBondContact N-O 3.35Å; D886-F892 PolarHBondContact O-N 2.83Å; D886-F892 WeakPolarHBondContact OD2-CZ 3.25Å; D886-I894 HydrophobicContact CB-CD1 3.98Å
887G61.9Low82.7Confident46 Ų4640.6 Ų40.647%0.47423%0.231SC..SBendtrans83.8168.3179.800000117R885R885-G887 PolarHBondContact NH1-O 3.04Å
888G53.2Low82.7Confident51 Ų5141.8 Ų41.853%0.52624%0.24SC..SBendtrans-83.5-127.2-178.200000114.2R885 N890 G891R885-G888 VanDerWaalsContact CZ-O 3.28Å; R885-G888 PolarHBondContact NH1-O 2.77Å; R885-G888 PolarHBondContact NH2-O 2.64Å; G888-N890 VanDerWaalsContact C-N 3.28Å; G888-N890 PolarHBondContact O-N 3.26Å; G888-G891 WeakPolarHBondContact O-CA 3.46Å; G888-G891 PolarHBondContact O-N 2.74Å
889Q47.9Very low82.5Confident131 Ų13144.9 Ų44.961%0.61226%0.261SS*.THydrogen-bonded Turntrans-57-38.5177.6-76168.9-40.800113E186 G891E186-Q889 PolarHBondContact OE1-NE2 3.47Å; E186-Q889 PolarHBondContact OE2-NE2 2.89Å; Q889-G891 VanDerWaalsContact C-N 3.26Å; Q889-G891 PolarHBondContact O-N 3.39Å
890N54.9Low82.3Confident107 Ų10744.9 Ų44.957%0.57226%0.261SS*.THydrogen-bonded Turntrans-869174.6-66.1-38.8000113.6R548 G888R548-N890 VanDerWaalsContact CZ-OD1 3.28Å; R548-N890 PolarHBondContact NE-OD1 3.28Å; R548-N890 PolarHBondContact NH2-OD1 2.59Å; G888-N890 VanDerWaalsContact C-N 3.28Å; G888-N890 PolarHBondContact O-N 3.26Å
891G61.8Low82.1Confident13 Ų1347.1 Ų47.113%0.13428%0.277CS..  trans-77.3160.9-177.200000114.5R885 D886 G888 Q889R885-G891 PolarHBondContact NH2-O 3.37Å; D886-G891 CarbonylContact O-C 3.46Å; D886-G891 WeakPolarHBondContact O-CA 3.49Å; G888-G891 WeakPolarHBondContact O-CA 3.46Å; G888-G891 PolarHBondContact O-N 2.74Å; Q889-G891 VanDerWaalsContact C-N 3.26Å; Q889-G891 PolarHBondContact O-N 3.39Å
892F75.8Confident81.9Confident21 Ų2149.6 Ų49.69%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-123.4151.1178.358.4-95.6000111.1F554 Y557 D886 I894F554-F892 HydrophobicContact CE1-CB 4.24Å; F554-F892 HydrophobicContact CZ-CB 3.8Å; F554-F892 HydrophobicContact CZ-CD1 4.39Å; F554-F892 HydrophobicContact CZ-CG 4.33Å; Y557-F892 HydrophobicContact CD1-CD2 4.45Å; Y557-F892 HydrophobicContact CD1-CE2 4.01Å; Y557-F892 HydrophobicContact CD2-CE2 4.24Å; Y557-F892 HydrophobicContact CD2-CZ 4.07Å; Y557-F892 HydrophobicContact CE1-CD2 4.3Å; Y557-F892 AromaticContact CE1-CE2 3.57Å; Y557-F892 HydrophobicContact CE1-CE2 3.57Å; Y557-F892 HydrophobicContact CE1-CZ 4.27Å; Y557-F892 AromaticContact CE2-CE2 3.81Å; Y557-F892 HydrophobicContact CE2-CE2 3.81Å; Y557-F892 AromaticContact CE2-CZ 3.63Å; Y557-F892 HydrophobicContact CE2-CZ 3.63Å; Y557-F892 HydrophobicContact CG-CE2 4.33Å; Y557-F892 AromaticContact CZ-CE2 3.44Å; Y557-F892 VanDerWaalsContact CZ-CE2 3.44Å; Y557-F892 AromaticContact CZ-CZ 3.73Å; D886-F892 HydrophobicContact CB-CD2 4.41Å; D886-F892 HydrophobicContact CB-CE1 4.35Å; D886-F892 HydrophobicContact CB-CE2 3.82Å; D886-F892 HydrophobicContact CB-CZ 3.78Å; D886-F892 PolarHBondContact N-O 3.35Å; D886-F892 PolarHBondContact O-N 2.83Å; D886-F892 WeakPolarHBondContact OD2-CZ 3.25Å; F892-I894 HydrophobicContact CD2-CG1 4.23Å; F892-I894 HydrophobicContact CE2-CD1 4.29Å; F892-I894 HydrophobicContact CE2-CG1 3.92Å
893N86.9Confident82Confident18 Ų1847.4 Ų47.410%0.09628%0.277CS..EExtended strand (participates in β ladder)trans-79.7148.1176.8-53.6-25.5000110Q586 G587 M882 D884 R885Q586-N893 WeakPolarHBondContact CG-O 3.25Å; Q586-N893 PolarHBondContact NE2-O 2.88Å; G587-N893 WeakPolarHBondContact O-CB 3.18Å; G587-N893 PolarHBondContact O-ND2 3.08Å; M882-N893 HydrophobicContact CB-CB 4.34Å; M882-N893 HydrophobicContact CG-CB 4.37Å; M882-N893 WeakPolarHBondContact CG-ND2 3.45Å; M882-N893 PolarHBondContact SD-ND2 2.66Å; M882-N893 VanDerWaalsContact SD-ND2 3.36Å; D884-N893 CarbonylContact O-C 3.4Å; D884-N893 WeakPolarHBondContact O-CA 3.13Å; R885-N893 WeakPolarHBondContact CD-OD1 3.43Å; R885-N893 PolarHBondContact NE-OD1 3.43Å
894I89.1Confident82Confident19 Ų1948.1 Ų48.110%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-111.2113.2174.1-65.1175.6000107.1Y557 K582 D884 D886 F892Y557-I894 HydrophobicContact CE1-CG1 4.39Å; K582-I894 HydrophobicContact CB-CG2 4.17Å; D884-I894 HydrophobicContact CB-CB 4.21Å; D884-I894 PolarHBondContact N-O 2.87Å; D884-I894 PolarHBondContact O-N 3.08Å; D886-I894 HydrophobicContact CB-CD1 3.98Å; F892-I894 HydrophobicContact CD2-CG1 4.23Å; F892-I894 HydrophobicContact CE2-CD1 4.29Å; F892-I894 HydrophobicContact CE2-CG1 3.92Å
