A0A3Q0KT20_SCHMA Loading...

Zinc_ribbon_16 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KT20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,294 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
1M24.2Very low67.7Low214 Ų21470.5 Ų70.5100%1.05437%0.368SS*.  0136.40-72-69.7-172.500107Y3M1-Y3 PolarHBondContact O-N 3.45Å
2P36.3Very low68.9Low114 Ų11464.9 Ų64.974%0.7434%0.339SS*.  trans-60127.816828.1-29.7000106.2S4P2-S4 PolarHBondContact O-N 3.34Å
3Y49.7Very low69.2Low96 Ų9664.6 Ų64.638%0.37634%0.343SS..  trans-67.469.7179.5-61.8-89.8000109.2M1 S5 Y284 F299 V325M1-Y3 PolarHBondContact O-N 3.45Å; Y3-S5 PolarHBondContact O-N 3.39Å; Y3-Y284 HydrophobicContact CD2-CD1 4.17Å; Y3-Y284 HydrophobicContact CE2-CD1 4.11Å; Y3-Y284 HydrophobicContact CE2-CG 4.18Å; Y3-F299 HydrophobicContact CE1-CE2 4.01Å; Y3-F299 HydrophobicContact CE1-CZ 4.37Å; Y3-F299 HydrophobicContact CE2-CE2 4.09Å; Y3-F299 AromaticContact CZ-CE2 3.67Å; Y3-V325 WeakPolarHBondContact CE1-O 3.43Å; Y3-V325 PolarHBondContact OH-O 3.05Å
4S48.3Very low69.3Low83 Ų8366.9 Ų66.958%0.5836%0.356SS*.  trans-67.4123.1177.652.20000108.3P2 E6P2-S4 PolarHBondContact O-N 3.34Å; S4-E6 PolarHBondContact O-N 3.18Å
5S61.3Low70Confident41 Ų4166.6 Ų66.629%0.28735%0.348SS..  trans-75.160.2-179.354.40000111.9Y3 Y7 Q68Y3-S5 PolarHBondContact O-N 3.39Å; S5-Y7 PolarHBondContact O-N 3.48Å; S5-Q68 PolarHBondContact OG-O 3.35Å
6E76.7Confident70.9Confident83 Ų8365.4 Ų65.439%0.38835%0.347SS..SBendtrans-61.8-18.8167.6-65.9-172.2170.600111.5S4 W23 K24S4-E6 PolarHBondContact O-N 3.18Å; E6-W23 CarbonylContact O-C 3.58Å; E6-W23 WeakPolarHBondContact O-CA 3.39Å; E6-K24 PolarHBondContact O-N 3.08Å
7Y87.4Confident71.8Confident56 Ų5664.2 Ų64.222%0.2234%0.341CS..EExtended strand (participates in β ladder)trans-134.9124.6-178.3-48.7-72.9000109.9S5 V22 W23 K24 V384 L399S5-Y7 PolarHBondContact O-N 3.48Å; Y7-V22 WeakPolarHBondContact CA-O 3.14Å; Y7-W23 AromaticContact CD1-CD1 3.7Å; Y7-W23 HydrophobicContact CD1-CG 4.48Å; Y7-W23 AromaticContact CE1-CD1 3.62Å; Y7-W23 HydrophobicContact CE1-CG 4.41Å; Y7-W23 AromaticContact CE1-NE1 3.86Å; Y7-K24 HydrophobicContact CE1-CG 4.01Å; Y7-K24 WeakPolarHBondContact OH-CE 3.38Å; Y7-V384 HydrophobicContact CD1-CB 4.45Å; Y7-V384 HydrophobicContact CD1-CG2 3.93Å; Y7-V384 HydrophobicContact CD2-CB 3.89Å; Y7-V384 HydrophobicContact CD2-CG1 4.24Å; Y7-V384 HydrophobicContact CD2-CG2 4.27Å; Y7-V384 HydrophobicContact CE2-CG1 4.41Å; Y7-V384 HydrophobicContact CG-CB 3.83Å; Y7-V384 HydrophobicContact CG-CG1 4.48Å; Y7-V384 HydrophobicContact CG-CG2 3.71Å; Y7-L399 HydrophobicContact CD1-CD2 4.48Å
8D89.5Confident72.8Confident18 Ų1860.7 Ų60.710%0.09632%0.322CS..EExtended strand (participates in β ladder)trans-156.9158.6169.8-160.815.4000111.1Q10 V21 V22 Q327 K329D8-Q10 VanDerWaalsContact OD2-CG 3.24Å; D8-Q10 WeakPolarHBondContact OD2-CG 3.18Å; D8-Q10 PolarHBondContact OD2-NE2 2.88Å; D8-V21 WeakPolarHBondContact O-CA 3.39Å; D8-V22 HydrophobicContact CB-CB 4.47Å; D8-V22 PolarHBondContact N-O 3.34Å; D8-V22 PolarHBondContact O-N 3.11Å; D8-Q327 PolarHBondContact OD1-NE2 3.47Å; D8-K329 IonicContact OD1-NZ 3.82Å; D8-K329 PolarHBondContact OD1-NZ 3.16Å
9I93Very high73.8Confident0 Ų057.5 Ų57.50%031%0.305CS..EExtended strand (participates in β ladder)trans-126.4122.9171.6-51.2175.3000106.9F19 V20 V21 K329 A385 S387 L397 L399 L405I9-F19 HydrophobicContact CG2-CD2 3.82Å; I9-F19 HydrophobicContact CG2-CE2 4.26Å; I9-V20 WeakPolarHBondContact CA-O 3.09Å; I9-V21 HydrophobicContact CG1-CG2 4.48Å; I9-V21 HydrophobicContact CG2-CG2 4.5Å; I9-K329 PolarHBondContact O-NZ 3.04Å; I9-A385 HydrophobicContact CG1-CB 4.4Å; I9-S387 WeakPolarHBondContact O-CB 3.4Å; I9-L397 HydrophobicContact CD1-CB 4.12Å; I9-L397 HydrophobicContact CG2-CB 4.48Å; I9-L399 HydrophobicContact CD1-CB 3.92Å; I9-L399 HydrophobicContact CG1-CB 4.3Å; I9-L405 HydrophobicContact CD1-CD2 4.01Å
10Q89.3Confident74.6Confident42 Ų4254.7 Ų54.720%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-133.2138.1-178.5-63.8-169.15.100112.7D8 F19 V20 V70D8-Q10 VanDerWaalsContact OD2-CG 3.24Å; D8-Q10 WeakPolarHBondContact OD2-CG 3.18Å; D8-Q10 PolarHBondContact OD2-NE2 2.88Å; Q10-F19 WeakPolarHBondContact O-CA 3.49Å; Q10-F19 WeakPolarHBondContact O-CB 3.17Å; Q10-V20 PolarHBondContact N-O 2.85Å; Q10-V20 PolarHBondContact O-N 3.48Å; Q10-V70 PolarHBondContact NE2-O 3.09Å; Q10-V70 PolarHBondContact OE1-O 2.89Å
11W89.1Confident75.4Confident29 Ų2952.3 Ų52.311%0.1128%0.278CS..  trans-101.4140.3176.9-57.986.4000110.8S16 F19 L32 S387 W388 H389 P390 L397W11-S16 WeakPolarHBondContact CZ3-O 3.21Å; W11-F19 HydrophobicContact CD2-CB 3.8Å; W11-F19 HydrophobicContact CE3-CB 3.62Å; W11-F19 HydrophobicContact CE3-CD1 4.38Å; W11-F19 HydrophobicContact CE3-CG 4.32Å; W11-F19 HydrophobicContact CG-CB 4.38Å; W11-F19 HydrophobicContact CH2-CB 4.46Å; W11-F19 AromaticContact CH2-CD1 3.96Å; W11-F19 HydrophobicContact CH2-CD1 3.96Å; W11-F19 HydrophobicContact CH2-CG 4.32Å; W11-F19 HydrophobicContact CZ3-CB 3.95Å; W11-F19 AromaticContact CZ3-CD1 3.81Å; W11-F19 HydrophobicContact CZ3-CD1 3.81Å; W11-F19 HydrophobicContact CZ3-CG 4.17Å; W11-L32 HydrophobicContact CH2-CD2 3.8Å; W11-L32 HydrophobicContact CZ3-CD2 4.4Å; W11-S387 PolarHBondContact NE1-OG 2.96Å; W11-S387 VanDerWaalsContact NE1-OG 3.16Å; W11-W388 PolarHBondContact NE1-O 3.11Å; W11-H389 AromaticContact CH2-CD2 3.42Å; W11-H389 VanDerWaalsContact CH2-CD2 3.42Å; W11-H389 WeakPolarHBondContact CH2-CD2 3.31Å; W11-H389 AromaticContact CH2-NE2 3.86Å; W11-H389 AromaticContact CZ2-CD2 3.8Å; W11-P390 HydrophobicContact CB-CG 4.27Å; W11-P390 VanDerWaalsContact CD2-CD 3.42Å; W11-P390 HydrophobicContact CD2-CG 3.91Å; W11-P390 HydrophobicContact CE3-CG 3.8Å; W11-P390 HydrophobicContact CG-CG 4.13Å; W11-P390 HydrophobicContact CZ3-CG 4.41Å; W11-L397 HydrophobicContact CH2-CD1 3.58Å; W11-L397 HydrophobicContact CH2-CG 4.28Å; W11-L397 HydrophobicContact CZ2-CD1 3.27Å; W11-L397 HydrophobicContact CZ2-CG 3.73Å
12P81.8Confident78.4Confident3 Ų342.3 Ų42.32%0.01923%0.229CC..  trans-63.4140.9161.230.2-34.4000109.9N14 R15 V18 W72P12-N14 VanDerWaalsContact C-N 3.26Å; P12-N14 PolarHBondContact O-N 3.01Å; P12-N14 VanDerWaalsContact O-N 3.14Å; P12-R15 HydrophobicContact CB-CB 4.49Å; P12-R15 HydrophobicContact CG-CB 3.73Å; P12-R15 PolarHBondContact O-N 2.73Å; P12-V18 WeakPolarHBondContact CD-O 3.26Å; P12-V18 WeakPolarHBondContact CG-O 3.36Å; P12-W72 HydrophobicContact CB-CD2 4.06Å; P12-W72 HydrophobicContact CB-CE3 4.1Å; P12-W72 HydrophobicContact CB-CZ3 4.37Å
13P73Confident80.8Confident61 Ų6139.9 Ų39.940%0.39621%0.205SC..THydrogen-bonded Turntrans-65.6-20.8-170.614.3-22.8000115.4V73P13-V73 WeakPolarHBondContact CG-O 3.47Å
14N70.9Confident82.5Confident97 Ų9739.9 Ų39.952%0.51921%0.207SC..THydrogen-bonded Turntrans-112.44.6-177.5-84.7-2.7000114.6P12 S75P12-N14 VanDerWaalsContact C-N 3.26Å; P12-N14 PolarHBondContact O-N 3.01Å; P12-N14 VanDerWaalsContact O-N 3.14Å; N14-S75 WeakPolarHBondContact ND2-CB 3.43Å; N14-S75 WeakPolarHBondContact OD1-CB 3.38Å; N14-S75 PolarHBondContact OD1-OG 2.79Å
15R80.3Confident84Confident62 Ų6239.6 Ų39.623%0.23420%0.196CC..  trans-132.3126.3-177.8-75-174.171.2171.95.5110.2P12 D17 V18 H87P12-R15 HydrophobicContact CB-CB 4.49Å; P12-R15 HydrophobicContact CG-CB 3.73Å; P12-R15 PolarHBondContact O-N 2.73Å; R15-D17 WeakPolarHBondContact CB-OD1 3.25Å; R15-D17 IonicContact CZ-OD1 3.26Å; R15-D17 IonicContact CZ-OD2 3.44Å; R15-D17 IonicContact NE-OD1 2.83Å; R15-D17 PolarHBondContact NE-OD1 2.86Å; R15-D17 IonicContact NE-OD2 2.77Å; R15-D17 IonicContact NH2-OD1 3.98Å; R15-D17 PolarHBondContact NH2-OD1 2.83Å; R15-D17 IonicContact NH2-OD2 2.73Å; R15-D17 PolarHBondContact NH2-OD2 3.14Å; R15-V18 VanDerWaalsContact CZ-CG2 3.43Å; R15-H87 WeakPolarHBondContact CD-NE2 3.29Å
16S83.8Confident85Confident48 Ų4841.1 Ų41.134%0.33620%0.196SC..SBendtrans-96.6-3.2173.449.90000112.8W11 H389 S391W11-S16 WeakPolarHBondContact CZ3-O 3.21Å; S16-H389 PolarHBondContact O-NE2 3.25Å; S16-S391 WeakPolarHBondContact CB-OG 3.08Å
17D86.9Confident85.4Confident45 Ų4537.4 Ų37.424%0.24118%0.179CC..SBendtrans-107.1-2.2-175.171.9-48.8000112.8R15 R31 L32R15-D17 WeakPolarHBondContact CB-OD1 3.25Å; R15-D17 IonicContact CZ-OD1 3.26Å; R15-D17 IonicContact CZ-OD2 3.44Å; R15-D17 IonicContact NE-OD1 2.83Å; R15-D17 PolarHBondContact NE-OD1 2.86Å; R15-D17 IonicContact NE-OD2 2.77Å; R15-D17 IonicContact NH2-OD1 3.98Å; R15-D17 PolarHBondContact NH2-OD1 2.83Å; R15-D17 IonicContact NH2-OD2 2.73Å; R15-D17 PolarHBondContact NH2-OD2 3.14Å; D17-R31 CarbonylContact O-C 3.56Å; D17-R31 WeakPolarHBondContact O-CA 3.27Å; D17-L32 WeakPolarHBondContact CA-O 3.42Å; D17-L32 PolarHBondContact O-N 3.14Å
18V89.2Confident85.4Confident0 Ų037.3 Ų37.30%018%0.179CC..EExtended strand (participates in β ladder)trans-138.2143.6179.1171.70000109.6P12 R15 L29 F30 R31 L58P12-V18 WeakPolarHBondContact CD-O 3.26Å; P12-V18 WeakPolarHBondContact CG-O 3.36Å; R15-V18 VanDerWaalsContact CZ-CG2 3.43Å; V18-L29 HydrophobicContact CG1-CD1 3.46Å; V18-L29 VanDerWaalsContact CG1-CD1 3.46Å; V18-L29 HydrophobicContact CG1-CG 4.17Å; V18-F30 CarbonylContact C-O 3.55Å; V18-F30 VanDerWaalsContact CA-O 3.24Å; V18-F30 WeakPolarHBondContact CA-O 3.01Å; V18-F30 WeakPolarHBondContact CG1-O 3.31Å; V18-R31 HydrophobicContact CG2-CB 4.32Å; V18-L58 HydrophobicContact CG1-CD1 4.41Å; V18-L58 HydrophobicContact CG2-CD1 3.94Å
19F91.6Very high85.3Confident0 Ų036.5 Ų36.50%018%0.175CC..EExtended strand (participates in β ladder)trans-154.7163.4175.864.6-80000111.4I9 Q10 W11 V21 F30 L32 L55 L397 L405I9-F19 HydrophobicContact CG2-CD2 3.82Å; I9-F19 HydrophobicContact CG2-CE2 4.26Å; Q10-F19 WeakPolarHBondContact O-CA 3.49Å; Q10-F19 WeakPolarHBondContact O-CB 3.17Å; W11-F19 HydrophobicContact CD2-CB 3.8Å; W11-F19 HydrophobicContact CE3-CB 3.62Å; W11-F19 HydrophobicContact CE3-CD1 4.38Å; W11-F19 HydrophobicContact CE3-CG 4.32Å; W11-F19 HydrophobicContact CG-CB 4.38Å; W11-F19 HydrophobicContact CH2-CB 4.46Å; W11-F19 AromaticContact CH2-CD1 3.96Å; W11-F19 HydrophobicContact CH2-CD1 3.96Å; W11-F19 HydrophobicContact CH2-CG 4.32Å; W11-F19 HydrophobicContact CZ3-CB 3.95Å; W11-F19 AromaticContact CZ3-CD1 3.81Å; W11-F19 HydrophobicContact CZ3-CD1 3.81Å; W11-F19 HydrophobicContact CZ3-CG 4.17Å; F19-V21 HydrophobicContact CD2-CG2 3.74Å; F19-V21 HydrophobicContact CE2-CG2 3.44Å; F19-V21 VanDerWaalsContact CE2-CG2 3.44Å; F19-F30 HydrophobicContact CD1-CB 4.05Å; F19-F30 HydrophobicContact CD2-CB 4.4Å; F19-F30 HydrophobicContact CE1-CB 3.61Å; F19-F30 HydrophobicContact CE2-CB 4.03Å; F19-F30 HydrophobicContact CE2-CD2 4.06Å; F19-F30 HydrophobicContact CE2-CG 4.32Å; F19-F30 HydrophobicContact CG-CB 4.43Å; F19-F30 HydrophobicContact CZ-CB 3.62Å; F19-F30 HydrophobicContact CZ-CD2 4.24Å; F19-F30 HydrophobicContact CZ-CG 4.07Å; F19-F30 PolarHBondContact N-O 3.06Å; F19-F30 PolarHBondContact O-N 2.99Å; F19-L32 HydrophobicContact CD1-CB 4.36Å; F19-L32 HydrophobicContact CE1-CB 4.02Å; F19-L32 HydrophobicContact CE1-CD1 4.18Å; F19-L55 HydrophobicContact CE1-CD1 3.61Å; F19-L55 HydrophobicContact CZ-CD1 3.56Å; F19-L55 HydrophobicContact CZ-CD2 4.4Å; F19-L397 HydrophobicContact CD1-CD1 4.19Å; F19-L397 HydrophobicContact CD2-CD1 4.12Å; F19-L397 HydrophobicContact CE1-CD1 3.85Å; F19-L397 HydrophobicContact CE2-CD1 3.73Å; F19-L397 HydrophobicContact CG-CD1 4.32Å; F19-L397 HydrophobicContact CZ-CD1 3.59Å; F19-L405 HydrophobicContact CE2-CD1 4.31Å; F19-L405 HydrophobicContact CE2-CD2 4.43Å; F19-L405 HydrophobicContact CZ-CD1 4.42Å
20V89.6Confident85.2Confident2 Ų237.2 Ų37.21%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-109.5141.5175.9160.90000110.8I9 Q10 V22 V27 Y28 L29 W61 W72 I89I9-V20 WeakPolarHBondContact CA-O 3.09Å; Q10-V20 PolarHBondContact N-O 2.85Å; Q10-V20 PolarHBondContact O-N 3.48Å; V20-V22 HydrophobicContact CG1-CG2 4.42Å; V20-V27 HydrophobicContact CG1-CG1 3.39Å; V20-Y28 CarbonylContact C-O 3.43Å; V20-Y28 VanDerWaalsContact CA-O 3.22Å; V20-Y28 WeakPolarHBondContact CA-O 3.12Å; V20-L29 HydrophobicContact CG2-CD1 3.72Å; V20-W61 HydrophobicContact CG2-CZ3 4.48Å; V20-W72 HydrophobicContact CB-CZ2 4.19Å; V20-W72 HydrophobicContact CG2-CH2 4.34Å; V20-W72 HydrophobicContact CG2-CZ2 3.53Å; V20-I89 HydrophobicContact CB-CD1 4.47Å; V20-I89 HydrophobicContact CG1-CD1 4.39Å; V20-I89 HydrophobicContact CG2-CD1 4.02Å
21V90.8Very high85.2Confident4 Ų439.3 Ų39.32%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-119.8121.4171.6179.10000109D8 I9 F19 V27 Y28 F30 L399 L405D8-V21 WeakPolarHBondContact O-CA 3.39Å; I9-V21 HydrophobicContact CG1-CG2 4.48Å; I9-V21 HydrophobicContact CG2-CG2 4.5Å; F19-V21 HydrophobicContact CD2-CG2 3.74Å; F19-V21 HydrophobicContact CE2-CG2 3.44Å; F19-V21 VanDerWaalsContact CE2-CG2 3.44Å; V21-V27 WeakPolarHBondContact O-CA 3.36Å; V21-Y28 PolarHBondContact N-O 2.94Å; V21-Y28 PolarHBondContact O-N 3.26Å; V21-F30 HydrophobicContact CB-CD2 4.22Å; V21-F30 HydrophobicContact CB-CE2 4.04Å; V21-F30 HydrophobicContact CG2-CD2 3.77Å; V21-F30 HydrophobicContact CG2-CE2 3.91Å; V21-L399 HydrophobicContact CG1-CD1 4.42Å; V21-L399 HydrophobicContact CG1-CD2 3.95Å; V21-L405 HydrophobicContact CG2-CD1 3.99Å; V21-L405 HydrophobicContact CG2-CD2 3.93Å
22V88.2Confident85.3Confident5 Ų538.2 Ų38.23%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-90.9125.2169.3-176.80000107.3Y7 D8 V20 P67 V70Y7-V22 WeakPolarHBondContact CA-O 3.14Å; D8-V22 HydrophobicContact CB-CB 4.47Å; D8-V22 PolarHBondContact N-O 3.34Å; D8-V22 PolarHBondContact O-N 3.11Å; V20-V22 HydrophobicContact CG1-CG2 4.42Å; V22-P67 HydrophobicContact CG1-CG 3.83Å; V22-V70 HydrophobicContact CG2-CB 4.26Å; V22-V70 HydrophobicContact CG2-CG2 3.68Å
23W86.2Confident85.6Confident63 Ų6342.3 Ų42.324%0.23920%0.199CC..EExtended strand (participates in β ladder)trans-139.299.7176-174.679.3000109.5E6 Y7 Q25 Y26 Y28E6-W23 CarbonylContact O-C 3.58Å; E6-W23 WeakPolarHBondContact O-CA 3.39Å; Y7-W23 AromaticContact CD1-CD1 3.7Å; Y7-W23 HydrophobicContact CD1-CG 4.48Å; Y7-W23 AromaticContact CE1-CD1 3.62Å; Y7-W23 HydrophobicContact CE1-CG 4.41Å; Y7-W23 AromaticContact CE1-NE1 3.86Å; W23-Q25 PolarHBondContact O-N 2.88Å; W23-Q25 VanDerWaalsContact O-N 3.09Å; W23-Y26 AromaticContact CE3-CD2 3.88Å; W23-Y26 HydrophobicContact CE3-CD2 3.88Å; W23-Y26 HydrophobicContact CZ3-CD2 4.08Å; W23-Y26 HydrophobicContact CZ3-CE2 4.33Å; W23-Y26 PolarHBondContact N-O 3.45Å; W23-Y26 PolarHBondContact O-N 3.28Å; W23-Y28 HydrophobicContact CB-CE2 4.26Å; W23-Y28 HydrophobicContact CE3-CE2 4.49Å
24K85Confident86.1Confident96 Ų9646.7 Ų46.742%0.41721%0.214SC..THydrogen-bonded Turntrans56.2-108.1-174-57.5178.9177.1179.90111.3E6 Y7 P67E6-K24 PolarHBondContact O-N 3.08Å; Y7-K24 HydrophobicContact CE1-CG 4.01Å; Y7-K24 WeakPolarHBondContact OH-CE 3.38Å; K24-P67 WeakPolarHBondContact O-CD 3.36Å
25Q79.9Confident86.4Confident77 Ų7743.4 Ų43.436%0.3620%0.2SC..THydrogen-bonded Turntrans-94.5-2.6-178.870.1-172.511.100114.4W23W23-Q25 PolarHBondContact O-N 2.88Å; W23-Q25 VanDerWaalsContact O-N 3.09Å
26Y83.4Confident86Confident73 Ų7346.6 Ų46.629%0.28623%0.232SC..EExtended strand (participates in β ladder)trans-106.2138.8-176-59.2-81.8000110.6W23 Y28 I60 W61W23-Y26 AromaticContact CE3-CD2 3.88Å; W23-Y26 HydrophobicContact CE3-CD2 3.88Å; W23-Y26 HydrophobicContact CZ3-CD2 4.08Å; W23-Y26 HydrophobicContact CZ3-CE2 4.33Å; W23-Y26 PolarHBondContact N-O 3.45Å; W23-Y26 PolarHBondContact O-N 3.28Å; Y26-Y28 HydrophobicContact CG-CE2 4.23Å; Y26-I60 HydrophobicContact CD1-CG2 4.36Å; Y26-W61 WeakPolarHBondContact CA-O 3.09Å
27V84.4Confident84.8Confident5 Ų547.7 Ų47.73%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-116.3114.7169.2-174.90000106.8V20 V21 W61 P67 I91V20-V27 HydrophobicContact CG1-CG1 3.39Å; V21-V27 WeakPolarHBondContact O-CA 3.36Å; V27-W61 HydrophobicContact CB-CB 4.3Å; V27-W61 HydrophobicContact CB-CE3 4.02Å; V27-W61 HydrophobicContact CG1-CE3 3.81Å; V27-W61 HydrophobicContact CG1-CZ3 4.21Å; V27-W61 PolarHBondContact N-O 2.8Å; V27-W61 PolarHBondContact O-N 2.91Å; V27-P67 HydrophobicContact CG2-CB 4.24Å; V27-P67 HydrophobicContact CG2-CG 3.71Å; V27-I91 HydrophobicContact CG1-CD1 4.37Å; V27-I91 HydrophobicContact CG2-CD1 4.38Å
28Y87.5Confident83.5Confident53 Ų5348.8 Ų48.821%0.20826%0.255CS..EExtended strand (participates in β ladder)trans-99.6133.8178.5-63.6-94.2000109.6V20 V21 W23 Y26 F30 I60V20-Y28 CarbonylContact C-O 3.43Å; V20-Y28 VanDerWaalsContact CA-O 3.22Å; V20-Y28 WeakPolarHBondContact CA-O 3.12Å; V21-Y28 PolarHBondContact N-O 2.94Å; V21-Y28 PolarHBondContact O-N 3.26Å; W23-Y28 HydrophobicContact CB-CE2 4.26Å; W23-Y28 HydrophobicContact CE3-CE2 4.49Å; Y26-Y28 HydrophobicContact CG-CE2 4.23Å; Y28-F30 HydrophobicContact CD1-CE2 4.44Å; Y28-F30 HydrophobicContact CD1-CZ 4.32Å; Y28-F30 AromaticContact CG-CE2 3.96Å; Y28-F30 HydrophobicContact CG-CE2 3.96Å; Y28-F30 HydrophobicContact CG-CZ 4.28Å; Y28-I60 HydrophobicContact CD1-CB 4.46Å; Y28-I60 HydrophobicContact CD1-CD1 4.07Å; Y28-I60 HydrophobicContact CD1-CG1 3.76Å; Y28-I60 HydrophobicContact CD1-CG2 4.1Å; Y28-I60 HydrophobicContact CE1-CD1 3.81Å; Y28-I60 HydrophobicContact CE1-CG1 3.96Å; Y28-I60 HydrophobicContact CE1-CG2 3.89Å
29L87.9Confident82Confident2 Ų256.3 Ų56.31%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-98.9120.2165.4-175.568.4000108.8V18 V20 L58 N59 W61 L103 P104V18-L29 HydrophobicContact CG1-CD1 3.46Å; V18-L29 VanDerWaalsContact CG1-CD1 3.46Å; V18-L29 HydrophobicContact CG1-CG 4.17Å; V20-L29 HydrophobicContact CG2-CD1 3.72Å; L29-L58 HydrophobicContact CB-CB 4.28Å; L29-L58 HydrophobicContact CD2-CB 3.72Å; L29-L58 HydrophobicContact CD2-CD1 3.95Å; L29-L58 HydrophobicContact CG-CB 3.89Å; L29-L58 HydrophobicContact CG-CD1 4.12Å; L29-L58 PolarHBondContact O-N 3.46Å; L29-N59 HydrophobicContact CB-CB 4Å; L29-N59 HydrophobicContact CD2-CB 4.23Å; L29-N59 PolarHBondContact N-O 3.32Å; L29-N59 PolarHBondContact O-N 2.98Å; L29-W61 HydrophobicContact CB-CH2 3.76Å; L29-W61 HydrophobicContact CB-CZ3 3.64Å; L29-W61 HydrophobicContact CD2-CH2 4.06Å; L29-W61 HydrophobicContact CG-CH2 4.34Å; L29-L103 HydrophobicContact CD1-CD2 3.56Å; L29-L103 HydrophobicContact CD2-CD2 3.44Å; L29-L103 VanDerWaalsContact CD2-CD2 3.44Å; L29-L103 HydrophobicContact CG-CD2 4.15Å; L29-P104 HydrophobicContact CD2-CG 4.28Å
30F90.6Very high80.2Confident14 Ų1458 Ų586%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-112.7148.3179.1-77.3-75.7000111.5V18 F19 V21 Y28 F45 L55 S56 V57 L405V18-F30 CarbonylContact C-O 3.55Å; V18-F30 VanDerWaalsContact CA-O 3.24Å; V18-F30 WeakPolarHBondContact CA-O 3.01Å; V18-F30 WeakPolarHBondContact CG1-O 3.31Å; F19-F30 HydrophobicContact CD1-CB 4.05Å; F19-F30 HydrophobicContact CD2-CB 4.4Å; F19-F30 HydrophobicContact CE1-CB 3.61Å; F19-F30 HydrophobicContact CE2-CB 4.03Å; F19-F30 HydrophobicContact CE2-CD2 4.06Å; F19-F30 HydrophobicContact CE2-CG 4.32Å; F19-F30 HydrophobicContact CG-CB 4.43Å; F19-F30 HydrophobicContact CZ-CB 3.62Å; F19-F30 HydrophobicContact CZ-CD2 4.24Å; F19-F30 HydrophobicContact CZ-CG 4.07Å; F19-F30 PolarHBondContact N-O 3.06Å; F19-F30 PolarHBondContact O-N 2.99Å; V21-F30 HydrophobicContact CB-CD2 4.22Å; V21-F30 HydrophobicContact CB-CE2 4.04Å; V21-F30 HydrophobicContact CG2-CD2 3.77Å; V21-F30 HydrophobicContact CG2-CE2 3.91Å; Y28-F30 HydrophobicContact CD1-CE2 4.44Å; Y28-F30 HydrophobicContact CD1-CZ 4.32Å; Y28-F30 AromaticContact CG-CE2 3.96Å; Y28-F30 HydrophobicContact CG-CE2 3.96Å; Y28-F30 HydrophobicContact CG-CZ 4.28Å; F30-F45 HydrophobicContact CE1-CE1 4.22Å; F30-F45 HydrophobicContact CE1-CZ 4.06Å; F30-L55 HydrophobicContact CB-CD1 3.55Å; F30-L55 HydrophobicContact CD1-CD1 3.47Å; F30-L55 VanDerWaalsContact CD1-CD1 3.47Å; F30-L55 HydrophobicContact CD1-CD2 3.98Å; F30-L55 HydrophobicContact CD1-CG 3.58Å; F30-L55 HydrophobicContact CE1-CD1 4.34Å; F30-L55 HydrophobicContact CE1-CD2 4.07Å; F30-L55 HydrophobicContact CE1-CG 4.01Å; F30-L55 HydrophobicContact CG-CD1 3.71Å; F30-L55 HydrophobicContact CG-CD2 4.5Å; F30-L55 HydrophobicContact CG-CG 4.27Å; F30-S56 CarbonylContact C-O 3.57Å; F30-S56 WeakPolarHBondContact CA-O 3.42Å; F30-V57 HydrophobicContact CD1-CG2 4.02Å; F30-V57 HydrophobicContact CE1-CB 4.43Å; F30-V57 HydrophobicContact CE1-CG2 3.44Å; F30-V57 VanDerWaalsContact CE1-CG2 3.44Å; F30-V57 HydrophobicContact CZ-CG2 4.16Å; F30-L405 HydrophobicContact CD2-CD1 4.08Å; F30-L405 HydrophobicContact CE1-CD1 4.45Å; F30-L405 HydrophobicContact CE2-CD1 3.64Å; F30-L405 HydrophobicContact CZ-CD1 3.86Å
31R89.8Confident78.9Confident87 Ų8764 Ų6433%0.32834%0.34SS..EExtended strand (participates in β ladder)trans-109.1135.7163.4166.8179.1-94-174.8-2.6110D17 V18 E33 L55 S56 L58D17-R31 CarbonylContact O-C 3.56Å; D17-R31 WeakPolarHBondContact O-CA 3.27Å; V18-R31 HydrophobicContact CG2-CB 4.32Å; R31-E33 WeakPolarHBondContact CD-OE1 2.95Å; R31-E33 HydrophobicContact CG-CG 4.12Å; R31-E33 IonicContact NE-OE1 3.37Å; R31-E33 IonicContact NH1-OE1 3.81Å; R31-L55 WeakPolarHBondContact O-CA 3.33Å; R31-L55 WeakPolarHBondContact O-CD1 3.21Å; R31-S56 WeakPolarHBondContact CB-OG 3.2Å; R31-S56 PolarHBondContact N-O 3.43Å; R31-S56 PolarHBondContact O-N 3.5Å; R31-S56 PolarHBondContact O-OG 3.09Å; R31-L58 HydrophobicContact CB-CD1 3.77Å; R31-L58 HydrophobicContact CB-CD2 3.94Å; R31-L58 HydrophobicContact CB-CG 3.7Å
32L90.5Very high77.5Confident6 Ų669.9 Ų69.93%0.03138%0.381CS..EExtended strand (participates in β ladder)trans-116.7121-179.4-162.274000109.5W11 D17 F19 I47 F53 L55W11-L32 HydrophobicContact CH2-CD2 3.8Å; W11-L32 HydrophobicContact CZ3-CD2 4.4Å; D17-L32 WeakPolarHBondContact CA-O 3.42Å; D17-L32 PolarHBondContact O-N 3.14Å; F19-L32 HydrophobicContact CD1-CB 4.36Å; F19-L32 HydrophobicContact CE1-CB 4.02Å; F19-L32 HydrophobicContact CE1-CD1 4.18Å; L32-I47 HydrophobicContact CD1-CD1 4.02Å; L32-I47 HydrophobicContact CD1-CG1 4.45Å; L32-F53 HydrophobicContact CD1-CB 3.34Å; L32-F53 HydrophobicContact CD1-CD1 4.41Å; L32-F53 HydrophobicContact CD1-CD2 4.49Å; L32-F53 HydrophobicContact CD1-CG 3.87Å; L32-F53 HydrophobicContact CD2-CB 4.27Å; L32-F53 HydrophobicContact CD2-CD1 3.86Å; L32-F53 HydrophobicContact CD2-CD2 4.25Å; L32-F53 HydrophobicContact CD2-CE1 4.23Å; L32-F53 HydrophobicContact CD2-CG 3.87Å; L32-F53 HydrophobicContact CG-CB 3.7Å; L32-F53 HydrophobicContact CG-CD1 3.83Å; L32-F53 HydrophobicContact CG-CG 3.8Å; L32-L55 HydrophobicContact CD1-CD1 3.99Å
33E88.4Confident76.5Confident88 Ų8875.6 Ų75.641%0.41141%0.411SS..EExtended strand (participates in β ladder)trans-125.3153.4175.3-67.2178.8177.200109.6R31 A35 F53 L54R31-E33 WeakPolarHBondContact CD-OE1 2.95Å; R31-E33 HydrophobicContact CG-CG 4.12Å; R31-E33 IonicContact NE-OE1 3.37Å; R31-E33 IonicContact NH1-OE1 3.81Å; E33-A35 PolarHBondContact O-N 3.09Å; E33-F53 CarbonylContact O-C 3.49Å; E33-F53 WeakPolarHBondContact O-CA 3.35Å; E33-F53 WeakPolarHBondContact O-CB 3.44Å; E33-L54 PolarHBondContact N-O 2.87Å; E33-L54 PolarHBondContact O-N 2.97Å
34Q82.8Confident76Confident154 Ų15473.5 Ų73.572%0.7241%0.406SS*.EExtended strand (participates in β ladder)trans-72.7126.6175.4-172.5167.8000109.4S36Q34-S36 PolarHBondContact O-N 2.83Å
35A78.5Confident76Confident27 Ų2773.2 Ų73.222%0.22341%0.405CS..  trans-73.3118.6-175.800000110.8E33 I46 R52E33-A35 PolarHBondContact O-N 3.09Å; A35-I46 HydrophobicContact CB-CD1 4.48Å; A35-I46 HydrophobicContact CB-CG2 4.45Å; A35-R52 HydrophobicContact CB-CB 3.94Å; A35-R52 PolarHBondContact N-O 2.83Å
36S70.3Confident76.2Confident129 Ų12972.1 Ų72.190%0.90240%0.401SS*.  trans-90.2-26.7174.356.50000113.1Q34Q34-S36 PolarHBondContact O-N 2.83Å
37S59.9Low76.4Confident72 Ų7269 Ų6950%0.50339%0.389SS..SBendtrans-115.2160.2-178.464.60000112.1H39S37-H39 VanDerWaalsContact C-N 3.28Å; S37-H39 PolarHBondContact O-N 3.03Å; S37-H39 PolarHBondContact OG-O 2.86Å; S37-H39 VanDerWaalsContact OG-O 3.12Å
38A59.7Low76.4Confident68 Ų6869.6 Ų69.656%0.56240%0.396SS*.SBendtrans-77.4-9.6179.800000114.2
39H56.8Low75.9Confident158 Ų15870 Ų7073%0.73141%0.407SS*.  trans-126.8131.6-174.2-63-57.2000110.6S37S37-H39 VanDerWaalsContact C-N 3.28Å; S37-H39 PolarHBondContact O-N 3.03Å; S37-H39 PolarHBondContact OG-O 2.86Å; S37-H39 VanDerWaalsContact OG-O 3.12Å
40G54.3Low75.1Confident35 Ų3577 Ų7736%0.36144%0.437SS..  trans-83.8158.7168.100000111.2
41D62.1Low74.5Confident129 Ų12978 Ų7869%0.6944%0.443SS*.  trans-77.3174.7171.8-66-36.3000110.6N43 S44D41-N43 PolarHBondContact O-N 3.23Å; D41-S44 PolarHBondContact N-OG 2.73Å; D41-S44 PolarHBondContact O-N 3.25Å
42S61.5Low74.2Confident127 Ų12780.1 Ų80.189%0.88845%0.451SS*.THydrogen-bonded Turntrans-56.7-24.6-177.952.60000115.4
43N67.7Low74.1Confident125 Ų12580.6 Ų80.667%0.66845%0.453SS*.THydrogen-bonded Turntrans-108.67.8179.2-78.9-9000114.1D41D41-N43 PolarHBondContact O-N 3.23Å