895P96Very high82.2Confident0 Ų048.1 Ų48.10%028%0.281CS..EExtended strand (participates in β ladder)trans-75.3152.8177.935.1-38.4000110.3K582 K583 I585 Q586 Y644 F879 D880K582-P895 VanDerWaalsContact CA-O 3.28Å; K582-P895 WeakPolarHBondContact CA-O 3.49Å; K582-P895 PolarHBondContact N-O 2.83Å; K583-P895 PolarHBondContact N-O 3.16Å; K583-P895 VanDerWaalsContact N-O 3.17Å; K583-P895 CarbonylContact O-C 3.54Å; K583-P895 VanDerWaalsContact O-C 3.32Å; K583-P895 VanDerWaalsContact O-CB 3.25Å; K583-P895 WeakPolarHBondContact O-CB 3.48Å; K583-P895 WeakPolarHBondContact O-CG 3.23Å; I585-P895 WeakPolarHBondContact O-CB 3.37Å; Q586-P895 HydrophobicContact CB-CG 4.08Å; Y644-P895 HydrophobicContact CD2-CG 4.17Å; Y644-P895 HydrophobicContact CE2-CG 3.9Å; F879-P895 HydrophobicContact CE2-CB 4.1Å; D880-P895 WeakPolarHBondContact O-CA 3.08Å
896Q97.2Very high82.8Confident57 Ų5743.6 Ų43.627%0.26627%0.265SS..EExtended strand (participates in β ladder)trans-131.4137.8178.2-171.5175.2-64.100111K581 F879 D880 A883K581-Q896 VanDerWaalsContact CE-OE1 3.22Å; K581-Q896 HydrophobicContact CG-CG 4.2Å; F879-Q896 WeakPolarHBondContact CA-O 3.49Å; D880-Q896 PolarHBondContact N-O 2.96Å; D880-Q896 VanDerWaalsContact N-O 3.08Å; D880-Q896 PolarHBondContact O-N 2.8Å; A883-Q896 HydrophobicContact CB-CB 3.48Å; A883-Q896 VanDerWaalsContact CB-CB 3.48Å
897V98Very high84.1Confident1 Ų140.3 Ų40.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-115.7122.7166177.40000107.4M578 V579 G580 K583 F599 L877 F878 F879M578-V897 VanDerWaalsContact O-CB 3.29Å; M578-V897 WeakPolarHBondContact O-CB 3.25Å; M578-V897 WeakPolarHBondContact O-CG1 3.19Å; V579-V897 HydrophobicContact CG2-CG1 4.43Å; G580-V897 PolarHBondContact N-O 2.83Å; G580-V897 PolarHBondContact O-N 2.65Å; K583-V897 HydrophobicContact CB-CB 4.03Å; K583-V897 HydrophobicContact CB-CG2 3.93Å; F599-V897 HydrophobicContact CE2-CG2 3.95Å; F599-V897 HydrophobicContact CZ-CG1 4.41Å; F599-V897 HydrophobicContact CZ-CG2 3.84Å; L877-V897 HydrophobicContact CB-CG1 4.07Å; L877-V897 HydrophobicContact CD1-CG1 3.88Å; L877-V897 HydrophobicContact CD2-CG1 4.2Å; L877-V897 HydrophobicContact CG-CG1 4.26Å; F878-V897 CarbonylContact O-C 3.54Å; F878-V897 WeakPolarHBondContact O-CA 3.45Å; F879-V897 HydrophobicContact CB-CG2 4.25Å; F879-V897 HydrophobicContact CD2-CG2 3.75Å; F879-V897 HydrophobicContact CG-CG2 4.4Å
898S95.9Very high85.7Confident25 Ų2543.8 Ų43.818%0.17525%0.249CC..EExtended strand (participates in β ladder)trans-127.7140.4-179.250.30000111.3F878F878-S898 PolarHBondContact N-O 2.95Å; F878-S898 PolarHBondContact O-N 3.36Å
899P95.1Very high87.6Confident75 Ų7543.9 Ų43.949%0.48724%0.236SC..EExtended strand (participates in β ladder)trans-62.5138.2168.8-15.431.6000109.8V579 L877V579-P899 HydrophobicContact CG1-CG 3.9Å; L877-P899 HydrophobicContact CD2-CB 4.35Å; L877-P899 HydrophobicContact CD2-CG 4.33Å
900C95.2Very high89.8Confident1 Ų140.5 Ų40.51%0.00723%0.225CC..  trans-127.258.3174.552.20000111.3W876 F878 E902 V903 Q925W876-C900 PolarHBondContact O-N 3Å; W876-C900 VanDerWaalsContact O-N 3.11Å; F878-C900 HydrophobicContact CB-CB 4.26Å; F878-C900 PolarHBondContact N-SG 3.45Å; F878-C900 VanDerWaalsContact N-SG 3.43Å; C900-E902 WeakPolarHBondContact CA-OE2 3.29Å; C900-E902 WeakPolarHBondContact CB-OE1 3.28Å; C900-E902 PolarHBondContact O-N 3.27Å; C900-E902 VanDerWaalsContact O-N 3.09Å; C900-V903 HydrophobicContact CB-CG2 4.17Å; C900-V903 VanDerWaalsContact O-CB 3.25Å; C900-V903 WeakPolarHBondContact O-CB 3.07Å; C900-V903 VanDerWaalsContact O-CG2 3.31Å; C900-V903 WeakPolarHBondContact O-CG2 3.26Å; C900-V903 PolarHBondContact O-N 3.09Å; C900-Q925 HydrophobicContact CB-CB 4.27Å
901P92.6Very high91.6Very high67 Ų6736.6 Ų36.644%0.43521%0.205SC..THydrogen-bonded Turntrans-62.1-17.3-177.629.6-36.9000113V903 E904P901-V903 PolarHBondContact O-N 2.89Å; P901-V903 VanDerWaalsContact O-N 3.15Å; P901-E904 VanDerWaalsContact O-CB 3.26Å; P901-E904 WeakPolarHBondContact O-CB 3.42Å; P901-E904 PolarHBondContact O-N 3.16Å
902E93.8Very high93Very high52 Ų5242.2 Ų42.224%0.24323%0.228CC..Hα-helixtrans-58.9-23171.773.3-77.7-175.700113.1C900 E904 A905 Y906 G924 Q925 A926C900-E902 WeakPolarHBondContact CA-OE2 3.29Å; C900-E902 WeakPolarHBondContact CB-OE1 3.28Å; C900-E902 PolarHBondContact O-N 3.27Å; C900-E902 VanDerWaalsContact O-N 3.09Å; E902-E904 PolarHBondContact O-N 2.74Å; E902-A905 PolarHBondContact O-N 2.66Å; E902-Y906 WeakPolarHBondContact O-CD2 3.35Å; E902-G924 WeakPolarHBondContact OE1-CA 3.37Å; E902-Q925 PolarHBondContact OE1-N 3.03Å; E902-A926 HydrophobicContact CG-CB 4.24Å
903V94.5Very high93.8Very high1 Ų145.8 Ų45.81%0.00625%0.245CC..Hα-helixtrans-55.4-37.9171.2167.50000112F866 W876 C900 P901 A905 Y906 L907 A926 L929F866-V903 HydrophobicContact CD1-CG2 4.34Å; F866-V903 HydrophobicContact CE1-CG2 4.28Å; W876-V903 HydrophobicContact CB-CB 4.35Å; W876-V903 HydrophobicContact CB-CG1 4.45Å; W876-V903 HydrophobicContact CD2-CG1 3.96Å; W876-V903 HydrophobicContact CG-CB 4.15Å; W876-V903 HydrophobicContact CG-CG1 3.77Å; C900-V903 HydrophobicContact CB-CG2 4.17Å; C900-V903 VanDerWaalsContact O-CB 3.25Å; C900-V903 WeakPolarHBondContact O-CB 3.07Å; C900-V903 VanDerWaalsContact O-CG2 3.31Å; C900-V903 WeakPolarHBondContact O-CG2 3.26Å; C900-V903 PolarHBondContact O-N 3.09Å; P901-V903 PolarHBondContact O-N 2.89Å; P901-V903 VanDerWaalsContact O-N 3.15Å; V903-A905 VanDerWaalsContact C-N 3.32Å; V903-A905 PolarHBondContact O-N 2.72Å; V903-Y906 PolarHBondContact O-N 3.13Å; V903-L907 HydrophobicContact CG1-CD1 3.53Å; V903-L907 HydrophobicContact CG1-CG 3.93Å; V903-L907 WeakPolarHBondContact O-CG 3.25Å; V903-L907 PolarHBondContact O-N 3.1Å; V903-A926 HydrophobicContact CG2-CB 4.11Å; V903-L929 HydrophobicContact CB-CD2 4.3Å; V903-L929 HydrophobicContact CG1-CD2 3.38Å; V903-L929 HydrophobicContact CG2-CD2 3.96Å
904E93.4Very high94.1Very high58 Ų5845 Ų4527%0.27124%0.241SC..Hα-helixtrans-55.9-46.9177.8178.3-175.5-171.700111.7D873 S874 P901 E902 Y906 L907 K908D873-E904 HydrophobicContact CB-CG 3.78Å; S874-E904 WeakPolarHBondContact CB-OE2 3.47Å; P901-E904 VanDerWaalsContact O-CB 3.26Å; P901-E904 WeakPolarHBondContact O-CB 3.42Å; P901-E904 PolarHBondContact O-N 3.16Å; E902-E904 PolarHBondContact O-N 2.74Å; E904-Y906 VanDerWaalsContact C-N 3.29Å; E904-Y906 PolarHBondContact O-N 3Å; E904-L907 PolarHBondContact O-N 3.17Å; E904-K908 HydrophobicContact CG-CD 3.93Å; E904-K908 WeakPolarHBondContact O-CB 3.4Å; E904-K908 WeakPolarHBondContact O-CG 3.39Å; E904-K908 PolarHBondContact O-N 2.93Å; E904-K908 WeakPolarHBondContact OE1-CE 3.36Å; E904-K908 IonicContact OE1-NZ 2.69Å; E904-K908 PolarHBondContact OE1-NZ 3.12Å
905A93.3Very high94.2Very high60 Ų6049.1 Ų49.150%0.49626%0.259SS..Hα-helixtrans-61.3-41.4-174.800000111.1E902 V903 M909E902-A905 PolarHBondContact O-N 2.66Å; V903-A905 VanDerWaalsContact C-N 3.32Å; V903-A905 PolarHBondContact O-N 2.72Å; A905-M909 WeakPolarHBondContact O-CG 3.44Å
906Y95.4Very high94Very high30 Ų3054.9 Ų54.912%0.11830%0.295CS..Hα-helixtrans-77.4-36.4178.2-61.4-70.2000113E902 V903 E904 K908 M909 L914 L917 I922 Q923 A926E902-Y906 WeakPolarHBondContact O-CD2 3.35Å; V903-Y906 PolarHBondContact O-N 3.13Å; E904-Y906 VanDerWaalsContact C-N 3.29Å; E904-Y906 PolarHBondContact O-N 3Å; Y906-K908 PolarHBondContact O-N 2.91Å; Y906-M909 HydrophobicContact CD1-SD 3.72Å; Y906-M909 HydrophobicContact CE1-SD 4.27Å; Y906-M909 WeakPolarHBondContact O-CB 3.27Å; Y906-M909 PolarHBondContact O-N 3.05Å; Y906-M909 VanDerWaalsContact O-N 3.11Å; Y906-L914 HydrophobicContact CD1-CD2 4.03Å; Y906-L917 HydrophobicContact CD1-CD2 4.11Å; Y906-L917 HydrophobicContact CE1-CD2 3.72Å; Y906-I922 HydrophobicContact CD1-CG2 4.28Å; Y906-I922 HydrophobicContact CD2-CG2 4.05Å; Y906-I922 HydrophobicContact CE1-CG2 4.05Å; Y906-I922 HydrophobicContact CE2-CG2 3.77Å; Y906-I922 HydrophobicContact CG-CG2 4.3Å; Y906-Q923 HydrophobicContact CE2-CB 4.48Å; Y906-Q923 WeakPolarHBondContact OH-CG 3.42Å; Y906-Q923 PolarHBondContact OH-N 3.12Å; Y906-A926 HydrophobicContact CD2-CB 3.35Å; Y906-A926 HydrophobicContact CE2-CB 3.81Å; Y906-A926 HydrophobicContact CG-CB 4.25Å
907L94.8Very high93.8Very high13 Ų1354.3 Ų54.37%0.06829%0.293CS..Hα-helixtrans-73.2-7.4175-63.6-175.3000113.7F761 P762 L764 W876 V903 E904 L929 L930F761-L907 HydrophobicContact CE2-CD2 4.17Å; F761-L907 HydrophobicContact CZ-CD2 4.37Å; F761-L907 WeakPolarHBondContact CZ-O 3.4Å; P762-L907 HydrophobicContact CG-CD2 3.9Å; L764-L907 HydrophobicContact CD2-CD1 3.79Å; L764-L907 HydrophobicContact CG-CD1 4.45Å; W876-L907 HydrophobicContact CZ2-CD1 4.02Å; V903-L907 HydrophobicContact CG1-CD1 3.53Å; V903-L907 HydrophobicContact CG1-CG 3.93Å; V903-L907 WeakPolarHBondContact O-CG 3.25Å; V903-L907 PolarHBondContact O-N 3.1Å; E904-L907 PolarHBondContact O-N 3.17Å; L907-L929 HydrophobicContact CD1-CD2 4.18Å; L907-L929 HydrophobicContact CD2-CD2 4.47Å; L907-L929 HydrophobicContact CG-CD2 4.49Å; L907-L930 HydrophobicContact CD2-CD2 4.21Å
908K94.3Very high93.4Very high120 Ų12058.2 Ų58.252%0.52231%0.314SS..THydrogen-bonded Turntrans-93.6-10.4168-73.4-179.3179.2-177.30114.1D873 E904 Y906D873-K908 WeakPolarHBondContact OD2-CE 3.49Å; D873-K908 IonicContact OD2-NZ 2.74Å; D873-K908 PolarHBondContact OD2-NZ 3.06Å; E904-K908 HydrophobicContact CG-CD 3.93Å; E904-K908 WeakPolarHBondContact O-CB 3.4Å; E904-K908 WeakPolarHBondContact O-CG 3.39Å; E904-K908 PolarHBondContact O-N 2.93Å; E904-K908 WeakPolarHBondContact OE1-CE 3.36Å; E904-K908 IonicContact OE1-NZ 2.69Å; E904-K908 PolarHBondContact OE1-NZ 3.12Å; Y906-K908 PolarHBondContact O-N 2.91Å