44S75.6Confident74.2Confident18 Ų1878.1 Ų78.113%0.12644%0.442CS..EExtended strand (participates in β ladder)trans-132.5142.7-178.359.70000111.6D41 L54 L55D41-S44 PolarHBondContact N-OG 2.73Å; D41-S44 PolarHBondContact O-N 3.25Å; S44-L54 WeakPolarHBondContact OG-CD1 3.43Å; S44-L55 CarbonylContact C-O 3.5Å; S44-L55 WeakPolarHBondContact CA-O 3.15Å
45F83.6Confident74.5Confident90 Ų9070.8 Ų70.840%0.39541%0.408SS..EExtended strand (participates in β ladder)trans-133.5144.5-179.356.7-84.8000110.7F30 I47 L55F30-F45 HydrophobicContact CE1-CE1 4.22Å; F30-F45 HydrophobicContact CE1-CZ 4.06Å; F45-I47 HydrophobicContact CD2-CG2 3.92Å; F45-I47 HydrophobicContact CE2-CG2 3.99Å; F45-L55 HydrophobicContact CD2-CB 4.26Å; F45-L55 HydrophobicContact CD2-CD2 4.3Å; F45-L55 HydrophobicContact CE1-CB 4.46Å; F45-L55 HydrophobicContact CE1-CD2 4.24Å; F45-L55 HydrophobicContact CE1-CG 4.19Å; F45-L55 HydrophobicContact CE2-CB 4.1Å; F45-L55 HydrophobicContact CE2-CD2 3.37Å; F45-L55 HydrophobicContact CE2-CG 4.02Å; F45-L55 HydrophobicContact CZ-CB 4.19Å; F45-L55 HydrophobicContact CZ-CD2 3.31Å; F45-L55 HydrophobicContact CZ-CG 3.75Å; F45-L55 PolarHBondContact N-O 3.28Å; F45-L55 WeakPolarHBondContact O-CB 3.1Å; F45-L55 PolarHBondContact O-N 3.39Å
46I85Confident75Confident54 Ų5470.7 Ų70.728%0.27741%0.406SS..EExtended strand (participates in β ladder)trans-89.4130.3-175.5-61.2173.7000109.4A35 R52 F53 L54A35-I46 HydrophobicContact CB-CD1 4.48Å; A35-I46 HydrophobicContact CB-CG2 4.45Å; I46-R52 HydrophobicContact CG2-CB 4.02Å; I46-R52 HydrophobicContact CG2-CG 4.44Å; I46-F53 CarbonylContact C-O 3.54Å; I46-F53 VanDerWaalsContact CA-O 3.27Å; I46-F53 WeakPolarHBondContact CA-O 3.29Å; I46-L54 HydrophobicContact CG1-CD1 3.95Å
47I88Confident75.7Confident7 Ų767.7 Ų67.74%0.03638%0.382CS..EExtended strand (participates in β ladder)trans-117.5148.917362.5169.3000111.2L32 F45 R52 F53 L55 L397 V407L32-I47 HydrophobicContact CD1-CD1 4.02Å; L32-I47 HydrophobicContact CD1-CG1 4.45Å; F45-I47 HydrophobicContact CD2-CG2 3.92Å; F45-I47 HydrophobicContact CE2-CG2 3.99Å; I47-R52 WeakPolarHBondContact O-CA 3.23Å; I47-F53 HydrophobicContact CG1-CB 4.07Å; I47-F53 PolarHBondContact N-O 2.9Å; I47-F53 PolarHBondContact O-N 2.69Å; I47-L55 HydrophobicContact CD1-CD2 4.21Å; I47-L55 HydrophobicContact CG2-CD2 4.41Å; I47-L397 HydrophobicContact CD1-CD2 3.86Å; I47-V407 HydrophobicContact CB-CG2 4.33Å; I47-V407 HydrophobicContact CD1-CG2 3.92Å; I47-V407 HydrophobicContact CG1-CG2 3.87Å
48G84.4Confident76.8Confident18 Ų1867.9 Ų67.919%0.18638%0.377CS..  trans88.6160.8-178.800000114.4L51G48-L51 WeakPolarHBondContact CA-O 3.44Å
49S76.2Confident77.8Confident62 Ų6267.3 Ų67.343%0.43436%0.364SS..SBendtrans-106.9-56.1-17959.30000113R52 S376S49-R52 WeakPolarHBondContact O-CG 3.41Å; S49-R52 PolarHBondContact O-NE 2.67Å; S49-S376 PolarHBondContact N-OG 3.19Å
50K72.2Confident78.9Confident148 Ų14863.7 Ų63.764%0.64335%0.35SS*.SBendtrans-84.9-56177.8-71.8-174.3177.9-169.40111.9Q409K50-Q409 VanDerWaalsContact CB-OE1 3.26Å
51L77Confident80Confident37 Ų3764.8 Ų64.819%0.19434%0.343CS..SBendtrans-90.3103.9165.9-72.9169.4000107.4G48 F53 N392 C395 Q409G48-L51 WeakPolarHBondContact CA-O 3.44Å; L51-F53 HydrophobicContact CB-CE2 4.04Å; L51-F53 HydrophobicContact CB-CZ 4.35Å; L51-N392 WeakPolarHBondContact CD1-ND2 3.45Å; L51-C395 HydrophobicContact CD1-CB 4.47Å; L51-Q409 HydrophobicContact CD1-CG 4.04Å
52R83.9Confident80.5Confident131 Ų13162.5 Ų62.549%0.49434%0.337SS..  trans-97.2128.5179.2-63.1-174.7-177.6-177.5-1.1109.6A35 I46 I47 S49A35-R52 HydrophobicContact CB-CB 3.94Å; A35-R52 PolarHBondContact N-O 2.83Å; I46-R52 HydrophobicContact CG2-CB 4.02Å; I46-R52 HydrophobicContact CG2-CG 4.44Å; I47-R52 WeakPolarHBondContact O-CA 3.23Å; S49-R52 WeakPolarHBondContact O-CG 3.41Å; S49-R52 PolarHBondContact O-NE 2.67Å
53F88.7Confident80.5Confident15 Ų1560.7 Ų60.77%0.06632%0.318CS..EExtended strand (participates in β ladder)trans-119.7138.6174.2-59.9-78.8000110.5L32 E33 I46 I47 L51 V407L32-F53 HydrophobicContact CD1-CB 3.34Å; L32-F53 HydrophobicContact CD1-CD1 4.41Å; L32-F53 HydrophobicContact CD1-CD2 4.49Å; L32-F53 HydrophobicContact CD1-CG 3.87Å; L32-F53 HydrophobicContact CD2-CB 4.27Å; L32-F53 HydrophobicContact CD2-CD1 3.86Å; L32-F53 HydrophobicContact CD2-CD2 4.25Å; L32-F53 HydrophobicContact CD2-CE1 4.23Å; L32-F53 HydrophobicContact CD2-CG 3.87Å; L32-F53 HydrophobicContact CG-CB 3.7Å; L32-F53 HydrophobicContact CG-CD1 3.83Å; L32-F53 HydrophobicContact CG-CG 3.8Å; E33-F53 CarbonylContact O-C 3.49Å; E33-F53 WeakPolarHBondContact O-CA 3.35Å; E33-F53 WeakPolarHBondContact O-CB 3.44Å; I46-F53 CarbonylContact C-O 3.54Å; I46-F53 VanDerWaalsContact CA-O 3.27Å; I46-F53 WeakPolarHBondContact CA-O 3.29Å; I47-F53 HydrophobicContact CG1-CB 4.07Å; I47-F53 PolarHBondContact N-O 2.9Å; I47-F53 PolarHBondContact O-N 2.69Å; L51-F53 HydrophobicContact CB-CE2 4.04Å; L51-F53 HydrophobicContact CB-CZ 4.35Å; F53-V407 HydrophobicContact CD2-CG2 3.66Å; F53-V407 HydrophobicContact CE2-CG1 4.34Å; F53-V407 HydrophobicContact CE2-CG2 4.04Å
54L89.5Confident80.2Confident36 Ų3662.6 Ų62.619%0.18833%0.328CS..EExtended strand (participates in β ladder)trans-82.2119.8165.9-17167.5000108.3E33 S44 I46E33-L54 PolarHBondContact N-O 2.87Å; E33-L54 PolarHBondContact O-N 2.97Å; S44-L54 WeakPolarHBondContact OG-CD1 3.43Å; I46-L54 HydrophobicContact CG1-CD1 3.95Å
55L89.9Confident79.4Confident0 Ų064.4 Ų64.40%034%0.338CS..EExtended strand (participates in β ladder)trans-105.7123.9179.6-174.657.7000109.3F19 F30 R31 L32 S44 F45 I47 L405F19-L55 HydrophobicContact CE1-CD1 3.61Å; F19-L55 HydrophobicContact CZ-CD1 3.56Å; F19-L55 HydrophobicContact CZ-CD2 4.4Å; F30-L55 HydrophobicContact CB-CD1 3.55Å; F30-L55 HydrophobicContact CD1-CD1 3.47Å; F30-L55 VanDerWaalsContact CD1-CD1 3.47Å; F30-L55 HydrophobicContact CD1-CD2 3.98Å; F30-L55 HydrophobicContact CD1-CG 3.58Å; F30-L55 HydrophobicContact CE1-CD1 4.34Å; F30-L55 HydrophobicContact CE1-CD2 4.07Å; F30-L55 HydrophobicContact CE1-CG 4.01Å; F30-L55 HydrophobicContact CG-CD1 3.71Å; F30-L55 HydrophobicContact CG-CD2 4.5Å; F30-L55 HydrophobicContact CG-CG 4.27Å; R31-L55 WeakPolarHBondContact O-CA 3.33Å; R31-L55 WeakPolarHBondContact O-CD1 3.21Å; L32-L55 HydrophobicContact CD1-CD1 3.99Å; S44-L55 CarbonylContact C-O 3.5Å; S44-L55 WeakPolarHBondContact CA-O 3.15Å; F45-L55 HydrophobicContact CD2-CB 4.26Å; F45-L55 HydrophobicContact CD2-CD2 4.3Å; F45-L55 HydrophobicContact CE1-CB 4.46Å; F45-L55 HydrophobicContact CE1-CD2 4.24Å; F45-L55 HydrophobicContact CE1-CG 4.19Å; F45-L55 HydrophobicContact CE2-CB 4.1Å; F45-L55 HydrophobicContact CE2-CD2 3.37Å; F45-L55 HydrophobicContact CE2-CG 4.02Å; F45-L55 HydrophobicContact CZ-CB 4.19Å; F45-L55 HydrophobicContact CZ-CD2 3.31Å; F45-L55 HydrophobicContact CZ-CG 3.75Å; F45-L55 PolarHBondContact N-O 3.28Å; F45-L55 WeakPolarHBondContact O-CB 3.1Å; F45-L55 PolarHBondContact O-N 3.39Å; I47-L55 HydrophobicContact CD1-CD2 4.21Å; I47-L55 HydrophobicContact CG2-CD2 4.41Å; L55-L405 HydrophobicContact CD2-CB 4.19Å; L55-L405 HydrophobicContact CD2-CD1 3.65Å
56S87.9Confident78.6Confident26 Ų2662.6 Ų62.618%0.18234%0.336CS..EExtended strand (participates in β ladder)trans-124.5140.5177.154.90000110.9F30 R31 L58F30-S56 CarbonylContact C-O 3.57Å; F30-S56 WeakPolarHBondContact CA-O 3.42Å; R31-S56 WeakPolarHBondContact CB-OG 3.2Å; R31-S56 PolarHBondContact N-O 3.43Å; R31-S56 PolarHBondContact O-N 3.5Å; R31-S56 PolarHBondContact O-OG 3.09Å; S56-L58 PolarHBondContact O-N 3.3Å
57V86.6Confident78.1Confident65 Ų6560.5 Ų60.539%0.39433%0.326SS..EExtended strand (participates in β ladder)trans-81118.8175.3-1780000108.3F30 I60F30-V57 HydrophobicContact CD1-CG2 4.02Å; F30-V57 HydrophobicContact CE1-CB 4.43Å; F30-V57 HydrophobicContact CE1-CG2 3.44Å; F30-V57 VanDerWaalsContact CE1-CG2 3.44Å; F30-V57 HydrophobicContact CZ-CG2 4.16Å; V57-I60 HydrophobicContact CG1-CD1 4.08Å; V57-I60 HydrophobicContact CG1-CG1 3.7Å
58L82.7Confident77.6Confident76 Ų7661.8 Ų61.840%0.39833%0.332SS..EExtended strand (participates in β ladder)trans-87.9-38.8173.8-68.6-176.9000112.1V18 L29 R31 S56V18-L58 HydrophobicContact CG1-CD1 4.41Å; V18-L58 HydrophobicContact CG2-CD1 3.94Å; L29-L58 HydrophobicContact CB-CB 4.28Å; L29-L58 HydrophobicContact CD2-CB 3.72Å; L29-L58 HydrophobicContact CD2-CD1 3.95Å; L29-L58 HydrophobicContact CG-CB 3.89Å; L29-L58 HydrophobicContact CG-CD1 4.12Å; L29-L58 PolarHBondContact O-N 3.46Å; R31-L58 HydrophobicContact CB-CD1 3.77Å; R31-L58 HydrophobicContact CB-CD2 3.94Å; R31-L58 HydrophobicContact CB-CG 3.7Å; S56-L58 PolarHBondContact O-N 3.3Å
59N80.5Confident77.6Confident56 Ų5661.3 Ų61.330%0.29933%0.325SS..EExtended strand (participates in β ladder)trans-159.7159.4-179.3-151.4-7.1000111.9L29 W61 P104L29-N59 HydrophobicContact CB-CB 4Å; L29-N59 HydrophobicContact CD2-CB 4.23Å; L29-N59 PolarHBondContact N-O 3.32Å; L29-N59 PolarHBondContact O-N 2.98Å; N59-W61 HydrophobicContact CB-CH2 4.21Å; N59-W61 HydrophobicContact CB-CZ2 4.2Å; N59-P104 HydrophobicContact CB-CG 4.34Å
60I80.7Confident78Confident83 Ų8358.8 Ų58.843%0.42631%0.308SS..EExtended strand (participates in β ladder)trans-135.7123.8175.8-51.2176.3000107.9Y26 Y28 V57Y26-I60 HydrophobicContact CD1-CG2 4.36Å; Y28-I60 HydrophobicContact CD1-CB 4.46Å; Y28-I60 HydrophobicContact CD1-CD1 4.07Å; Y28-I60 HydrophobicContact CD1-CG1 3.76Å; Y28-I60 HydrophobicContact CD1-CG2 4.1Å; Y28-I60 HydrophobicContact CE1-CD1 3.81Å; Y28-I60 HydrophobicContact CE1-CG1 3.96Å; Y28-I60 HydrophobicContact CE1-CG2 3.89Å; V57-I60 HydrophobicContact CG1-CD1 4.08Å; V57-I60 HydrophobicContact CG1-CG1 3.7Å
61W75.8Confident78.8Confident58 Ų5852.1 Ų52.122%0.2228%0.28CS..EExtended strand (participates in β ladder)trans-105.7125.2168.8-57.2-85.6000109.1V20 Y26 V27 L29 N59 M101V20-W61 HydrophobicContact CG2-CZ3 4.48Å; Y26-W61 WeakPolarHBondContact CA-O 3.09Å; V27-W61 HydrophobicContact CB-CB 4.3Å; V27-W61 HydrophobicContact CB-CE3 4.02Å; V27-W61 HydrophobicContact CG1-CE3 3.81Å; V27-W61 HydrophobicContact CG1-CZ3 4.21Å; V27-W61 PolarHBondContact N-O 2.8Å; V27-W61 PolarHBondContact O-N 2.91Å; L29-W61 HydrophobicContact CB-CH2 3.76Å; L29-W61 HydrophobicContact CB-CZ3 3.64Å; L29-W61 HydrophobicContact CD2-CH2 4.06Å; L29-W61 HydrophobicContact CG-CH2 4.34Å; N59-W61 HydrophobicContact CB-CH2 4.21Å; N59-W61 HydrophobicContact CB-CZ2 4.2Å; W61-M101 HydrophobicContact CD2-CE 4.15Å; W61-M101 HydrophobicContact CG-CE 4.17Å
62S72.6Confident79.3Confident81 Ų8151.2 Ų51.257%0.56627%0.274SS*.EExtended strand (participates in β ladder)trans-119.7125.717257.70000109.4
63N62.9Low79.3Confident89 Ų8945 Ų4548%0.47625%0.251SS..  trans-116.1154.8169.2-110.6-14.4000108.7V65N63-V65 WeakPolarHBondContact CB-O 3.21Å; N63-V65 PolarHBondContact O-N 2.81Å; N63-V65 VanDerWaalsContact O-N 3.11Å
64N60.4Low78.9Confident165 Ų16545 Ų4588%0.88225%0.252SS*.SBendtrans-64.2-12.7173.4-71.3-17.7000113.1
65V59.8Low78.1Confident55 Ų5545 Ų4533%0.33326%0.255SS..SBendtrans-123.5130.3179.2-179.80000108.3N63 N94N63-V65 WeakPolarHBondContact CB-O 3.21Å; N63-V65 PolarHBondContact O-N 2.81Å; N63-V65 VanDerWaalsContact O-N 3.11Å; V65-N94 WeakPolarHBondContact CB-OD1 3.42Å; V65-N94 WeakPolarHBondContact CG2-OD1 3.46Å
66S65.9Low77Confident52 Ų5246 Ų4636%0.36426%0.262SS..  trans-60.3131.7179.654.50000111.2Q68S66-Q68 PolarHBondContact O-N 2.62Å
67P74.7Confident75.7Confident10 Ų1052.4 Ų52.47%0.06529%0.294CS..  trans-56.9131.3172.827.5-36.3000109.2V22 K24 V27 V70 I91 T92V22-P67 HydrophobicContact CG1-CG 3.83Å; K24-P67 WeakPolarHBondContact O-CD 3.36Å; V27-P67 HydrophobicContact CG2-CB 4.24Å; V27-P67 HydrophobicContact CG2-CG 3.71Å; P67-V70 HydrophobicContact CB-CG2 4.41Å; P67-I91 HydrophobicContact CB-CG2 3.72Å; P67-T92 WeakPolarHBondContact CA-O 3.34Å
68Q77.4Confident74.4Confident35 Ų3556 Ų5616%0.16431%0.305CS..  trans-82.3-42.9-178.7-68.1179.2-19.100111S5 S66 T92 N127S5-Q68 PolarHBondContact OG-O 3.35Å; S66-Q68 PolarHBondContact O-N 2.62Å; Q68-T92 WeakPolarHBondContact CB-OG1 3.46Å; Q68-T92 PolarHBondContact N-O 2.71Å; Q68-N127 VanDerWaalsContact NE2-CG 3.26Å; Q68-N127 PolarHBondContact NE2-OD1 3.26Å
69C83.3Confident73Confident7 Ų760.7 Ų60.75%0.04733%0.329CS..  trans-147.9151.2179.5-56.70000109.8I91 T92 T128 F130 L131C69-I91 WeakPolarHBondContact O-CA 3.21Å; C69-T92 WeakPolarHBondContact CB-OG1 3.08Å; C69-T92 PolarHBondContact N-OG1 3Å; C69-T92 PolarHBondContact O-N 3.22Å; C69-T92 PolarHBondContact O-OG1 2.61Å; C69-T128 HydrophobicContact CB-CG2 4.35Å; C69-F130 VanDerWaalsContact SG-CA 3.58Å; C69-L131 HydrophobicContact CB-CB 3.62Å
70V86.3Confident71.6Confident10 Ų1064.9 Ų64.96%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-132.8140.7177.3178.50000108.7Q10 V22 P67 I89 A90 I91Q10-V70 PolarHBondContact NE2-O 3.09Å; Q10-V70 PolarHBondContact OE1-O 2.89Å; V22-V70 HydrophobicContact CG2-CB 4.26Å; V22-V70 HydrophobicContact CG2-CG2 3.68Å; P67-V70 HydrophobicContact CB-CG2 4.41Å; V70-I89 HydrophobicContact CG1-CD1 3.34Å; V70-I89 HydrophobicContact CG1-CG1 3.63Å; V70-A90 CarbonylContact C-O 3.5Å; V70-A90 WeakPolarHBondContact CA-O 3.43Å; V70-I91 HydrophobicContact CG1-CG1 4.3Å; V70-I91 HydrophobicContact CG2-CD1 4.4Å; V70-I91 HydrophobicContact CG2-CG1 4.15Å; V70-I91 HydrophobicContact CG2-CG2 4.2Å
71A88.4Confident70.3Confident7 Ų767.3 Ų67.36%0.05836%0.364CS..EExtended strand (participates in β ladder)trans-150.6133.4176.700000112.9A90 L131 W133A71-A90 PolarHBondContact N-O 2.87Å; A71-A90 PolarHBondContact O-N 2.99Å; A71-L131 HydrophobicContact CB-CB 4.39Å; A71-L131 HydrophobicContact CB-CD2 4.14Å; A71-L131 HydrophobicContact CB-CG 4.01Å; A71-L131 WeakPolarHBondContact CB-O 3.36Å; A71-W133 PolarHBondContact O-NE1 3.08Å; A71-W133 VanDerWaalsContact O-NE1 3.11Å
72W87.1Confident69.3Low19 Ų1967.9 Ų67.97%0.07237%0.372CS..EExtended strand (participates in β ladder)trans-82.1141175.2-73.1100.3000112.9P12 V20 I89 L103P12-W72 HydrophobicContact CB-CD2 4.06Å; P12-W72 HydrophobicContact CB-CE3 4.1Å; P12-W72 HydrophobicContact CB-CZ3 4.37Å; V20-W72 HydrophobicContact CB-CZ2 4.19Å; V20-W72 HydrophobicContact CG2-CH2 4.34Å; V20-W72 HydrophobicContact CG2-CZ2 3.53Å; W72-I89 HydrophobicContact CD2-CB 4.48Å; W72-I89 HydrophobicContact CD2-CD1 4.32Å; W72-I89 HydrophobicContact CD2-CG1 4.28Å; W72-I89 HydrophobicContact CE3-CB 4.12Å; W72-I89 HydrophobicContact CE3-CG1 4.43Å; W72-I89 HydrophobicContact CH2-CB 4.4Å; W72-I89 HydrophobicContact CH2-CD1 4.21Å; W72-I89 HydrophobicContact CZ2-CD1 3.87Å; W72-I89 HydrophobicContact CZ3-CB 4.07Å; W72-L103 HydrophobicContact CH2-CD1 4.23Å; W72-L103 HydrophobicContact CH2-CD2 3.68Å; W72-L103 HydrophobicContact CH2-CG 3.94Å; W72-L103 HydrophobicContact CZ3-CD1 4.37Å; W72-L103 HydrophobicContact CZ3-CD2 4.29Å; W72-L103 HydrophobicContact CZ3-CG 4.07Å
73V84Confident68.8Low0 Ų066.2 Ų66.20%036%0.358CS..PPolyproline II helixtrans-62.8134.2167.41670000109.8P13 V84 L88 W133 R138P13-V73 WeakPolarHBondContact CG-O 3.47Å; V73-V84 HydrophobicContact CG1-CG1 3.85Å; V73-V84 HydrophobicContact CG2-CG1 4.1Å; V73-L88 HydrophobicContact CB-CB 4.24Å; V73-L88 WeakPolarHBondContact CB-O 3.49Å; V73-L88 HydrophobicContact CG2-CB 3.74Å; V73-L88 HydrophobicContact CG2-CD2 3.97Å; V73-L88 HydrophobicContact CG2-CG 4.25Å; V73-L88 WeakPolarHBondContact CG2-O 3.5Å; V73-L88 PolarHBondContact N-O 2.96Å; V73-W133 HydrophobicContact CG2-CD2 3.76Å; V73-W133 VanDerWaalsContact CG2-CE2 3.42Å; V73-W133 HydrophobicContact CG2-CE3 3.96Å; V73-W133 HydrophobicContact CG2-CG 4.49Å; V73-W133 HydrophobicContact CG2-CH2 3.54Å; V73-W133 HydrophobicContact CG2-CZ2 3.3Å; V73-W133 HydrophobicContact CG2-CZ3 3.87Å; V73-R138 HydrophobicContact CG1-CB 4.37Å
74P79.9Confident69Low16 Ų1662.4 Ų62.410%0.10434%0.338CS..PPolyproline II helixtrans-59.5159174.8-23.233.4000112.2W133 N134 R138P74-W133 VanDerWaalsContact CD-CB 3.48Å; P74-W133 HydrophobicContact CG-CB 3.87Å; P74-N134 WeakPolarHBondContact CG-O 3.45Å; P74-R138 HydrophobicContact CB-CG 4.31Å; P74-R138 PolarHBondContact O-NE 3.45Å
75S72.8Confident69.4Low36 Ų3655 Ų5525%0.25230%0.299SS..PPolyproline II helixtrans-73.3150.4178.147.30000113.7N14N14-S75 WeakPolarHBondContact ND2-CB 3.43Å; N14-S75 WeakPolarHBondContact OD1-CB 3.38Å; N14-S75 PolarHBondContact OD1-OG 2.79Å
76S66.5Low69.7Low20 Ų2055 Ų5514%0.1430%0.297CS..PPolyproline II helixtrans-88133.1164.7-177.40000110.9K78 D82S76-K78 VanDerWaalsContact OG-C 3.32Å; S76-K78 WeakPolarHBondContact OG-CA 3.37Å; S76-K78 PolarHBondContact OG-N 3.01Å; S76-K78 PolarHBondContact OG-O 3.09Å; S76-D82 WeakPolarHBondContact CB-OD2 3.26Å; S76-D82 PolarHBondContact OG-OD2 3.11Å
77N62.5Low70.1Confident160 Ų16054.6 Ų54.686%0.85629%0.289SS*.SBendtrans-87.1-6.3163-72-5.9000112.5
78K58.5Low70.3Confident141 Ų14154.1 Ų54.161%0.61329%0.287SS*.  trans-115107.6-176.8-67-173.5179.4-1750110.5S76 N80S76-K78 VanDerWaalsContact OG-C 3.32Å; S76-K78 WeakPolarHBondContact OG-CA 3.37Å; S76-K78 PolarHBondContact OG-N 3.01Å; S76-K78 PolarHBondContact OG-O 3.09Å; K78-N80 PolarHBondContact O-N 3.37Å; K78-N80 VanDerWaalsContact O-N 3.09Å
79L52.2Low70.7Confident175 Ų17552.6 Ų52.692%0.91628%0.279SS*.THydrogen-bonded Turntrans-56.8-24.9-176.3-85145.1000115.1
80N51.7Low70.9Confident143 Ų14352.2 Ų52.277%0.76528%0.277SS*.THydrogen-bonded Turntrans-1305-164.3-73-21.7000117K78K78-N80 PolarHBondContact O-N 3.37Å; K78-N80 VanDerWaalsContact O-N 3.09Å
81L53.6Low70.9Confident134 Ų13452.4 Ų52.470%0.70228%0.277SS*.THydrogen-bonded Turntrans-118.8-13.6-176.9-12087.9000115.5
82D54Low70.6Confident71 Ų7152.1 Ų52.138%0.3828%0.275SS..  trans-88.5131.4-170.8-84.95.8000112S76 R138S76-D82 WeakPolarHBondContact CB-OD2 3.26Å; S76-D82 PolarHBondContact OG-OD2 3.11Å; D82-R138 WeakPolarHBondContact OD2-CD 3.16Å; D82-R138 IonicContact OD2-CZ 3.23Å; D82-R138 IonicContact OD2-NE 2.71Å; D82-R138 IonicContact OD2-NH1 3.72Å; D82-R138 PolarHBondContact OD2-NH1 3.25Å
83V63.9Low70.2Confident46 Ų4652 Ų5228%0.27928%0.275SS..  trans-96.61.1-171.5-149.60000113.3R112 F113V83-R112 HydrophobicContact CG1-CB 3.68Å; V83-R112 HydrophobicContact CG1-CG 4.25Å; V83-F113 HydrophobicContact CB-CD2 3.63Å; V83-F113 HydrophobicContact CB-CE2 3.34Å; V83-F113 HydrophobicContact CB-CZ 4.34Å; V83-F113 HydrophobicContact CG1-CD2 3.14Å; V83-F113 HydrophobicContact CG1-CE2 3.04Å; V83-F113 HydrophobicContact CG1-CG 4Å; V83-F113 HydrophobicContact CG1-CZ 3.79Å; V83-F113 HydrophobicContact CG2-CE2 3.88Å
84V66.6Low69.1Low9 Ų956.2 Ų56.26%0.05530%0.297CS..SBendtrans-108.6127.9178.8-174.50000108.6V73 L88 L115 R138 N139 T162V73-V84 HydrophobicContact CG1-CG1 3.85Å; V73-V84 HydrophobicContact CG2-CG1 4.1Å; V84-L88 HydrophobicContact CG1-CD2 4.11Å; V84-L115 HydrophobicContact CB-CD1 4.22Å; V84-L115 HydrophobicContact CG1-CD1 3.87Å; V84-L115 HydrophobicContact CG2-CD1 4Å; V84-R138 HydrophobicContact CB-CB 4.45Å; V84-R138 HydrophobicContact CG2-CB 4.48Å; V84-R138 PolarHBondContact O-NH1 3.34Å; V84-R138 VanDerWaalsContact O-NH1 3.11Å; V84-R138 PolarHBondContact O-NH2 2.77Å; V84-N139 HydrophobicContact CG2-CB 4.43Å; V84-T162 HydrophobicContact CG2-CG2 4.12Å
85P67.5Low68.8Low8 Ų858.4 Ų58.45%0.05231%0.31CS..  trans-55.4143.2178.8-25.433.4000112.6H87 L88 D111 R138P85-H87 PolarHBondContact O-N 2.83Å; P85-L88 HydrophobicContact CB-CB 4.5Å; P85-D111 HydrophobicContact CG-CB 3.82Å; P85-R138 PolarHBondContact O-NH2 2.79Å; P85-R138 VanDerWaalsContact O-NH2 3.08Å
86N67.8Low68.9Low56 Ų5656.7 Ų56.730%0.29930%0.298SS..THydrogen-bonded Turntrans-66.5-20.3-177.4-76.2-33.7000114R138N86-R138 PolarHBondContact OD1-NH2 3.16Å
87H73Confident69.8Low43 Ų4356.3 Ų56.320%0.19930%0.296CS..THydrogen-bonded Turntrans-124.643-171.9-53.892.2000112R15 P85 L103R15-H87 WeakPolarHBondContact CD-NE2 3.29Å; P85-H87 PolarHBondContact O-N 2.83Å; H87-L103 HydrophobicContact CB-CB 3.89Å; H87-L103 HydrophobicContact CB-CD1 3.65Å; H87-L103 HydrophobicContact CB-CG 3.76Å; H87-L103 PolarHBondContact O-N 2.98Å
88L80Confident71Confident1 Ų148.7 Ų48.71%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-92.9132.9175.3-167.178.7000109.9V73 V84 P85 L100 M101 L115 W133V73-L88 HydrophobicContact CB-CB 4.24Å; V73-L88 WeakPolarHBondContact CB-O 3.49Å; V73-L88 HydrophobicContact CG2-CB 3.74Å; V73-L88 HydrophobicContact CG2-CD2 3.97Å; V73-L88 HydrophobicContact CG2-CG 4.25Å; V73-L88 WeakPolarHBondContact CG2-O 3.5Å; V73-L88 PolarHBondContact N-O 2.96Å; V84-L88 HydrophobicContact CG1-CD2 4.11Å; P85-L88 HydrophobicContact CB-CB 4.5Å; L88-L100 HydrophobicContact CD1-CB 4.24Å; L88-L100 HydrophobicContact CD2-CB 4.25Å; L88-L100 HydrophobicContact CD2-CD1 4.14Å; L88-L100 HydrophobicContact CD2-CD2 4.48Å; L88-L100 HydrophobicContact CG-CB 4.39Å; L88-M101 CarbonylContact C-O 3.59Å; L88-M101 WeakPolarHBondContact CA-O 3.35Å; L88-M101 WeakPolarHBondContact CD1-O 3.07Å; L88-L115 HydrophobicContact CD2-CB 4.14Å; L88-L115 HydrophobicContact CD2-CD1 4.32Å; L88-W133 HydrophobicContact CD2-CH2 4.33Å; L88-W133 HydrophobicContact CD2-CZ2 4.43Å
89I84.6Confident72.3Confident2 Ų244.9 Ų44.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-113.6136.8174.6-162.2170000109.2V20 V70 W72 I91 L100 M101V20-I89 HydrophobicContact CB-CD1 4.47Å; V20-I89 HydrophobicContact CG1-CD1 4.39Å; V20-I89 HydrophobicContact CG2-CD1 4.02Å; V70-I89 HydrophobicContact CG1-CD1 3.34Å; V70-I89 HydrophobicContact CG1-CG1 3.63Å; W72-I89 HydrophobicContact CD2-CB 4.48Å; W72-I89 HydrophobicContact CD2-CD1 4.32Å; W72-I89 HydrophobicContact CD2-CG1 4.28Å; W72-I89 HydrophobicContact CE3-CB 4.12Å; W72-I89 HydrophobicContact CE3-CG1 4.43Å; W72-I89 HydrophobicContact CH2-CB 4.4Å; W72-I89 HydrophobicContact CH2-CD1 4.21Å; W72-I89 HydrophobicContact CZ2-CD1 3.87Å; W72-I89 HydrophobicContact CZ3-CB 4.07Å; I89-I91 HydrophobicContact CD1-CD1 4.5Å; I89-I91 HydrophobicContact CG1-CG1 4.3Å; I89-I91 HydrophobicContact CG2-CD1 4.39Å; I89-I91 HydrophobicContact CG2-CG1 4.34Å; I89-L100 CarbonylContact O-C 3.6Å; I89-L100 WeakPolarHBondContact O-CA 3.39Å; I89-M101 HydrophobicContact CG2-CB 3.84Å; I89-M101 HydrophobicContact CG2-CE 4.21Å; I89-M101 WeakPolarHBondContact CG2-O 3.49Å; I89-M101 PolarHBondContact N-O 2.94Å; I89-M101 PolarHBondContact O-N 2.69Å
90A87.6Confident74Confident0 Ų036.5 Ų36.50%020%0.195CC..EExtended strand (participates in β ladder)trans-104.2129.9172.200000109V70 A71 V98 K99 L100 L131 W133V70-A90 CarbonylContact C-O 3.5Å; V70-A90 WeakPolarHBondContact CA-O 3.43Å; A71-A90 PolarHBondContact N-O 2.87Å; A71-A90 PolarHBondContact O-N 2.99Å; A90-V98 HydrophobicContact CB-CG1 3.91Å; A90-K99 WeakPolarHBondContact CA-O 3.27Å; A90-L100 HydrophobicContact CB-CD2 3.55Å; A90-L131 HydrophobicContact CB-CD2 3.61Å; A90-L131 HydrophobicContact CB-CG 4.48Å; A90-L131 WeakPolarHBondContact O-CD2 3.38Å; A90-W133 HydrophobicContact CB-CZ2 3.87Å
91I85.8Confident75.3Confident14 Ų1431 Ų317%0.07216%0.164CC..EExtended strand (participates in β ladder)trans-129.4128-178.6-55-167.5000109.4V27 P67 C69 V70 I89 V98 K99 M101V27-I91 HydrophobicContact CG1-CD1 4.37Å; V27-I91 HydrophobicContact CG2-CD1 4.38Å; P67-I91 HydrophobicContact CB-CG2 3.72Å; C69-I91 WeakPolarHBondContact O-CA 3.21Å; V70-I91 HydrophobicContact CG1-CG1 4.3Å; V70-I91 HydrophobicContact CG2-CD1 4.4Å; V70-I91 HydrophobicContact CG2-CG1 4.15Å; V70-I91 HydrophobicContact CG2-CG2 4.2Å; I89-I91 HydrophobicContact CD1-CD1 4.5Å; I89-I91 HydrophobicContact CG1-CG1 4.3Å; I89-I91 HydrophobicContact CG2-CD1 4.39Å; I89-I91 HydrophobicContact CG2-CG1 4.34Å; I91-V98 CarbonylContact O-C 3.58Å; I91-K99 PolarHBondContact N-O 3.38Å; I91-K99 PolarHBondContact O-N 3.29Å; I91-M101 HydrophobicContact CD1-CE 3.34Å; I91-M101 HydrophobicContact CG1-CE 4.18Å
92T84Confident76.3Confident0 Ų025.2 Ų25.20%014%0.138CC..EExtended strand (participates in β ladder)trans-90.5134.5173.857.10000111.5P67 Q68 C69 C97 V98 T128 L131P67-T92 WeakPolarHBondContact CA-O 3.34Å; Q68-T92 WeakPolarHBondContact CB-OG1 3.46Å; Q68-T92 PolarHBondContact N-O 2.71Å; C69-T92 WeakPolarHBondContact CB-OG1 3.08Å; C69-T92 PolarHBondContact N-OG1 3Å; C69-T92 PolarHBondContact O-N 3.22Å; C69-T92 PolarHBondContact O-OG1 2.61Å; T92-C97 CarbonylContact C-O 3.59Å; T92-C97 VanDerWaalsContact CA-O 3.28Å; T92-C97 WeakPolarHBondContact CA-O 3.43Å; T92-V98 HydrophobicContact CG2-CB 4.33Å; T92-V98 HydrophobicContact CG2-CG1 4.34Å; T92-V98 HydrophobicContact CG2-CG2 3.75Å; T92-T128 HydrophobicContact CG2-CG2 3.77Å; T92-L131 HydrophobicContact CG2-CB 4.44Å; T92-L131 HydrophobicContact CG2-CD1 4.3Å; T92-L131 HydrophobicContact CG2-CD2 3.88Å; T92-L131 HydrophobicContact CG2-CG 4.45Å
93H76.9Confident77.1Confident17 Ų1722.4 Ų22.48%0.07912%0.123CC..EExtended strand (participates in β ladder)trans-144.5170179.364.5-64.8000109.9V95 G96 C97H93-V95 PolarHBondContact O-N 3.01Å; H93-G96 PolarHBondContact O-N 2.87Å; H93-C97 PolarHBondContact N-O 3.36Å; H93-C97 PolarHBondContact ND1-O 3.16Å; H93-C97 PolarHBondContact O-N 3.07Å