909M94.4Very high93.1Very high52 Ų5259 Ų5926%0.25632%0.319SS..SBendtrans-78154171-66.1173.366.100111A905 Y906 E913 L914 L917A905-M909 WeakPolarHBondContact O-CG 3.44Å; Y906-M909 HydrophobicContact CD1-SD 3.72Å; Y906-M909 HydrophobicContact CE1-SD 4.27Å; Y906-M909 WeakPolarHBondContact O-CB 3.27Å; Y906-M909 PolarHBondContact O-N 3.05Å; Y906-M909 VanDerWaalsContact O-N 3.11Å; M909-E913 HydrophobicContact CB-CB 4.4Å; M909-E913 HydrophobicContact CE-CB 3.66Å; M909-L914 HydrophobicContact CB-CD1 4.27Å; M909-L914 HydrophobicContact CB-CD2 4.05Å; M909-L914 HydrophobicContact CB-CG 3.83Å; M909-L914 HydrophobicContact CE-CD2 4.04Å; M909-L914 HydrophobicContact CE-CG 4.42Å; M909-L914 HydrophobicContact SD-CD2 3.85Å; M909-L917 HydrophobicContact CE-CD2 4.3Å
910T93.6Very high92.9Very high61 Ų6164.1 Ų64.137%0.37433%0.333SS..  trans-72153.617160.50000111.6E912 E913 L914T910-E912 PolarHBondContact O-N 3.5Å; T910-E913 WeakPolarHBondContact CB-OE2 3.23Å; T910-E913 WeakPolarHBondContact CG2-OE2 3.48Å; T910-E913 PolarHBondContact N-OE2 2.64Å; T910-E913 PolarHBondContact O-N 2.67Å; T910-E913 VanDerWaalsContact OG1-CD 3.23Å; T910-E913 WeakPolarHBondContact OG1-CG 3.38Å; T910-E913 PolarHBondContact OG1-N 3.36Å; T910-E913 PolarHBondContact OG1-OE2 3.23Å; T910-L914 WeakPolarHBondContact O-CG 3.46Å; T910-L914 PolarHBondContact O-N 2.93Å
911P92.7Very high92.7Very high24 Ų2466.2 Ų66.216%0.15635%0.348CS..Hα-helixtrans-56.2-30.8172.3-24.634.7000113.2V718 T720 F761 H915V718-P911 HydrophobicContact CB-CB 4.32Å; V718-P911 HydrophobicContact CG1-CB 4.36Å; V718-P911 WeakPolarHBondContact O-CB 3.49Å; T720-P911 HydrophobicContact CG2-CG 3.79Å; F761-P911 HydrophobicContact CG-CG 4.46Å; P911-H915 WeakPolarHBondContact O-CB 3.48Å; P911-H915 PolarHBondContact O-N 3.39Å
912E91Very high92.7Very high132 Ų13263.5 Ų63.562%0.61733%0.329SS*.Hα-helixtrans-67.4-44.5176-67.173.4-165.100112.4T910 H915 T916T910-E912 PolarHBondContact O-N 3.5Å; E912-H915 WeakPolarHBondContact O-CB 3.38Å; E912-H915 PolarHBondContact O-N 2.84Å; E912-T916 PolarHBondContact O-N 2.99Å
913E93.1Very high92.4Very high96 Ų9666.8 Ų66.845%0.44935%0.345SS..Hα-helixtrans-67.9-37.3173.9-68.9160.9131.300111.7M909 T910 H915 T916 L917M909-E913 HydrophobicContact CB-CB 4.4Å; M909-E913 HydrophobicContact CE-CB 3.66Å; T910-E913 WeakPolarHBondContact CB-OE2 3.23Å; T910-E913 WeakPolarHBondContact CG2-OE2 3.48Å; T910-E913 PolarHBondContact N-OE2 2.64Å; T910-E913 PolarHBondContact O-N 2.67Å; T910-E913 VanDerWaalsContact OG1-CD 3.23Å; T910-E913 WeakPolarHBondContact OG1-CG 3.38Å; T910-E913 PolarHBondContact OG1-N 3.36Å; T910-E913 PolarHBondContact OG1-OE2 3.23Å; E913-H915 VanDerWaalsContact C-N 3.25Å; E913-H915 PolarHBondContact O-N 3.29Å; E913-T916 PolarHBondContact O-N 3.49Å; E913-T916 PolarHBondContact O-OG1 3.09Å; E913-T916 VanDerWaalsContact O-OG1 3.07Å; E913-L917 PolarHBondContact O-N 2.94Å
914L92.4Very high92.2Very high1 Ų169.4 Ų69.41%0.00537%0.372CS..Hα-helixtrans-70.5-21.9173.8-68.4168.9000112.6K759 F761 Y906 M909 T910 L930K759-L914 WeakPolarHBondContact CD-O 3.35Å; K759-L914 WeakPolarHBondContact CE-O 3.45Å; K759-L914 PolarHBondContact NZ-O 3.27Å; F761-L914 HydrophobicContact CD2-CD1 3.5Å; F761-L914 VanDerWaalsContact CD2-CD1 3.5Å; F761-L914 HydrophobicContact CE2-CD1 3.82Å; Y906-L914 HydrophobicContact CD1-CD2 4.03Å; M909-L914 HydrophobicContact CB-CD1 4.27Å; M909-L914 HydrophobicContact CB-CD2 4.05Å; M909-L914 HydrophobicContact CB-CG 3.83Å; M909-L914 HydrophobicContact CE-CD2 4.04Å; M909-L914 HydrophobicContact CE-CG 4.42Å; M909-L914 HydrophobicContact SD-CD2 3.85Å; T910-L914 WeakPolarHBondContact O-CG 3.46Å; T910-L914 PolarHBondContact O-N 2.93Å; L914-L930 HydrophobicContact CD2-CD1 4.09Å
915H91.6Very high92.2Very high106 Ų10669.3 Ų69.349%0.49137%0.371SS..Hα-helixtrans-69.6-47.1173.9-175.751.4000111.3G717 V718 K759 P911 E912 E913 L917G717-H915 VanDerWaalsContact CA-CE1 3.45Å; G717-H915 WeakPolarHBondContact CA-CE1 3.06Å; G717-H915 WeakPolarHBondContact CA-ND1 3.09Å; G717-H915 PolarHBondContact O-ND1 3.24Å; V718-H915 HydrophobicContact CG2-CB 3.79Å; K759-H915 PolarHBondContact NZ-O 2.93Å; P911-H915 WeakPolarHBondContact O-CB 3.48Å; P911-H915 PolarHBondContact O-N 3.39Å; E912-H915 WeakPolarHBondContact O-CB 3.38Å; E912-H915 PolarHBondContact O-N 2.84Å; E913-H915 VanDerWaalsContact C-N 3.25Å; E913-H915 PolarHBondContact O-N 3.29Å; H915-L917 VanDerWaalsContact C-N 3.32Å; H915-L917 PolarHBondContact O-N 2.79Å
916T91.4Very high92.2Very high121 Ų12166.5 Ų66.574%0.74235%0.348SS*.Hα-helixtrans-71.9-22.9-17859.70000113.9E912 E913E912-T916 PolarHBondContact O-N 2.99Å; E913-T916 PolarHBondContact O-N 3.49Å; E913-T916 PolarHBondContact O-OG1 3.09Å; E913-T916 VanDerWaalsContact O-OG1 3.07Å
917L93.3Very high92.3Very high45 Ų4569 Ų6924%0.23636%0.358CS..SBendtrans-72.1128.2178.4-168.467.7000112.3K759 Y906 M909 E913 H915 S921 I922K759-L917 VanDerWaalsContact CE-O 3.29Å; K759-L917 WeakPolarHBondContact CE-O 3.48Å; K759-L917 PolarHBondContact NZ-O 3.15Å; Y906-L917 HydrophobicContact CD1-CD2 4.11Å; Y906-L917 HydrophobicContact CE1-CD2 3.72Å; M909-L917 HydrophobicContact CE-CD2 4.3Å; E913-L917 PolarHBondContact O-N 2.94Å; H915-L917 VanDerWaalsContact C-N 3.32Å; H915-L917 PolarHBondContact O-N 2.79Å; L917-S921 WeakPolarHBondContact CD1-OG 3.35Å; L917-S921 WeakPolarHBondContact CG-OG 3.38Å; L917-I922 HydrophobicContact CD2-CG1 3.82Å; L917-I922 HydrophobicContact CG-CG1 4.32Å
918D90.4Very high92.3Very high83 Ų8370 Ų7044%0.44436%0.36SS..  trans-63.2126.9173.9177.2-3.8000110.3K920 S921D918-K920 PolarHBondContact O-N 2.64Å; D918-K920 WeakPolarHBondContact OD1-CB 3.29Å; D918-K920 PolarHBondContact OD1-N 2.83Å; D918-S921 WeakPolarHBondContact O-CB 3.17Å; D918-S921 PolarHBondContact O-N 2.97Å; D918-S921 PolarHBondContact O-OG 3.02Å
919P89.6Confident92.4Very high42 Ų4264.3 Ų64.327%0.27334%0.336SS..G310 helixtrans-45.7-32170.3-2832.9000115.7S921P919-S921 VanDerWaalsContact C-N 3.31Å
920K90.3Very high92.5Very high182 Ų18262.1 Ų62.179%0.79133%0.325SS*.G310 helixtrans-73.4-19.4177.6-60.5176.2179.4177.70113.5D918D918-K920 PolarHBondContact O-N 2.64Å; D918-K920 WeakPolarHBondContact OD1-CB 3.29Å; D918-K920 PolarHBondContact OD1-N 2.83Å
921S91.4Very high92.5Very high45 Ų4559.8 Ų59.832%0.31531%0.311SS..G310 helixtrans-89.7-12.7178.171.60000113.7L917 D918 P919 Q923L917-S921 WeakPolarHBondContact CD1-OG 3.35Å; L917-S921 WeakPolarHBondContact CG-OG 3.38Å; D918-S921 WeakPolarHBondContact O-CB 3.17Å; D918-S921 PolarHBondContact O-N 2.97Å; D918-S921 PolarHBondContact O-OG 3.02Å; P919-S921 VanDerWaalsContact C-N 3.31Å; S921-Q923 PolarHBondContact O-N 2.8Å; S921-Q923 PolarHBondContact O-NE2 2.78Å
922I92.1Very high92.7Very high9 Ų958.7 Ų58.75%0.04630%0.304CS..SBendtrans-69.6121.6176.9-54.9178.4000108.9K759 Y906 L917 A926 R927 L930K759-I922 HydrophobicContact CD-CD1 4.28Å; Y906-I922 HydrophobicContact CD1-CG2 4.28Å; Y906-I922 HydrophobicContact CD2-CG2 4.05Å; Y906-I922 HydrophobicContact CE1-CG2 4.05Å; Y906-I922 HydrophobicContact CE2-CG2 3.77Å; Y906-I922 HydrophobicContact CG-CG2 4.3Å; L917-I922 HydrophobicContact CD2-CG1 3.82Å; L917-I922 HydrophobicContact CG-CG1 4.32Å; I922-A926 HydrophobicContact CG2-CB 3.88Å; I922-R927 HydrophobicContact CB-CB 4.15Å; I922-R927 HydrophobicContact CG2-CB 4.2Å; I922-R927 VanDerWaalsContact CG2-N 3.34Å; I922-L930 HydrophobicContact CD1-CD1 4.19Å
923Q88Confident92.9Very high122 Ų12252.7 Ų52.757%0.5728%0.277SS*.  trans-78.6153.1-174-59.3-59.2-67.800112.4Y906 S921Y906-Q923 HydrophobicContact CE2-CB 4.48Å; Y906-Q923 WeakPolarHBondContact OH-CG 3.42Å; Y906-Q923 PolarHBondContact OH-N 3.12Å; S921-Q923 PolarHBondContact O-N 2.8Å; S921-Q923 PolarHBondContact O-NE2 2.78Å
924G89.3Confident93.1Very high55 Ų5549 Ų4957%0.56726%0.259SS*.THydrogen-bonded Turntrans59.1-142.8171.100000113.6E902 A926E902-G924 WeakPolarHBondContact OE1-CA 3.37Å; G924-A926 VanDerWaalsContact C-N 3.34Å
925Q93.5Very high93.3Very high57 Ų5749 Ų4927%0.26626%0.259SS..THydrogen-bonded Turntrans-83.2-12.1-177.9-62.4-64.4-10.100112.7F866 F878 C900 E902 R927 R928 L929F866-Q925 HydrophobicContact CE1-CB 3.69Å; F866-Q925 HydrophobicContact CZ-CB 3.84Å; F866-Q925 WeakPolarHBondContact CZ-O 3.45Å; F878-Q925 HydrophobicContact CB-CB 4.33Å; F878-Q925 HydrophobicContact CB-CG 4.11Å; F878-Q925 HydrophobicContact CD1-CG 3.83Å; F878-Q925 HydrophobicContact CD2-CB 4.03Å; F878-Q925 HydrophobicContact CD2-CG 4.01Å; F878-Q925 HydrophobicContact CE1-CG 4.24Å; F878-Q925 HydrophobicContact CE2-CG 4.38Å; F878-Q925 HydrophobicContact CG-CB 4.11Å; F878-Q925 HydrophobicContact CG-CG 3.7Å; F878-Q925 HydrophobicContact CZ-CG 4.49Å; C900-Q925 HydrophobicContact CB-CB 4.27Å; E902-Q925 PolarHBondContact OE1-N 3.03Å; Q925-R927 PolarHBondContact O-N 2.92Å; Q925-R927 VanDerWaalsContact O-N 3.1Å; Q925-R928 PolarHBondContact O-N 3.23Å; Q925-L929 PolarHBondContact O-N 3.12Å
926A94.9Very high93.7Very high1 Ų144 Ų441%0.00824%0.235CC..Hα-helixtrans-59-26.2-17900000113.8E902 V903 Y906 I922 G924 R928 L929 L930E902-A926 HydrophobicContact CG-CB 4.24Å; V903-A926 HydrophobicContact CG2-CB 4.11Å; Y906-A926 HydrophobicContact CD2-CB 3.35Å; Y906-A926 HydrophobicContact CE2-CB 3.81Å; Y906-A926 HydrophobicContact CG-CB 4.25Å; I922-A926 HydrophobicContact CG2-CB 3.88Å; G924-A926 VanDerWaalsContact C-N 3.34Å; A926-R928 VanDerWaalsContact C-N 3.31Å; A926-R928 PolarHBondContact O-N 2.61Å; A926-L929 PolarHBondContact O-N 3.12Å; A926-L930 WeakPolarHBondContact O-CG 3.5Å; A926-L930 PolarHBondContact O-N 2.96Å; A926-L930 VanDerWaalsContact O-N 3.15Å