94N62.7Low77Confident88 Ų8823 Ų2347%0.47113%0.128SC..THydrogen-bonded Turntrans40.468.8168.9-67-10.4000115V65 G96V65-N94 WeakPolarHBondContact CB-OD1 3.42Å; V65-N94 WeakPolarHBondContact CG2-OD1 3.46Å; N94-G96 PolarHBondContact O-N 3.23Å
95V72.1Confident76.7Confident62 Ų6230.7 Ų30.738%0.37617%0.168SC..THydrogen-bonded Turntrans61.839.8170.6-139.10000114.7H93 S125 R126H93-V95 PolarHBondContact O-N 3.01Å; V95-S125 WeakPolarHBondContact CB-OG 3.23Å; V95-S125 WeakPolarHBondContact CG1-OG 3.37Å; V95-R126 CarbonylContact C-O 3.52Å; V95-R126 PolarHBondContact O-N 3.49Å; V95-R126 VanDerWaalsContact O-O 3.08Å
96G76Confident76.2Confident0 Ų032 Ų320%018%0.178CC..THydrogen-bonded Turntrans102.75.4167.700000115.6H93 N94 P122 R126 Q143H93-G96 PolarHBondContact O-N 2.87Å; N94-G96 PolarHBondContact O-N 3.23Å; G96-P122 WeakPolarHBondContact O-CD 3.19Å; G96-P122 WeakPolarHBondContact O-CG 3.49Å; G96-R126 WeakPolarHBondContact CA-O 3.38Å; G96-R126 PolarHBondContact N-O 2.89Å; G96-Q143 PolarHBondContact O-NE2 2.59Å
97C85.7Confident75.8Confident13 Ų1334.3 Ų34.39%0.08819%0.19CC..EExtended strand (participates in β ladder)trans-73.7129.2172.9-174.90000110.6T92 H93T92-C97 CarbonylContact C-O 3.59Å; T92-C97 VanDerWaalsContact CA-O 3.28Å; T92-C97 WeakPolarHBondContact CA-O 3.43Å; H93-C97 PolarHBondContact N-O 3.36Å; H93-C97 PolarHBondContact ND1-O 3.16Å; H93-C97 PolarHBondContact O-N 3.07Å
98V87.7Confident75.1Confident0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-96.4123.1174-168.30000109.2A90 I91 T92 L100 E119 L120 L131 Q143A90-V98 HydrophobicContact CB-CG1 3.91Å; I91-V98 CarbonylContact O-C 3.58Å; T92-V98 HydrophobicContact CG2-CB 4.33Å; T92-V98 HydrophobicContact CG2-CG1 4.34Å; T92-V98 HydrophobicContact CG2-CG2 3.75Å; V98-L100 HydrophobicContact CG1-CD2 4.43Å; V98-E119 CarbonylContact O-C 3.54Å; V98-E119 VanDerWaalsContact O-CA 3.29Å; V98-E119 WeakPolarHBondContact O-CA 3.43Å; V98-L120 HydrophobicContact CB-CB 3.94Å; V98-L120 HydrophobicContact CB-CD1 4.07Å; V98-L120 HydrophobicContact CB-CG 4.16Å; V98-L120 HydrophobicContact CG1-CD1 4.24Å; V98-L120 HydrophobicContact CG2-CB 4.27Å; V98-L120 HydrophobicContact CG2-CD1 4.46Å; V98-L120 PolarHBondContact N-O 3.48Å; V98-L120 PolarHBondContact O-N 2.75Å; V98-L131 HydrophobicContact CG1-CD1 4.21Å; V98-L131 HydrophobicContact CG1-CD2 4.06Å; V98-L131 HydrophobicContact CG2-CD1 4.26Å; V98-Q143 HydrophobicContact CG2-CG 4.4Å
99K85.8Confident74.1Confident60 Ų6044.4 Ų44.426%0.26124%0.243SC..EExtended strand (participates in β ladder)trans-104.1130.7171.7-169.5166.7-174.3162.10110.5A90 I91 M101 E119A90-K99 WeakPolarHBondContact CA-O 3.27Å; I91-K99 PolarHBondContact N-O 3.38Å; I91-K99 PolarHBondContact O-N 3.29Å; K99-M101 HydrophobicContact CD-CG 4.48Å; K99-M101 HydrophobicContact CD-SD 4.43Å; K99-M101 HydrophobicContact CG-CG 4.08Å; K99-E119 HydrophobicContact CB-CG 4.42Å; K99-E119 HydrophobicContact CG-CG 4.23Å; K99-E119 IonicContact NZ-OE1 2.77Å
100L86.7Confident73.2Confident0 Ų048.1 Ų48.10%026%0.261CS..EExtended strand (participates in β ladder)trans-93.1128.5173.6-58.1-174.7000109.6L88 I89 A90 V98 L115 N117 K118 W133 V161L88-L100 HydrophobicContact CD1-CB 4.24Å; L88-L100 HydrophobicContact CD2-CB 4.25Å; L88-L100 HydrophobicContact CD2-CD1 4.14Å; L88-L100 HydrophobicContact CD2-CD2 4.48Å; L88-L100 HydrophobicContact CG-CB 4.39Å; I89-L100 CarbonylContact O-C 3.6Å; I89-L100 WeakPolarHBondContact O-CA 3.39Å; A90-L100 HydrophobicContact CB-CD2 3.55Å; V98-L100 HydrophobicContact CG1-CD2 4.43Å; L100-L115 VanDerWaalsContact CB-O 3.25Å; L100-L115 WeakPolarHBondContact CB-O 3.42Å; L100-L115 HydrophobicContact CD1-CB 4.41Å; L100-N117 WeakPolarHBondContact O-CA 3.11Å; L100-N117 PolarHBondContact O-N 2.82Å; L100-K118 HydrophobicContact CD1-CB 4.22Å; L100-K118 PolarHBondContact N-O 3.16Å; L100-W133 HydrophobicContact CD2-CH2 4.25Å; L100-W133 HydrophobicContact CD2-CZ2 3.84Å; L100-V161 HydrophobicContact CD1-CB 3.97Å; L100-V161 HydrophobicContact CD1-CG1 4.01Å
101M80.2Confident72.2Confident26 Ų2649.2 Ų49.213%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-132.1138.8-179.2-52.8-166.4-48.600110.1W61 L88 I89 I91 K99W61-M101 HydrophobicContact CD2-CE 4.15Å; W61-M101 HydrophobicContact CG-CE 4.17Å; L88-M101 CarbonylContact C-O 3.59Å; L88-M101 WeakPolarHBondContact CA-O 3.35Å; L88-M101 WeakPolarHBondContact CD1-O 3.07Å; I89-M101 HydrophobicContact CG2-CB 3.84Å; I89-M101 HydrophobicContact CG2-CE 4.21Å; I89-M101 WeakPolarHBondContact CG2-O 3.49Å; I89-M101 PolarHBondContact N-O 2.94Å; I89-M101 PolarHBondContact O-N 2.69Å; I91-M101 HydrophobicContact CD1-CE 3.34Å; I91-M101 HydrophobicContact CG1-CE 4.18Å; K99-M101 HydrophobicContact CD-CG 4.48Å; K99-M101 HydrophobicContact CD-SD 4.43Å; K99-M101 HydrophobicContact CG-CG 4.08Å
102G73.4Confident71.2Confident14 Ų1457.6 Ų57.614%0.14430%0.297CS..EExtended strand (participates in β ladder)trans-89156.2171.900000111.6
103L70.7Confident70.4Confident11 Ų1161 Ų616%0.05831%0.312CS..PPolyproline II helixtrans-60.2150.4166.4-79.1-174.3000111.5L29 W72 H87 N105 C106L29-L103 HydrophobicContact CD1-CD2 3.56Å; L29-L103 HydrophobicContact CD2-CD2 3.44Å; L29-L103 VanDerWaalsContact CD2-CD2 3.44Å; L29-L103 HydrophobicContact CG-CD2 4.15Å; W72-L103 HydrophobicContact CH2-CD1 4.23Å; W72-L103 HydrophobicContact CH2-CD2 3.68Å; W72-L103 HydrophobicContact CH2-CG 3.94Å; W72-L103 HydrophobicContact CZ3-CD1 4.37Å; W72-L103 HydrophobicContact CZ3-CD2 4.29Å; W72-L103 HydrophobicContact CZ3-CG 4.07Å; H87-L103 HydrophobicContact CB-CB 3.89Å; H87-L103 HydrophobicContact CB-CD1 3.65Å; H87-L103 HydrophobicContact CB-CG 3.76Å; H87-L103 PolarHBondContact O-N 2.98Å; L103-N105 PolarHBondContact O-N 3.28Å; L103-C106 PolarHBondContact O-N 3.08Å
104P62.8Low70.1Confident59 Ų5961.7 Ų61.738%0.38332%0.324SS..THydrogen-bonded Turntrans-52.8134.8167-20.431.6000109.8L29 N59L29-P104 HydrophobicContact CD2-CG 4.28Å; N59-P104 HydrophobicContact CB-CG 4.34Å
105N59.5Low70.8Confident170 Ų17057.5 Ų57.591%0.90930%0.302SS*.THydrogen-bonded Turntrans76.915.8180-45.3-27.9000117L103 N107L103-N105 PolarHBondContact O-N 3.28Å; N105-N107 PolarHBondContact O-N 3.25Å
106C57.7Low71.1Confident37 Ų3758.4 Ų58.425%0.2530%0.302CS..  trans-62.9134167.2-85.40000111.5L103 V108L103-C106 PolarHBondContact O-N 3.08Å; C106-V108 PolarHBondContact O-N 3.35Å
107N58.6Low71.1Confident103 Ų10360.6 Ų60.655%0.55131%0.314SS*.  trans-65.7121.6179.1-1372.7000109.1N105 E109 E110N105-N107 PolarHBondContact O-N 3.25Å; N107-E109 PolarHBondContact O-N 2.83Å; N107-E110 HydrophobicContact CB-CG 4.23Å; N107-E110 PolarHBondContact O-N 2.78Å
108V58.6Low71Confident94 Ų9460 Ų6057%0.5731%0.309SS*.G310 helixtrans-58.4-23.9-177.7-179.80000111.5C106 E110 D111C106-V108 PolarHBondContact O-N 3.35Å; V108-E110 VanDerWaalsContact C-N 3.33Å; V108-E110 PolarHBondContact O-N 3.49Å; V108-D111 PolarHBondContact O-N 2.86Å
109E59.7Low70.9Confident163 Ų16362 Ų6276%0.76232%0.319SS*.G310 helixtrans-69.5-23.1176.7-59.6-165.8159.300114.4N107N107-E109 PolarHBondContact O-N 2.83Å
110E64.9Low71Confident80 Ų8059.1 Ų59.137%0.37431%0.306SS..G310 helixtrans-73.6-27.8177.7-70.1-175.2-176.100112.2N107 V108 R112N107-E110 HydrophobicContact CB-CG 4.23Å; N107-E110 PolarHBondContact O-N 2.78Å; V108-E110 VanDerWaalsContact C-N 3.33Å; V108-E110 PolarHBondContact O-N 3.49Å; E110-R112 PolarHBondContact O-N 2.86Å; E110-R112 VanDerWaalsContact O-N 3.11Å
111D66.4Low70.9Confident22 Ų2261.3 Ų61.312%0.11832%0.32CS..  trans-89.265.1-176.1-169.716000112.6P85 V108 F113 G114 L115 Q116P85-D111 HydrophobicContact CG-CB 3.82Å; V108-D111 PolarHBondContact O-N 2.86Å; D111-F113 PolarHBondContact O-N 2.95Å; D111-F113 VanDerWaalsContact O-N 3.07Å; D111-G114 PolarHBondContact O-N 3.09Å; D111-G114 PolarHBondContact OD1-N 3.38Å; D111-G114 VanDerWaalsContact OD1-N 3.1Å; D111-G114 VanDerWaalsContact OD2-C 3.31Å; D111-G114 VanDerWaalsContact OD2-CA 3.29Å; D111-G114 WeakPolarHBondContact OD2-CA 3.49Å; D111-L115 WeakPolarHBondContact OD1-CB 3.39Å; D111-L115 PolarHBondContact OD1-N 2.81Å; D111-L115 PolarHBondContact OD2-N 2.85Å; D111-Q116 WeakPolarHBondContact OD2-CB 3.38Å; D111-Q116 PolarHBondContact OD2-N 3.38Å
112R65.2Low71.1Confident191 Ų19160.5 Ų60.572%0.72132%0.317SS*.THydrogen-bonded Turntrans-60.6-20.9-178.2-58.2-168-172-1773114V83 E110V83-R112 HydrophobicContact CG1-CB 3.68Å; V83-R112 HydrophobicContact CG1-CG 4.25Å; E110-R112 PolarHBondContact O-N 2.86Å; E110-R112 VanDerWaalsContact O-N 3.11Å
113F67Low71.5Confident70 Ų7069.3 Ų69.331%0.30735%0.345SS..THydrogen-bonded Turntrans-104.21.1-177.5-76.1-51.3000114.1V83 D111 L115 T162 T165V83-F113 HydrophobicContact CB-CD2 3.63Å; V83-F113 HydrophobicContact CB-CE2 3.34Å; V83-F113 HydrophobicContact CB-CZ 4.34Å; V83-F113 HydrophobicContact CG1-CD2 3.14Å; V83-F113 HydrophobicContact CG1-CE2 3.04Å; V83-F113 HydrophobicContact CG1-CG 4Å; V83-F113 HydrophobicContact CG1-CZ 3.79Å; V83-F113 HydrophobicContact CG2-CE2 3.88Å; D111-F113 PolarHBondContact O-N 2.95Å; D111-F113 VanDerWaalsContact O-N 3.07Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 HydrophobicContact CB-CD2 3.98Å; F113-L115 HydrophobicContact CB-CG 3.93Å; F113-L115 PolarHBondContact O-N 3.44Å; F113-T162 HydrophobicContact CD2-CG2 3.38Å; F113-T162 HydrophobicContact CE2-CG2 3.52Å; F113-T162 HydrophobicContact CG-CG2 4.28Å; F113-T165 HydrophobicContact CB-CG2 4.11Å; F113-T165 WeakPolarHBondContact CD1-OG1 3.44Å; F113-T165 VanDerWaalsContact O-CB 3.26Å; F113-T165 WeakPolarHBondContact O-CB 3.48Å; F113-T165 WeakPolarHBondContact O-CG2 3.23Å
114G71.2Confident72.1Confident33 Ų3370.1 Ų70.134%0.3435%0.349SS..  trans60.142.5-177.700000112.4D111 Q116D111-G114 PolarHBondContact O-N 3.09Å; D111-G114 PolarHBondContact OD1-N 3.38Å; D111-G114 VanDerWaalsContact OD1-N 3.1Å; D111-G114 VanDerWaalsContact OD2-C 3.31Å; D111-G114 VanDerWaalsContact OD2-CA 3.29Å; D111-G114 WeakPolarHBondContact OD2-CA 3.49Å; G114-Q116 VanDerWaalsContact C-N 3.28Å
115L77.6Confident72.8Confident0 Ų071.6 Ų71.60%036%0.36CS..  trans-72.3-22.9178-58.9-179.8000112.1V84 L88 L100 D111 F113 N117 K118 V161 T165V84-L115 HydrophobicContact CB-CD1 4.22Å; V84-L115 HydrophobicContact CG1-CD1 3.87Å; V84-L115 HydrophobicContact CG2-CD1 4Å; L88-L115 HydrophobicContact CD2-CB 4.14Å; L88-L115 HydrophobicContact CD2-CD1 4.32Å; L100-L115 VanDerWaalsContact CB-O 3.25Å; L100-L115 WeakPolarHBondContact CB-O 3.42Å; L100-L115 HydrophobicContact CD1-CB 4.41Å; D111-L115 WeakPolarHBondContact OD1-CB 3.39Å; D111-L115 PolarHBondContact OD1-N 2.81Å; D111-L115 PolarHBondContact OD2-N 2.85Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 HydrophobicContact CB-CD2 3.98Å; F113-L115 HydrophobicContact CB-CG 3.93Å; F113-L115 PolarHBondContact O-N 3.44Å; L115-N117 PolarHBondContact O-N 3.39Å; L115-K118 HydrophobicContact CD2-CD 4.02Å; L115-K118 VanDerWaalsContact O-CB 3.27Å; L115-K118 WeakPolarHBondContact O-CB 3.32Å; L115-K118 PolarHBondContact O-N 2.97Å; L115-V161 HydrophobicContact CD1-CG2 4.08Å; L115-V161 HydrophobicContact CD2-CB 4.27Å; L115-V161 HydrophobicContact CD2-CG2 4.15Å; L115-V161 WeakPolarHBondContact CD2-O 3.39Å; L115-T165 HydrophobicContact CD2-CG2 4.29Å
116Q77.4Confident73.9Confident81 Ų8164.1 Ų64.138%0.37932%0.319SS..THydrogen-bonded Turntrans-62.1125.7175.3-169.6174.120.700110.5D111 G114 K118D111-Q116 WeakPolarHBondContact OD2-CB 3.38Å; D111-Q116 PolarHBondContact OD2-N 3.38Å; G114-Q116 VanDerWaalsContact C-N 3.28Å; Q116-K118 PolarHBondContact O-N 3.35Å
117N76.9Confident75.1Confident46 Ų4666.1 Ų66.125%0.24633%0.327CS..THydrogen-bonded Turntrans62.815.9-173.9-58.9-42.5000115.1L100 L115 W224 T228L100-N117 WeakPolarHBondContact O-CA 3.11Å; L100-N117 PolarHBondContact O-N 2.82Å; L115-N117 PolarHBondContact O-N 3.39Å; N117-W224 WeakPolarHBondContact ND2-CZ3 3.26Å; N117-T228 WeakPolarHBondContact O-CG2 3.31Å
118K82.2Confident76.4Confident0 Ų061.7 Ų61.70%030%0.304CS..  trans-68.6135.7170.4-175.9170.6-176.2176.70109.9L100 L115 Q116 L120 V161 K163 T165 T229L100-K118 HydrophobicContact CD1-CB 4.22Å; L100-K118 PolarHBondContact N-O 3.16Å; L115-K118 HydrophobicContact CD2-CD 4.02Å; L115-K118 VanDerWaalsContact O-CB 3.27Å; L115-K118 WeakPolarHBondContact O-CB 3.32Å; L115-K118 PolarHBondContact O-N 2.97Å; Q116-K118 PolarHBondContact O-N 3.35Å; K118-L120 HydrophobicContact CG-CD2 4.42Å; K118-V161 PolarHBondContact NZ-O 2.93Å; K118-K163 PolarHBondContact NZ-O 2.79Å; K118-T165 HydrophobicContact CD-CG2 4.19Å; K118-T229 WeakPolarHBondContact CA-O 3.12Å; K118-T229 WeakPolarHBondContact CG-O 3.34Å; K118-T229 WeakPolarHBondContact CG-OG1 3.36Å
119E85.8Confident77.6Confident41 Ų4159.6 Ų59.619%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-110.6127.5179-73.5-179.4-175.300110.7V98 K99 T228 T229 T230 C231V98-E119 CarbonylContact O-C 3.54Å; V98-E119 VanDerWaalsContact O-CA 3.29Å; V98-E119 WeakPolarHBondContact O-CA 3.43Å; K99-E119 HydrophobicContact CB-CG 4.42Å; K99-E119 HydrophobicContact CG-CG 4.23Å; K99-E119 IonicContact NZ-OE1 2.77Å; E119-T228 HydrophobicContact CB-CG2 4.25Å; E119-T228 HydrophobicContact CG-CG2 3.81Å; E119-T229 PolarHBondContact N-O 3.07Å; E119-T230 HydrophobicContact CB-CG2 4.45Å; E119-T230 CarbonylContact O-C 3.54Å; E119-T230 VanDerWaalsContact O-CA 3.3Å; E119-T230 WeakPolarHBondContact O-CA 3.28Å; E119-C231 PolarHBondContact O-N 3.31Å
120L87.5Confident79Confident0 Ų052.7 Ų52.70%026%0.259CS..EExtended strand (participates in β ladder)trans-101.2107.5174.1-40.8173.9000107V98 K118 W159 V161 C231V98-L120 HydrophobicContact CB-CB 3.94Å; V98-L120 HydrophobicContact CB-CD1 4.07Å; V98-L120 HydrophobicContact CB-CG 4.16Å; V98-L120 HydrophobicContact CG1-CD1 4.24Å; V98-L120 HydrophobicContact CG2-CB 4.27Å; V98-L120 HydrophobicContact CG2-CD1 4.46Å; V98-L120 PolarHBondContact N-O 3.48Å; V98-L120 PolarHBondContact O-N 2.75Å; K118-L120 HydrophobicContact CG-CD2 4.42Å; L120-W159 HydrophobicContact CB-CD2 3.99Å; L120-W159 HydrophobicContact CB-CE3 4.08Å; L120-W159 HydrophobicContact CB-CG 4.5Å; L120-W159 HydrophobicContact CB-CH2 4.36Å; L120-W159 HydrophobicContact CB-CZ2 4.28Å; L120-W159 HydrophobicContact CB-CZ3 4.26Å; L120-W159 HydrophobicContact CD1-CB 3.86Å; L120-W159 HydrophobicContact CD1-CD2 4.11Å; L120-W159 HydrophobicContact CD1-CG 3.75Å; L120-V161 HydrophobicContact CD1-CG1 3.99Å; L120-C231 WeakPolarHBondContact CA-O 3.46Å; L120-C231 HydrophobicContact CD2-CB 3.68Å
121T85.6Confident80.3Confident47 Ų4749.4 Ų49.429%0.28824%0.244SC..  trans-110.6110.8-172.6-550000109.3C231T121-C231 PolarHBondContact N-O 3.22Å
122P85Confident81.5Confident9 Ų950.5 Ų50.56%0.05825%0.251CS..  trans-63.9151.217227.4-33.5000110.5G96 F124 F145 L157 W159G96-P122 WeakPolarHBondContact O-CD 3.19Å; G96-P122 WeakPolarHBondContact O-CG 3.49Å; P122-F124 HydrophobicContact CB-CD1 4.48Å; P122-F124 HydrophobicContact CB-CD2 4.37Å; P122-F124 HydrophobicContact CB-CE1 4.24Å; P122-F124 HydrophobicContact CB-CE2 4.15Å; P122-F124 HydrophobicContact CB-CZ 4.09Å; P122-F124 WeakPolarHBondContact CG-O 3.31Å; P122-F124 PolarHBondContact O-N 2.81Å; P122-F145 HydrophobicContact CB-CZ 3.98Å; P122-F145 HydrophobicContact CG-CE1 4.12Å; P122-F145 HydrophobicContact CG-CZ 3.89Å; P122-L157 HydrophobicContact CB-CD1 3.86Å; P122-W159 HydrophobicContact CB-CZ2 4.45Å
123R82.2Confident82.7Confident198 Ų19841.8 Ų41.875%0.74722%0.219SC*.SBendtrans-73.57.7178.8-64.9-178.7177.3-172-7.7114.3
124F81.7Confident83.8Confident29 Ų2938.5 Ų38.513%0.12720%0.204CC..SBendtrans-141.7155.5-178.853.3-97.6000108.7P122 R126 F145 E153 P154 L157P122-F124 HydrophobicContact CB-CD1 4.48Å; P122-F124 HydrophobicContact CB-CD2 4.37Å; P122-F124 HydrophobicContact CB-CE1 4.24Å; P122-F124 HydrophobicContact CB-CE2 4.15Å; P122-F124 HydrophobicContact CB-CZ 4.09Å; P122-F124 WeakPolarHBondContact CG-O 3.31Å; P122-F124 PolarHBondContact O-N 2.81Å; F124-R126 HydrophobicContact CD2-CB 4.03Å; F124-R126 HydrophobicContact CD2-CG 3.83Å; F124-R126 HydrophobicContact CE2-CB 4.25Å; F124-R126 HydrophobicContact CE2-CG 4.35Å; F124-F145 AromaticContact CE2-CD1 3.77Å; F124-F145 HydrophobicContact CE2-CD1 3.77Å; F124-F145 AromaticContact CE2-CD2 3.92Å; F124-F145 HydrophobicContact CE2-CD2 3.92Å; F124-F145 AromaticContact CE2-CE1 3.75Å; F124-F145 HydrophobicContact CE2-CE1 3.75Å; F124-F145 AromaticContact CE2-CE2 3.94Å; F124-F145 HydrophobicContact CE2-CE2 3.94Å; F124-F145 AromaticContact CE2-CG 3.83Å; F124-F145 HydrophobicContact CE2-CG 3.83Å; F124-F145 AromaticContact CE2-CZ 3.82Å; F124-F145 HydrophobicContact CE2-CZ 3.82Å; F124-F145 AromaticContact CZ-CD2 3.96Å; F124-F145 HydrophobicContact CZ-CD2 3.96Å; F124-F145 HydrophobicContact CZ-CE1 4.44Å; F124-F145 AromaticContact CZ-CE2 3.84Å; F124-F145 HydrophobicContact CZ-CE2 3.84Å; F124-F145 HydrophobicContact CZ-CG 4.33Å; F124-F145 HydrophobicContact CZ-CZ 4.05Å; F124-E153 HydrophobicContact CB-CG 4.3Å; F124-E153 HydrophobicContact CD1-CG 4.35Å; F124-E153 HydrophobicContact CG-CG 4.33Å; F124-P154 HydrophobicContact CE1-CG 3.7Å; F124-P154 HydrophobicContact CZ-CG 4.11Å; F124-L157 HydrophobicContact CE1-CD1 4.24Å; F124-L157 HydrophobicContact CZ-CD1 3.94Å; F124-L157 HydrophobicContact CZ-CG 4.38Å
125S79Confident84.5Confident90 Ų9040.1 Ų40.163%0.62921%0.209SC*.  trans-106.792-172.8-157.20000108.5V95V95-S125 WeakPolarHBondContact CB-OG 3.23Å; V95-S125 WeakPolarHBondContact CG1-OG 3.37Å
126R82.5Confident84.9Confident12 Ų1245.6 Ų45.65%0.04523%0.229CC..  trans-135.5157.9179.3-68-128.6-49.6-81.1179.2112.2V95 G96 F124 F145 D146 E153 P154V95-R126 CarbonylContact C-O 3.52Å; V95-R126 PolarHBondContact O-N 3.49Å; V95-R126 VanDerWaalsContact O-O 3.08Å; G96-R126 WeakPolarHBondContact CA-O 3.38Å; G96-R126 PolarHBondContact N-O 2.89Å; F124-R126 HydrophobicContact CD2-CB 4.03Å; F124-R126 HydrophobicContact CD2-CG 3.83Å; F124-R126 HydrophobicContact CE2-CB 4.25Å; F124-R126 HydrophobicContact CE2-CG 4.35Å; R126-F145 HydrophobicContact CB-CB 4.49Å; R126-F145 HydrophobicContact CB-CD1 3.83Å; R126-D146 VanDerWaalsContact CD-OD1 3.27Å; R126-D146 WeakPolarHBondContact CD-OD1 3.4Å; R126-D146 IonicContact CZ-OD1 3.63Å; R126-D146 PolarHBondContact NE-O 2.88Å; R126-D146 VanDerWaalsContact NE-O 3.09Å; R126-D146 IonicContact NE-OD1 3.83Å; R126-D146 PolarHBondContact NE-OD1 3.42Å; R126-D146 PolarHBondContact NH1-O 3.05Å; R126-E153 IonicContact CZ-OE2 2.77Å; R126-E153 IonicContact NH2-OE2 3.25Å; R126-E153 PolarHBondContact NH2-OE2 3.4Å; R126-P154 PolarHBondContact NH1-O 3.03Å
127N81Confident85.3Confident79 Ų7945.4 Ų45.442%0.42223%0.228SC..  trans-75.3135177.2-71.5-16.7000110.6Q68 D146Q68-N127 VanDerWaalsContact NE2-CG 3.26Å; Q68-N127 PolarHBondContact NE2-OD1 3.26Å; N127-D146 PolarHBondContact O-N 3.2Å
128T86.1Confident85.7Confident10 Ų1044 Ų446%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-76.3128.2174.1-56.40000109.4C69 T92 F130 Q143 G144C69-T128 HydrophobicContact CB-CG2 4.35Å; T92-T128 HydrophobicContact CG2-CG2 3.77Å; T128-F130 WeakPolarHBondContact CG2-O 3.39Å; T128-Q143 HydrophobicContact CG2-CG 3.64Å; T128-Q143 PolarHBondContact OG1-NE2 2.83Å; T128-G144 CarbonylContact C-O 3.57Å; T128-G144 VanDerWaalsContact CA-O 3.23Å; T128-G144 WeakPolarHBondContact CA-O 3.5Å; T128-G144 WeakPolarHBondContact CG2-O 3.5Å
129T85.2Confident85.9Confident51 Ų5146.1 Ų46.131%0.31323%0.23SC..EExtended strand (participates in β ladder)trans-90.4-33.3176.851.10000112.4G144 F145 D146 T243T129-G144 PolarHBondContact N-O 3.43Å; T129-G144 PolarHBondContact OG1-O 2.9Å; T129-F145 PolarHBondContact OG1-N 3.26Å; T129-D146 HydrophobicContact CG2-CB 4.02Å; T129-T243 PolarHBondContact OG1-O 3.32Å; T129-T243 VanDerWaalsContact OG1-O 3.05Å
130F88.9Confident86.1Confident17 Ų1744.4 Ų44.48%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-153.1156.7175.656.8-96.9000111.3C69 T128 V132 T142 G144 V156 T243 F246C69-F130 VanDerWaalsContact SG-CA 3.58Å; T128-F130 WeakPolarHBondContact CG2-O 3.39Å; F130-V132 HydrophobicContact CD2-CG2 4.37Å; F130-T142 HydrophobicContact CE2-CG2 4.11Å; F130-G144 VanDerWaalsContact CE2-CA 3.44Å; F130-G144 VanDerWaalsContact CE2-N 3.33Å; F130-G144 PolarHBondContact O-N 3.14Å; F130-V156 HydrophobicContact CZ-CG2 4.14Å; F130-T243 HydrophobicContact CE1-CG2 3.62Å; F130-T243 HydrophobicContact CZ-CG2 3.77Å; F130-F246 HydrophobicContact CD1-CB 4.28Å; F130-F246 HydrophobicContact CD2-CB 3.6Å; F130-F246 HydrophobicContact CD2-CG 4.24Å; F130-F246 HydrophobicContact CE1-CB 3.92Å; F130-F246 HydrophobicContact CE2-CB 3.17Å; F130-F246 HydrophobicContact CE2-CD1 4.3Å; F130-F246 HydrophobicContact CE2-CD2 4.03Å; F130-F246 AromaticContact CE2-CG 3.61Å; F130-F246 HydrophobicContact CE2-CG 3.61Å; F130-F246 HydrophobicContact CG-CB 4.13Å; F130-F246 HydrophobicContact CZ-CB 3.35Å; F130-F246 HydrophobicContact CZ-CD2 4.22Å; F130-F246 HydrophobicContact CZ-CG 4.05Å
131L91.1Very high86.3Confident11 Ų1144.4 Ų44.46%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-137.4121.3172.4-175.769.3000108.2C69 A71 A90 T92 V98 T142 Q143C69-L131 HydrophobicContact CB-CB 3.62Å; A71-L131 HydrophobicContact CB-CB 4.39Å; A71-L131 HydrophobicContact CB-CD2 4.14Å; A71-L131 HydrophobicContact CB-CG 4.01Å; A71-L131 WeakPolarHBondContact CB-O 3.36Å; A90-L131 HydrophobicContact CB-CD2 3.61Å; A90-L131 HydrophobicContact CB-CG 4.48Å; A90-L131 WeakPolarHBondContact O-CD2 3.38Å; T92-L131 HydrophobicContact CG2-CB 4.44Å; T92-L131 HydrophobicContact CG2-CD1 4.3Å; T92-L131 HydrophobicContact CG2-CD2 3.88Å; T92-L131 HydrophobicContact CG2-CG 4.45Å; V98-L131 HydrophobicContact CG1-CD1 4.21Å; V98-L131 HydrophobicContact CG1-CD2 4.06Å; V98-L131 HydrophobicContact CG2-CD1 4.26Å; L131-T142 CarbonylContact C-O 3.57Å; L131-T142 WeakPolarHBondContact CA-O 3.44Å; L131-Q143 HydrophobicContact CD1-CB 4.19Å; L131-Q143 HydrophobicContact CD1-CG 4.47Å
132V91.3Very high86.6Confident45 Ų4542.2 Ų42.227%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-142.5123.8-174.3-1710000110.8F130 T142 F246 W248F130-V132 HydrophobicContact CD2-CG2 4.37Å; V132-T142 PolarHBondContact N-O 3.17Å; V132-T142 PolarHBondContact O-N 3.34Å; V132-F246 HydrophobicContact CB-CD1 4.19Å; V132-F246 HydrophobicContact CG2-CD1 4.31Å; V132-W248 PolarHBondContact O-NE1 3.41Å
133W91.6Very high86.9Confident9 Ų941.8 Ų41.83%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-76.9148.4172.7-71.693.1000112.3A71 V73 P74 L88 A90 L100 P135 R138 A141 V161 W248A71-W133 PolarHBondContact O-NE1 3.08Å; A71-W133 VanDerWaalsContact O-NE1 3.11Å; V73-W133 HydrophobicContact CG2-CD2 3.76Å; V73-W133 VanDerWaalsContact CG2-CE2 3.42Å; V73-W133 HydrophobicContact CG2-CE3 3.96Å; V73-W133 HydrophobicContact CG2-CG 4.49Å; V73-W133 HydrophobicContact CG2-CH2 3.54Å; V73-W133 HydrophobicContact CG2-CZ2 3.3Å; V73-W133 HydrophobicContact CG2-CZ3 3.87Å; P74-W133 VanDerWaalsContact CD-CB 3.48Å; P74-W133 HydrophobicContact CG-CB 3.87Å; L88-W133 HydrophobicContact CD2-CH2 4.33Å; L88-W133 HydrophobicContact CD2-CZ2 4.43Å; A90-W133 HydrophobicContact CB-CZ2 3.87Å; L100-W133 HydrophobicContact CD2-CH2 4.25Å; L100-W133 HydrophobicContact CD2-CZ2 3.84Å; W133-P135 VanDerWaalsContact O-CD 3.25Å; W133-P135 WeakPolarHBondContact O-CD 3.35Å; W133-R138 WeakPolarHBondContact CZ3-O 3.27Å; W133-A141 HydrophobicContact CD2-CB 3.86Å; W133-A141 HydrophobicContact CE3-CB 3.77Å; W133-A141 HydrophobicContact CH2-CB 4.15Å; W133-A141 HydrophobicContact CZ2-CB 4.23Å; W133-A141 HydrophobicContact CZ3-CB 3.9Å; W133-V161 HydrophobicContact CH2-CB 4.34Å; W133-V161 HydrophobicContact CH2-CG1 3.64Å; W133-V161 HydrophobicContact CH2-CG2 3.92Å; W133-V161 HydrophobicContact CZ3-CG1 3.92Å; W133-V161 HydrophobicContact CZ3-CG2 3.96Å; W133-W248 PolarHBondContact O-NE1 2.71Å
134N90.4Very high87.3Confident0 Ų032.3 Ų32.30%017%0.17CC..  trans-73.6115.1172.7-174.3-57.2000110.3P74 W136 K137 L140 W248 S250P74-N134 WeakPolarHBondContact CG-O 3.45Å; N134-W136 PolarHBondContact O-N 2.85Å; N134-W136 PolarHBondContact OD1-N 2.88Å; N134-K137 HydrophobicContact CB-CB 4.22Å; N134-K137 CarbonylContact O-C 3.53Å; N134-K137 PolarHBondContact O-N 2.92Å; N134-K137 PolarHBondContact OD1-N 3.24Å; N134-L140 HydrophobicContact CB-CB 3.89Å; N134-L140 PolarHBondContact N-O 2.97Å; N134-W248 VanDerWaalsContact CA-CD1 3.5Å; N134-W248 HydrophobicContact CB-CD2 3.93Å; N134-W248 HydrophobicContact CB-CE3 4.46Å; N134-W248 HydrophobicContact CB-CG 4.31Å; N134-W248 HydrophobicContact CB-CH2 4.33Å; N134-W248 HydrophobicContact CB-CZ2 3.75Å; N134-W248 VanDerWaalsContact ND2-CD2 3.32Å; N134-W248 WeakPolarHBondContact ND2-CH2 3.44Å; N134-W248 WeakPolarHBondContact ND2-CZ3 3.29Å; N134-S250 PolarHBondContact ND2-O 3.48Å
135P86.2Confident87.6Confident67 Ų6731 Ų3144%0.43516%0.164SC..THydrogen-bonded Turntrans-57.5-22.4-175.5-25.434.8000115W133 W248W133-P135 VanDerWaalsContact O-CD 3.25Å; W133-P135 WeakPolarHBondContact O-CD 3.35Å; P135-W248 HydrophobicContact CG-CB 4.45Å