927R95.6Very high94Very high83 Ų8338.2 Ų38.231%0.31320%0.2SC..Hα-helixtrans-53.8-49.2169.6176.3-176.8166.1-90.1-2.3110.9E859 I922 Q925 L930 C931E859-R927 IonicContact OE1-CZ 3.39Å; E859-R927 IonicContact OE1-NH1 2.68Å; E859-R927 PolarHBondContact OE1-NH1 2.86Å; E859-R927 IonicContact OE1-NH2 3.83Å; E859-R927 PolarHBondContact OE1-NH2 3.35Å; E859-R927 IonicContact OE2-NH1 3.63Å; I922-R927 HydrophobicContact CB-CB 4.15Å; I922-R927 HydrophobicContact CG2-CB 4.2Å; I922-R927 VanDerWaalsContact CG2-N 3.34Å; Q925-R927 PolarHBondContact O-N 2.92Å; Q925-R927 VanDerWaalsContact O-N 3.1Å; R927-L930 PolarHBondContact O-N 2.85Å; R927-C931 VanDerWaalsContact O-CB 3.24Å; R927-C931 WeakPolarHBondContact O-CB 3.46Å; R927-C931 PolarHBondContact O-N 2.83Å; R927-C931 PolarHBondContact O-SG 2.67Å
928R95.5Very high94.2Very high32 Ų3236 Ų3612%0.12119%0.189CC..Hα-helixtrans-70.9-38-176.2-54.4-171.679.6-160.3-4111.4E859 F866 Q925 A926 L930 D932E859-R928 IonicContact OE2-CZ 2.68Å; E859-R928 IonicContact OE2-NE 3.49Å; E859-R928 PolarHBondContact OE2-NE 3.3Å; E859-R928 IonicContact OE2-NH2 3.87Å; F866-R928 HydrophobicContact CE2-CB 4.17Å; F866-R928 HydrophobicContact CZ-CB 4.1Å; Q925-R928 PolarHBondContact O-N 3.23Å; A926-R928 VanDerWaalsContact C-N 3.31Å; A926-R928 PolarHBondContact O-N 2.61Å; R928-L930 VanDerWaalsContact C-N 3.31Å; R928-L930 PolarHBondContact O-N 3.08Å; R928-D932 WeakPolarHBondContact CA-OD2 3.44Å; R928-D932 HydrophobicContact CB-CB 4.26Å; R928-D932 IonicContact NE-OD2 2.88Å; R928-D932 CarbonylContact O-C 3.53Å; R928-D932 WeakPolarHBondContact O-CA 3.4Å; R928-D932 WeakPolarHBondContact O-CB 3.29Å; R928-D932 PolarHBondContact O-N 2.84Å
929L96.8Very high94.5Very high2 Ų233.8 Ų33.81%0.0118%0.176CC..Hα-helixtrans-57.3-43.9174-179.964.6000112.5P762 V855 F866 V903 L907 Q925 A926P762-L929 HydrophobicContact CG-CD1 4.32Å; P762-L929 HydrophobicContact CG-CD2 4.49Å; P762-L929 HydrophobicContact CG-CG 4.25Å; V855-L929 HydrophobicContact CB-CD1 3.6Å; V855-L929 HydrophobicContact CG1-CD1 3.9Å; V855-L929 HydrophobicContact CG2-CD1 3.76Å; F866-L929 HydrophobicContact CB-CD1 3.99Å; F866-L929 HydrophobicContact CD1-CB 4.17Å; F866-L929 HydrophobicContact CD1-CD1 4.32Å; F866-L929 HydrophobicContact CD2-CB 4.2Å; F866-L929 HydrophobicContact CD2-CD1 3.94Å; F866-L929 HydrophobicContact CE1-CB 3.94Å; F866-L929 HydrophobicContact CE2-CB 3.99Å; F866-L929 HydrophobicContact CG-CB 4.3Å; F866-L929 HydrophobicContact CG-CD1 3.83Å; F866-L929 HydrophobicContact CZ-CB 3.86Å; V903-L929 HydrophobicContact CB-CD2 4.3Å; V903-L929 HydrophobicContact CG1-CD2 3.38Å; V903-L929 HydrophobicContact CG2-CD2 3.96Å; L907-L929 HydrophobicContact CD1-CD2 4.18Å; L907-L929 HydrophobicContact CD2-CD2 4.47Å; L907-L929 HydrophobicContact CG-CD2 4.49Å; Q925-L929 PolarHBondContact O-N 3.12Å; A926-L929 PolarHBondContact O-N 3.12Å
930L96.2Very high94.5Very high5 Ų532.1 Ų32.13%0.02617%0.165CC..Hα-helixtrans-85.7-35-174.6-66.1171.2000113.7K759 I760 L907 L914 I922 A926 R927 R928K759-L930 CarbonylContact C-O 3.57Å; K759-L930 VanDerWaalsContact CA-O 3.26Å; K759-L930 WeakPolarHBondContact CA-O 3.46Å; I760-L930 PolarHBondContact N-O 3.14Å; L907-L930 HydrophobicContact CD2-CD2 4.21Å; L914-L930 HydrophobicContact CD2-CD1 4.09Å; I922-L930 HydrophobicContact CD1-CD1 4.19Å; A926-L930 WeakPolarHBondContact O-CG 3.5Å; A926-L930 PolarHBondContact O-N 2.96Å; A926-L930 VanDerWaalsContact O-N 3.15Å; R927-L930 PolarHBondContact O-N 2.85Å; R928-L930 VanDerWaalsContact C-N 3.31Å; R928-L930 PolarHBondContact O-N 3.08Å
931C94.2Very high93.9Very high13 Ų1326.5 Ų26.59%0.08815%0.147CC..Hα-helixtrans-101.2-21.1-174.2-48.50000113.2K755 R927K755-C931 WeakPolarHBondContact CE-O 3.27Å; K755-C931 PolarHBondContact NZ-O 3.46Å; R927-C931 VanDerWaalsContact O-CB 3.24Å; R927-C931 WeakPolarHBondContact O-CB 3.46Å; R927-C931 PolarHBondContact O-N 2.83Å; R927-C931 PolarHBondContact O-SG 2.67Å
932D95.4Very high92.8Very high1 Ų128.9 Ų28.91%0.00516%0.16CC..SBendtrans-118.710.7-172.1-58-47.3000113.9R749 K755 C857 I858 R928 Y934R749-D932 VanDerWaalsContact NH2-CA 3.31Å; R749-D932 PolarHBondContact NH2-O 3.09Å; K755-D932 IonicContact NZ-OD1 2.62Å; K755-D932 PolarHBondContact NZ-OD1 3.09Å; C857-D932 CarbonylContact C-O 3.54Å; C857-D932 WeakPolarHBondContact CA-O 3.42Å; C857-D932 HydrophobicContact CB-CB 4.21Å; C857-D932 WeakPolarHBondContact CB-O 3.41Å; I858-D932 PolarHBondContact N-O 3.13Å; I858-D932 WeakPolarHBondContact O-CB 3.2Å; R928-D932 WeakPolarHBondContact CA-OD2 3.44Å; R928-D932 HydrophobicContact CB-CB 4.26Å; R928-D932 IonicContact NE-OD2 2.88Å; R928-D932 CarbonylContact O-C 3.53Å; R928-D932 WeakPolarHBondContact O-CA 3.4Å; R928-D932 WeakPolarHBondContact O-CB 3.29Å; R928-D932 PolarHBondContact O-N 2.84Å; D932-Y934 PolarHBondContact O-N 3.19Å