136W84.3Confident87.6Confident115 Ų11529.1 Ų29.144%0.43615%0.147SC..THydrogen-bonded Turntrans-110.2-18.3-175.8-54-86000114.2N134 W248 L249 S250 K251N134-W136 PolarHBondContact O-N 2.85Å; N134-W136 PolarHBondContact OD1-N 2.88Å; W136-W248 HydrophobicContact CZ3-CB 3.83Å; W136-L249 VanDerWaalsContact CH2-C 3.5Å; W136-L249 WeakPolarHBondContact CH2-O 3.33Å; W136-S250 VanDerWaalsContact CE3-O 3.24Å; W136-S250 VanDerWaalsContact CZ3-C 3.48Å; W136-S250 VanDerWaalsContact CZ3-CA 3.42Å; W136-S250 WeakPolarHBondContact CZ3-O 3.28Å; W136-K251 HydrophobicContact CB-CB 4.41Å; W136-K251 HydrophobicContact CB-CD 4.34Å; W136-K251 HydrophobicContact CB-CG 3.36Å; W136-K251 HydrophobicContact CG-CG 3.92Å
137K86.8Confident87.2Confident78 Ų7837.7 Ų37.734%0.33918%0.18SC..  trans-125.390.1177.9-74.4-174177.2163.40109.5N134 N139 L140 K251N134-K137 HydrophobicContact CB-CB 4.22Å; N134-K137 CarbonylContact O-C 3.53Å; N134-K137 PolarHBondContact O-N 2.92Å; N134-K137 PolarHBondContact OD1-N 3.24Å; K137-N139 PolarHBondContact O-N 2.94Å; K137-L140 HydrophobicContact CB-CB 4.4Å; K137-L140 HydrophobicContact CB-CD1 3.9Å; K137-L140 HydrophobicContact CB-CG 3.98Å; K137-L140 HydrophobicContact CD-CD1 3.58Å; K137-L140 HydrophobicContact CD-CG 4.38Å; K137-L140 HydrophobicContact CG-CD1 4.42Å; K137-L140 PolarHBondContact O-N 2.98Å; K137-K251 WeakPolarHBondContact CD-O 3.34Å; K137-K251 VanDerWaalsContact CE-O 3.26Å; K137-K251 WeakPolarHBondContact CE-O 3.42Å; K137-K251 PolarHBondContact NZ-O 3.39Å
138R85.1Confident86.7Confident16 Ų1634.8 Ų34.86%0.0617%0.165CC..THydrogen-bonded Turntrans-63.6-14.6-171-61.5176.770.3-140.6-8.4115.1V73 P74 D82 V84 P85 N86 W133 L140V73-R138 HydrophobicContact CG1-CB 4.37Å; P74-R138 HydrophobicContact CB-CG 4.31Å; P74-R138 PolarHBondContact O-NE 3.45Å; D82-R138 WeakPolarHBondContact OD2-CD 3.16Å; D82-R138 IonicContact OD2-CZ 3.23Å; D82-R138 IonicContact OD2-NE 2.71Å; D82-R138 IonicContact OD2-NH1 3.72Å; D82-R138 PolarHBondContact OD2-NH1 3.25Å; V84-R138 HydrophobicContact CB-CB 4.45Å; V84-R138 HydrophobicContact CG2-CB 4.48Å; V84-R138 PolarHBondContact O-NH1 3.34Å; V84-R138 VanDerWaalsContact O-NH1 3.11Å; V84-R138 PolarHBondContact O-NH2 2.77Å; P85-R138 PolarHBondContact O-NH2 2.79Å; P85-R138 VanDerWaalsContact O-NH2 3.08Å; N86-R138 PolarHBondContact OD1-NH2 3.16Å; W133-R138 WeakPolarHBondContact CZ3-O 3.27Å; R138-L140 VanDerWaalsContact C-N 3.34Å
139N85.9Confident85.9Confident45 Ų4545.5 Ų45.524%0.24121%0.205CC..THydrogen-bonded Turntrans-83.7-8.8173.565.5-56.2000113.3V84 K137 D160 V161 T162V84-N139 HydrophobicContact CG2-CB 4.43Å; K137-N139 PolarHBondContact O-N 2.94Å; N139-D160 VanDerWaalsContact ND2-CG 3.26Å; N139-D160 PolarHBondContact ND2-OD1 3.09Å; N139-D160 PolarHBondContact ND2-OD2 3.42Å; N139-D160 CarbonylContact O-C 3.41Å; N139-D160 WeakPolarHBondContact O-CA 3.35Å; N139-V161 PolarHBondContact O-N 3.32Å; N139-T162 HydrophobicContact CB-CG2 3.82Å
140L90.9Very high85.1Confident5 Ų547.9 Ų47.93%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-103.3122.8-176.4-57.4-174.6000112.3N134 K137 R138 W159 D160 L235 L268N134-L140 HydrophobicContact CB-CB 3.89Å; N134-L140 PolarHBondContact N-O 2.97Å; K137-L140 HydrophobicContact CB-CB 4.4Å; K137-L140 HydrophobicContact CB-CD1 3.9Å; K137-L140 HydrophobicContact CB-CG 3.98Å; K137-L140 HydrophobicContact CD-CD1 3.58Å; K137-L140 HydrophobicContact CD-CG 4.38Å; K137-L140 HydrophobicContact CG-CD1 4.42Å; K137-L140 PolarHBondContact O-N 2.98Å; R138-L140 VanDerWaalsContact C-N 3.34Å; L140-W159 VanDerWaalsContact CA-O 3.27Å; L140-W159 WeakPolarHBondContact CA-O 3.4Å; L140-D160 HydrophobicContact CD2-CB 4.01Å; L140-L235 HydrophobicContact CD2-CD2 3.61Å; L140-L268 HydrophobicContact CD1-CD1 4.08Å
141A91.3Very high84Confident0 Ų051.5 Ų51.50%024%0.243CC..EExtended strand (participates in β ladder)trans-121.8132.6172.100000110.1W133 W159 V161W133-A141 HydrophobicContact CD2-CB 3.86Å; W133-A141 HydrophobicContact CE3-CB 3.77Å; W133-A141 HydrophobicContact CH2-CB 4.15Å; W133-A141 HydrophobicContact CZ2-CB 4.23Å; W133-A141 HydrophobicContact CZ3-CB 3.9Å; A141-W159 PolarHBondContact N-O 3.46Å; A141-W159 WeakPolarHBondContact O-CB 3.14Å; A141-W159 PolarHBondContact O-N 3.12Å; A141-V161 HydrophobicContact CB-CG1 4.36Å
142T92.8Very high83.1Confident0 Ų062.1 Ų62.10%028%0.282CS..EExtended strand (participates in β ladder)trans-104.6133.8177.3-54.90000110.5F130 L131 V132 V156 L157 I158 F246 W248F130-T142 HydrophobicContact CE2-CG2 4.11Å; L131-T142 CarbonylContact C-O 3.57Å; L131-T142 WeakPolarHBondContact CA-O 3.44Å; V132-T142 PolarHBondContact N-O 3.17Å; V132-T142 PolarHBondContact O-N 3.34Å; T142-V156 HydrophobicContact CG2-CG1 3.4Å; T142-L157 CarbonylContact C-O 3.09Å; T142-L157 WeakPolarHBondContact CA-O 3.28Å; T142-I158 HydrophobicContact CG2-CG1 4.01Å; T142-F246 HydrophobicContact CG2-CD1 4.31Å; T142-F246 HydrophobicContact CG2-CD2 4.03Å; T142-F246 HydrophobicContact CG2-CE1 4.03Å; T142-F246 HydrophobicContact CG2-CE2 3.67Å; T142-F246 HydrophobicContact CG2-CG 4.35Å; T142-F246 HydrophobicContact CG2-CZ 3.7Å; T142-W248 WeakPolarHBondContact OG1-CZ2 3.48Å
143Q91.4Very high82.6Confident0 Ų061.7 Ų61.70%028%0.277CS..EExtended strand (participates in β ladder)trans-120.5127176.9-173.4-178.214.600109.7G96 V98 T128 L131 F145 V156 L157G96-Q143 PolarHBondContact O-NE2 2.59Å; V98-Q143 HydrophobicContact CG2-CG 4.4Å; T128-Q143 HydrophobicContact CG2-CG 3.64Å; T128-Q143 PolarHBondContact OG1-NE2 2.83Å; L131-Q143 HydrophobicContact CD1-CB 4.19Å; L131-Q143 HydrophobicContact CD1-CG 4.47Å; Q143-F145 HydrophobicContact CB-CE2 4.31Å; Q143-F145 HydrophobicContact CG-CE1 4.37Å; Q143-F145 HydrophobicContact CG-CE2 3.78Å; Q143-F145 HydrophobicContact CG-CZ 3.71Å; Q143-F145 VanDerWaalsContact NE2-CZ 3.31Å; Q143-V156 CarbonylContact O-C 3.49Å; Q143-V156 WeakPolarHBondContact O-CA 3.31Å; Q143-L157 PolarHBondContact N-O 2.81Å; Q143-L157 PolarHBondContact O-N 3.36Å
144G90.2Very high82.2Confident0 Ų062 Ų620%028%0.281CS..EExtended strand (participates in β ladder)trans-102.8151.4174.700000112.3T128 T129 F130 S155T128-G144 CarbonylContact C-O 3.57Å; T128-G144 VanDerWaalsContact CA-O 3.23Å; T128-G144 WeakPolarHBondContact CA-O 3.5Å; T128-G144 WeakPolarHBondContact CG2-O 3.5Å; T129-G144 PolarHBondContact N-O 3.43Å; T129-G144 PolarHBondContact OG1-O 2.9Å; F130-G144 VanDerWaalsContact CE2-CA 3.44Å; F130-G144 VanDerWaalsContact CE2-N 3.33Å; F130-G144 PolarHBondContact O-N 3.14Å; G144-S155 CarbonylContact C-O 3.57Å; G144-S155 WeakPolarHBondContact CA-O 3.46Å
145F87.2Confident82Confident0 Ų062 Ų620%028%0.281CS..EExtended strand (participates in β ladder)trans-128.5154.6178.4-62-88.5000111.2P122 F124 R126 T129 Q143 S155 L157P122-F145 HydrophobicContact CB-CZ 3.98Å; P122-F145 HydrophobicContact CG-CE1 4.12Å; P122-F145 HydrophobicContact CG-CZ 3.89Å; F124-F145 AromaticContact CE2-CD1 3.77Å; F124-F145 HydrophobicContact CE2-CD1 3.77Å; F124-F145 AromaticContact CE2-CD2 3.92Å; F124-F145 HydrophobicContact CE2-CD2 3.92Å; F124-F145 AromaticContact CE2-CE1 3.75Å; F124-F145 HydrophobicContact CE2-CE1 3.75Å; F124-F145 AromaticContact CE2-CE2 3.94Å; F124-F145 HydrophobicContact CE2-CE2 3.94Å; F124-F145 AromaticContact CE2-CG 3.83Å; F124-F145 HydrophobicContact CE2-CG 3.83Å; F124-F145 AromaticContact CE2-CZ 3.82Å; F124-F145 HydrophobicContact CE2-CZ 3.82Å; F124-F145 AromaticContact CZ-CD2 3.96Å; F124-F145 HydrophobicContact CZ-CD2 3.96Å; F124-F145 HydrophobicContact CZ-CE1 4.44Å; F124-F145 AromaticContact CZ-CE2 3.84Å; F124-F145 HydrophobicContact CZ-CE2 3.84Å; F124-F145 HydrophobicContact CZ-CG 4.33Å; F124-F145 HydrophobicContact CZ-CZ 4.05Å; R126-F145 HydrophobicContact CB-CB 4.49Å; R126-F145 HydrophobicContact CB-CD1 3.83Å; T129-F145 PolarHBondContact OG1-N 3.26Å; Q143-F145 HydrophobicContact CB-CE2 4.31Å; Q143-F145 HydrophobicContact CG-CE1 4.37Å; Q143-F145 HydrophobicContact CG-CE2 3.78Å; Q143-F145 HydrophobicContact CG-CZ 3.71Å; Q143-F145 VanDerWaalsContact NE2-CZ 3.31Å; F145-S155 PolarHBondContact N-O 3.37Å; F145-L157 HydrophobicContact CD2-CG 4.44Å; F145-L157 HydrophobicContact CE2-CB 4.21Å; F145-L157 HydrophobicContact CE2-CD1 3.61Å; F145-L157 HydrophobicContact CE2-CG 3.69Å; F145-L157 HydrophobicContact CZ-CD1 4.01Å
146D78.7Confident82.2Confident52 Ų5259 Ų5928%0.27826%0.261SS..SBendtrans-63.9-178.9172.962.8-6.7000112.1R126 N127 T129R126-D146 VanDerWaalsContact CD-OD1 3.27Å; R126-D146 WeakPolarHBondContact CD-OD1 3.4Å; R126-D146 IonicContact CZ-OD1 3.63Å; R126-D146 PolarHBondContact NE-O 2.88Å; R126-D146 VanDerWaalsContact NE-O 3.09Å; R126-D146 IonicContact NE-OD1 3.83Å; R126-D146 PolarHBondContact NE-OD1 3.42Å; R126-D146 PolarHBondContact NH1-O 3.05Å; N127-D146 PolarHBondContact O-N 3.2Å; T129-D146 HydrophobicContact CG2-CB 4.02Å
147R74.6Confident82.5Confident191 Ų19153.7 Ų53.772%0.72124%0.241SC*.  trans-56.2126.5-176.9-170.3175-179.9138.1-1.9112.7D242R147-D242 HydrophobicContact CB-CB 3.94Å; R147-D242 HydrophobicContact CG-CB 4.28Å; R147-D242 PolarHBondContact N-OD1 2.88Å
148P70.3Confident82.8Confident18 Ų1850 Ų5012%0.11723%0.225CC..  trans-66.2139.8177.424.7-31.7000111.8N150 E153 I240P148-N150 WeakPolarHBondContact CB-O 3.48Å; P148-E153 HydrophobicContact CB-CB 3.93Å; P148-I240 WeakPolarHBondContact CG-O 3.21Å
149R70.1Confident83Confident236 Ų23649.2 Ų49.289%0.89122%0.222SC*.SBendtrans-73.9-38.5169.8-63.3-173.1-167.8-160.14.5110.9
150N68.3Low83.2Confident100 Ų10047.9 Ų47.954%0.53522%0.215SC..SBendtrans-105.5133179.7-66-34.6000110.7P148 R152 E153P148-N150 WeakPolarHBondContact CB-O 3.48Å; N150-R152 PolarHBondContact O-N 3.47Å; N150-E153 HydrophobicContact CB-CG 4.23Å; N150-E153 PolarHBondContact ND2-OE1 3.4Å; N150-E153 VanDerWaalsContact ND2-OE1 3.11Å; N150-E153 PolarHBondContact O-N 3.05Å; N150-E153 VanDerWaalsContact O-N 3.08Å
151S66.3Low82.9Confident94 Ų9447.7 Ų47.766%0.65721%0.214SC*.THydrogen-bonded Turntrans-66.63.9-178.468.70000115.4I240S151-I240 WeakPolarHBondContact O-CD1 3.36Å; S151-I240 WeakPolarHBondContact O-CG2 3.48Å
152R71.3Confident82.5Confident234 Ų23449 Ų4988%0.88322%0.221SC*.THydrogen-bonded Turntrans-105.3-9.7175.3-68.6-172.7178.5-177.50.1113.1N150N150-R152 PolarHBondContact O-N 3.47Å
153E80.6Confident81.6Confident35 Ų3553.3 Ų53.316%0.16424%0.24CC..SBendtrans-80.8130-178.9-71.3168.8-159.500110.3F124 R126 P148 N150F124-E153 HydrophobicContact CB-CG 4.3Å; F124-E153 HydrophobicContact CD1-CG 4.35Å; F124-E153 HydrophobicContact CG-CG 4.33Å; R126-E153 IonicContact CZ-OE2 2.77Å; R126-E153 IonicContact NH2-OE2 3.25Å; R126-E153 PolarHBondContact NH2-OE2 3.4Å; P148-E153 HydrophobicContact CB-CB 3.93Å; N150-E153 HydrophobicContact CB-CG 4.23Å; N150-E153 PolarHBondContact ND2-OE1 3.4Å; N150-E153 VanDerWaalsContact ND2-OE1 3.11Å; N150-E153 PolarHBondContact O-N 3.05Å; N150-E153 VanDerWaalsContact O-N 3.08Å
154P84.4Confident80.2Confident17 Ų1760.3 Ų60.311%0.1127%0.268CS..  trans-69.8158.617530.7-35.6000111.3F124 R126 L157 D237 G239F124-P154 HydrophobicContact CE1-CG 3.7Å; F124-P154 HydrophobicContact CZ-CG 4.11Å; R126-P154 PolarHBondContact NH1-O 3.03Å; P154-L157 HydrophobicContact CB-CD2 4.05Å; P154-L157 HydrophobicContact CG-CD2 3.53Å; P154-D237 HydrophobicContact CB-CB 3.65Å; P154-D237 HydrophobicContact CG-CB 3.79Å; P154-G239 CarbonylContact C-O 3.58Å; P154-G239 VanDerWaalsContact CA-O 3.31Å; P154-G239 WeakPolarHBondContact CA-O 3.19Å
155S86.3Confident78.6Confident0 Ų061.5 Ų61.50%028%0.275CS..SBendtrans-108.8-19.5-177.7-49.30000112G144 F145 L238 G239 Q241G144-S155 CarbonylContact C-O 3.57Å; G144-S155 WeakPolarHBondContact CA-O 3.46Å; F145-S155 PolarHBondContact N-O 3.37Å; S155-L238 PolarHBondContact N-O 3.27Å; S155-L238 VanDerWaalsContact N-O 3.09Å; S155-G239 WeakPolarHBondContact CB-O 3.12Å; S155-G239 PolarHBondContact N-O 2.65Å; S155-G239 PolarHBondContact OG-O 3.32Å; S155-Q241 WeakPolarHBondContact CB-O 3.34Å; S155-Q241 PolarHBondContact OG-N 2.75Å; S155-Q241 PolarHBondContact OG-O 2.88Å
156V89.9Confident76.7Confident3 Ų364.9 Ų64.92%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-130.6130.5172.5-177.20000109F130 T142 Q143 D237 L238 T243 F246F130-V156 HydrophobicContact CZ-CG2 4.14Å; T142-V156 HydrophobicContact CG2-CG1 3.4Å; Q143-V156 CarbonylContact O-C 3.49Å; Q143-V156 WeakPolarHBondContact O-CA 3.31Å; V156-D237 CarbonylContact O-C 3.52Å; V156-D237 WeakPolarHBondContact O-CA 3.35Å; V156-L238 HydrophobicContact CB-CB 4.26Å; V156-L238 HydrophobicContact CG1-CD1 4.47Å; V156-L238 PolarHBondContact N-O 2.84Å; V156-L238 PolarHBondContact O-N 3.26Å; V156-T243 HydrophobicContact CG2-CG2 3.78Å; V156-F246 HydrophobicContact CG1-CD2 4.48Å; V156-F246 HydrophobicContact CG1-CE2 4.4Å
157L90.7Very high74.7Confident4 Ų467.6 Ų67.62%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-115.6131.3171.9-63.8-174.6000109.5P122 F124 T142 Q143 F145 P154 W159 P234 D237P122-L157 HydrophobicContact CB-CD1 3.86Å; F124-L157 HydrophobicContact CE1-CD1 4.24Å; F124-L157 HydrophobicContact CZ-CD1 3.94Å; F124-L157 HydrophobicContact CZ-CG 4.38Å; T142-L157 CarbonylContact C-O 3.09Å; T142-L157 WeakPolarHBondContact CA-O 3.28Å; Q143-L157 PolarHBondContact N-O 2.81Å; Q143-L157 PolarHBondContact O-N 3.36Å; F145-L157 HydrophobicContact CD2-CG 4.44Å; F145-L157 HydrophobicContact CE2-CB 4.21Å; F145-L157 HydrophobicContact CE2-CD1 3.61Å; F145-L157 HydrophobicContact CE2-CG 3.69Å; F145-L157 HydrophobicContact CZ-CD1 4.01Å; P154-L157 HydrophobicContact CB-CD2 4.05Å; P154-L157 HydrophobicContact CG-CD2 3.53Å; L157-W159 HydrophobicContact CB-CZ2 4.3Å; L157-W159 HydrophobicContact CD1-CH2 4.2Å; L157-W159 HydrophobicContact CD1-CZ2 3.53Å; L157-P234 HydrophobicContact CB-CB 4.22Å; L157-P234 HydrophobicContact CD1-CG 4.49Å; L157-P234 HydrophobicContact CD2-CB 4.17Å; L157-P234 HydrophobicContact CD2-CG 3.8Å; L157-D237 HydrophobicContact CD2-CB 3.48Å; L157-D237 VanDerWaalsContact CD2-CB 3.48Å
158I91.8Very high72.8Confident0 Ų067.7 Ų67.70%033%0.333CS..EExtended strand (participates in β ladder)trans-107.6118.2172-57.8-179.2000106.8T142 P234 L235 C236 L238 W248 F254 L268T142-I158 HydrophobicContact CG2-CG1 4.01Å; I158-P234 CarbonylContact O-C 3.6Å; I158-L235 HydrophobicContact CG2-CD2 4.39Å; I158-L235 WeakPolarHBondContact O-CA 3.32Å; I158-L235 VanDerWaalsContact O-CB 3.26Å; I158-L235 WeakPolarHBondContact O-CB 3.15Å; I158-L235 PolarHBondContact O-N 2.84Å; I158-C236 HydrophobicContact CB-CB 4.4Å; I158-C236 PolarHBondContact N-O 2.8Å; I158-C236 PolarHBondContact O-N 2.83Å; I158-L238 HydrophobicContact CD1-CD1 3.82Å; I158-L238 HydrophobicContact CG1-CD1 4.18Å; I158-W248 HydrophobicContact CD1-CH2 4.08Å; I158-W248 HydrophobicContact CG2-CH2 4.28Å; I158-W248 HydrophobicContact CG2-CZ2 4.42Å; I158-F254 HydrophobicContact CD1-CD1 4.38Å; I158-F254 HydrophobicContact CD1-CE1 3.71Å; I158-F254 HydrophobicContact CD1-CZ 3.99Å; I158-L268 HydrophobicContact CD1-CD2 3.48Å; I158-L268 VanDerWaalsContact CD1-CD2 3.48Å
159W90.7Very high70.9Confident0 Ų075.5 Ų75.50%037%0.368CS..EExtended strand (participates in β ladder)trans-97.4134.8-178.4-60.2101000110L120 P122 L140 A141 L157 P234L120-W159 HydrophobicContact CB-CD2 3.99Å; L120-W159 HydrophobicContact CB-CE3 4.08Å; L120-W159 HydrophobicContact CB-CG 4.5Å; L120-W159 HydrophobicContact CB-CH2 4.36Å; L120-W159 HydrophobicContact CB-CZ2 4.28Å; L120-W159 HydrophobicContact CB-CZ3 4.26Å; L120-W159 HydrophobicContact CD1-CB 3.86Å; L120-W159 HydrophobicContact CD1-CD2 4.11Å; L120-W159 HydrophobicContact CD1-CG 3.75Å; P122-W159 HydrophobicContact CB-CZ2 4.45Å; L140-W159 VanDerWaalsContact CA-O 3.27Å; L140-W159 WeakPolarHBondContact CA-O 3.4Å; A141-W159 PolarHBondContact N-O 3.46Å; A141-W159 WeakPolarHBondContact O-CB 3.14Å; A141-W159 PolarHBondContact O-N 3.12Å; L157-W159 HydrophobicContact CB-CZ2 4.3Å; L157-W159 HydrophobicContact CD1-CH2 4.2Å; L157-W159 HydrophobicContact CD1-CZ2 3.53Å; W159-P234 HydrophobicContact CD2-CB 4.24Å; W159-P234 HydrophobicContact CE3-CB 3.98Å; W159-P234 HydrophobicContact CH2-CB 4.39Å; W159-P234 HydrophobicContact CZ3-CB 4.06Å
160D88.5Confident69.1Low17 Ų1770.3 Ų70.39%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-99.4100.9161.8-172-10.6000107.8N139 L140 T162 K163 L235N139-D160 VanDerWaalsContact ND2-CG 3.26Å; N139-D160 PolarHBondContact ND2-OD1 3.09Å; N139-D160 PolarHBondContact ND2-OD2 3.42Å; N139-D160 CarbonylContact O-C 3.41Å; N139-D160 WeakPolarHBondContact O-CA 3.35Å; L140-D160 HydrophobicContact CD2-CB 4.01Å; D160-T162 PolarHBondContact O-N 2.85Å; D160-T162 VanDerWaalsContact O-N 3.16Å; D160-T162 PolarHBondContact OD1-N 2.93Å; D160-T162 PolarHBondContact OD1-OG1 2.91Å; D160-K163 HydrophobicContact CB-CB 4.33Å; D160-K163 HydrophobicContact CB-CD 3.92Å; D160-K163 HydrophobicContact CB-CG 3.97Å; D160-K163 PolarHBondContact O-N 2.79Å; D160-K163 VanDerWaalsContact O-N 3.14Å; D160-K163 WeakPolarHBondContact OD2-CE 3.48Å; D160-K163 WeakPolarHBondContact OD2-CG 3.21Å; D160-L235 HydrophobicContact CB-CB 4.1Å; D160-L235 HydrophobicContact CB-CD1 4.5Å; D160-L235 HydrophobicContact CB-CD2 4.46Å
161V86.4Confident67.1Low0 Ų073.4 Ų73.40%038%0.379CS..THydrogen-bonded Turntrans-67.7-17.6-170.2-56.20000112.5L100 L115 K118 L120 W133 N139 A141L100-V161 HydrophobicContact CD1-CB 3.97Å; L100-V161 HydrophobicContact CD1-CG1 4.01Å; L115-V161 HydrophobicContact CD1-CG2 4.08Å; L115-V161 HydrophobicContact CD2-CB 4.27Å; L115-V161 HydrophobicContact CD2-CG2 4.15Å; L115-V161 WeakPolarHBondContact CD2-O 3.39Å; K118-V161 PolarHBondContact NZ-O 2.93Å; L120-V161 HydrophobicContact CD1-CG1 3.99Å; W133-V161 HydrophobicContact CH2-CB 4.34Å; W133-V161 HydrophobicContact CH2-CG1 3.64Å; W133-V161 HydrophobicContact CH2-CG2 3.92Å; W133-V161 HydrophobicContact CZ3-CG1 3.92Å; W133-V161 HydrophobicContact CZ3-CG2 3.96Å; N139-V161 PolarHBondContact O-N 3.32Å; A141-V161 HydrophobicContact CB-CG1 4.36Å
162T81.9Confident65.3Low27 Ų2774.4 Ų74.417%0.16638%0.381CS..THydrogen-bonded Turntrans-89.7-11.6178.864.30000113V84 F113 N139 D160 T165V84-T162 HydrophobicContact CG2-CG2 4.12Å; F113-T162 HydrophobicContact CD2-CG2 3.38Å; F113-T162 HydrophobicContact CE2-CG2 3.52Å; F113-T162 HydrophobicContact CG-CG2 4.28Å; N139-T162 HydrophobicContact CB-CG2 3.82Å; D160-T162 PolarHBondContact O-N 2.85Å; D160-T162 VanDerWaalsContact O-N 3.16Å; D160-T162 PolarHBondContact OD1-N 2.93Å; D160-T162 PolarHBondContact OD1-OG1 2.91Å; T162-T165 PolarHBondContact O-OG1 3.05Å
163K74.5Confident63.2Low91 Ų9173.6 Ų73.640%0.39638%0.384SS..THydrogen-bonded Turntrans-73.3146.5174.1-74.9-174.9-179.8-178.80111.4K118 D160 T165K118-K163 PolarHBondContact NZ-O 2.79Å; D160-K163 HydrophobicContact CB-CB 4.33Å; D160-K163 HydrophobicContact CB-CD 3.92Å; D160-K163 HydrophobicContact CB-CG 3.97Å; D160-K163 PolarHBondContact O-N 2.79Å; D160-K163 VanDerWaalsContact O-N 3.14Å; D160-K163 WeakPolarHBondContact OD2-CE 3.48Å; D160-K163 WeakPolarHBondContact OD2-CG 3.21Å; K163-T165 VanDerWaalsContact C-N 3.28Å; K163-T165 PolarHBondContact O-N 3.47Å
164Y62Low60.8Low148 Ų14876.9 Ų76.958%0.5841%0.41SS*.THydrogen-bonded Turntrans63.823.3179.7-50.8-75.9000115.4K233Y164-K233 HydrophobicContact CE2-CB 3.99Å
165T55.8Low58.1Low25 Ų2582.4 Ų82.415%0.15344%0.444CS..PPolyproline II helixtrans-87.2116.217053.30000108.8F113 L115 K118 T162 K163 S167F113-T165 HydrophobicContact CB-CG2 4.11Å; F113-T165 WeakPolarHBondContact CD1-OG1 3.44Å; F113-T165 VanDerWaalsContact O-CB 3.26Å; F113-T165 WeakPolarHBondContact O-CB 3.48Å; F113-T165 WeakPolarHBondContact O-CG2 3.23Å; L115-T165 HydrophobicContact CD2-CG2 4.29Å; K118-T165 HydrophobicContact CD-CG2 4.19Å; T162-T165 PolarHBondContact O-OG1 3.05Å; K163-T165 VanDerWaalsContact C-N 3.28Å; K163-T165 PolarHBondContact O-N 3.47Å; T165-S167 PolarHBondContact O-N 2.88Å
166G47.1Very low55.3Low70 Ų7089 Ų8972%0.72248%0.479SS*.PPolyproline II helixtrans-61.7120175.100000109.3R168G166-R168 PolarHBondContact O-N 3.34Å; G166-R168 VanDerWaalsContact O-N 3.16Å
167S38Very low52.3Low109 Ų109100 Ų10076%0.76252%0.52SS*.PPolyproline II helixtrans-52.7121.3170.7-176.30000108.5T165 H169T165-S167 PolarHBondContact O-N 2.88Å; S167-H169 PolarHBondContact O-N 2.9Å
168R33.7Very low49.2Very low194 Ų194103.2 Ų103.273%0.73256%0.555SS**  trans-53.3112.3173.8-91.8179.8165174.8-3107.8G166 T170G166-R168 PolarHBondContact O-N 3.34Å; G166-R168 VanDerWaalsContact O-N 3.16Å; R168-T170 PolarHBondContact O-N 2.94Å
169H30.3Very low46.1Very low182 Ų182108.6 Ų108.684%0.84359%0.593SS**  trans-55.8105.8177.5-75.4-77.9000109.9S167 N171S167-H169 PolarHBondContact O-N 2.9Å; H169-N171 PolarHBondContact O-N 2.81Å
170T31.8Very low43Very low127 Ų127114.5 Ų114.578%0.77963%0.628SS**  trans-75.9113161.946.50000106.9R168 V172R168-T170 PolarHBondContact O-N 2.94Å; T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 PolarHBondContact O-N 3.27Å
171N26.3Very low39.9Very low164 Ų164119 Ų11988%0.87766%0.66SS**  trans-60.290.9176.8-82.4-32.2000110.3H169H169-N171 PolarHBondContact O-N 2.81Å
172V28.4Very low37Very low116 Ų116123.1 Ų123.170%0.70369%0.694SS**  trans-123.4106.3160.4-177.20000106.7T170 S174T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 PolarHBondContact O-N 3.27Å; V172-S174 PolarHBondContact O-N 3.27Å; V172-S174 VanDerWaalsContact O-N 3.08Å
173K28.1Very low34.3Very low216 Ų216128.8 Ų128.894%0.93972%0.723SS**  trans-61.6105.3168.1-69.8177.1176.7178.10107.5
174S29.2Very low31.9Very low104 Ų104132.2 Ų132.273%0.72775%0.746SS**  trans-139.5128.6157.857.60000109.7V172V172-S174 PolarHBondContact O-N 3.27Å; V172-S174 VanDerWaalsContact O-N 3.08Å
175T29.4Very low30.2Very low133 Ų133133.8 Ų133.882%0.81676%0.764SS**  trans-72.3142.2-174.543.90000111.9
176D26.8Very low28.7Very low138 Ų138140.4 Ų140.474%0.73879%0.792SS**  trans62.8115.1150.2-80-38000122
177R27Very low27.6Very low234 Ų234142.6 Ų142.688%0.88379%0.792SS**  trans67.3120.8130.6-65.4-177.7-177.8-161.4-2.4121.7
178G25.9Very low26.9Very low72 Ų72145 Ų14574%0.74279%0.79SS**  trans100.790.214400000114.6
179S25.8Very low26.4Very low114 Ų114142.3 Ų142.380%0.79780%0.796SS**  49.910795-172.40000114.3
180V25.8Very low26.2Very low123 Ų123143.8 Ų143.875%0.74580%0.796SS**  175.4119.1110.2162.20000109.6
181C23.8Very low25.7Very low111 Ų111142.9 Ų142.975%0.7580%0.795SS**  trans21.2125.8140.5-40.90000122.2
182A24.9Very low25.6Very low87 Ų87143 Ų14372%0.71980%0.795SS**  70.9132.7125.800000121.4
183N25Very low25.4Very low147 Ų147143.5 Ų143.579%0.78680%0.8SS**  trans82.197.1162.9-58-11.6000116.4
184D25.8Very low25.1Very low162 Ų162142.8 Ų142.887%0.86680%0.797SS**  178.6107.5123.6-85.8-23.3000108.8
185L25.3Very low24.9Very low182 Ų182141.9 Ų141.995%0.95380%0.796SS**  trans-122.272.9176.1-160.774.1000109.5
186H24Very low24.7Very low163 Ų163143.4 Ų143.476%0.75580%0.798SS**  trans-95.2119.3160.8-95.4-57.7000110
187T23.7Very low24.6Very low116 Ų116144.6 Ų144.671%0.71280%0.804SS**  trans27.1101.7146.950.30000118.2
188H25Very low24.6Very low159 Ų159137.2 Ų137.274%0.73680%0.801SS**  trans-129.9115.5151.5-81.5-76.4000111.1Y190H188-Y190 WeakPolarHBondContact O-CD2 3.49Å
189T21.7Very low24.6Very low139 Ų139138.6 Ų138.685%0.85380%0.8SS**  trans-62.3119.1170.1-42.60000109.4
190Y26.2Very low24.5Very low212 Ų212139.7 Ų139.783%0.83180%0.796SS**  trans-98.6109.8172.5-74.4-84.2000109.5H188H188-Y190 WeakPolarHBondContact O-CD2 3.49Å
191S22Very low24.6Very low109 Ų109144.1 Ų144.176%0.76280%0.801SS**  trans-75.6134.5167.938.30000110.5
192L23.4Very low24.7Very low167 Ų167143.9 Ų143.987%0.87480%0.801SS**  trans-67.5132176.1-68.3156.4000111.6
193P24.4Very low24.8Very low126 Ų126146.3 Ų146.382%0.81881%0.806SS**  trans-105.3134.1159.812.87.5000111.3
194F23.2Very low25Very low200 Ų200144.7 Ų144.788%0.87780%0.804SS**  trans-69.3162.1-179.6-88.5-105.4000115.3
195A23.5Very low25Very low86 Ų86144.5 Ų144.571%0.71180%0.803SS**  trans84.3129144.800000118.9
196I25.9Very low25.4Very low165 Ų165142.6 Ų142.685%0.84680%0.799SS**  -174.8140.388.7-85.1163.7000110.3
197N23.9Very low25.5Very low162 Ų162143.6 Ų143.687%0.86680%0.804SS**  trans-54.6148.8171-68.5-32.3000114.2
198G28.3Very low25.6Very low80 Ų80142 Ų14283%0.82580%0.802SS**  trans-153.589.616200000110.1
199S24.8Very low25.6Very low101 Ų101140.8 Ų140.871%0.70681%0.806SS**  trans-71.5144.2161.649.60000109.9
200D24.9Very low25.7Very low136 Ų136139.3 Ų139.373%0.72780%0.802SS**  trans151.3156.1135.5-74.2-13.7000111.9
201Y27.9Very low25.7Very low216 Ų216133.8 Ų133.885%0.84779%0.794SS**  trans105.371.4176.1-61-77.3000117.2
202S25.6Very low25.8Very low106 Ų106136.4 Ų136.474%0.74180%0.799SS**  trans3.8120.5133.553.80000118.8
203V26.3Very low26Very low139 Ų139135 Ų13584%0.84280%0.797SS**PPolyproline II helixtrans-79.3128.5164.21790000109.4
204P28.5Very low26.1Very low112 Ų112133.4 Ų133.473%0.72779%0.788SS**PPolyproline II helixtrans-89.2131.2172.827.5-19.4000111.9
205D27.5Very low26.1Very low158 Ų158129.5 Ų129.585%0.84578%0.781SS**PPolyproline II helixtrans-57.1133.5165.3-74.8-47.4000111.6
206T33.1Very low26.2Very low143 Ų143135.9 Ų135.988%0.87779%0.788SS**  trans-150.8131.4148.515.90000110.4
207Q26.3Very low26.1Very low184 Ų184133.2 Ų133.286%0.8678%0.784SS**  trans-80.1141.9-168.6-64.5167.72.100111.8
208A25Very low26.1Very low82 Ų82130.2 Ų130.268%0.67878%0.775SS**  trans64.6134.613000000121.2
209T24.5Very low25.9Very low133 Ų133133.3 Ų133.382%0.81678%0.778SS**  trans104116.8144.5740000118.3
210S23.8Very low25.9Very low108 Ų108132.3 Ų132.376%0.75577%0.771SS**  trans91124.6132.9-175.50000118.7
211S27.3Very low25.8Very low96 Ų96133.5 Ų133.567%0.67178%0.777SS**  trans7874.1154.556.90000118.6V213S211-V213 VanDerWaalsContact C-N 3.29Å; S211-V213 PolarHBondContact O-N 3.3Å
212L24.4Very low25.7Very low164 Ų164131 Ų13186%0.85977%0.771SS**  trans-6669162.4-73.6164.5000113.1
213V26.8Very low25.6Very low139 Ų139134.8 Ų134.884%0.84278%0.777SS**  trans-128.65.6170.1-178.90000113.8S211S211-V213 VanDerWaalsContact C-N 3.29Å; S211-V213 PolarHBondContact O-N 3.3Å
214S25.7Very low25.5Very low91 Ų91137.1 Ų137.164%0.63677%0.771SS**  trans-115.712.4-17754.40000117Y216S214-Y216 PolarHBondContact O-N 3.41Å
215V24.6Very low25.4Very low118 Ų118140 Ų14072%0.71578%0.778SS**THydrogen-bonded Turntrans-75-4.8-178.6-176.30000113.9
216Y24.1Very low25.7Very low221 Ų221136.3 Ų136.387%0.86777%0.765SS**THydrogen-bonded Turntrans-91.712.2-177.6-85.9-69.9000117.2S214S214-Y216 PolarHBondContact O-N 3.41Å
217S24.5Very low26.1Very low109 Ų109137.4 Ų137.476%0.76277%0.765SS**SBendtrans-14125.9-178.354.40000116.7
218S23.6Very low27.4Very low98 Ų98131.6 Ų131.669%0.68574%0.743SS**  trans-135.757172.271.60000113.6
219V24.3Very low29.2Very low146 Ų146130.4 Ų130.489%0.88573%0.727SS**  trans-95.884.7145.5-177.80000104.9D221V219-D221 PolarHBondContact O-N 2.89Å
220S25.1Very low31.3Very low80 Ų80127.7 Ų127.756%0.55971%0.71SS**  trans-55.5128.2173.955.60000109.1K222S220-K222 PolarHBondContact O-N 2.8Å
221D23.9Very low33.7Very low160 Ų160122.6 Ų122.686%0.85668%0.675SS**  trans-52.888.1162-71.8-46000109V219 E223V219-D221 PolarHBondContact O-N 2.89Å; D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 2.84Å
222K24.8Very low36Very low164 Ų164123.3 Ų123.371%0.71367%0.667SS**  trans-7689.3168.1-79.3-172.6175.2179.50106.4S220 W224S220-K222 PolarHBondContact O-N 2.8Å; K222-W224 VanDerWaalsContact C-N 3.32Å; K222-W224 PolarHBondContact O-N 3.22Å
223E23Very low38.8Very low185 Ų185121.2 Ų121.286%0.86465%0.652SS**  trans-54.597.9161.8-72.3-173.4151.900108.5D221 I225D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 2.84Å; E223-I225 PolarHBondContact O-N 3.02Å
224W24.9Very low41.6Very low188 Ų188116.1 Ų116.171%0.71262%0.621SS**  trans-73.3108.6175.7-93.535.7000109.1N117 K222 S226N117-W224 WeakPolarHBondContact ND2-CZ3 3.26Å; K222-W224 VanDerWaalsContact C-N 3.32Å; K222-W224 PolarHBondContact O-N 3.22Å; W224-S226 PolarHBondContact O-N 2.84Å
225I26Very low44.4Very low173 Ų173115.1 Ų115.189%0.88761%0.608SS**  trans-62.4124.6169.7-61.8172.7000108.9E223E223-I225 PolarHBondContact O-N 3.02Å
226S33.3Very low47.2Very low81 Ų81110.3 Ų110.357%0.56658%0.58SS**  trans-74.7134.6-166.151.60000115.4W224W224-S226 PolarHBondContact O-N 2.84Å
227N42.1Very low50.1Low165 Ų165104.6 Ų104.688%0.88256%0.564SS**  trans-126.665.1139-89.7-15000107.6T229N227-T229 PolarHBondContact O-N 3.43Å
228T53.6Low52.7Low62 Ų6299.8 Ų99.838%0.3853%0.53SS..  trans-67.7118176.4-41.10000108.4N117 E119N117-T228 WeakPolarHBondContact O-CG2 3.31Å; E119-T228 HydrophobicContact CB-CG2 4.25Å; E119-T228 HydrophobicContact CG-CG2 3.81Å
229T63.6Low54.8Low57 Ų5796.8 Ų96.835%0.3551%0.514SS..  trans-87.7130.8171.158.10000108.8K118 E119 N227K118-T229 WeakPolarHBondContact CA-O 3.12Å; K118-T229 WeakPolarHBondContact CG-O 3.34Å; K118-T229 WeakPolarHBondContact CG-OG1 3.36Å; E119-T229 PolarHBondContact N-O 3.07Å; N227-T229 PolarHBondContact O-N 3.43Å
230T68Low56.9Low76 Ų7694.7 Ų94.747%0.46650%0.497SS..EExtended strand (participates in β ladder)trans-106.5141.3179.356.60000110.9E119E119-T230 HydrophobicContact CB-CG2 4.45Å; E119-T230 CarbonylContact O-C 3.54Å; E119-T230 VanDerWaalsContact O-CA 3.3Å; E119-T230 WeakPolarHBondContact O-CA 3.28Å
231C74.7Confident59.2Low2 Ų294.6 Ų94.61%0.01449%0.488CS..EExtended strand (participates in β ladder)trans-118.8115.4169.6-175.50000109.2E119 L120 T121E119-C231 PolarHBondContact O-N 3.31Å; L120-C231 WeakPolarHBondContact CA-O 3.46Å; L120-C231 HydrophobicContact CD2-CB 3.68Å; T121-C231 PolarHBondContact N-O 3.22Å
232E75.1Confident61.9Low110 Ų11089.6 Ų89.651%0.51446%0.461SS..  trans-105.5-3.7-177.1-61.9-175.9173.200113.6
233K82.5Confident64.8Low121 Ų12181.8 Ų81.853%0.52643%0.427SS..  trans-119.2105.8-176.1-166.6172.4176.7-1750110.8Y164Y164-K233 HydrophobicContact CE2-CB 3.99Å
234P86.2Confident67.8Low31 Ų3174.3 Ų74.320%0.20140%0.397CS..  trans-64.7156.6174.628.4-33.9000110.6L157 I158 W159 C236L157-P234 HydrophobicContact CB-CB 4.22Å; L157-P234 HydrophobicContact CD1-CG 4.49Å; L157-P234 HydrophobicContact CD2-CB 4.17Å; L157-P234 HydrophobicContact CD2-CG 3.8Å; I158-P234 CarbonylContact O-C 3.6Å; W159-P234 HydrophobicContact CD2-CB 4.24Å; W159-P234 HydrophobicContact CE3-CB 3.98Å; W159-P234 HydrophobicContact CH2-CB 4.39Å; W159-P234 HydrophobicContact CZ3-CB 4.06Å; P234-C236 VanDerWaalsContact C-N 3.31Å
235L85Confident71Confident71 Ų7165.8 Ų65.837%0.37237%0.366SS..SBendtrans-62.8-43172.717667.9000110.7L140 I158 D160L140-L235 HydrophobicContact CD2-CD2 3.61Å; I158-L235 HydrophobicContact CG2-CD2 4.39Å; I158-L235 WeakPolarHBondContact O-CA 3.32Å; I158-L235 VanDerWaalsContact O-CB 3.26Å; I158-L235 WeakPolarHBondContact O-CB 3.15Å; I158-L235 PolarHBondContact O-N 2.84Å; D160-L235 HydrophobicContact CB-CB 4.1Å; D160-L235 HydrophobicContact CB-CD1 4.5Å; D160-L235 HydrophobicContact CB-CD2 4.46Å
236C83.9Confident74.3Confident16 Ų1658 Ų5811%0.10833%0.326CS..EExtended strand (participates in β ladder)trans-151.4143-179.1173.30000109.2I158 P234 L238 P271I158-C236 HydrophobicContact CB-CB 4.4Å; I158-C236 PolarHBondContact N-O 2.8Å; I158-C236 PolarHBondContact O-N 2.83Å; P234-C236 VanDerWaalsContact C-N 3.31Å; C236-L238 WeakPolarHBondContact SG-CD1 3.41Å; C236-P271 WeakPolarHBondContact SG-CB 3.3Å; C236-P271 WeakPolarHBondContact SG-CG 3.29Å
237D84.2Confident77.1Confident101 Ų10154.5 Ų54.554%0.5430%0.302SS..EExtended strand (participates in β ladder)trans-119.7135.3171.959.6-28.2000110P154 V156 L157P154-D237 HydrophobicContact CB-CB 3.65Å; P154-D237 HydrophobicContact CG-CB 3.79Å; V156-D237 CarbonylContact O-C 3.52Å; V156-D237 WeakPolarHBondContact O-CA 3.35Å; L157-D237 HydrophobicContact CD2-CB 3.48Å; L157-D237 VanDerWaalsContact CD2-CB 3.48Å
238L78.8Confident79.6Confident8 Ų847.1 Ų47.14%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-130.6143.2-175.8-63.3101.7000112.4S155 V156 I158 C236 F254 F266 P271S155-L238 PolarHBondContact N-O 3.27Å; S155-L238 VanDerWaalsContact N-O 3.09Å; V156-L238 HydrophobicContact CB-CB 4.26Å; V156-L238 HydrophobicContact CG1-CD1 4.47Å; V156-L238 PolarHBondContact N-O 2.84Å; V156-L238 PolarHBondContact O-N 3.26Å; I158-L238 HydrophobicContact CD1-CD1 3.82Å; I158-L238 HydrophobicContact CG1-CD1 4.18Å; C236-L238 WeakPolarHBondContact SG-CD1 3.41Å; L238-F254 HydrophobicContact CD1-CZ 3.86Å; L238-F254 HydrophobicContact CD2-CE2 4.17Å; L238-F254 HydrophobicContact CD2-CZ 3.56Å; L238-F254 HydrophobicContact CG-CZ 4.36Å; L238-F266 HydrophobicContact CD2-CB 4.44Å; L238-F266 HydrophobicContact CD2-CD1 3.78Å; L238-F266 HydrophobicContact CD2-CE1 4.13Å; L238-F266 HydrophobicContact CD2-CG 4.08Å; L238-P271 HydrophobicContact CD1-CB 4.46Å; L238-P271 HydrophobicContact CD2-CB 3.77Å; L238-P271 WeakPolarHBondContact CD2-O 3.26Å; L238-P271 HydrophobicContact CG-CB 4.07Å
239G68.7Low81.3Confident35 Ų3544.6 Ų44.636%0.36125%0.246SC..  trans69.6135.8162.300000114.8P154 S155 Q241P154-G239 CarbonylContact C-O 3.58Å; P154-G239 VanDerWaalsContact CA-O 3.31Å; P154-G239 WeakPolarHBondContact CA-O 3.19Å; S155-G239 WeakPolarHBondContact CB-O 3.12Å; S155-G239 PolarHBondContact N-O 2.65Å; S155-G239 PolarHBondContact OG-O 3.32Å; G239-Q241 VanDerWaalsContact C-N 3.3Å
240I66.7Low82.5Confident102 Ų10243.5 Ų43.552%0.52324%0.241SC..SBendtrans-95.76.4172-57.8158.7000110P148 S151P148-I240 WeakPolarHBondContact CG-O 3.21Å; S151-I240 WeakPolarHBondContact O-CD1 3.36Å; S151-I240 WeakPolarHBondContact O-CG2 3.48Å
241Q75Confident83.3Confident78 Ų7845.9 Ų45.936%0.36424%0.244SC..SBendtrans-107139.3-172.2-63178.6-18.400110.9S155 G239 T243 M258S155-Q241 WeakPolarHBondContact CB-O 3.34Å; S155-Q241 PolarHBondContact OG-N 2.75Å; S155-Q241 PolarHBondContact OG-O 2.88Å; G239-Q241 VanDerWaalsContact C-N 3.3Å; Q241-T243 PolarHBondContact O-N 2.76Å; Q241-T243 PolarHBondContact O-OG1 3.13Å; Q241-T243 VanDerWaalsContact O-OG1 3.11Å; Q241-M258 HydrophobicContact CB-CE 4.09Å
242D79.1Confident84Confident56 Ų5647.4 Ų47.430%0.29926%0.255SS..  trans-45.6129.7174.9-169.96.9000111.7R147 M258 S259R147-D242 HydrophobicContact CB-CB 3.94Å; R147-D242 HydrophobicContact CG-CB 4.28Å; R147-D242 PolarHBondContact N-OD1 2.88Å; D242-M258 CarbonylContact O-C 3.42Å; D242-M258 VanDerWaalsContact O-CA 3.29Å; D242-M258 WeakPolarHBondContact O-CA 3.32Å; D242-S259 PolarHBondContact O-N 3.39Å
243T86.6Confident84.8Confident0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-120.9112.3-177.2-50.50000110T129 F130 V156 Q241 A256 G257 M258T129-T243 PolarHBondContact OG1-O 3.32Å; T129-T243 VanDerWaalsContact OG1-O 3.05Å; F130-T243 HydrophobicContact CE1-CG2 3.62Å; F130-T243 HydrophobicContact CZ-CG2 3.77Å; V156-T243 HydrophobicContact CG2-CG2 3.78Å; Q241-T243 PolarHBondContact O-N 2.76Å; Q241-T243 PolarHBondContact O-OG1 3.13Å; Q241-T243 VanDerWaalsContact O-OG1 3.11Å; T243-A256 HydrophobicContact CG2-CB 3.98Å; T243-G257 CarbonylContact C-O 3.49Å; T243-G257 WeakPolarHBondContact CA-O 3.48Å; T243-M258 HydrophobicContact CG2-CG 4.27Å
244A86.8Confident85.3Confident28 Ų2837.5 Ų37.523%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-88.3-31.9-171.600000113.4G257 V283 Y284A244-G257 PolarHBondContact N-O 3.17Å; A244-V283 HydrophobicContact CB-CG2 4.4Å; A244-Y284 HydrophobicContact CB-CD1 3.69Å; A244-Y284 HydrophobicContact CB-CE1 3.61Å
245S91.9Very high85.6Confident8 Ų836 Ų366%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-157.2165.1177.771.30000112.1A256 G257 V283 L286S245-A256 WeakPolarHBondContact O-CA 3.44Å; S245-G257 PolarHBondContact O-N 3.03Å; S245-V283 PolarHBondContact OG-O 3.35Å; S245-L286 WeakPolarHBondContact OG-CB 3.34Å; S245-L286 VanDerWaalsContact OG-CD1 3.27Å; S245-L286 WeakPolarHBondContact OG-CD1 3.18Å; S245-L286 WeakPolarHBondContact OG-CG 3.46Å; S245-L286 PolarHBondContact OG-N 3.43Å
246F93.7Very high86Confident9 Ų932.7 Ų32.74%0.03919%0.186CC..EExtended strand (participates in β ladder)trans-154.3144.3-172.9176.4-80.4000111.1F130 V132 T142 V156 W248 F254 I255 A256F130-F246 HydrophobicContact CD1-CB 4.28Å; F130-F246 HydrophobicContact CD2-CB 3.6Å; F130-F246 HydrophobicContact CD2-CG 4.24Å; F130-F246 HydrophobicContact CE1-CB 3.92Å; F130-F246 HydrophobicContact CE2-CB 3.17Å; F130-F246 HydrophobicContact CE2-CD1 4.3Å; F130-F246 HydrophobicContact CE2-CD2 4.03Å; F130-F246 AromaticContact CE2-CG 3.61Å; F130-F246 HydrophobicContact CE2-CG 3.61Å; F130-F246 HydrophobicContact CG-CB 4.13Å; F130-F246 HydrophobicContact CZ-CB 3.35Å; F130-F246 HydrophobicContact CZ-CD2 4.22Å; F130-F246 HydrophobicContact CZ-CG 4.05Å; V132-F246 HydrophobicContact CB-CD1 4.19Å; V132-F246 HydrophobicContact CG2-CD1 4.31Å; T142-F246 HydrophobicContact CG2-CD1 4.31Å; T142-F246 HydrophobicContact CG2-CD2 4.03Å; T142-F246 HydrophobicContact CG2-CE1 4.03Å; T142-F246 HydrophobicContact CG2-CE2 3.67Å; T142-F246 HydrophobicContact CG2-CG 4.35Å; T142-F246 HydrophobicContact CG2-CZ 3.7Å; V156-F246 HydrophobicContact CG1-CD2 4.48Å; V156-F246 HydrophobicContact CG1-CE2 4.4Å; F246-W248 AromaticContact CE1-CD1 3.6Å; F246-W248 AromaticContact CE1-CD2 3.91Å; F246-W248 HydrophobicContact CE1-CD2 3.91Å; F246-W248 AromaticContact CE1-CE2 3.78Å; F246-W248 AromaticContact CE1-CG 3.85Å; F246-W248 HydrophobicContact CE1-CG 3.85Å; F246-W248 AromaticContact CE1-NE1 3.52Å; F246-W248 AromaticContact CZ-CD2 3.95Å; F246-W248 HydrophobicContact CZ-CD2 3.95Å; F246-W248 AromaticContact CZ-CE2 3.83Å; F246-W248 HydrophobicContact CZ-CE3 4.37Å; F246-W248 HydrophobicContact CZ-CG 4.34Å; F246-W248 HydrophobicContact CZ-CZ2 4.21Å; F246-F254 AromaticContact CD2-CD2 3.97Å; F246-F254 HydrophobicContact CD2-CD2 3.97Å; F246-F254 HydrophobicContact CE1-CB 4.24Å; F246-F254 HydrophobicContact CE2-CB 3.71Å; F246-F254 HydrophobicContact CE2-CD1 4.34Å; F246-F254 AromaticContact CE2-CD2 3.15Å; F246-F254 HydrophobicContact CE2-CD2 3.15Å; F246-F254 AromaticContact CE2-CE2 3.72Å; F246-F254 HydrophobicContact CE2-CE2 3.72Å; F246-F254 AromaticContact CE2-CG 3.49Å; F246-F254 HydrophobicContact CE2-CG 3.49Å; F246-F254 VanDerWaalsContact CE2-CG 3.49Å; F246-F254 HydrophobicContact CE2-CZ 4.49Å; F246-F254 HydrophobicContact CZ-CB 3.43Å; F246-F254 VanDerWaalsContact CZ-CB 3.43Å; F246-F254 HydrophobicContact CZ-CD1 4.29Å; F246-F254 AromaticContact CZ-CD2 3.8Å; F246-F254 HydrophobicContact CZ-CD2 3.8Å; F246-F254 AromaticContact CZ-CG 3.6Å; F246-F254 HydrophobicContact CZ-CG 3.6Å; F246-I255 WeakPolarHBondContact CA-O 3.26Å; F246-A256 HydrophobicContact CD2-CB 4.27Å
247A93.5Very high86.4Confident8 Ų832 Ų327%0.06618%0.181CC..EExtended strand (participates in β ladder)trans-145.5143.2168.300000111.9F254 I255 L286 V288A247-F254 WeakPolarHBondContact O-CA 3.43Å; A247-F254 WeakPolarHBondContact O-CB 3.07Å; A247-I255 HydrophobicContact CB-CG2 4.08Å; A247-I255 PolarHBondContact N-O 3.22Å; A247-I255 PolarHBondContact O-N 3.14Å; A247-L286 HydrophobicContact CB-CB 4.36Å; A247-V288 HydrophobicContact CB-CG2 3.71Å
248W93.2Very high86.7Confident10 Ų1027.3 Ų27.34%0.03816%0.157CC..EExtended strand (participates in β ladder)trans-77.7137.8172.5-70.8104.5000111V132 W133 N134 P135 W136 T142 I158 F246 F254 L268V132-W248 PolarHBondContact O-NE1 3.41Å; W133-W248 PolarHBondContact O-NE1 2.71Å; N134-W248 VanDerWaalsContact CA-CD1 3.5Å; N134-W248 HydrophobicContact CB-CD2 3.93Å; N134-W248 HydrophobicContact CB-CE3 4.46Å; N134-W248 HydrophobicContact CB-CG 4.31Å; N134-W248 HydrophobicContact CB-CH2 4.33Å; N134-W248 HydrophobicContact CB-CZ2 3.75Å; N134-W248 VanDerWaalsContact ND2-CD2 3.32Å; N134-W248 WeakPolarHBondContact ND2-CH2 3.44Å; N134-W248 WeakPolarHBondContact ND2-CZ3 3.29Å; P135-W248 HydrophobicContact CG-CB 4.45Å; W136-W248 HydrophobicContact CZ3-CB 3.83Å; T142-W248 WeakPolarHBondContact OG1-CZ2 3.48Å; I158-W248 HydrophobicContact CD1-CH2 4.08Å; I158-W248 HydrophobicContact CG2-CH2 4.28Å; I158-W248 HydrophobicContact CG2-CZ2 4.42Å; F246-W248 AromaticContact CE1-CD1 3.6Å; F246-W248 AromaticContact CE1-CD2 3.91Å; F246-W248 HydrophobicContact CE1-CD2 3.91Å; F246-W248 AromaticContact CE1-CE2 3.78Å; F246-W248 AromaticContact CE1-CG 3.85Å; F246-W248 HydrophobicContact CE1-CG 3.85Å; F246-W248 AromaticContact CE1-NE1 3.52Å; F246-W248 AromaticContact CZ-CD2 3.95Å; F246-W248 HydrophobicContact CZ-CD2 3.95Å; F246-W248 AromaticContact CZ-CE2 3.83Å; F246-W248 HydrophobicContact CZ-CE3 4.37Å; F246-W248 HydrophobicContact CZ-CG 4.34Å; F246-W248 HydrophobicContact CZ-CZ2 4.21Å; W248-F254 HydrophobicContact CD2-CB 4.35Å; W248-F254 HydrophobicContact CE3-CB 3.82Å; W248-F254 HydrophobicContact CE3-CD1 4.25Å; W248-F254 HydrophobicContact CE3-CG 4.48Å; W248-F254 HydrophobicContact CH2-CD1 4.4Å; W248-F254 HydrophobicContact CZ3-CB 4.24Å; W248-F254 AromaticContact CZ3-CD1 3.79Å; W248-F254 HydrophobicContact CZ3-CD1 3.79Å; W248-F254 HydrophobicContact CZ3-CG 4.43Å; W248-L268 HydrophobicContact CH2-CD1 3.97Å; W248-L268 HydrophobicContact CH2-CD2 4.49Å; W248-L268 HydrophobicContact CZ3-CD1 3.92Å; W248-L268 HydrophobicContact CZ3-CG 4.32Å
249L90.6Very high87Confident9 Ų929.1 Ų29.15%0.04717%0.17CC..  trans-107-29.2178.5-61.9173000112.1W136 S253 I255 V265 V288 L309W136-L249 VanDerWaalsContact CH2-C 3.5Å; W136-L249 WeakPolarHBondContact CH2-O 3.33Å; L249-S253 PolarHBondContact N-O 2.76Å; L249-I255 HydrophobicContact CD1-CB 4.01Å; L249-I255 HydrophobicContact CD1-CG2 4.33Å; L249-I255 HydrophobicContact CD2-CG2 3.98Å; L249-I255 HydrophobicContact CG-CB 4.32Å; L249-I255 HydrophobicContact CG-CG2 4.13Å; L249-V265 HydrophobicContact CD1-CG1 3.91Å; L249-V265 HydrophobicContact CD1-CG2 4.35Å; L249-V288 HydrophobicContact CD2-CG2 3.94Å; L249-L309 HydrophobicContact CB-CD2 4.43Å; L249-L309 HydrophobicContact CD1-CD1 3.57Å; L249-L309 HydrophobicContact CD1-CD2 3.85Å; L249-L309 HydrophobicContact CD1-CG 4.38Å; L249-L309 HydrophobicContact CD2-CD1 4.44Å; L249-L309 HydrophobicContact CD2-CD2 4.25Å; L249-L309 HydrophobicContact CG-CD2 4.41Å
250S88.4Confident87.9Confident35 Ų3528.5 Ų28.525%0.24516%0.163CC..SBendtrans-157-170.4176.779.20000112.4N134 W136 S252 S253N134-S250 PolarHBondContact ND2-O 3.48Å; W136-S250 VanDerWaalsContact CE3-O 3.24Å; W136-S250 VanDerWaalsContact CZ3-C 3.48Å; W136-S250 VanDerWaalsContact CZ3-CA 3.42Å; W136-S250 WeakPolarHBondContact CZ3-O 3.28Å; S250-S252 PolarHBondContact O-N 2.8Å; S250-S252 PolarHBondContact OG-N 3.18Å; S250-S252 VanDerWaalsContact OG-N 3.16Å; S250-S253 WeakPolarHBondContact CB-OG 3.37Å; S250-S253 PolarHBondContact N-O 2.88Å; S250-S253 PolarHBondContact OG-N 2.89Å; S250-S253 PolarHBondContact OG-OG 3.32Å
251K85.4Confident89.1Confident125 Ų12526.5 Ų26.554%0.54316%0.156SC..SBendtrans-60.2-22.3171.6-71.6178.7-173.3-175.80114.1W136 K137W136-K251 HydrophobicContact CB-CB 4.41Å; W136-K251 HydrophobicContact CB-CD 4.34Å; W136-K251 HydrophobicContact CB-CG 3.36Å; W136-K251 HydrophobicContact CG-CG 3.92Å; K137-K251 WeakPolarHBondContact CD-O 3.34Å; K137-K251 VanDerWaalsContact CE-O 3.26Å; K137-K251 WeakPolarHBondContact CE-O 3.42Å; K137-K251 PolarHBondContact NZ-O 3.39Å
252S89Confident90Very high35 Ų3526.6 Ų26.625%0.24515%0.153CC..SBendtrans-133-8.1-177.763.50000114.1S250 D267 L268S250-S252 PolarHBondContact O-N 2.8Å; S250-S252 PolarHBondContact OG-N 3.18Å; S250-S252 VanDerWaalsContact OG-N 3.16Å; S252-D267 WeakPolarHBondContact CB-OD2 3.43Å; S252-D267 CarbonylContact O-C 3.31Å; S252-D267 WeakPolarHBondContact O-CA 3.39Å; S252-D267 PolarHBondContact OG-OD2 3.18Å; S252-L268 WeakPolarHBondContact O-CB 3.49Å; S252-L268 VanDerWaalsContact O-CG 3.3Å; S252-L268 WeakPolarHBondContact O-CG 3.34Å; S252-L268 PolarHBondContact O-N 2.71Å
253S90.9Very high90.7Very high22 Ų2223.9 Ų23.915%0.15414%0.139CC..EExtended strand (participates in β ladder)trans-122.1150.4-176.264.90000112.9L249 S250 F266L249-S253 PolarHBondContact N-O 2.76Å; S250-S253 WeakPolarHBondContact CB-OG 3.37Å; S250-S253 PolarHBondContact N-O 2.88Å; S250-S253 PolarHBondContact OG-N 2.89Å; S250-S253 PolarHBondContact OG-OG 3.32Å; S253-F266 VanDerWaalsContact CA-O 3.23Å; S253-F266 WeakPolarHBondContact CA-O 3.41Å; S253-F266 WeakPolarHBondContact CB-O 3.48Å
254F93.3Very high91Very high1 Ų125 Ų250%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-150.4164-179.458.7-92.8000111.5I158 L238 F246 A247 W248 V265 F266 L268I158-F254 HydrophobicContact CD1-CD1 4.38Å; I158-F254 HydrophobicContact CD1-CE1 3.71Å; I158-F254 HydrophobicContact CD1-CZ 3.99Å; L238-F254 HydrophobicContact CD1-CZ 3.86Å; L238-F254 HydrophobicContact CD2-CE2 4.17Å; L238-F254 HydrophobicContact CD2-CZ 3.56Å; L238-F254 HydrophobicContact CG-CZ 4.36Å; F246-F254 AromaticContact CD2-CD2 3.97Å; F246-F254 HydrophobicContact CD2-CD2 3.97Å; F246-F254 HydrophobicContact CE1-CB 4.24Å; F246-F254 HydrophobicContact CE2-CB 3.71Å; F246-F254 HydrophobicContact CE2-CD1 4.34Å; F246-F254 AromaticContact CE2-CD2 3.15Å; F246-F254 HydrophobicContact CE2-CD2 3.15Å; F246-F254 AromaticContact CE2-CE2 3.72Å; F246-F254 HydrophobicContact CE2-CE2 3.72Å; F246-F254 AromaticContact CE2-CG 3.49Å; F246-F254 HydrophobicContact CE2-CG 3.49Å; F246-F254 VanDerWaalsContact CE2-CG 3.49Å; F246-F254 HydrophobicContact CE2-CZ 4.49Å; F246-F254 HydrophobicContact CZ-CB 3.43Å; F246-F254 VanDerWaalsContact CZ-CB 3.43Å; F246-F254 HydrophobicContact CZ-CD1 4.29Å; F246-F254 AromaticContact CZ-CD2 3.8Å; F246-F254 HydrophobicContact CZ-CD2 3.8Å; F246-F254 AromaticContact CZ-CG 3.6Å; F246-F254 HydrophobicContact CZ-CG 3.6Å; A247-F254 WeakPolarHBondContact O-CA 3.43Å; A247-F254 WeakPolarHBondContact O-CB 3.07Å; W248-F254 HydrophobicContact CD2-CB 4.35Å; W248-F254 HydrophobicContact CE3-CB 3.82Å; W248-F254 HydrophobicContact CE3-CD1 4.25Å; W248-F254 HydrophobicContact CE3-CG 4.48Å; W248-F254 HydrophobicContact CH2-CD1 4.4Å; W248-F254 HydrophobicContact CZ3-CB 4.24Å; W248-F254 AromaticContact CZ3-CD1 3.79Å; W248-F254 HydrophobicContact CZ3-CD1 3.79Å; W248-F254 HydrophobicContact CZ3-CG 4.43Å; F254-V265 WeakPolarHBondContact O-CA 3.46Å; F254-F266 HydrophobicContact CD1-CB 4.37Å; F254-F266 HydrophobicContact CD2-CB 4.05Å; F254-F266 AromaticContact CD2-CD2 4Å; F254-F266 HydrophobicContact CD2-CD2 4Å; F254-F266 HydrophobicContact CD2-CG 4.43Å; F254-F266 HydrophobicContact CE1-CB 3.85Å; F254-F266 HydrophobicContact CE2-CB 3.52Å; F254-F266 AromaticContact CE2-CD2 3.46Å; F254-F266 HydrophobicContact CE2-CD2 3.46Å; F254-F266 VanDerWaalsContact CE2-CD2 3.46Å; F254-F266 HydrophobicContact CE2-CE2 4.36Å; F254-F266 AromaticContact CE2-CG 3.71Å; F254-F266 HydrophobicContact CE2-CG 3.71Å; F254-F266 HydrophobicContact CG-CB 4.48Å; F254-F266 HydrophobicContact CZ-CB 3.42Å; F254-F266 VanDerWaalsContact CZ-CB 3.42Å; F254-F266 HydrophobicContact CZ-CD2 4.17Å; F254-F266 AromaticContact CZ-CG 3.93Å; F254-F266 HydrophobicContact CZ-CG 3.93Å; F254-F266 PolarHBondContact N-O 3.48Å; F254-F266 PolarHBondContact O-N 3.42Å; F254-L268 HydrophobicContact CD1-CD2 4.48Å; F254-L268 HydrophobicContact CE1-CD2 3.87Å; F254-L268 HydrophobicContact CE1-CG 4.32Å
255I93.8Very high91.3Very high0 Ų024.2 Ų24.20%014%0.136CC..EExtended strand (participates in β ladder)trans-122140175.5-171.4168000110.1F246 A247 L249 L263 K264 V265 L286 F296F246-I255 WeakPolarHBondContact CA-O 3.26Å; A247-I255 HydrophobicContact CB-CG2 4.08Å; A247-I255 PolarHBondContact N-O 3.22Å; A247-I255 PolarHBondContact O-N 3.14Å; L249-I255 HydrophobicContact CD1-CB 4.01Å; L249-I255 HydrophobicContact CD1-CG2 4.33Å; L249-I255 HydrophobicContact CD2-CG2 3.98Å; L249-I255 HydrophobicContact CG-CB 4.32Å; L249-I255 HydrophobicContact CG-CG2 4.13Å; I255-L263 HydrophobicContact CD1-CB 4.27Å; I255-K264 WeakPolarHBondContact CA-O 3.43Å; I255-V265 HydrophobicContact CB-CG2 4.3Å; I255-V265 HydrophobicContact CD1-CG2 4.08Å; I255-V265 HydrophobicContact CG1-CG2 4.09Å; I255-L286 HydrophobicContact CG1-CD1 4.42Å; I255-L286 HydrophobicContact CG2-CD1 4.4Å; I255-F296 HydrophobicContact CD1-CD2 4.37Å; I255-F296 HydrophobicContact CD1-CE1 4.22Å; I255-F296 HydrophobicContact CD1-CE2 3.54Å; I255-F296 HydrophobicContact CD1-CZ 3.43Å; I255-F296 VanDerWaalsContact CD1-CZ 3.43Å
256A92.8Very high91.3Very high1 Ų124.5 Ų24.51%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-133.1138.8179.100000111.4T243 S245 F246 M258 K264 F266T243-A256 HydrophobicContact CG2-CB 3.98Å; S245-A256 WeakPolarHBondContact O-CA 3.44Å; F246-A256 HydrophobicContact CD2-CB 4.27Å; A256-M258 HydrophobicContact CB-CG 4.1Å; A256-K264 PolarHBondContact N-O 3.43Å; A256-K264 PolarHBondContact O-N 3.43Å; A256-F266 HydrophobicContact CB-CE2 4.4Å
257G93.2Very high91.1Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-89.2109.3171.700000110.3T243 A244 S245 Y262T243-G257 CarbonylContact C-O 3.49Å; T243-G257 WeakPolarHBondContact CA-O 3.48Å; A244-G257 PolarHBondContact N-O 3.17Å; S245-G257 PolarHBondContact O-N 3.03Å; G257-Y262 CarbonylContact C-O 3.57Å; G257-Y262 WeakPolarHBondContact CA-O 3.47Å
258M89.8Confident90.8Very high4 Ų427.2 Ų27.22%0.0215%0.15CC..EExtended strand (participates in β ladder)trans-118.9148.3-169.7-56-170.687.100112.5Q241 D242 T243 A256 G260 T261 Y262 K264 F266Q241-M258 HydrophobicContact CB-CE 4.09Å; D242-M258 CarbonylContact O-C 3.42Å; D242-M258 VanDerWaalsContact O-CA 3.29Å; D242-M258 WeakPolarHBondContact O-CA 3.32Å; T243-M258 HydrophobicContact CG2-CG 4.27Å; A256-M258 HydrophobicContact CB-CG 4.1Å; M258-G260 PolarHBondContact O-N 3.36Å; M258-T261 PolarHBondContact O-N 3.01Å; M258-T261 VanDerWaalsContact O-N 3.09Å; M258-Y262 PolarHBondContact N-O 2.81Å; M258-Y262 PolarHBondContact O-N 3.34Å; M258-K264 HydrophobicContact SD-CB 4.38Å; M258-K264 HydrophobicContact SD-CD 3.76Å; M258-K264 HydrophobicContact SD-CG 4.48Å; M258-F266 HydrophobicContact SD-CE2 4.01Å; M258-F266 HydrophobicContact SD-CZ 3.87Å