933A96.4Very high91.3Very high5 Ų533.5 Ų33.54%0.04118%0.182CC..EExtended strand (participates in β ladder)trans-52.7132.3172.300000112.8M747 R749 V855M747-A933 HydrophobicContact CG-CB 4.09Å; R749-A933 PolarHBondContact NE-O 3.01Å; R749-A933 VanDerWaalsContact NE-O 3.16Å; R749-A933 PolarHBondContact NH2-O 3.38Å; V855-A933 HydrophobicContact CG1-CB 3.88Å
934Y96.5Very high89.9Confident20 Ų2030 Ų308%0.07817%0.171CC..EExtended strand (participates in β ladder)trans-117.5-52.3174.8179-121.3000111.6D672 P673 Q746 M747 L856 I858 Y863 D932D672-Y934 PolarHBondContact OD1-OH 3.03Å; D672-Y934 PolarHBondContact OD2-OH 3Å; P673-Y934 HydrophobicContact CB-CE1 4.18Å; P673-Y934 HydrophobicContact CG-CD1 4.26Å; P673-Y934 HydrophobicContact CG-CE1 3.91Å; Q746-Y934 CarbonylContact C-O 3.51Å; Q746-Y934 WeakPolarHBondContact CA-O 3.47Å; Q746-Y934 PolarHBondContact NE2-OH 3.04Å; M747-Y934 PolarHBondContact N-O 3.07Å; L856-Y934 HydrophobicContact CD2-CD1 3.8Å; L856-Y934 WeakPolarHBondContact O-CA 3.41Å; L856-Y934 WeakPolarHBondContact O-CB 3.44Å; L856-Y934 PolarHBondContact O-N 2.8Å; I858-Y934 HydrophobicContact CG2-CD2 4.45Å; I858-Y934 HydrophobicContact CG2-CG 4.22Å; Y863-Y934 HydrophobicContact CD1-CD1 4.43Å; Y863-Y934 AromaticContact CE1-CD1 3.66Å; Y863-Y934 HydrophobicContact CE1-CD1 3.66Å; Y863-Y934 HydrophobicContact CE1-CE1 4.05Å; Y863-Y934 HydrophobicContact CE1-CG 4.22Å; D932-Y934 PolarHBondContact O-N 3.19Å
935M98Very high88.5Confident0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-127.3128173.3-72.1177.2174.100110.8P673 E674 L677 I744 I745 Q746 V855 L856 M937P673-M935 HydrophobicContact CB-CE 3.9Å; P673-M935 HydrophobicContact CB-SD 4.03Å; E674-M935 HydrophobicContact CB-CE 4.23Å; L677-M935 HydrophobicContact CD1-CE 4.47Å; L677-M935 HydrophobicContact CD1-SD 4.43Å; I744-M935 HydrophobicContact CG2-CB 4.24Å; I744-M935 HydrophobicContact CG2-CG 4.22Å; I744-M935 HydrophobicContact CG2-SD 3.87Å; I745-M935 CarbonylContact O-C 3.36Å; I745-M935 VanDerWaalsContact O-CA 3.29Å; I745-M935 WeakPolarHBondContact O-CA 3.35Å; Q746-M935 HydrophobicContact CG-CE 3.53Å; Q746-M935 HydrophobicContact CG-CG 3.78Å; Q746-M935 HydrophobicContact CG-SD 4.45Å; V855-M935 CarbonylContact C-O 3.52Å; V855-M935 WeakPolarHBondContact CA-O 3.15Å; L856-M935 HydrophobicContact CB-CB 4.34Å; L856-M935 PolarHBondContact N-O 2.73Å; L856-M935 PolarHBondContact O-N 3.3Å; M935-M937 HydrophobicContact CB-CE 4.27Å; M935-M937 HydrophobicContact SD-CE 4.37Å
936C98.6Very high86.7Confident0 Ų032.2 Ų32.20%017%0.166CC..EExtended strand (participates in β ladder)trans-98.8130.3167.8-630000109.2I745 M747 L852 Y938I745-C936 PolarHBondContact N-O 2.94Å; I745-C936 PolarHBondContact O-N 3.14Å; M747-C936 HydrophobicContact CE-CB 4.07Å; L852-C936 HydrophobicContact CD1-CB 4.13Å; C936-Y938 HydrophobicContact CB-CD2 4.4Å; C936-Y938 HydrophobicContact CB-CE2 3.64Å
937M98.5Very high84.4Confident0 Ų043.4 Ų43.40%022%0.215CC..EExtended strand (participates in β ladder)trans-116.6122.9-173.8-51.8-170.8-17700110.9C600 L601 I744 F853 A854 L856 M935C600-M937 HydrophobicContact CB-CE 3.94Å; C600-M937 HydrophobicContact CB-SD 3.66Å; L601-M937 HydrophobicContact CD2-SD 3.61Å; L601-M937 HydrophobicContact CG-SD 4.11Å; I744-M937 HydrophobicContact CG1-CG 4.19Å; I744-M937 HydrophobicContact CG2-CG 4.35Å; F853-M937 HydrophobicContact CD1-CB 4.31Å; F853-M937 WeakPolarHBondContact CD1-O 3.35Å; F853-M937 HydrophobicContact CE1-CB 3.69Å; F853-M937 HydrophobicContact CE2-CB 4.05Å; F853-M937 HydrophobicContact CZ-CB 3.55Å; F853-M937 HydrophobicContact CZ-SD 4.43Å; F853-M937 PolarHBondContact N-O 3.19Å; A854-M937 HydrophobicContact CB-CB 4.24Å; A854-M937 HydrophobicContact CB-SD 4.42Å; A854-M937 PolarHBondContact N-O 2.97Å; A854-M937 PolarHBondContact O-N 2.89Å; L856-M937 HydrophobicContact CB-CE 4.17Å; L856-M937 HydrophobicContact CD1-CE 4.36Å; M935-M937 HydrophobicContact CB-CE 4.27Å; M935-M937 HydrophobicContact SD-CE 4.37Å