259S85.8Confident90.5Very high46 Ų4631.8 Ų31.832%0.32218%0.184SC..THydrogen-bonded Turntrans50.617.2177.976.50000116.4D242 T261 Y262D242-S259 PolarHBondContact O-N 3.39Å; S259-T261 PolarHBondContact O-N 2.81Å; S259-T261 PolarHBondContact OG-OG1 3.46Å; S259-T261 VanDerWaalsContact OG-OG1 3.06Å; S259-Y262 WeakPolarHBondContact OG-CD2 3.34Å
260G87.4Confident90.3Very high22 Ų2234.8 Ų34.823%0.22720%0.2CC..THydrogen-bonded Turntrans76.1-1.4-174.900000115.1M258M258-G260 PolarHBondContact O-N 3.36Å
261T91.9Very high89.7Confident59 Ų5935 Ų3536%0.36220%0.2SC..THydrogen-bonded Turntrans-141.8-5.4-16757.50000115.4M258 S259 T279 T280M258-T261 PolarHBondContact O-N 3.01Å; M258-T261 VanDerWaalsContact O-N 3.09Å; S259-T261 PolarHBondContact O-N 2.81Å; S259-T261 PolarHBondContact OG-OG1 3.46Å; S259-T261 VanDerWaalsContact OG-OG1 3.06Å; T261-T279 CarbonylContact O-C 3.52Å; T261-T279 WeakPolarHBondContact O-CA 3.48Å; T261-T280 CarbonylContact C-O 2.95Å; T261-T280 WeakPolarHBondContact CA-O 3.31Å; T261-T280 PolarHBondContact O-N 2.84Å
262Y92.6Very high89.4Confident80 Ų8034.1 Ų34.131%0.31421%0.21SC..EExtended strand (participates in β ladder)trans-130.8137.9-179.2-59.4-79.4000112.2G257 M258 S259 I277 T278 T279G257-Y262 CarbonylContact C-O 3.57Å; G257-Y262 WeakPolarHBondContact CA-O 3.47Å; M258-Y262 PolarHBondContact N-O 2.81Å; M258-Y262 PolarHBondContact O-N 3.34Å; S259-Y262 WeakPolarHBondContact OG-CD2 3.34Å; Y262-I277 HydrophobicContact CD1-CD1 3.74Å; Y262-I277 HydrophobicContact CD1-CG1 3.94Å; Y262-I277 HydrophobicContact CE1-CD1 4.23Å; Y262-I277 HydrophobicContact CG-CD1 4.27Å; Y262-T278 VanDerWaalsContact CA-O 3.31Å; Y262-T278 WeakPolarHBondContact CA-O 3.37Å; Y262-T279 HydrophobicContact CD1-CG2 3.77Å; Y262-T279 HydrophobicContact CE1-CG2 3.35Å
263L94.3Very high89.3Confident0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-99.1124.3157.4-64.2177000107.9I255 I277 T278 T280 V283 L286 F296 W307I255-L263 HydrophobicContact CD1-CB 4.27Å; L263-I277 WeakPolarHBondContact O-CA 3.2Å; L263-T278 HydrophobicContact CB-CG2 3.76Å; L263-T278 HydrophobicContact CD1-CG2 4.28Å; L263-T278 HydrophobicContact CG-CG2 4.4Å; L263-T278 PolarHBondContact N-O 3.1Å; L263-T278 PolarHBondContact O-N 3.41Å; L263-T280 HydrophobicContact CB-CG2 4.49Å; L263-T280 HydrophobicContact CD1-CG2 3.75Å; L263-T280 HydrophobicContact CG-CG2 3.64Å; L263-V283 HydrophobicContact CD2-CB 4.29Å; L263-V283 HydrophobicContact CD2-CG1 4.07Å; L263-V283 HydrophobicContact CG-CG1 4.35Å; L263-L286 HydrophobicContact CD2-CD1 3.83Å; L263-L286 HydrophobicContact CD2-CD2 3.83Å; L263-L286 HydrophobicContact CD2-CG 4.13Å; L263-F296 HydrophobicContact CD1-CE2 4.22Å; L263-W307 HydrophobicContact CD1-CD2 4.04Å; L263-W307 HydrophobicContact CD1-CE3 4.37Å; L263-W307 HydrophobicContact CD1-CH2 4.21Å; L263-W307 HydrophobicContact CD1-CZ2 3.84Å; L263-W307 HydrophobicContact CD1-CZ3 4.44Å
264K93.1Very high89.1Confident24 Ų2440.6 Ų40.610%0.10424%0.235CC..EExtended strand (participates in β ladder)trans-123.7131.8-178.5-67.2-176.6-171.8175.20110.6I255 A256 M258 F266 V274 Q276 I277I255-K264 WeakPolarHBondContact CA-O 3.43Å; A256-K264 PolarHBondContact N-O 3.43Å; A256-K264 PolarHBondContact O-N 3.43Å; M258-K264 HydrophobicContact SD-CB 4.38Å; M258-K264 HydrophobicContact SD-CD 3.76Å; M258-K264 HydrophobicContact SD-CG 4.48Å; K264-F266 HydrophobicContact CB-CD2 4.29Å; K264-F266 HydrophobicContact CB-CE2 3.45Å; K264-F266 VanDerWaalsContact CB-CE2 3.45Å; K264-F266 HydrophobicContact CB-CZ 3.81Å; K264-F266 HydrophobicContact CD-CZ 4.09Å; K264-V274 HydrophobicContact CB-CG1 4.06Å; K264-V274 HydrophobicContact CD-CG1 4.36Å; K264-V274 HydrophobicContact CD-CG2 4.11Å; K264-V274 HydrophobicContact CG-CG1 4.16Å; K264-Q276 WeakPolarHBondContact CA-O 2.96Å; K264-I277 HydrophobicContact CD-CD1 4.18Å; K264-I277 HydrophobicContact CG-CB 4.4Å; K264-I277 HydrophobicContact CG-CD1 3.99Å; K264-I277 HydrophobicContact CG-CG1 3.9Å
265V93Very high89Confident10 Ų1044 Ų446%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-100.4135.5175.1-179.20000109.1L249 F254 I255 C275 Q276 L309 L312L249-V265 HydrophobicContact CD1-CG1 3.91Å; L249-V265 HydrophobicContact CD1-CG2 4.35Å; F254-V265 WeakPolarHBondContact O-CA 3.46Å; I255-V265 HydrophobicContact CB-CG2 4.3Å; I255-V265 HydrophobicContact CD1-CG2 4.08Å; I255-V265 HydrophobicContact CG1-CG2 4.09Å; V265-C275 HydrophobicContact CB-CB 4.5Å; V265-C275 HydrophobicContact CG1-CB 4.32Å; V265-C275 WeakPolarHBondContact O-CB 3.23Å; V265-C275 PolarHBondContact O-N 2.93Å; V265-Q276 HydrophobicContact CB-CB 4.06Å; V265-Q276 HydrophobicContact CG2-CB 4.13Å; V265-Q276 PolarHBondContact N-O 3.15Å; V265-L309 HydrophobicContact CG2-CD1 3.97Å; V265-L312 HydrophobicContact CG2-CD2 3.57Å
266F91.5Very high88.9Confident15 Ų1547.7 Ų47.77%0.06628%0.276CS..EExtended strand (participates in β ladder)trans-128.7155.1-179.6-61.2-94000110.5L238 S253 F254 A256 M258 K264 V274L238-F266 HydrophobicContact CD2-CB 4.44Å; L238-F266 HydrophobicContact CD2-CD1 3.78Å; L238-F266 HydrophobicContact CD2-CE1 4.13Å; L238-F266 HydrophobicContact CD2-CG 4.08Å; S253-F266 VanDerWaalsContact CA-O 3.23Å; S253-F266 WeakPolarHBondContact CA-O 3.41Å; S253-F266 WeakPolarHBondContact CB-O 3.48Å; F254-F266 HydrophobicContact CD1-CB 4.37Å; F254-F266 HydrophobicContact CD2-CB 4.05Å; F254-F266 AromaticContact CD2-CD2 4Å; F254-F266 HydrophobicContact CD2-CD2 4Å; F254-F266 HydrophobicContact CD2-CG 4.43Å; F254-F266 HydrophobicContact CE1-CB 3.85Å; F254-F266 HydrophobicContact CE2-CB 3.52Å; F254-F266 AromaticContact CE2-CD2 3.46Å; F254-F266 HydrophobicContact CE2-CD2 3.46Å; F254-F266 VanDerWaalsContact CE2-CD2 3.46Å; F254-F266 HydrophobicContact CE2-CE2 4.36Å; F254-F266 AromaticContact CE2-CG 3.71Å; F254-F266 HydrophobicContact CE2-CG 3.71Å; F254-F266 HydrophobicContact CG-CB 4.48Å; F254-F266 HydrophobicContact CZ-CB 3.42Å; F254-F266 VanDerWaalsContact CZ-CB 3.42Å; F254-F266 HydrophobicContact CZ-CD2 4.17Å; F254-F266 AromaticContact CZ-CG 3.93Å; F254-F266 HydrophobicContact CZ-CG 3.93Å; F254-F266 PolarHBondContact N-O 3.48Å; F254-F266 PolarHBondContact O-N 3.42Å; A256-F266 HydrophobicContact CB-CE2 4.4Å; M258-F266 HydrophobicContact SD-CE2 4.01Å; M258-F266 HydrophobicContact SD-CZ 3.87Å; K264-F266 HydrophobicContact CB-CD2 4.29Å; K264-F266 HydrophobicContact CB-CE2 3.45Å; K264-F266 VanDerWaalsContact CB-CE2 3.45Å; K264-F266 HydrophobicContact CB-CZ 3.81Å; K264-F266 HydrophobicContact CD-CZ 4.09Å; F266-V274 HydrophobicContact CD1-CG2 4.36Å; F266-V274 HydrophobicContact CE1-CB 4.46Å; F266-V274 HydrophobicContact CE1-CG2 3.6Å; F266-V274 HydrophobicContact CZ-CG2 3.96Å
267D89.7Confident88.9Confident38 Ų3852.2 Ų52.220%0.20330%0.299CS..EExtended strand (participates in β ladder)trans-119.8136.4168.4-171.9-87.9000110.2S252 S269 D270S252-D267 WeakPolarHBondContact CB-OD2 3.43Å; S252-D267 CarbonylContact O-C 3.31Å; S252-D267 WeakPolarHBondContact O-CA 3.39Å; S252-D267 PolarHBondContact OG-OD2 3.18Å; D267-S269 PolarHBondContact O-N 2.96Å; D267-S269 WeakPolarHBondContact OD1-CB 3.39Å; D267-S269 PolarHBondContact OD1-N 3.4Å; D267-S269 PolarHBondContact OD1-OG 3.08Å; D267-D270 CarbonylContact O-C 3.59Å; D267-D270 PolarHBondContact O-N 3.28Å; D267-D270 VanDerWaalsContact O-N 3.17Å
268L87.6Confident89Confident36 Ų3652.7 Ų52.719%0.18830%0.301CS..THydrogen-bonded Turntrans-65.3-18.1-177.4-75-178.8000113.4L140 I158 W248 S252 F254 D270L140-L268 HydrophobicContact CD1-CD1 4.08Å; I158-L268 HydrophobicContact CD1-CD2 3.48Å; I158-L268 VanDerWaalsContact CD1-CD2 3.48Å; W248-L268 HydrophobicContact CH2-CD1 3.97Å; W248-L268 HydrophobicContact CH2-CD2 4.49Å; W248-L268 HydrophobicContact CZ3-CD1 3.92Å; W248-L268 HydrophobicContact CZ3-CG 4.32Å; S252-L268 WeakPolarHBondContact O-CB 3.49Å; S252-L268 VanDerWaalsContact O-CG 3.3Å; S252-L268 WeakPolarHBondContact O-CG 3.34Å; S252-L268 PolarHBondContact O-N 2.71Å; F254-L268 HydrophobicContact CD1-CD2 4.48Å; F254-L268 HydrophobicContact CE1-CD2 3.87Å; F254-L268 HydrophobicContact CE1-CG 4.32Å; L268-D270 VanDerWaalsContact C-N 3.25Å
269S86.7Confident89.2Confident106 Ų10657.6 Ų57.674%0.74133%0.332SS*.THydrogen-bonded Turntrans-69.2-29.8176.4-44.40000111.3D267D267-S269 PolarHBondContact O-N 2.96Å; D267-S269 WeakPolarHBondContact OD1-CB 3.39Å; D267-S269 PolarHBondContact OD1-N 3.4Å; D267-S269 PolarHBondContact OD1-OG 3.08Å
270D85.6Confident89.7Confident72 Ų7256.5 Ų56.539%0.38532%0.323SS..SBendtrans-145.679.6172.6-176.94.6000109.7D267 L268 S272 K273D267-D270 CarbonylContact O-C 3.59Å; D267-D270 PolarHBondContact O-N 3.28Å; D267-D270 VanDerWaalsContact O-N 3.17Å; L268-D270 VanDerWaalsContact C-N 3.25Å; D270-S272 PolarHBondContact O-N 2.81Å; D270-S272 VanDerWaalsContact O-N 3.12Å; D270-S272 PolarHBondContact OD1-N 3.22Å; D270-S272 PolarHBondContact OD1-OG 3.47Å; D270-K273 HydrophobicContact CB-CB 4.36Å; D270-K273 PolarHBondContact O-N 2.91Å; D270-K273 VanDerWaalsContact O-N 3.09Å; D270-K273 VanDerWaalsContact OD2-CB 3.31Å; D270-K273 WeakPolarHBondContact OD2-CB 3.26Å
271P76.4Confident90Very high39 Ų3962 Ų6225%0.25334%0.337SS..THydrogen-bonded Turntrans-66.3-16.3-175.227.3-34.4000112.8C236 L238 K273C236-P271 WeakPolarHBondContact SG-CB 3.3Å; C236-P271 WeakPolarHBondContact SG-CG 3.29Å; L238-P271 HydrophobicContact CD1-CB 4.46Å; L238-P271 HydrophobicContact CD2-CB 3.77Å; L238-P271 WeakPolarHBondContact CD2-O 3.26Å; L238-P271 HydrophobicContact CG-CB 4.07Å; P271-K273 PolarHBondContact O-N 3.44Å
272S79Confident90.1Very high107 Ų10759.2 Ų59.275%0.74832%0.32SS*.THydrogen-bonded Turntrans-73.5-20.1177.376.60000112.7D270D270-S272 PolarHBondContact O-N 2.81Å; D270-S272 VanDerWaalsContact O-N 3.12Å; D270-S272 PolarHBondContact OD1-N 3.22Å; D270-S272 PolarHBondContact OD1-OG 3.47Å
273K86.1Confident90.2Very high135 Ų13555.4 Ų55.459%0.58731%0.305SS*.SBendtrans-102.7123.9-175.4-174.5-179.8179.4-177.70111.5D270 P271 C275D270-K273 HydrophobicContact CB-CB 4.36Å; D270-K273 PolarHBondContact O-N 2.91Å; D270-K273 VanDerWaalsContact O-N 3.09Å; D270-K273 VanDerWaalsContact OD2-CB 3.31Å; D270-K273 WeakPolarHBondContact OD2-CB 3.26Å; P271-K273 PolarHBondContact O-N 3.44Å; K273-C275 PolarHBondContact O-N 3.04Å
274V88.5Confident90.1Very high57 Ų5759.1 Ų59.135%0.34532%0.32SS..EExtended strand (participates in β ladder)trans-75.6121.4170.7-177.50000108.8K264 F266 Q276 I277K264-V274 HydrophobicContact CB-CG1 4.06Å; K264-V274 HydrophobicContact CD-CG1 4.36Å; K264-V274 HydrophobicContact CD-CG2 4.11Å; K264-V274 HydrophobicContact CG-CG1 4.16Å; F266-V274 HydrophobicContact CD1-CG2 4.36Å; F266-V274 HydrophobicContact CE1-CB 4.46Å; F266-V274 HydrophobicContact CE1-CG2 3.6Å; F266-V274 HydrophobicContact CZ-CG2 3.96Å; V274-Q276 VanDerWaalsContact CG1-O 3.23Å; V274-Q276 WeakPolarHBondContact CG1-O 3.35Å; V274-I277 HydrophobicContact CG1-CB 4.11Å
275C90.5Very high90.1Very high72 Ų7259.5 Ų59.549%0.48633%0.33SS..EExtended strand (participates in β ladder)trans-77.5-44179.8-58.10000112.3V265 K273V265-C275 HydrophobicContact CB-CB 4.5Å; V265-C275 HydrophobicContact CG1-CB 4.32Å; V265-C275 WeakPolarHBondContact O-CB 3.23Å; V265-C275 PolarHBondContact O-N 2.93Å; K273-C275 PolarHBondContact O-N 3.04Å
276Q92Very high90.1Very high79 Ų7959.7 Ų59.737%0.36933%0.331SS..EExtended strand (participates in β ladder)trans-143.6148.8177-61.8-178.4-2.100109.4K264 V265 V274 L309 L312K264-Q276 WeakPolarHBondContact CA-O 2.96Å; V265-Q276 HydrophobicContact CB-CB 4.06Å; V265-Q276 HydrophobicContact CG2-CB 4.13Å; V265-Q276 PolarHBondContact N-O 3.15Å; V274-Q276 VanDerWaalsContact CG1-O 3.23Å; V274-Q276 WeakPolarHBondContact CG1-O 3.35Å; Q276-L309 PolarHBondContact OE1-O 3.2Å; Q276-L312 HydrophobicContact CB-CD2 3.93Å
277I92.9Very high90.3Very high95 Ų9560.5 Ų60.549%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-141.7139178.9-175.1167.9000109.9Y262 L263 K264 V274Y262-I277 HydrophobicContact CD1-CD1 3.74Å; Y262-I277 HydrophobicContact CD1-CG1 3.94Å; Y262-I277 HydrophobicContact CE1-CD1 4.23Å; Y262-I277 HydrophobicContact CG-CD1 4.27Å; L263-I277 WeakPolarHBondContact O-CA 3.2Å; K264-I277 HydrophobicContact CD-CD1 4.18Å; K264-I277 HydrophobicContact CG-CB 4.4Å; K264-I277 HydrophobicContact CG-CD1 3.99Å; K264-I277 HydrophobicContact CG-CG1 3.9Å; V274-I277 HydrophobicContact CG1-CB 4.11Å
278T94.9Very high90.5Very high10 Ų1060 Ų606%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-135.2146.7167.8-174.60000110.9Y262 L263 T280 W307 L312 E313Y262-T278 VanDerWaalsContact CA-O 3.31Å; Y262-T278 WeakPolarHBondContact CA-O 3.37Å; L263-T278 HydrophobicContact CB-CG2 3.76Å; L263-T278 HydrophobicContact CD1-CG2 4.28Å; L263-T278 HydrophobicContact CG-CG2 4.4Å; L263-T278 PolarHBondContact N-O 3.1Å; L263-T278 PolarHBondContact O-N 3.41Å; T278-T280 HydrophobicContact CG2-CG2 4.48Å; T278-W307 HydrophobicContact CG2-CZ3 4.08Å; T278-L312 WeakPolarHBondContact CB-O 3.12Å; T278-L312 HydrophobicContact CG2-CD1 3.86Å; T278-L312 HydrophobicContact CG2-CD2 4.45Å; T278-L312 HydrophobicContact CG2-CG 3.77Å; T278-L312 WeakPolarHBondContact CG2-O 3.48Å; T278-L312 PolarHBondContact OG1-O 3.43Å; T278-E313 PolarHBondContact OG1-O 2.85Å; T278-E313 VanDerWaalsContact OG1-O 3.07Å
279T94.9Very high90.7Very high107 Ų10758.3 Ų58.366%0.65633%0.327SS*.EExtended strand (participates in β ladder)trans-90114.8176.946.70000110.3T261 Y262T261-T279 CarbonylContact O-C 3.52Å; T261-T279 WeakPolarHBondContact O-CA 3.48Å; Y262-T279 HydrophobicContact CD1-CG2 3.77Å; Y262-T279 HydrophobicContact CE1-CG2 3.35Å
280T94.5Very high90.8Very high23 Ų2357.2 Ų57.214%0.14132%0.317CS..  trans-158148.6177.6-178.30000111.2T261 L263 T278 A282 V283 W307T261-T280 CarbonylContact C-O 2.95Å; T261-T280 WeakPolarHBondContact CA-O 3.31Å; T261-T280 PolarHBondContact O-N 2.84Å; L263-T280 HydrophobicContact CB-CG2 4.49Å; L263-T280 HydrophobicContact CD1-CG2 3.75Å; L263-T280 HydrophobicContact CG-CG2 3.64Å; T278-T280 HydrophobicContact CG2-CG2 4.48Å; T280-A282 PolarHBondContact OG1-N 2.79Å; T280-A282 VanDerWaalsContact OG1-N 3.16Å; T280-V283 HydrophobicContact CG2-CG1 4.23Å; T280-V283 VanDerWaalsContact O-CG1 3.25Å; T280-V283 WeakPolarHBondContact O-CG1 3.35Å; T280-W307 HydrophobicContact CG2-CH2 3.62Å; T280-W307 HydrophobicContact CG2-CZ2 3.78Å
281R93.8Very high90.9Very high139 Ų13957.6 Ų57.653%0.52532%0.319SS..SBendtrans-78.6-22.3171-67.2-17465.3-154.6-7.3112.6V283 C300 E301R281-V283 PolarHBondContact O-N 3.27Å; R281-C300 HydrophobicContact CB-CB 4.37Å; R281-C300 WeakPolarHBondContact O-CB 3.4Å; R281-E301 IonicContact CZ-OE1 3.73Å; R281-E301 IonicContact NH1-OE1 3.92Å; R281-E301 IonicContact NH2-OE1 2.73Å; R281-E301 PolarHBondContact NH2-OE1 2.95Å
282A94.6Very high91.4Very high0 Ų057.4 Ų57.40%032%0.318CS..  trans-7473.4179.700000110.9T280 S298 F299 C300 W307T280-A282 PolarHBondContact OG1-N 2.79Å; T280-A282 VanDerWaalsContact OG1-N 3.16Å; A282-S298 WeakPolarHBondContact O-CB 3.38Å; A282-S298 PolarHBondContact O-OG 3.42Å; A282-F299 CarbonylContact C-O 3.56Å; A282-F299 WeakPolarHBondContact CA-O 3.21Å; A282-C300 HydrophobicContact CB-CB 4.49Å; A282-W307 HydrophobicContact CB-CZ2 4.31Å
283V93.8Very high91.6Very high0 Ų055.3 Ų55.30%030%0.303CS..  trans-1164-175.6-58.90000113.5A244 S245 L263 T280 R281 F299A244-V283 HydrophobicContact CB-CG2 4.4Å; S245-V283 PolarHBondContact OG-O 3.35Å; L263-V283 HydrophobicContact CD2-CB 4.29Å; L263-V283 HydrophobicContact CD2-CG1 4.07Å; L263-V283 HydrophobicContact CG-CG1 4.35Å; T280-V283 HydrophobicContact CG2-CG1 4.23Å; T280-V283 VanDerWaalsContact O-CG1 3.25Å; T280-V283 WeakPolarHBondContact O-CG1 3.35Å; R281-V283 PolarHBondContact O-N 3.27Å; V283-F299 PolarHBondContact N-O 2.93Å
284Y93.4Very high91.6Very high78 Ų7854.4 Ų54.431%0.30630%0.299SS..EExtended strand (participates in β ladder)trans-98.8152.5-179.7-56.1-84.9000110.9Y3 A244 L286 S298 F299 C300Y3-Y284 HydrophobicContact CD2-CD1 4.17Å; Y3-Y284 HydrophobicContact CE2-CD1 4.11Å; Y3-Y284 HydrophobicContact CE2-CG 4.18Å; A244-Y284 HydrophobicContact CB-CD1 3.69Å; A244-Y284 HydrophobicContact CB-CE1 3.61Å; Y284-L286 VanDerWaalsContact C-N 3.31Å; Y284-L286 PolarHBondContact O-N 2.71Å; Y284-S298 WeakPolarHBondContact O-CA 3.46Å; Y284-S298 WeakPolarHBondContact O-CB 3.48Å; Y284-F299 WeakPolarHBondContact CB-O 3.47Å; Y284-F299 WeakPolarHBondContact CD2-O 3.43Å; Y284-F299 PolarHBondContact N-O 2.78Å; Y284-F299 WeakPolarHBondContact O-CD1 3.41Å; Y284-F299 PolarHBondContact O-N 2.83Å; Y284-C300 HydrophobicContact CD2-CB 4.18Å; Y284-C300 HydrophobicContact CE2-CB 4.49Å
285G92Very high91.8Very high32 Ų3252.4 Ų52.433%0.3329%0.286SS..EExtended strand (participates in β ladder)trans58.234.9174.400000115.5T287 I328G285-T287 PolarHBondContact O-N 2.87Å; G285-T287 VanDerWaalsContact O-N 3.13Å; G285-I328 WeakPolarHBondContact O-CD1 3.35Å; G285-I328 WeakPolarHBondContact O-CG1 3.44Å
286L94.7Very high92Very high14 Ų1449 Ų497%0.07326%0.262CS..EExtended strand (participates in β ladder)trans-51.1120.3175.3-82.7168.6000111.1S245 A247 I255 L263 Y284 F296 A297S245-L286 WeakPolarHBondContact OG-CB 3.34Å; S245-L286 VanDerWaalsContact OG-CD1 3.27Å; S245-L286 WeakPolarHBondContact OG-CD1 3.18Å; S245-L286 WeakPolarHBondContact OG-CG 3.46Å; S245-L286 PolarHBondContact OG-N 3.43Å; A247-L286 HydrophobicContact CB-CB 4.36Å; I255-L286 HydrophobicContact CG1-CD1 4.42Å; I255-L286 HydrophobicContact CG2-CD1 4.4Å; L263-L286 HydrophobicContact CD2-CD1 3.83Å; L263-L286 HydrophobicContact CD2-CD2 3.83Å; L263-L286 HydrophobicContact CD2-CG 4.13Å; Y284-L286 VanDerWaalsContact C-N 3.31Å; Y284-L286 PolarHBondContact O-N 2.71Å; L286-F296 HydrophobicContact CD2-CD2 3.9Å; L286-F296 HydrophobicContact CD2-CE2 4.08Å; L286-A297 WeakPolarHBondContact CA-O 3.28Å
287T94.2Very high92.3Very high32 Ų3245.2 Ų45.220%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-140.4134.5176-175.90000110.3G285 F296 A297 I328 W330G285-T287 PolarHBondContact O-N 2.87Å; G285-T287 VanDerWaalsContact O-N 3.13Å; T287-F296 CarbonylContact O-C 3.56Å; T287-F296 VanDerWaalsContact O-CA 3.26Å; T287-F296 WeakPolarHBondContact O-CA 3.29Å; T287-F296 VanDerWaalsContact O-CB 3.29Å; T287-F296 WeakPolarHBondContact O-CB 3.41Å; T287-A297 HydrophobicContact CG2-CB 4.42Å; T287-A297 PolarHBondContact N-O 2.91Å; T287-A297 PolarHBondContact O-N 2.9Å; T287-I328 HydrophobicContact CG2-CD1 3.94Å; T287-I328 HydrophobicContact CG2-CG1 3.83Å; T287-W330 PolarHBondContact O-NE1 3.41Å
288V93.8Very high92.5Very high27 Ų2740.7 Ų40.716%0.16422%0.222CC..EExtended strand (participates in β ladder)trans-95.8142.1179.4178.50000109.1A247 L249 P290 F296 W330A247-V288 HydrophobicContact CB-CG2 3.71Å; L249-V288 HydrophobicContact CD2-CG2 3.94Å; V288-P290 WeakPolarHBondContact O-CD 3.44Å; V288-F296 HydrophobicContact CB-CB 4.45Å; V288-F296 HydrophobicContact CG2-CB 4.02Å; V288-W330 VanDerWaalsContact O-CD1 3.24Å
289D93.1Very high92.5Very high1 Ų140.5 Ų40.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-67.4116.7173.6-177.4-18.2000108.7L291 C292 R295 W330 A336D289-L291 PolarHBondContact O-N 3.38Å; D289-L291 VanDerWaalsContact O-N 3.13Å; D289-L291 PolarHBondContact OD1-N 2.95Å; D289-C292 HydrophobicContact CB-CB 4.43Å; D289-C292 CarbonylContact O-C 3.16Å; D289-C292 PolarHBondContact O-N 2.96Å; D289-R295 HydrophobicContact CB-CB 3.94Å; D289-R295 HydrophobicContact CB-CG 4.04Å; D289-R295 PolarHBondContact N-O 2.96Å; D289-R295 WeakPolarHBondContact OD2-CD 3.47Å; D289-R295 IonicContact OD2-CZ 3.83Å; D289-R295 IonicContact OD2-NE 2.76Å; D289-R295 IonicContact OD2-NH1 2.65Å; D289-R295 PolarHBondContact OD2-NH1 3.41Å; D289-W330 HydrophobicContact CB-CD2 4Å; D289-W330 HydrophobicContact CB-CE3 4.41Å; D289-W330 HydrophobicContact CB-CG 4.12Å; D289-A336 PolarHBondContact OD2-N 3.15Å
290P88.4Confident92.5Very high83 Ų8335.8 Ų35.854%0.53919%0.191SC..THydrogen-bonded Turntrans-63.1-20.4-177.425.7-33.5000113.1V288 S331V288-P290 WeakPolarHBondContact O-CD 3.44Å; P290-S331 WeakPolarHBondContact CG-O 3.25Å
291L87.1Confident92.5Very high80 Ų8039 Ų3942%0.41921%0.205SC..THydrogen-bonded Turntrans-96.8-7.9178.7-60.7173.5000112.7D289 E335D289-L291 PolarHBondContact O-N 3.38Å; D289-L291 VanDerWaalsContact O-N 3.13Å; D289-L291 PolarHBondContact OD1-N 2.95Å; L291-E335 HydrophobicContact CB-CB 4.16Å; L291-E335 HydrophobicContact CB-CG 4.25Å; L291-E335 HydrophobicContact CD1-CB 4.06Å; L291-E335 VanDerWaalsContact CD1-N 3.3Å
292C87.5Confident92.5Very high34 Ų3437.7 Ų37.723%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-15196.7175.7-175.60000111.6D289 K294 R295D289-C292 HydrophobicContact CB-CB 4.43Å; D289-C292 CarbonylContact O-C 3.16Å; D289-C292 PolarHBondContact O-N 2.96Å; C292-K294 PolarHBondContact O-N 2.94Å; C292-R295 HydrophobicContact CB-CB 4.23Å; C292-R295 WeakPolarHBondContact O-CB 3.44Å; C292-R295 PolarHBondContact O-N 3.49Å
293S82.9Confident92.5Very high64 Ų6440.7 Ų40.745%0.44821%0.213SC..EExtended strand (participates in β ladder)trans-62.8-14.3-174.661.30000115.5
294K86.6Confident92.6Very high115 Ų11540.7 Ų40.750%0.521%0.213SC..EExtended strand (participates in β ladder)trans-82.2-15.8175-65.2-174.4178-174.70113C292 R308 L309C292-K294 PolarHBondContact O-N 2.94Å; K294-R308 CarbonylContact O-C 3.58Å; K294-R308 WeakPolarHBondContact O-CA 3.5Å; K294-L309 PolarHBondContact O-N 2.86Å
295R92.7Very high92.7Very high16 Ų1637 Ų376%0.0620%0.199CC..EExtended strand (participates in β ladder)trans-101.3129.6-175.6179.5-178.5-58.6121-1.4109.7D289 C292 W330 E335 F357D289-R295 HydrophobicContact CB-CB 3.94Å; D289-R295 HydrophobicContact CB-CG 4.04Å; D289-R295 PolarHBondContact N-O 2.96Å; D289-R295 WeakPolarHBondContact OD2-CD 3.47Å; D289-R295 IonicContact OD2-CZ 3.83Å; D289-R295 IonicContact OD2-NE 2.76Å; D289-R295 IonicContact OD2-NH1 2.65Å; D289-R295 PolarHBondContact OD2-NH1 3.41Å; C292-R295 HydrophobicContact CB-CB 4.23Å; C292-R295 WeakPolarHBondContact O-CB 3.44Å; C292-R295 PolarHBondContact O-N 3.49Å; R295-W330 HydrophobicContact CG-CH2 4.17Å; R295-W330 HydrophobicContact CG-CZ2 4.05Å; R295-E335 IonicContact CZ-OE1 3.9Å; R295-E335 VanDerWaalsContact NH1-CG 3.27Å; R295-E335 IonicContact NH1-OE1 2.69Å; R295-E335 PolarHBondContact NH1-OE1 3.06Å; R295-E335 IonicContact NH2-OE1 2.81Å; R295-E335 PolarHBondContact NH2-OE1 3.26Å; R295-F357 HydrophobicContact CB-CE1 4.5Å; R295-F357 HydrophobicContact CB-CZ 4.49Å; R295-F357 HydrophobicContact CG-CD1 4.36Å; R295-F357 HydrophobicContact CG-CD2 4.27Å; R295-F357 HydrophobicContact CG-CE1 3.72Å; R295-F357 HydrophobicContact CG-CE2 3.62Å; R295-F357 HydrophobicContact CG-CZ 3.31Å
296F95Very high92.8Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-148.5164.6173.564.9-86.5000111.6I255 L263 L286 T287 V288 W307 L309 L312I255-F296 HydrophobicContact CD1-CD2 4.37Å; I255-F296 HydrophobicContact CD1-CE1 4.22Å; I255-F296 HydrophobicContact CD1-CE2 3.54Å; I255-F296 HydrophobicContact CD1-CZ 3.43Å; I255-F296 VanDerWaalsContact CD1-CZ 3.43Å; L263-F296 HydrophobicContact CD1-CE2 4.22Å; L286-F296 HydrophobicContact CD2-CD2 3.9Å; L286-F296 HydrophobicContact CD2-CE2 4.08Å; T287-F296 CarbonylContact O-C 3.56Å; T287-F296 VanDerWaalsContact O-CA 3.26Å; T287-F296 WeakPolarHBondContact O-CA 3.29Å; T287-F296 VanDerWaalsContact O-CB 3.29Å; T287-F296 WeakPolarHBondContact O-CB 3.41Å; V288-F296 HydrophobicContact CB-CB 4.45Å; V288-F296 HydrophobicContact CG2-CB 4.02Å; F296-W307 HydrophobicContact CD1-CB 3.94Å; F296-W307 HydrophobicContact CD2-CB 3.65Å; F296-W307 AromaticContact CD2-CD1 3.72Å; F296-W307 AromaticContact CD2-CG 3.88Å; F296-W307 HydrophobicContact CD2-CG 3.88Å; F296-W307 HydrophobicContact CE1-CB 3.57Å; F296-W307 HydrophobicContact CE2-CB 3.24Å; F296-W307 AromaticContact CE2-CD1 3.54Å; F296-W307 HydrophobicContact CE2-CD2 4.2Å; F296-W307 AromaticContact CE2-CG 3.37Å; F296-W307 HydrophobicContact CE2-CG 3.37Å; F296-W307 HydrophobicContact CG-CB 3.98Å; F296-W307 HydrophobicContact CZ-CB 3.22Å; F296-W307 AromaticContact CZ-CG 3.78Å; F296-W307 HydrophobicContact CZ-CG 3.78Å; F296-W307 PolarHBondContact N-O 2.85Å; F296-W307 VanDerWaalsContact N-O 3.15Å; F296-W307 PolarHBondContact O-N 3.17Å; F296-L309 HydrophobicContact CE1-CB 4.28Å; F296-L309 HydrophobicContact CE1-CD1 4.39Å; F296-L312 HydrophobicContact CE1-CD1 4.35Å; F296-L312 HydrophobicContact CE2-CD1 4.48Å; F296-L312 HydrophobicContact CZ-CD1 3.57Å
297A96.7Very high92.8Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-131.3153.9179.400000110.6L286 T287 S305 L306 I328 W330 L338L286-A297 WeakPolarHBondContact CA-O 3.28Å; T287-A297 HydrophobicContact CG2-CB 4.42Å; T287-A297 PolarHBondContact N-O 2.91Å; T287-A297 PolarHBondContact O-N 2.9Å; A297-S305 WeakPolarHBondContact CA-O 3.37Å; A297-L306 HydrophobicContact CB-CD2 3.82Å; A297-I328 HydrophobicContact CB-CD1 3.77Å; A297-W330 HydrophobicContact CB-CZ2 3.68Å; A297-L338 HydrophobicContact CB-CD1 4.37Å; A297-L338 HydrophobicContact CB-CD2 4.19Å
298S97.2Very high92.7Very high0 Ų037.8 Ų37.80%019%0.188CC..EExtended strand (participates in β ladder)trans-149.6167.4171.2630000109.7A282 Y284 S305 W307A282-S298 WeakPolarHBondContact O-CB 3.38Å; A282-S298 PolarHBondContact O-OG 3.42Å; Y284-S298 WeakPolarHBondContact O-CA 3.46Å; Y284-S298 WeakPolarHBondContact O-CB 3.48Å; S298-S305 PolarHBondContact N-O 3.27Å; S298-S305 PolarHBondContact O-N 2.75Å; S298-W307 PolarHBondContact OG-NE1 3.21Å
299F96Very high92.5Very high5 Ų538.2 Ų38.22%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-141.5168.5179.870.3-94.7000112.8Y3 A282 V283 Y284 Q303 I304 V325 I328Y3-F299 HydrophobicContact CE1-CE2 4.01Å; Y3-F299 HydrophobicContact CE1-CZ 4.37Å; Y3-F299 HydrophobicContact CE2-CE2 4.09Å; Y3-F299 AromaticContact CZ-CE2 3.67Å; A282-F299 CarbonylContact C-O 3.56Å; A282-F299 WeakPolarHBondContact CA-O 3.21Å; V283-F299 PolarHBondContact N-O 2.93Å; Y284-F299 WeakPolarHBondContact CB-O 3.47Å; Y284-F299 WeakPolarHBondContact CD2-O 3.43Å; Y284-F299 PolarHBondContact N-O 2.78Å; Y284-F299 WeakPolarHBondContact O-CD1 3.41Å; Y284-F299 PolarHBondContact O-N 2.83Å; F299-Q303 CarbonylContact C-O 3.48Å; F299-Q303 WeakPolarHBondContact CA-O 3.27Å; F299-Q303 WeakPolarHBondContact CB-O 3.31Å; F299-I304 HydrophobicContact CB-CG1 4.1Å; F299-V325 HydrophobicContact CB-CB 4.36Å; F299-V325 HydrophobicContact CB-CG1 4.27Å; F299-V325 HydrophobicContact CD1-CG1 3.85Å; F299-V325 HydrophobicContact CD2-CB 3.64Å; F299-V325 HydrophobicContact CD2-CG1 3.82Å; F299-V325 HydrophobicContact CE1-CG1 4.01Å; F299-V325 HydrophobicContact CE2-CB 3.96Å; F299-V325 HydrophobicContact CE2-CG1 4.01Å; F299-V325 WeakPolarHBondContact CE2-O 3.48Å; F299-V325 HydrophobicContact CG-CB 3.97Å; F299-V325 HydrophobicContact CG-CG1 3.73Å; F299-V325 HydrophobicContact CZ-CG1 4.11Å; F299-I328 HydrophobicContact CD1-CD1 3.85Å; F299-I328 HydrophobicContact CD1-CG1 3.86Å; F299-I328 HydrophobicContact CD1-CG2 4.14Å; F299-I328 HydrophobicContact CE1-CG1 4.18Å
300C94.7Very high92.3Very high8 Ų842.3 Ų42.35%0.05421%0.21CC..EExtended strand (participates in β ladder)trans-151.9125.4167175.30000108.9R281 A282 Y284 R302 Q303R281-C300 HydrophobicContact CB-CB 4.37Å; R281-C300 WeakPolarHBondContact O-CB 3.4Å; A282-C300 HydrophobicContact CB-CB 4.49Å; Y284-C300 HydrophobicContact CD2-CB 4.18Å; Y284-C300 HydrophobicContact CE2-CB 4.49Å; C300-R302 PolarHBondContact O-N 3.21Å; C300-Q303 PolarHBondContact N-O 3.06Å; C300-Q303 WeakPolarHBondContact O-CB 2.99Å; C300-Q303 PolarHBondContact O-N 2.89Å
301E93.8Very high92.2Very high91 Ų9140.6 Ų40.643%0.42520%0.197SC..THydrogen-bonded Turntrans52.3-114.4-175.6-60.2165.3-162.100109.4R281 V325R281-E301 IonicContact CZ-OE1 3.73Å; R281-E301 IonicContact NH1-OE1 3.92Å; R281-E301 IonicContact NH2-OE1 2.73Å; R281-E301 PolarHBondContact NH2-OE1 2.95Å; E301-V325 WeakPolarHBondContact O-CB 3.36Å; E301-V325 PolarHBondContact O-N 3.13Å
302R94.6Very high92.4Very high112 Ų11237.2 Ų37.242%0.42318%0.179SC..THydrogen-bonded Turntrans-94.7-6.9179.4-45.4-173-65.1148.33.8113.9C300 M320 E321 G323 D324C300-R302 PolarHBondContact O-N 3.21Å; R302-M320 HydrophobicContact CB-CE 3.94Å; R302-M320 WeakPolarHBondContact O-CA 3.26Å; R302-E321 PolarHBondContact O-N 2.72Å; R302-G323 WeakPolarHBondContact CG-O 3.49Å; R302-D324 VanDerWaalsContact CG-OD1 3.26Å; R302-D324 WeakPolarHBondContact CG-OD1 3.36Å
303Q94.8Very high92.4Very high62 Ų6243.4 Ų43.429%0.2921%0.205SC..EExtended strand (participates in β ladder)trans-90126.8-174.2-175-176.7-15.900110.6F299 C300 T318 M320F299-Q303 CarbonylContact C-O 3.48Å; F299-Q303 WeakPolarHBondContact CA-O 3.27Å; F299-Q303 WeakPolarHBondContact CB-O 3.31Å; C300-Q303 PolarHBondContact N-O 3.06Å; C300-Q303 WeakPolarHBondContact O-CB 2.99Å; C300-Q303 PolarHBondContact O-N 2.89Å; Q303-T318 HydrophobicContact CG-CG2 3.44Å; Q303-T318 VanDerWaalsContact CG-CG2 3.44Å; Q303-T318 VanDerWaalsContact NE2-CG2 3.26Å; Q303-M320 VanDerWaalsContact CA-SD 3.54Å; Q303-M320 HydrophobicContact CB-CE 4.46Å; Q303-M320 HydrophobicContact CB-SD 3.52Å; Q303-M320 VanDerWaalsContact CB-SD 3.52Å; Q303-M320 HydrophobicContact CG-SD 3.86Å
304I95.5Very high92.7Very high0 Ų045.1 Ų45.10%020%0.204CC..EExtended strand (participates in β ladder)trans-113.7128.9172.9-58.8168.6000108.3F299 T318 F319 E321 V325 L338 V340F299-I304 HydrophobicContact CB-CG1 4.1Å; I304-T318 CarbonylContact O-C 3.45Å; I304-T318 VanDerWaalsContact O-CA 3.26Å; I304-T318 WeakPolarHBondContact O-CA 3.08Å; I304-F319 HydrophobicContact CB-CD1 4.45Å; I304-F319 HydrophobicContact CB-CD2 4.38Å; I304-F319 HydrophobicContact CB-CE1 4.09Å; I304-F319 HydrophobicContact CB-CE2 4.03Å; I304-F319 HydrophobicContact CB-CZ 3.87Å; I304-F319 HydrophobicContact CD1-CD2 4.34Å; I304-F319 HydrophobicContact CD1-CE2 3.59Å; I304-F319 HydrophobicContact CD1-CZ 3.94Å; I304-F319 HydrophobicContact CG1-CE2 4.35Å; I304-F319 HydrophobicContact CG2-CE1 3.88Å; I304-F319 HydrophobicContact CG2-CE2 4.36Å; I304-F319 HydrophobicContact CG2-CZ 3.72Å; I304-F319 PolarHBondContact N-O 2.79Å; I304-F319 PolarHBondContact O-N 2.71Å; I304-E321 HydrophobicContact CD1-CG 3.76Å; I304-V325 HydrophobicContact CD1-CG2 3.8Å; I304-V325 HydrophobicContact CG1-CG2 3.74Å; I304-L338 HydrophobicContact CG2-CD2 4.2Å; I304-V340 HydrophobicContact CD1-CB 4.36Å; I304-V340 HydrophobicContact CD1-CG1 3.57Å; I304-V340 HydrophobicContact CD1-CG2 3.82Å
305S95.4Very high92.9Very high0 Ų041.7 Ų41.70%019%0.193CC..EExtended strand (participates in β ladder)trans-119.1133.9179.1-69.50000110.7A297 S298 W307 T318A297-S305 WeakPolarHBondContact CA-O 3.37Å; S298-S305 PolarHBondContact N-O 3.27Å; S298-S305 PolarHBondContact O-N 2.75Å; S305-W307 VanDerWaalsContact O-CD1 3.26Å; S305-W307 PolarHBondContact O-NE1 2.62Å; S305-T318 PolarHBondContact OG-OG1 3.22Å
306L94.8Very high92.7Very high0 Ų042.7 Ų42.70%020%0.201CC..EExtended strand (participates in β ladder)trans-103.1135.1176.9-61-173.5000109.3A297 P315 V316 Y317 F319 W330 L338 T353 M356 F357A297-L306 HydrophobicContact CB-CD2 3.82Å; L306-P315 CarbonylContact O-C 3.38Å; L306-P315 VanDerWaalsContact O-CA 3.29Å; L306-P315 WeakPolarHBondContact O-CA 3.41Å; L306-P315 WeakPolarHBondContact O-CB 3.3Å; L306-V316 PolarHBondContact O-N 2.85Å; L306-Y317 PolarHBondContact N-O 3.09Å; L306-F319 HydrophobicContact CD1-CE1 4.44Å; L306-F319 HydrophobicContact CG-CE1 4.37Å; L306-W330 HydrophobicContact CD2-CH2 4.08Å; L306-W330 HydrophobicContact CD2-CZ2 4.24Å; L306-L338 HydrophobicContact CD2-CD2 4.12Å; L306-T353 HydrophobicContact CD1-CG2 3.78Å; L306-T353 HydrophobicContact CD2-CG2 4.47Å; L306-M356 HydrophobicContact CD1-CB 4.3Å; L306-M356 HydrophobicContact CD1-CE 3.61Å; L306-M356 HydrophobicContact CD1-SD 3.8Å; L306-F357 HydrophobicContact CB-CE1 4.39Å; L306-F357 HydrophobicContact CB-CE2 4.32Å; L306-F357 HydrophobicContact CB-CZ 3.7Å; L306-F357 HydrophobicContact CD1-CE2 3.91Å; L306-F357 HydrophobicContact CD1-CZ 4.15Å; L306-F357 HydrophobicContact CG-CZ 4.35Å
307W95Very high92.5Very high1 Ų145.6 Ų45.60%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-131.3153.1-169.6-53.389.7000111.8L263 T278 T280 A282 F296 S298 S305 L312 P315L263-W307 HydrophobicContact CD1-CD2 4.04Å; L263-W307 HydrophobicContact CD1-CE3 4.37Å; L263-W307 HydrophobicContact CD1-CH2 4.21Å; L263-W307 HydrophobicContact CD1-CZ2 3.84Å; L263-W307 HydrophobicContact CD1-CZ3 4.44Å; T278-W307 HydrophobicContact CG2-CZ3 4.08Å; T280-W307 HydrophobicContact CG2-CH2 3.62Å; T280-W307 HydrophobicContact CG2-CZ2 3.78Å; A282-W307 HydrophobicContact CB-CZ2 4.31Å; F296-W307 HydrophobicContact CD1-CB 3.94Å; F296-W307 HydrophobicContact CD2-CB 3.65Å; F296-W307 AromaticContact CD2-CD1 3.72Å; F296-W307 AromaticContact CD2-CG 3.88Å; F296-W307 HydrophobicContact CD2-CG 3.88Å; F296-W307 HydrophobicContact CE1-CB 3.57Å; F296-W307 HydrophobicContact CE2-CB 3.24Å; F296-W307 AromaticContact CE2-CD1 3.54Å; F296-W307 HydrophobicContact CE2-CD2 4.2Å; F296-W307 AromaticContact CE2-CG 3.37Å; F296-W307 HydrophobicContact CE2-CG 3.37Å; F296-W307 HydrophobicContact CG-CB 3.98Å; F296-W307 HydrophobicContact CZ-CB 3.22Å; F296-W307 AromaticContact CZ-CG 3.78Å; F296-W307 HydrophobicContact CZ-CG 3.78Å; F296-W307 PolarHBondContact N-O 2.85Å; F296-W307 VanDerWaalsContact N-O 3.15Å; F296-W307 PolarHBondContact O-N 3.17Å; S298-W307 PolarHBondContact OG-NE1 3.21Å; S305-W307 VanDerWaalsContact O-CD1 3.26Å; S305-W307 PolarHBondContact O-NE1 2.62Å; W307-L312 HydrophobicContact CE3-CD1 4.05Å; W307-P315 HydrophobicContact CD2-CB 4.09Å; W307-P315 HydrophobicContact CE3-CB 3.96Å; W307-P315 HydrophobicContact CH2-CB 3.94Å; W307-P315 HydrophobicContact CH2-CG 4.09Å; W307-P315 HydrophobicContact CZ2-CB 4.09Å; W307-P315 HydrophobicContact CZ3-CB 3.9Å; W307-P315 HydrophobicContact CZ3-CG 4.24Å
308R91.5Very high92.2Very high95 Ų9548 Ų4836%0.35823%0.228SC..EExtended strand (participates in β ladder)trans-124.1127.5172.8-145.7175.158.1176.72.5109K294 D310 N311 L312 V316K294-R308 CarbonylContact O-C 3.58Å; K294-R308 WeakPolarHBondContact O-CA 3.5Å; R308-D310 VanDerWaalsContact C-N 3.27Å; R308-D310 WeakPolarHBondContact CB-OD1 3.48Å; R308-D310 VanDerWaalsContact CD-OD1 3.31Å; R308-D310 WeakPolarHBondContact CD-OD1 3.32Å; R308-D310 WeakPolarHBondContact CG-OD1 3.25Å; R308-D310 IonicContact CZ-OD1 3.43Å; R308-D310 IonicContact CZ-OD2 3.57Å; R308-D310 IonicContact NE-OD1 2.64Å; R308-D310 PolarHBondContact NE-OD1 2.96Å; R308-D310 IonicContact NE-OD2 3.5Å; R308-D310 IonicContact NH2-OD1 3.5Å; R308-D310 PolarHBondContact O-N 3.11Å; R308-N311 CarbonylContact O-C 3.52Å; R308-N311 PolarHBondContact O-N 3.31Å; R308-N311 VanDerWaalsContact O-N 3.07Å; R308-L312 PolarHBondContact O-N 2.81Å; R308-V316 HydrophobicContact CB-CG2 3.68Å
309L90.3Very high91.9Very high36 Ų3648.9 Ų48.919%0.18823%0.232CC..THydrogen-bonded Turntrans-66-28-173.1-17465.2000113.7L249 V265 Q276 K294 F296 N311L249-L309 HydrophobicContact CB-CD2 4.43Å; L249-L309 HydrophobicContact CD1-CD1 3.57Å; L249-L309 HydrophobicContact CD1-CD2 3.85Å; L249-L309 HydrophobicContact CD1-CG 4.38Å; L249-L309 HydrophobicContact CD2-CD1 4.44Å; L249-L309 HydrophobicContact CD2-CD2 4.25Å; L249-L309 HydrophobicContact CG-CD2 4.41Å; V265-L309 HydrophobicContact CG2-CD1 3.97Å; Q276-L309 PolarHBondContact OE1-O 3.2Å; K294-L309 PolarHBondContact O-N 2.86Å; F296-L309 HydrophobicContact CE1-CB 4.28Å; F296-L309 HydrophobicContact CE1-CD1 4.39Å; L309-N311 VanDerWaalsContact C-N 3.28Å
310D88.3Confident91.6Very high86 Ų8653.8 Ų53.846%0.4626%0.256SS..THydrogen-bonded Turntrans-78.7-10.4176.157.27.4000113.4R308R308-D310 VanDerWaalsContact C-N 3.27Å; R308-D310 WeakPolarHBondContact CB-OD1 3.48Å; R308-D310 VanDerWaalsContact CD-OD1 3.31Å; R308-D310 WeakPolarHBondContact CD-OD1 3.32Å; R308-D310 WeakPolarHBondContact CG-OD1 3.25Å; R308-D310 IonicContact CZ-OD1 3.43Å; R308-D310 IonicContact CZ-OD2 3.57Å; R308-D310 IonicContact NE-OD1 2.64Å; R308-D310 PolarHBondContact NE-OD1 2.96Å; R308-D310 IonicContact NE-OD2 3.5Å; R308-D310 IonicContact NH2-OD1 3.5Å; R308-D310 PolarHBondContact O-N 3.11Å
311N86.5Confident91.5Very high48 Ų4853.7 Ų53.726%0.25725%0.254SS..  trans-142.867.9176.7-172.520.9000110.5R308 L309 E313R308-N311 CarbonylContact O-C 3.52Å; R308-N311 PolarHBondContact O-N 3.31Å; R308-N311 VanDerWaalsContact O-N 3.07Å; L309-N311 VanDerWaalsContact C-N 3.28Å; N311-E313 VanDerWaalsContact C-N 3.27Å; N311-E313 PolarHBondContact O-N 3.29Å
312L90.1Very high91.2Very high8 Ų854 Ų544%0.04227%0.267CS..THydrogen-bonded Turntrans-78.1-6.2-173.6-170.753.8000114.1V265 Q276 T278 F296 W307 R308 K314V265-L312 HydrophobicContact CG2-CD2 3.57Å; Q276-L312 HydrophobicContact CB-CD2 3.93Å; T278-L312 WeakPolarHBondContact CB-O 3.12Å; T278-L312 HydrophobicContact CG2-CD1 3.86Å; T278-L312 HydrophobicContact CG2-CD2 4.45Å; T278-L312 HydrophobicContact CG2-CG 3.77Å; T278-L312 WeakPolarHBondContact CG2-O 3.48Å; T278-L312 PolarHBondContact OG1-O 3.43Å; F296-L312 HydrophobicContact CE1-CD1 4.35Å; F296-L312 HydrophobicContact CE2-CD1 4.48Å; F296-L312 HydrophobicContact CZ-CD1 3.57Å; W307-L312 HydrophobicContact CE3-CD1 4.05Å; R308-L312 PolarHBondContact O-N 2.81Å; L312-K314 VanDerWaalsContact C-N 3.28Å; L312-K314 PolarHBondContact O-N 2.88Å
313E88.1Confident91Very high164 Ų16449.3 Ų49.377%0.76625%0.254SS*.THydrogen-bonded Turntrans-59.8-38.9-175.9-65.6-175.7173.400112.5T278 N311T278-E313 PolarHBondContact OG1-O 2.85Å; T278-E313 VanDerWaalsContact OG1-O 3.07Å; N311-E313 VanDerWaalsContact C-N 3.27Å; N311-E313 PolarHBondContact O-N 3.29Å
314K88.5Confident91Very high101 Ų10149.8 Ų49.844%0.43926%0.258SS..SBendtrans-141.6151.7179.662.7-176.9179.3-178.80111.2L312L312-K314 VanDerWaalsContact C-N 3.28Å; L312-K314 PolarHBondContact O-N 2.88Å
315P91.3Very high90.9Very high42 Ų4249.8 Ų49.827%0.27326%0.258SS..  trans-62.5142.4173.527.7-33.5000109.7L306 W307 Y317 T318L306-P315 CarbonylContact O-C 3.38Å; L306-P315 VanDerWaalsContact O-CA 3.29Å; L306-P315 WeakPolarHBondContact O-CA 3.41Å; L306-P315 WeakPolarHBondContact O-CB 3.3Å; W307-P315 HydrophobicContact CD2-CB 4.09Å; W307-P315 HydrophobicContact CE3-CB 3.96Å; W307-P315 HydrophobicContact CH2-CB 3.94Å; W307-P315 HydrophobicContact CH2-CG 4.09Å; W307-P315 HydrophobicContact CZ2-CB 4.09Å; W307-P315 HydrophobicContact CZ3-CB 3.9Å; W307-P315 HydrophobicContact CZ3-CG 4.24Å; P315-Y317 PolarHBondContact O-N 3.05Å; P315-T318 WeakPolarHBondContact CG-OG1 3.29Å
316V88.9Confident90.8Very high38 Ų3852.4 Ų52.423%0.2327%0.272CS..SBendtrans-59-42.3172.7178.60000109.8L306 R308 M356 F357L306-V316 PolarHBondContact O-N 2.85Å; R308-V316 HydrophobicContact CB-CG2 3.68Å; V316-M356 WeakPolarHBondContact CG1-O 3.49Å; V316-F357 HydrophobicContact CB-CD1 4.33Å; V316-F357 HydrophobicContact CB-CE1 4.17Å; V316-F357 HydrophobicContact CG1-CD1 4Å; V316-F357 HydrophobicContact CG1-CE1 4.31Å; V316-F357 HydrophobicContact CG2-CD1 4.08Å; V316-F357 HydrophobicContact CG2-CE1 3.92Å
317Y90.2Very high90.7Very high60 Ų6054.2 Ų54.224%0.23528%0.28CS..EExtended strand (participates in β ladder)trans-154.7151.6177.8-167.4-83000110.1L306 P315 F319 M356 Q366L306-Y317 PolarHBondContact N-O 3.09Å; P315-Y317 PolarHBondContact O-N 3.05Å; Y317-F319 AromaticContact CD1-CD1 3.94Å; Y317-F319 HydrophobicContact CD1-CD1 3.94Å; Y317-F319 HydrophobicContact CE1-CB 3.92Å; Y317-F319 AromaticContact CE1-CD1 3.97Å; Y317-F319 HydrophobicContact CE1-CD1 3.97Å; Y317-F319 HydrophobicContact CE1-CG 4.38Å; Y317-M356 HydrophobicContact CD1-CE 2.9Å; Y317-M356 HydrophobicContact CD2-CE 4.07Å; Y317-M356 HydrophobicContact CE1-CE 3.18Å; Y317-M356 HydrophobicContact CE2-CE 4.3Å; Y317-M356 HydrophobicContact CG-CB 4.48Å; Y317-M356 HydrophobicContact CG-CE 3.37Å; Y317-Q366 PolarHBondContact OH-O 3.27Å
318T90.8Very high90.7Very high51 Ų5154.6 Ų54.631%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-137.5132.6174.9-68.20000110Q303 I304 S305 P315Q303-T318 HydrophobicContact CG-CG2 3.44Å; Q303-T318 VanDerWaalsContact CG-CG2 3.44Å; Q303-T318 VanDerWaalsContact NE2-CG2 3.26Å; I304-T318 CarbonylContact O-C 3.45Å; I304-T318 VanDerWaalsContact O-CA 3.26Å; I304-T318 WeakPolarHBondContact O-CA 3.08Å; S305-T318 PolarHBondContact OG-OG1 3.22Å; P315-T318 WeakPolarHBondContact CG-OG1 3.29Å
319F90.3Very high90.9Very high19 Ų1951.9 Ų51.98%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-130.4164.5173.654.1-76.9000112.4I304 L306 Y317 Y351 M356I304-F319 HydrophobicContact CB-CD1 4.45Å; I304-F319 HydrophobicContact CB-CD2 4.38Å; I304-F319 HydrophobicContact CB-CE1 4.09Å; I304-F319 HydrophobicContact CB-CE2 4.03Å; I304-F319 HydrophobicContact CB-CZ 3.87Å; I304-F319 HydrophobicContact CD1-CD2 4.34Å; I304-F319 HydrophobicContact CD1-CE2 3.59Å; I304-F319 HydrophobicContact CD1-CZ 3.94Å; I304-F319 HydrophobicContact CG1-CE2 4.35Å; I304-F319 HydrophobicContact CG2-CE1 3.88Å; I304-F319 HydrophobicContact CG2-CE2 4.36Å; I304-F319 HydrophobicContact CG2-CZ 3.72Å; I304-F319 PolarHBondContact N-O 2.79Å; I304-F319 PolarHBondContact O-N 2.71Å; L306-F319 HydrophobicContact CD1-CE1 4.44Å; L306-F319 HydrophobicContact CG-CE1 4.37Å; Y317-F319 AromaticContact CD1-CD1 3.94Å; Y317-F319 HydrophobicContact CD1-CD1 3.94Å; Y317-F319 HydrophobicContact CE1-CB 3.92Å; Y317-F319 AromaticContact CE1-CD1 3.97Å; Y317-F319 HydrophobicContact CE1-CD1 3.97Å; Y317-F319 HydrophobicContact CE1-CG 4.38Å; F319-Y351 HydrophobicContact CE2-CD1 4.32Å; F319-Y351 AromaticContact CE2-CD2 3.99Å; F319-Y351 HydrophobicContact CE2-CD2 3.99Å; F319-Y351 HydrophobicContact CE2-CE1 4.08Å; F319-Y351 AromaticContact CE2-CE2 3.75Å; F319-Y351 HydrophobicContact CE2-CE2 3.75Å; F319-Y351 HydrophobicContact CE2-CG 4.27Å; F319-Y351 AromaticContact CE2-CZ 3.82Å; F319-Y351 HydrophobicContact CZ-CD1 4.44Å; F319-Y351 HydrophobicContact CZ-CD2 4.06Å; F319-Y351 HydrophobicContact CZ-CE2 4.3Å; F319-Y351 HydrophobicContact CZ-CG 4.14Å; F319-M356 HydrophobicContact CD1-CE 3.95Å; F319-M356 HydrophobicContact CE1-CE 4.1Å
320M91Very high91.1Very high107 Ų10750.7 Ų50.753%0.52727%0.266SS..EExtended strand (participates in β ladder)trans-116.8134.1-176.6-64.9-65.5-70.500111.1R302 Q303R302-M320 HydrophobicContact CB-CE 3.94Å; R302-M320 WeakPolarHBondContact O-CA 3.26Å; Q303-M320 VanDerWaalsContact CA-SD 3.54Å; Q303-M320 HydrophobicContact CB-CE 4.46Å; Q303-M320 HydrophobicContact CB-SD 3.52Å; Q303-M320 VanDerWaalsContact CB-SD 3.52Å; Q303-M320 HydrophobicContact CG-SD 3.86Å
321E92.7Very high91.3Very high6 Ų646.6 Ų46.63%0.02824%0.244CC..  trans-90.6163.8173.9-73.7-64.7171.500113.1R302 I304 G323 V325 V340 V342 K349 Y351R302-E321 PolarHBondContact O-N 2.72Å; I304-E321 HydrophobicContact CD1-CG 3.76Å; E321-G323 WeakPolarHBondContact CB-O 3.27Å; E321-G323 PolarHBondContact O-N 3.36Å; E321-V325 HydrophobicContact CB-CG2 4.37Å; E321-V325 HydrophobicContact CG-CG2 4.09Å; E321-V340 HydrophobicContact CG-CG1 4.33Å; E321-V342 HydrophobicContact CB-CG2 4.08Å; E321-V342 HydrophobicContact CG-CG2 4.01Å; E321-K349 VanDerWaalsContact OE2-CD 3.31Å; E321-K349 WeakPolarHBondContact OE2-CD 3.41Å; E321-K349 WeakPolarHBondContact OE2-CE 3.46Å; E321-K349 IonicContact OE2-NZ 3.67Å; E321-K349 PolarHBondContact OE2-NZ 2.9Å; E321-Y351 WeakPolarHBondContact OE1-CE2 3.39Å; E321-Y351 VanDerWaalsContact OE1-CZ 3.24Å; E321-Y351 PolarHBondContact OE1-OH 2.69Å
322S86.3Confident91.5Very high98 Ų9846.5 Ų46.569%0.68525%0.246SC*.SBendtrans-67.7-24.5177.353.70000113.5
323G91Very high91.3Very high14 Ų1448.9 Ų48.914%0.14426%0.259CS..SBendtrans-144.1-177.7179.300000110.9R302 E321 V342R302-G323 WeakPolarHBondContact CG-O 3.49Å; E321-G323 WeakPolarHBondContact CB-O 3.27Å; E321-G323 PolarHBondContact O-N 3.36Å; G323-V342 VanDerWaalsContact C-CG1 3.43Å; G323-V342 VanDerWaalsContact CA-CG1 3.48Å
324D93.6Very high91.2Very high72 Ų7241.6 Ų41.639%0.38522%0.224SC..  trans-69.3137.8-178.4-70-27.6000110.8R302 L326 V342 T343R302-D324 VanDerWaalsContact CG-OD1 3.26Å; R302-D324 WeakPolarHBondContact CG-OD1 3.36Å; D324-L326 PolarHBondContact O-N 2.79Å; D324-V342 CarbonylContact O-C 3.51Å; D324-V342 WeakPolarHBondContact O-CA 3.46Å; D324-V342 WeakPolarHBondContact O-CG1 3.3Å; D324-T343 HydrophobicContact CB-CG2 3.82Å; D324-T343 PolarHBondContact N-OG1 3.03Å; D324-T343 WeakPolarHBondContact O-CG2 3.37Å; D324-T343 PolarHBondContact O-N 3.25Å; D324-T343 PolarHBondContact O-OG1 2.79Å
325V94.8Very high91Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-76.3126.8178.8179.40000108.8Y3 F299 E301 I304 E321 I328 V340Y3-V325 WeakPolarHBondContact CE1-O 3.43Å; Y3-V325 PolarHBondContact OH-O 3.05Å; F299-V325 HydrophobicContact CB-CB 4.36Å; F299-V325 HydrophobicContact CB-CG1 4.27Å; F299-V325 HydrophobicContact CD1-CG1 3.85Å; F299-V325 HydrophobicContact CD2-CB 3.64Å; F299-V325 HydrophobicContact CD2-CG1 3.82Å; F299-V325 HydrophobicContact CE1-CG1 4.01Å; F299-V325 HydrophobicContact CE2-CB 3.96Å; F299-V325 HydrophobicContact CE2-CG1 4.01Å; F299-V325 WeakPolarHBondContact CE2-O 3.48Å; F299-V325 HydrophobicContact CG-CB 3.97Å; F299-V325 HydrophobicContact CG-CG1 3.73Å; F299-V325 HydrophobicContact CZ-CG1 4.11Å; E301-V325 WeakPolarHBondContact O-CB 3.36Å; E301-V325 PolarHBondContact O-N 3.13Å; I304-V325 HydrophobicContact CD1-CG2 3.8Å; I304-V325 HydrophobicContact CG1-CG2 3.74Å; E321-V325 HydrophobicContact CB-CG2 4.37Å; E321-V325 HydrophobicContact CG-CG2 4.09Å; V325-I328 HydrophobicContact CG1-CG2 3.65Å; V325-V340 HydrophobicContact CG1-CG1 4.27Å; V325-V340 HydrophobicContact CG2-CG1 4.49Å
326L92Very high90.9Very high55 Ų5537.4 Ų37.429%0.28820%0.202SC..EExtended strand (participates in β ladder)trans-89-47175-75.8175.8000111.7D324 L341 T343D324-L326 PolarHBondContact O-N 2.79Å; L326-L341 HydrophobicContact CB-CD2 4.41Å; L326-L341 HydrophobicContact CB-CG 4.25Å; L326-L341 HydrophobicContact CD1-CD2 4.25Å; L326-L341 HydrophobicContact CD1-CG 4.2Å; L326-L341 PolarHBondContact N-O 2.79Å; L326-T343 HydrophobicContact CD1-CG2 4.29Å; L326-T343 HydrophobicContact CD2-CG2 3.67Å; L326-T343 HydrophobicContact CG-CG2 3.72Å
327Q92.5Very high91.1Very high37 Ų3736.5 Ų36.517%0.17320%0.195CC..EExtended strand (participates in β ladder)trans-155.2143.1-174.4-174.1173.853.800110.6D8 K329 L341 F386D8-Q327 PolarHBondContact OD1-NE2 3.47Å; Q327-K329 HydrophobicContact CG-CG 4.25Å; Q327-L341 PolarHBondContact N-O 3.43Å; Q327-L341 PolarHBondContact O-N 2.9Å; Q327-F386 HydrophobicContact CB-CE1 4.34Å; Q327-F386 HydrophobicContact CG-CE1 4.31Å; Q327-F386 PolarHBondContact OE1-O 3.12Å
328I95.7Very high91.3Very high10 Ų1033.7 Ų33.75%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-125.8138.8169.562.4172.6000109.8G285 T287 A297 F299 V325 L338 G339 V340G285-I328 WeakPolarHBondContact O-CD1 3.35Å; G285-I328 WeakPolarHBondContact O-CG1 3.44Å; T287-I328 HydrophobicContact CG2-CD1 3.94Å; T287-I328 HydrophobicContact CG2-CG1 3.83Å; A297-I328 HydrophobicContact CB-CD1 3.77Å; F299-I328 HydrophobicContact CD1-CD1 3.85Å; F299-I328 HydrophobicContact CD1-CG1 3.86Å; F299-I328 HydrophobicContact CD1-CG2 4.14Å; F299-I328 HydrophobicContact CE1-CG1 4.18Å; V325-I328 HydrophobicContact CG1-CG2 3.65Å; I328-L338 HydrophobicContact CB-CD1 4.18Å; I328-G339 CarbonylContact C-O 3.49Å; I328-G339 VanDerWaalsContact CA-O 3.26Å; I328-G339 WeakPolarHBondContact CA-O 3.48Å; I328-V340 HydrophobicContact CG2-CB 4.43Å; I328-V340 HydrophobicContact CG2-CG1 4.26Å; I328-V340 HydrophobicContact CG2-CG2 4Å
329K95.3Very high91.6Very high37 Ų3731.2 Ų31.216%0.16117%0.169CC..EExtended strand (participates in β ladder)trans-144.5127.1178.5-73.1-179.4171.41650110D8 I9 Q327 G339 F386 W388D8-K329 IonicContact OD1-NZ 3.82Å; D8-K329 PolarHBondContact OD1-NZ 3.16Å; I9-K329 PolarHBondContact O-NZ 3.04Å; Q327-K329 HydrophobicContact CG-CG 4.25Å; K329-G339 PolarHBondContact N-O 2.99Å; K329-G339 PolarHBondContact O-N 2.86Å; K329-F386 HydrophobicContact CB-CE2 4.03Å; K329-F386 HydrophobicContact CB-CZ 3.91Å; K329-F386 HydrophobicContact CG-CZ 4.35Å; K329-F386 PolarHBondContact NZ-O 2.91Å; K329-W388 PolarHBondContact O-NE1 3.15Å
330W95.6Very high91.9Very high11 Ų1130.3 Ų30.34%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-69.2147171.1-67.8105.7000111.2T287 V288 D289 R295 A297 L306 W337 L338 T353 F357 W388T287-W330 PolarHBondContact O-NE1 3.41Å; V288-W330 VanDerWaalsContact O-CD1 3.24Å; D289-W330 HydrophobicContact CB-CD2 4Å; D289-W330 HydrophobicContact CB-CE3 4.41Å; D289-W330 HydrophobicContact CB-CG 4.12Å; R295-W330 HydrophobicContact CG-CH2 4.17Å; R295-W330 HydrophobicContact CG-CZ2 4.05Å; A297-W330 HydrophobicContact CB-CZ2 3.68Å; L306-W330 HydrophobicContact CD2-CH2 4.08Å; L306-W330 HydrophobicContact CD2-CZ2 4.24Å; W330-W337 CarbonylContact C-O 3.48Å; W330-W337 WeakPolarHBondContact CA-O 3.49Å; W330-L338 HydrophobicContact CD2-CD1 3.76Å; W330-L338 HydrophobicContact CE3-CB 3.97Å; W330-L338 HydrophobicContact CE3-CD1 4.02Å; W330-L338 HydrophobicContact CG-CD1 4.15Å; W330-L338 HydrophobicContact CH2-CB 4.19Å; W330-L338 HydrophobicContact CH2-CD1 4.39Å; W330-L338 HydrophobicContact CZ2-CD1 4.19Å; W330-L338 HydrophobicContact CZ3-CB 3.73Å; W330-L338 HydrophobicContact CZ3-CD1 4.3Å; W330-T353 HydrophobicContact CH2-CG2 4.31Å; W330-T353 WeakPolarHBondContact CH2-OG1 3.4Å; W330-T353 HydrophobicContact CZ3-CG2 4.31Å; W330-T353 WeakPolarHBondContact CZ3-OG1 3.16Å; W330-F357 HydrophobicContact CH2-CE2 4.2Å; W330-W388 VanDerWaalsContact O-CD1 3.24Å; W330-W388 PolarHBondContact O-NE1 3.19Å
331S93Very high92.1Very high1 Ų125.2 Ų25.21%0.00714%0.14CC..  trans-67.4132.1171.2-177.10000110.1P290 L333 R334 W337P290-S331 WeakPolarHBondContact CG-O 3.25Å; S331-L333 PolarHBondContact O-N 3.4Å; S331-L333 PolarHBondContact OG-N 2.98Å; S331-R334 PolarHBondContact OG-N 2.98Å; S331-R334 VanDerWaalsContact OG-N 3.16Å; S331-W337 PolarHBondContact N-O 2.64Å