938Y98.1Very high83.8Confident0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-119.2143.3-173.3-69.9-88.1000111.6S721 C742 L743 I745 S763 L766 E851 L852 C936S721-Y938 PolarHBondContact OG-OH 3.44Å; C742-Y938 CarbonylContact C-O 3.54Å; C742-Y938 WeakPolarHBondContact CA-O 3.24Å; L743-Y938 PolarHBondContact N-O 2.84Å; L743-Y938 WeakPolarHBondContact O-CB 3.3Å; L743-Y938 PolarHBondContact O-N 3.12Å; I745-Y938 HydrophobicContact CD1-CD2 4.05Å; I745-Y938 HydrophobicContact CD1-CE2 4.03Å; S763-Y938 WeakPolarHBondContact O-CE1 3.4Å; S763-Y938 PolarHBondContact O-OH 3.17Å; L766-Y938 HydrophobicContact CB-CD1 4.33Å; L766-Y938 HydrophobicContact CB-CE1 4.34Å; L766-Y938 HydrophobicContact CD1-CD1 3.78Å; L766-Y938 HydrophobicContact CD1-CD2 3.51Å; L766-Y938 HydrophobicContact CD1-CE1 3.77Å; L766-Y938 HydrophobicContact CD1-CE2 3.48Å; L766-Y938 VanDerWaalsContact CD1-CE2 3.48Å; L766-Y938 HydrophobicContact CD1-CG 3.66Å; L766-Y938 HydrophobicContact CG-CD1 3.83Å; L766-Y938 HydrophobicContact CG-CD2 4.36Å; L766-Y938 HydrophobicContact CG-CE1 3.51Å; L766-Y938 HydrophobicContact CG-CE2 4.06Å; L766-Y938 HydrophobicContact CG-CG 4.25Å; E851-Y938 CarbonylContact O-C 3.49Å; E851-Y938 VanDerWaalsContact O-CA 3.23Å; E851-Y938 WeakPolarHBondContact O-CA 3.19Å; L852-Y938 HydrophobicContact CB-CD1 4.04Å; L852-Y938 HydrophobicContact CB-CE1 3.56Å; L852-Y938 HydrophobicContact CD1-CD1 4.31Å; L852-Y938 HydrophobicContact CD1-CD2 4.37Å; L852-Y938 HydrophobicContact CD1-CE1 3.79Å; L852-Y938 HydrophobicContact CD1-CE2 3.88Å; L852-Y938 HydrophobicContact CG-CE1 4.25Å; C936-Y938 HydrophobicContact CB-CD2 4.4Å; C936-Y938 HydrophobicContact CB-CE2 3.64Å
939Q95Very high83.2Confident36 Ų3641.9 Ų41.917%0.16821%0.214CC..EExtended strand (participates in β ladder)trans-127.7156.1177.267.8-175.320.200111.9S605 V607 S741 M850 E851 F853 P941S605-Q939 PolarHBondContact OG-OE1 2.85Å; V607-Q939 HydrophobicContact CB-CB 4.24Å; V607-Q939 HydrophobicContact CG2-CB 4.04Å; S741-Q939 CarbonylContact O-C 3.52Å; S741-Q939 WeakPolarHBondContact O-CA 3.29Å; M850-Q939 CarbonylContact C-O 3.14Å; M850-Q939 VanDerWaalsContact CA-O 3.23Å; M850-Q939 WeakPolarHBondContact CA-O 3.4Å; M850-Q939 WeakPolarHBondContact CB-O 3.46Å; E851-Q939 HydrophobicContact CG-CG 3.6Å; E851-Q939 PolarHBondContact N-O 3Å; E851-Q939 PolarHBondContact O-N 3.1Å; E851-Q939 WeakPolarHBondContact OE1-CG 3.46Å; E851-Q939 PolarHBondContact OE1-NE2 3.3Å; F853-Q939 HydrophobicContact CB-CG 4.28Å; F853-Q939 HydrophobicContact CD1-CB 3.67Å; F853-Q939 HydrophobicContact CD1-CG 3.75Å; F853-Q939 HydrophobicContact CE1-CB 3.93Å; F853-Q939 HydrophobicContact CE1-CG 4.49Å; F853-Q939 HydrophobicContact CG-CG 4.32Å; Q939-P941 WeakPolarHBondContact O-CD 3.34Å
940S90.1Very high82.5Confident6 Ų644.2 Ų44.24%0.04223%0.226CC..  trans-82.5115.4174.8179.30000110.9S741 T942 M943S741-S940 PolarHBondContact O-N 2.9Å; S940-T942 PolarHBondContact O-N 3.28Å; S940-T942 PolarHBondContact OG-OG1 3.09Å; S940-M943 PolarHBondContact O-N 2.83Å; S940-M943 VanDerWaalsContact O-N 3.11Å
941P79Confident81.7Confident64 Ų6446.5 Ų46.542%0.41624%0.237SC..THydrogen-bonded Turntrans-63.4-12.7-175.7-2232.7000114.6E851 Q939E851-P941 HydrophobicContact CB-CG 4.11Å; E851-P941 HydrophobicContact CG-CG 4Å; Q939-P941 WeakPolarHBondContact O-CD 3.34Å
942T66.6Low80.9Confident95 Ų9548.6 Ų48.658%0.58325%0.247SC*.THydrogen-bonded Turntrans-95.4-12.3-178.758.60000113.7S940 K947S940-T942 PolarHBondContact O-N 3.28Å; S940-T942 PolarHBondContact OG-OG1 3.09Å; T942-K947 PolarHBondContact O-NZ 2.68Å
943M60.8Low79.9Confident106 Ų10651.7 Ų51.752%0.52226%0.263SS..  trans-114.620.9-168-59.5-179.971.400114S940S940-M943 PolarHBondContact O-N 2.83Å; S940-M943 VanDerWaalsContact O-N 3.11Å
944S59.6Low78.7Confident48 Ų4855.1 Ų55.134%0.33628%0.279SS..  trans-58.8140.2170.861.80000111.3Y946S944-Y946 VanDerWaalsContact C-N 3.26Å; S944-Y946 VanDerWaalsContact CB-O 3.24Å; S944-Y946 WeakPolarHBondContact CB-O 3.34Å; S944-Y946 PolarHBondContact O-N 3.45Å; S944-Y946 PolarHBondContact OG-O 2.61Å
945L58.7Low77.4Confident77 Ų7757.8 Ų57.840%0.40329%0.294SS..SBendtrans-70.7-27.6178.3-174.562.8000112D609 T610 L613D609-L945 HydrophobicContact CB-CD2 3.72Å; T610-L945 HydrophobicContact CG2-CD1 4.02Å; T610-L945 HydrophobicContact CG2-CD2 4.19Å; L613-L945 HydrophobicContact CD1-CD2 3.9Å
946Y56.7Low75.6Confident83 Ų8362.6 Ų62.633%0.32532%0.318SS..  trans-113.3145.5176.6-50.8-83000109.4P567 D609 S944P567-Y946 HydrophobicContact CB-CD1 3.96Å; P567-Y946 HydrophobicContact CB-CD2 3.91Å; P567-Y946 HydrophobicContact CB-CE1 4Å; P567-Y946 HydrophobicContact CB-CE2 3.97Å; P567-Y946 HydrophobicContact CB-CG 3.92Å; D609-Y946 HydrophobicContact CB-CE2 4.33Å; D609-Y946 WeakPolarHBondContact OD2-CE2 3.25Å; S944-Y946 VanDerWaalsContact C-N 3.26Å; S944-Y946 VanDerWaalsContact CB-O 3.24Å; S944-Y946 WeakPolarHBondContact CB-O 3.34Å; S944-Y946 PolarHBondContact O-N 3.45Å; S944-Y946 PolarHBondContact OG-O 2.61Å
947K46.1Very low73.6Confident236 Ų23668.3 Ų68.3100%1.02635%0.347SS*.  trans-143.10179.7-69.8-169.8176.3-174.40109.7T942T942-K947 PolarHBondContact O-NZ 2.68Å

Retrieved 947 of 947 residues in 240.3 ms (Link to these results)

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