332P89.8Confident92.2Very high46 Ų4625.2 Ų25.230%0.29914%0.14SC..SBendtrans-72.9-17.7174.728.3-32.1000113.1W388P332-W388 HydrophobicContact CG-CB 3.98Å
333L86.6Confident92.4Very high58 Ų5822.6 Ų22.630%0.30412%0.12SC..SBendtrans-115.6-13.8-172-62.3173.4000113.1S331 P390 S391 I393S331-L333 PolarHBondContact O-N 3.4Å; S331-L333 PolarHBondContact OG-N 2.98Å; L333-P390 WeakPolarHBondContact CD1-O 3.49Å; L333-P390 WeakPolarHBondContact CD2-O 3.24Å; L333-S391 VanDerWaalsContact CD1-C 3.49Å; L333-I393 HydrophobicContact CB-CB 4.39Å; L333-I393 HydrophobicContact CB-CG1 3.99Å; L333-I393 HydrophobicContact CD1-CB 4.25Å
334R85.7Confident92.2Very high11 Ų1126.5 Ų26.54%0.04214%0.137CC..SBendtrans-123.4117.4179.3-67.5-172.8162.2-152.1-10.4110.9S331 A336 W337 I393 N394 E412S331-R334 PolarHBondContact OG-N 2.98Å; S331-R334 VanDerWaalsContact OG-N 3.16Å; R334-A336 PolarHBondContact O-N 2.89Å; R334-W337 HydrophobicContact CB-CB 3.73Å; R334-W337 HydrophobicContact CB-CD2 4.28Å; R334-W337 HydrophobicContact CB-CG 3.6Å; R334-W337 HydrophobicContact CG-CG 4.47Å; R334-W337 PolarHBondContact O-N 2.92Å; R334-I393 HydrophobicContact CG-CD1 3.85Å; R334-I393 HydrophobicContact CG-CG1 3.61Å; R334-N394 PolarHBondContact NH2-OD1 2.94Å; R334-N394 VanDerWaalsContact NH2-OD1 3.16Å; R334-E412 IonicContact CZ-OE1 2.71Å; R334-E412 IonicContact CZ-OE2 2.98Å; R334-E412 IonicContact NH1-OE1 3.55Å; R334-E412 PolarHBondContact NH1-OE1 3.17Å; R334-E412 IonicContact NH2-OE1 3.99Å; R334-E412 PolarHBondContact NH2-OE1 2.83Å; R334-E412 IonicContact NH2-OE2 2.92Å; R334-E412 PolarHBondContact NH2-OE2 2.78Å
335E83.6Confident92.1Very high54 Ų5424 Ų2425%0.25213%0.126SC..THydrogen-bonded Turntrans-64.8136.5179.5-175-174167.400109.5L291 R295 W337 R430L291-E335 HydrophobicContact CB-CB 4.16Å; L291-E335 HydrophobicContact CB-CG 4.25Å; L291-E335 HydrophobicContact CD1-CB 4.06Å; L291-E335 VanDerWaalsContact CD1-N 3.3Å; R295-E335 IonicContact CZ-OE1 3.9Å; R295-E335 VanDerWaalsContact NH1-CG 3.27Å; R295-E335 IonicContact NH1-OE1 2.69Å; R295-E335 PolarHBondContact NH1-OE1 3.06Å; R295-E335 IonicContact NH2-OE1 2.81Å; R295-E335 PolarHBondContact NH2-OE1 3.26Å; E335-W337 PolarHBondContact O-N 2.88Å; E335-R430 IonicContact OE2-NH1 3.53Å
336A88.9Confident92Very high0 Ų025.8 Ų25.80%014%0.138CC..THydrogen-bonded Turntrans62.616.8178.200000115.6D289 R334 T353 Y354D289-A336 PolarHBondContact OD2-N 3.15Å; R334-A336 PolarHBondContact O-N 2.89Å; A336-T353 WeakPolarHBondContact O-CB 3.4Å; A336-T353 PolarHBondContact O-N 3.32Å; A336-T353 PolarHBondContact O-OG1 3.45Å; A336-Y354 HydrophobicContact CB-CD2 3.92Å; A336-Y354 HydrophobicContact CB-CG 4.39Å
337W92.9Very high91.9Very high20 Ų2023.7 Ų23.78%0.07613%0.127CC..EExtended strand (participates in β ladder)trans-95.2117.7173.7-82.657.7000111.5W330 S331 R334 E335 L350 Y351 D352 W388 L410W330-W337 CarbonylContact C-O 3.48Å; W330-W337 WeakPolarHBondContact CA-O 3.49Å; S331-W337 PolarHBondContact N-O 2.64Å; R334-W337 HydrophobicContact CB-CB 3.73Å; R334-W337 HydrophobicContact CB-CD2 4.28Å; R334-W337 HydrophobicContact CB-CG 3.6Å; R334-W337 HydrophobicContact CG-CG 4.47Å; R334-W337 PolarHBondContact O-N 2.92Å; E335-W337 PolarHBondContact O-N 2.88Å; W337-L350 HydrophobicContact CE3-CB 4.4Å; W337-L350 HydrophobicContact CE3-CD1 3.96Å; W337-L350 HydrophobicContact CZ3-CB 4.37Å; W337-L350 HydrophobicContact CZ3-CD1 3.78Å; W337-Y351 WeakPolarHBondContact CA-O 3.48Å; W337-D352 HydrophobicContact CZ2-CB 4.39Å; W337-D352 PolarHBondContact NE1-OD2 3.12Å; W337-W388 HydrophobicContact CE3-CH2 4.45Å; W337-L410 HydrophobicContact CE3-CD2 4.44Å; W337-L410 HydrophobicContact CH2-CD2 3.62Å; W337-L410 HydrophobicContact CZ3-CD2 3.4Å; W337-L410 VanDerWaalsContact CZ3-CD2 3.4Å
338L95.6Very high92Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-108.2122.9-178.6-171.565.4000110.7A297 I304 L306 I328 W330 V340 L350 Y351 T353A297-L338 HydrophobicContact CB-CD1 4.37Å; A297-L338 HydrophobicContact CB-CD2 4.19Å; I304-L338 HydrophobicContact CG2-CD2 4.2Å; L306-L338 HydrophobicContact CD2-CD2 4.12Å; I328-L338 HydrophobicContact CB-CD1 4.18Å; W330-L338 HydrophobicContact CD2-CD1 3.76Å; W330-L338 HydrophobicContact CE3-CB 3.97Å; W330-L338 HydrophobicContact CE3-CD1 4.02Å; W330-L338 HydrophobicContact CG-CD1 4.15Å; W330-L338 HydrophobicContact CH2-CB 4.19Å; W330-L338 HydrophobicContact CH2-CD1 4.39Å; W330-L338 HydrophobicContact CZ2-CD1 4.19Å; W330-L338 HydrophobicContact CZ3-CB 3.73Å; W330-L338 HydrophobicContact CZ3-CD1 4.3Å; L338-V340 HydrophobicContact CD2-CG2 4.12Å; L338-V340 HydrophobicContact CG-CG2 4.09Å; L338-L350 WeakPolarHBondContact O-CA 3.36Å; L338-Y351 PolarHBondContact N-O 2.86Å; L338-Y351 PolarHBondContact O-N 3.04Å; L338-T353 HydrophobicContact CB-CG2 4.14Å
339G96.1Very high91.9Very high0 Ų022.7 Ų22.70%012%0.122CC..EExtended strand (participates in β ladder)trans-88.3136.5166.800000110.4I328 K329 K349 F386I328-G339 CarbonylContact C-O 3.49Å; I328-G339 VanDerWaalsContact CA-O 3.26Å; I328-G339 WeakPolarHBondContact CA-O 3.48Å; K329-G339 PolarHBondContact N-O 2.99Å; K329-G339 PolarHBondContact O-N 2.86Å; G339-K349 CarbonylContact C-O 3.56Å; G339-K349 WeakPolarHBondContact CA-O 3.41Å; G339-F386 WeakPolarHBondContact O-CZ 3.19Å
340V96.3Very high91.8Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-132127.6-177.8179.50000109.1I304 E321 V325 I328 L338 V342 K349 Y351I304-V340 HydrophobicContact CD1-CB 4.36Å; I304-V340 HydrophobicContact CD1-CG1 3.57Å; I304-V340 HydrophobicContact CD1-CG2 3.82Å; E321-V340 HydrophobicContact CG-CG1 4.33Å; V325-V340 HydrophobicContact CG1-CG1 4.27Å; V325-V340 HydrophobicContact CG2-CG1 4.49Å; I328-V340 HydrophobicContact CG2-CB 4.43Å; I328-V340 HydrophobicContact CG2-CG1 4.26Å; I328-V340 HydrophobicContact CG2-CG2 4Å; L338-V340 HydrophobicContact CD2-CG2 4.12Å; L338-V340 HydrophobicContact CG-CG2 4.09Å; V340-V342 HydrophobicContact CG1-CG2 4.22Å; V340-K349 HydrophobicContact CB-CB 4.31Å; V340-K349 PolarHBondContact N-O 2.81Å; V340-K349 PolarHBondContact O-N 3.1Å; V340-Y351 HydrophobicContact CB-CD2 4.38Å; V340-Y351 HydrophobicContact CB-CE2 4.22Å; V340-Y351 HydrophobicContact CG2-CD2 3.72Å; V340-Y351 HydrophobicContact CG2-CE2 3.94Å
341L95.5Very high91.6Very high0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-111.5129.4171.4178.163.1000109.6L326 Q327 L383 F386L326-L341 HydrophobicContact CB-CD2 4.41Å; L326-L341 HydrophobicContact CB-CG 4.25Å; L326-L341 HydrophobicContact CD1-CD2 4.25Å; L326-L341 HydrophobicContact CD1-CG 4.2Å; L326-L341 PolarHBondContact N-O 2.79Å; Q327-L341 PolarHBondContact N-O 3.43Å; Q327-L341 PolarHBondContact O-N 2.9Å; L341-L383 HydrophobicContact CD1-CB 3.74Å; L341-L383 HydrophobicContact CD1-CD1 4.41Å; L341-L383 HydrophobicContact CD2-CB 4.38Å; L341-F386 HydrophobicContact CB-CD1 3.74Å; L341-F386 HydrophobicContact CB-CE1 3.76Å; L341-F386 HydrophobicContact CD2-CD1 4.3Å
342V94.4Very high91.3Very high5 Ų522.7 Ų22.73%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-108.7149.3-178.8179.10000109.6E321 G323 D324 V340 S345E321-V342 HydrophobicContact CB-CG2 4.08Å; E321-V342 HydrophobicContact CG-CG2 4.01Å; G323-V342 VanDerWaalsContact C-CG1 3.43Å; G323-V342 VanDerWaalsContact CA-CG1 3.48Å; D324-V342 CarbonylContact O-C 3.51Å; D324-V342 WeakPolarHBondContact O-CA 3.46Å; D324-V342 WeakPolarHBondContact O-CG1 3.3Å; V340-V342 HydrophobicContact CG1-CG2 4.22Å; V342-S345 WeakPolarHBondContact O-CB 3.49Å; V342-S345 PolarHBondContact O-N 3.03Å
343T91Very high91.2Very high43 Ų4320.5 Ų20.526%0.26411%0.11SC..THydrogen-bonded Turntrans-52.7138174.651.20000111.5D324 L326 S345D324-T343 HydrophobicContact CB-CG2 3.82Å; D324-T343 PolarHBondContact N-OG1 3.03Å; D324-T343 WeakPolarHBondContact O-CG2 3.37Å; D324-T343 PolarHBondContact O-N 3.25Å; D324-T343 PolarHBondContact O-OG1 2.79Å; L326-T343 HydrophobicContact CD1-CG2 4.29Å; L326-T343 HydrophobicContact CD2-CG2 3.67Å; L326-T343 HydrophobicContact CG-CG2 3.72Å; T343-S345 PolarHBondContact O-N 2.83Å; T343-S345 VanDerWaalsContact O-N 3.09Å
344D88Confident91.1Very high96 Ų9623.1 Ų23.151%0.51312%0.117SC..THydrogen-bonded Turntrans58.318179.3-56.7-50.2000115.3N382 R401D344-N382 VanDerWaalsContact CA-ND2 3.34Å; D344-N382 WeakPolarHBondContact CA-ND2 3.1Å; D344-N382 WeakPolarHBondContact CB-ND2 3.25Å; D344-N382 PolarHBondContact O-OD1 3.05Å; D344-N382 PolarHBondContact OD1-ND2 2.86Å; D344-N382 VanDerWaalsContact OD1-ND2 3.08Å; D344-R401 IonicContact OD1-CZ 2.73Å; D344-R401 VanDerWaalsContact OD1-CZ 3.23Å; D344-R401 IonicContact OD1-NH1 2.91Å; D344-R401 PolarHBondContact OD1-NH1 3Å; D344-R401 IonicContact OD1-NH2 3.98Å; D344-R401 PolarHBondContact OD1-NH2 2.9Å
345S91.8Very high90.6Very high21 Ų2124.9 Ų24.915%0.14713%0.131CC..  trans-84.1139.2173.1-172.60000111.4V342 T343 T347 N382 L383V342-S345 WeakPolarHBondContact O-CB 3.49Å; V342-S345 PolarHBondContact O-N 3.03Å; T343-S345 PolarHBondContact O-N 2.83Å; T343-S345 VanDerWaalsContact O-N 3.09Å; S345-T347 VanDerWaalsContact C-N 3.32Å; S345-T347 PolarHBondContact OG-N 2.88Å; S345-T347 PolarHBondContact OG-O 2.65Å; S345-T347 PolarHBondContact OG-OG1 2.87Å; S345-T347 VanDerWaalsContact OG-OG1 3.13Å; S345-N382 WeakPolarHBondContact O-CA 3.15Å; S345-L383 PolarHBondContact O-N 2.89Å
346C90.9Very high90.5Very high36 Ų3622.9 Ų22.924%0.24312%0.121CC..SBendtrans-92.47.116658.10000112.6P375C346-P375 WeakPolarHBondContact O-CD 3.39Å
347T91.3Very high90.2Very high12 Ų1223.9 Ų23.97%0.07413%0.126CC..SBendtrans-134.3155.4-177.360.40000112.5S345 L373 F374S345-T347 VanDerWaalsContact C-N 3.32Å; S345-T347 PolarHBondContact OG-N 2.88Å; S345-T347 PolarHBondContact OG-O 2.65Å; S345-T347 PolarHBondContact OG-OG1 2.87Å; S345-T347 VanDerWaalsContact OG-OG1 3.13Å; T347-L373 VanDerWaalsContact CA-O 3.25Å; T347-L373 WeakPolarHBondContact CA-O 3.44Å; T347-L373 VanDerWaalsContact CB-O 3.24Å; T347-L373 WeakPolarHBondContact CB-O 3.45Å; T347-F374 HydrophobicContact CG2-CD1 3.27Å; T347-F374 HydrophobicContact CG2-CD2 4.14Å; T347-F374 HydrophobicContact CG2-CE1 3.18Å; T347-F374 HydrophobicContact CG2-CE2 4.06Å; T347-F374 HydrophobicContact CG2-CG 3.77Å; T347-F374 HydrophobicContact CG2-CZ 3.6Å
348V93.8Very high89.2Confident0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-98.4132.1167.6-177.20000108.1L350 L373 L383 F386 L396 T398V348-L350 HydrophobicContact CG1-CD2 4.29Å; V348-L373 HydrophobicContact CB-CB 4.44Å; V348-L373 PolarHBondContact N-O 3.41Å; V348-L373 WeakPolarHBondContact O-CB 3.43Å; V348-L373 PolarHBondContact O-N 3.44Å; V348-L383 HydrophobicContact CG2-CD1 3.87Å; V348-F386 HydrophobicContact CG1-CD1 4.25Å; V348-F386 HydrophobicContact CG1-CD2 4.01Å; V348-F386 HydrophobicContact CG1-CE1 4.31Å; V348-F386 HydrophobicContact CG1-CE2 4.06Å; V348-F386 HydrophobicContact CG1-CG 4.11Å; V348-F386 HydrophobicContact CG1-CZ 4.22Å; V348-F386 HydrophobicContact CG2-CB 3.85Å; V348-F386 HydrophobicContact CG2-CD1 4.27Å; V348-F386 HydrophobicContact CG2-CD2 4.47Å; V348-F386 HydrophobicContact CG2-CG 3.95Å; V348-L396 HydrophobicContact CG1-CD2 4.43Å; V348-T398 HydrophobicContact CG2-CG2 4.06Å
349K93.8Very high87.5Confident25 Ų2531.5 Ų31.511%0.10917%0.17CC..EExtended strand (participates in β ladder)trans-90.6136.7173.6-57.6-169.1165-157.90109.9E321 G339 V340 Y351 E370 R371 L372E321-K349 VanDerWaalsContact OE2-CD 3.31Å; E321-K349 WeakPolarHBondContact OE2-CD 3.41Å; E321-K349 WeakPolarHBondContact OE2-CE 3.46Å; E321-K349 IonicContact OE2-NZ 3.67Å; E321-K349 PolarHBondContact OE2-NZ 2.9Å; G339-K349 CarbonylContact C-O 3.56Å; G339-K349 WeakPolarHBondContact CA-O 3.41Å; V340-K349 HydrophobicContact CB-CB 4.31Å; V340-K349 PolarHBondContact N-O 2.81Å; V340-K349 PolarHBondContact O-N 3.1Å; K349-Y351 HydrophobicContact CB-CE2 3.86Å; K349-Y351 HydrophobicContact CD-CE2 4.33Å; K349-E370 VanDerWaalsContact CD-OE1 3.28Å; K349-E370 WeakPolarHBondContact CD-OE1 3.45Å; K349-E370 WeakPolarHBondContact CE-OE1 3.27Å; K349-E370 IonicContact NZ-OE1 2.9Å; K349-E370 PolarHBondContact NZ-OE1 2.76Å; K349-E370 IonicContact NZ-OE2 2.94Å; K349-R371 CarbonylContact C-O 3.56Å; K349-R371 WeakPolarHBondContact CA-O 3.24Å; K349-L372 HydrophobicContact CB-CD2 4.45Å; K349-L372 HydrophobicContact CD-CD2 4.28Å; K349-L372 HydrophobicContact CG-CD2 3.67Å
350L92.9Very high85.5Confident1 Ų136.3 Ų36.31%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-114134.5172.5-61.8-165.4000110.5W337 L338 V348 E370 R371 L373 W388 L396 L410W337-L350 HydrophobicContact CE3-CB 4.4Å; W337-L350 HydrophobicContact CE3-CD1 3.96Å; W337-L350 HydrophobicContact CZ3-CB 4.37Å; W337-L350 HydrophobicContact CZ3-CD1 3.78Å; L338-L350 WeakPolarHBondContact O-CA 3.36Å; V348-L350 HydrophobicContact CG1-CD2 4.29Å; L350-E370 CarbonylContact O-C 3.57Å; L350-E370 WeakPolarHBondContact O-CA 3.42Å; L350-R371 HydrophobicContact CB-CB 4.4Å; L350-R371 PolarHBondContact N-O 3.31Å; L350-R371 PolarHBondContact O-N 2.76Å; L350-L373 HydrophobicContact CD1-CD1 3.21Å; L350-L373 HydrophobicContact CD1-CG 4.49Å; L350-L373 HydrophobicContact CD2-CD1 4.14Å; L350-L373 HydrophobicContact CG-CD1 3.49Å; L350-L373 VanDerWaalsContact CG-CD1 3.49Å; L350-W388 HydrophobicContact CD1-CH2 3.61Å; L350-W388 HydrophobicContact CD1-CZ3 4.19Å; L350-W388 HydrophobicContact CD2-CH2 3.39Å; L350-W388 HydrophobicContact CD2-CZ2 3.49Å; L350-W388 VanDerWaalsContact CD2-CZ2 3.49Å; L350-W388 HydrophobicContact CD2-CZ3 4.38Å; L350-W388 HydrophobicContact CG-CH2 4.14Å; L350-L396 HydrophobicContact CD2-CD2 4.35Å; L350-L410 HydrophobicContact CD1-CD1 4.42Å; L350-L410 HydrophobicContact CD1-CD2 4.15Å
351Y91.2Very high83.4Confident6 Ų641.7 Ų41.72%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-117.6124.1174.9-68.5-79.8000109.9F319 E321 W337 L338 V340 K349 T353 P368 E370F319-Y351 HydrophobicContact CE2-CD1 4.32Å; F319-Y351 AromaticContact CE2-CD2 3.99Å; F319-Y351 HydrophobicContact CE2-CD2 3.99Å; F319-Y351 HydrophobicContact CE2-CE1 4.08Å; F319-Y351 AromaticContact CE2-CE2 3.75Å; F319-Y351 HydrophobicContact CE2-CE2 3.75Å; F319-Y351 HydrophobicContact CE2-CG 4.27Å; F319-Y351 AromaticContact CE2-CZ 3.82Å; F319-Y351 HydrophobicContact CZ-CD1 4.44Å; F319-Y351 HydrophobicContact CZ-CD2 4.06Å; F319-Y351 HydrophobicContact CZ-CE2 4.3Å; F319-Y351 HydrophobicContact CZ-CG 4.14Å; E321-Y351 WeakPolarHBondContact OE1-CE2 3.39Å; E321-Y351 VanDerWaalsContact OE1-CZ 3.24Å; E321-Y351 PolarHBondContact OE1-OH 2.69Å; W337-Y351 WeakPolarHBondContact CA-O 3.48Å; L338-Y351 PolarHBondContact N-O 2.86Å; L338-Y351 PolarHBondContact O-N 3.04Å; V340-Y351 HydrophobicContact CB-CD2 4.38Å; V340-Y351 HydrophobicContact CB-CE2 4.22Å; V340-Y351 HydrophobicContact CG2-CD2 3.72Å; V340-Y351 HydrophobicContact CG2-CE2 3.94Å; K349-Y351 HydrophobicContact CB-CE2 3.86Å; K349-Y351 HydrophobicContact CD-CE2 4.33Å; Y351-T353 PolarHBondContact O-N 3.41Å; Y351-P368 HydrophobicContact CD1-CB 3.88Å; Y351-P368 HydrophobicContact CD1-CG 4.06Å; Y351-P368 HydrophobicContact CE1-CB 4.31Å; Y351-P368 HydrophobicContact CE1-CG 3.99Å; Y351-E370 HydrophobicContact CD1-CB 4.32Å; Y351-E370 HydrophobicContact CE1-CB 3.76Å; Y351-E370 HydrophobicContact CE1-CG 3.94Å; Y351-E370 VanDerWaalsContact OH-CD 3.23Å; Y351-E370 PolarHBondContact OH-OE2 3.24Å
352D87.5Confident81.2Confident43 Ų4350.6 Ų50.623%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-81.7104.5161.3-170.7-19.9000108W337 Y354 L369W337-D352 HydrophobicContact CZ2-CB 4.39Å; W337-D352 PolarHBondContact NE1-OD2 3.12Å; D352-Y354 VanDerWaalsContact OD1-CB 3.31Å; D352-Y354 WeakPolarHBondContact OD1-CB 3.39Å; D352-Y354 PolarHBondContact OD1-N 2.87Å; D352-Y354 VanDerWaalsContact OD1-N 3.1Å; D352-L369 HydrophobicContact CB-CB 4.43Å; D352-L369 HydrophobicContact CB-CD2 4.49Å; D352-L369 PolarHBondContact N-O 3.25Å
353T88.3Confident79Confident0 Ų057.1 Ų57.10%030%0.303CS..  trans-94.11.5-175.269.20000113L306 W330 A336 L338 Y351 S355 M356 F357L306-T353 HydrophobicContact CD1-CG2 3.78Å; L306-T353 HydrophobicContact CD2-CG2 4.47Å; W330-T353 HydrophobicContact CH2-CG2 4.31Å; W330-T353 WeakPolarHBondContact CH2-OG1 3.4Å; W330-T353 HydrophobicContact CZ3-CG2 4.31Å; W330-T353 WeakPolarHBondContact CZ3-OG1 3.16Å; A336-T353 WeakPolarHBondContact O-CB 3.4Å; A336-T353 PolarHBondContact O-N 3.32Å; A336-T353 PolarHBondContact O-OG1 3.45Å; L338-T353 HydrophobicContact CB-CG2 4.14Å; Y351-T353 PolarHBondContact O-N 3.41Å; T353-S355 PolarHBondContact O-N 3.26Å; T353-M356 VanDerWaalsContact CA-SD 3.57Å; T353-M356 HydrophobicContact CG2-SD 3.87Å; T353-M356 VanDerWaalsContact O-CB 3.29Å; T353-M356 WeakPolarHBondContact O-CB 3.21Å; T353-M356 PolarHBondContact O-N 3.47Å; T353-F357 VanDerWaalsContact O-CD2 3.28Å; T353-F357 WeakPolarHBondContact O-CD2 3.45Å; T353-F357 PolarHBondContact O-N 2.99Å
354Y83.4Confident76.8Confident113 Ų11360.3 Ų60.344%0.44333%0.325SS..Hα-helixtrans-57.8-46.5-171.6-166.8-91000112.2A336 D352 M356 F357 C358A336-Y354 HydrophobicContact CB-CD2 3.92Å; A336-Y354 HydrophobicContact CB-CG 4.39Å; D352-Y354 VanDerWaalsContact OD1-CB 3.31Å; D352-Y354 WeakPolarHBondContact OD1-CB 3.39Å; D352-Y354 PolarHBondContact OD1-N 2.87Å; D352-Y354 VanDerWaalsContact OD1-N 3.1Å; Y354-M356 PolarHBondContact O-N 2.83Å; Y354-F357 PolarHBondContact O-N 2.78Å; Y354-F357 VanDerWaalsContact O-N 3.1Å; Y354-C358 WeakPolarHBondContact CE1-SG 3.47Å; Y354-C358 PolarHBondContact O-N 2.78Å; Y354-C358 PolarHBondContact O-SG 2.86Å
355S74.8Confident75.1Confident48 Ų4864.8 Ų64.834%0.33634%0.343SS..Hα-helixtrans-59.6-34.4178.466.20000112.9T353 F357 C358 Q366T353-S355 PolarHBondContact O-N 3.26Å; S355-F357 PolarHBondContact O-N 3.09Å; S355-C358 PolarHBondContact O-N 2.73Å; S355-Q366 PolarHBondContact OG-OE1 3.41Å
356M82Confident73.3Confident11 Ų1166.6 Ų66.65%0.05435%0.349CS..Hα-helixtrans-67.7-24.3-178.6-50.2162.180.200111.4L306 V316 Y317 F319 T353 Y354 P368L306-M356 HydrophobicContact CD1-CB 4.3Å; L306-M356 HydrophobicContact CD1-CE 3.61Å; L306-M356 HydrophobicContact CD1-SD 3.8Å; V316-M356 WeakPolarHBondContact CG1-O 3.49Å; Y317-M356 HydrophobicContact CD1-CE 2.9Å; Y317-M356 HydrophobicContact CD2-CE 4.07Å; Y317-M356 HydrophobicContact CE1-CE 3.18Å; Y317-M356 HydrophobicContact CE2-CE 4.3Å; Y317-M356 HydrophobicContact CG-CB 4.48Å; Y317-M356 HydrophobicContact CG-CE 3.37Å; F319-M356 HydrophobicContact CD1-CE 3.95Å; F319-M356 HydrophobicContact CE1-CE 4.1Å; T353-M356 VanDerWaalsContact CA-SD 3.57Å; T353-M356 HydrophobicContact CG2-SD 3.87Å; T353-M356 VanDerWaalsContact O-CB 3.29Å; T353-M356 WeakPolarHBondContact O-CB 3.21Å; T353-M356 PolarHBondContact O-N 3.47Å; Y354-M356 PolarHBondContact O-N 2.83Å; M356-P368 HydrophobicContact CE-CB 4.19Å; M356-P368 HydrophobicContact SD-CB 3.99Å
357F81.9Confident71.9Confident21 Ų2172.1 Ų72.19%0.09237%0.374CS..Hα-helixtrans-92.3-16.5176.8-74.5-77.7000114.7R295 L306 V316 W330 T353 Y354 S355R295-F357 HydrophobicContact CB-CE1 4.5Å; R295-F357 HydrophobicContact CB-CZ 4.49Å; R295-F357 HydrophobicContact CG-CD1 4.36Å; R295-F357 HydrophobicContact CG-CD2 4.27Å; R295-F357 HydrophobicContact CG-CE1 3.72Å; R295-F357 HydrophobicContact CG-CE2 3.62Å; R295-F357 HydrophobicContact CG-CZ 3.31Å; L306-F357 HydrophobicContact CB-CE1 4.39Å; L306-F357 HydrophobicContact CB-CE2 4.32Å; L306-F357 HydrophobicContact CB-CZ 3.7Å; L306-F357 HydrophobicContact CD1-CE2 3.91Å; L306-F357 HydrophobicContact CD1-CZ 4.15Å; L306-F357 HydrophobicContact CG-CZ 4.35Å; V316-F357 HydrophobicContact CB-CD1 4.33Å; V316-F357 HydrophobicContact CB-CE1 4.17Å; V316-F357 HydrophobicContact CG1-CD1 4Å; V316-F357 HydrophobicContact CG1-CE1 4.31Å; V316-F357 HydrophobicContact CG2-CD1 4.08Å; V316-F357 HydrophobicContact CG2-CE1 3.92Å; W330-F357 HydrophobicContact CH2-CE2 4.2Å; T353-F357 VanDerWaalsContact O-CD2 3.28Å; T353-F357 WeakPolarHBondContact O-CD2 3.45Å; T353-F357 PolarHBondContact O-N 2.99Å; Y354-F357 PolarHBondContact O-N 2.78Å; Y354-F357 VanDerWaalsContact O-N 3.1Å; S355-F357 PolarHBondContact O-N 3.09Å
358C72.8Confident70.6Confident81 Ų8172.6 Ų72.655%0.54738%0.377SS..Hα-helixtrans-88.9-21.6-172.1-72.30000114.9Y354 S355Y354-C358 WeakPolarHBondContact CE1-SG 3.47Å; Y354-C358 PolarHBondContact O-N 2.78Å; Y354-C358 PolarHBondContact O-SG 2.86Å; S355-C358 PolarHBondContact O-N 2.73Å
359Q59.4Low69.4Low100 Ų10077.1 Ų77.147%0.46740%0.401SS..SBendtrans-106.4150-169.4-69.3-174.9-19.600113.8
360S53.5Low68.7Low101 Ų10179.8 Ų79.871%0.70641%0.414SS*.  trans-68139.8170.547.70000110.5E362S360-E362 PolarHBondContact O-N 2.93Å
361I53.8Low68.3Low112 Ų11283.8 Ų83.857%0.57443%0.429SS*.THydrogen-bonded Turntrans-54-7.1-167.1-69.8146.7000116.6
362E49.1Very low68.1Low188 Ų18887.6 Ų87.688%0.87945%0.45SS*.THydrogen-bonded Turntrans-975.8-166.5-67.1-175.6170.100116S360S360-E362 PolarHBondContact O-N 2.93Å
363E47.7Very low68.1Low141 Ų14185.9 Ų85.966%0.65944%0.44SS*.SBendtrans-104.9151.8-178.9-90.2-158.1179.400115
364P43.9Very low68.1Low110 Ų11090.9 Ų90.971%0.71446%0.462SS*.  trans-65152.9-162.325.8-34.9000114.2Q366P364-Q366 PolarHBondContact O-N 3.2Å
365E54.3Low68.3Low191 Ų19185.7 Ų85.789%0.89344%0.442SS*.  trans-31.794.2-177.8-73.5-179.1151.300114I367E365-I367 PolarHBondContact O-N 2.95Å
366Q54.1Low68.7Low58 Ų5885 Ų8527%0.27144%0.438SS..  trans-65.9129166.3-77.9-168.64.200108.9Y317 S355 P364 P368Y317-Q366 PolarHBondContact OH-O 3.27Å; S355-Q366 PolarHBondContact OG-OE1 3.41Å; P364-Q366 PolarHBondContact O-N 3.2Å; Q366-P368 WeakPolarHBondContact O-CD 3.33Å
367I60.6Low68.4Low153 Ų15387.7 Ų87.779%0.78546%0.457SS*.  trans-79.7112.2166-57.1171.3000106E365 L369E365-I367 PolarHBondContact O-N 2.95Å; I367-L369 PolarHBondContact O-N 3.39Å
368P64.4Low67.9Low21 Ų2196.2 Ų96.214%0.13649%0.489CS..  trans-61.3141-179.528.1-35.3000109.6Y351 M356 Q366 E370Y351-P368 HydrophobicContact CD1-CB 3.88Å; Y351-P368 HydrophobicContact CD1-CG 4.06Å; Y351-P368 HydrophobicContact CE1-CB 4.31Å; Y351-P368 HydrophobicContact CE1-CG 3.99Å; M356-P368 HydrophobicContact CE-CB 4.19Å; M356-P368 HydrophobicContact SD-CB 3.99Å; Q366-P368 WeakPolarHBondContact O-CD 3.33Å; P368-E370 PolarHBondContact O-N 3.46Å
369L68Low67.9Low95 Ų9594 Ų9450%0.49747%0.474SS..EExtended strand (participates in β ladder)trans-70.194.2-179.1-177.468.8000109.4D352 I367D352-L369 HydrophobicContact CB-CB 4.43Å; D352-L369 HydrophobicContact CB-CD2 4.49Å; D352-L369 PolarHBondContact N-O 3.25Å; I367-L369 PolarHBondContact O-N 3.39Å
370E80.1Confident68.9Low82 Ų8296.2 Ų96.238%0.38349%0.489SS..EExtended strand (participates in β ladder)trans-85.5134.2178.6-176.3178166.200111.3K349 L350 Y351 P368 L372K349-E370 VanDerWaalsContact CD-OE1 3.28Å; K349-E370 WeakPolarHBondContact CD-OE1 3.45Å; K349-E370 WeakPolarHBondContact CE-OE1 3.27Å; K349-E370 IonicContact NZ-OE1 2.9Å; K349-E370 PolarHBondContact NZ-OE1 2.76Å; K349-E370 IonicContact NZ-OE2 2.94Å; L350-E370 CarbonylContact O-C 3.57Å; L350-E370 WeakPolarHBondContact O-CA 3.42Å; Y351-E370 HydrophobicContact CD1-CB 4.32Å; Y351-E370 HydrophobicContact CE1-CB 3.76Å; Y351-E370 HydrophobicContact CE1-CG 3.94Å; Y351-E370 VanDerWaalsContact OH-CD 3.23Å; Y351-E370 PolarHBondContact OH-OE2 3.24Å; P368-E370 PolarHBondContact O-N 3.46Å; E370-L372 WeakPolarHBondContact OE1-CD2 3.24Å
371R83.4Confident70.5Confident84 Ų8493.1 Ų93.132%0.31747%0.466SS..EExtended strand (participates in β ladder)trans-125.7137.8166.8-64.6-169175100.3-9.1110.6K349 L350K349-R371 CarbonylContact C-O 3.56Å; K349-R371 WeakPolarHBondContact CA-O 3.24Å; L350-R371 HydrophobicContact CB-CB 4.4Å; L350-R371 PolarHBondContact N-O 3.31Å; L350-R371 PolarHBondContact O-N 2.76Å
372L86.5Confident72.3Confident87 Ų8789.7 Ų89.746%0.45545%0.449SS..EExtended strand (participates in β ladder)trans-98.9125.8176.8-60.9179.7000110.6K349 E370 F374K349-L372 HydrophobicContact CB-CD2 4.45Å; K349-L372 HydrophobicContact CD-CD2 4.28Å; K349-L372 HydrophobicContact CG-CD2 3.67Å; E370-L372 WeakPolarHBondContact OE1-CD2 3.24Å; L372-F374 HydrophobicContact CB-CE2 4.02Å
373L88.5Confident74.4Confident6 Ų680.8 Ų80.83%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-107.6123.3178-93.1158.8000111.9T347 V348 L350 L396 A408 Q409 L410T347-L373 VanDerWaalsContact CA-O 3.25Å; T347-L373 WeakPolarHBondContact CA-O 3.44Å; T347-L373 VanDerWaalsContact CB-O 3.24Å; T347-L373 WeakPolarHBondContact CB-O 3.45Å; V348-L373 HydrophobicContact CB-CB 4.44Å; V348-L373 PolarHBondContact N-O 3.41Å; V348-L373 WeakPolarHBondContact O-CB 3.43Å; V348-L373 PolarHBondContact O-N 3.44Å; L350-L373 HydrophobicContact CD1-CD1 3.21Å; L350-L373 HydrophobicContact CD1-CG 4.49Å; L350-L373 HydrophobicContact CD2-CD1 4.14Å; L350-L373 HydrophobicContact CG-CD1 3.49Å; L350-L373 VanDerWaalsContact CG-CD1 3.49Å; L373-L396 HydrophobicContact CD1-CD1 3.42Å; L373-L396 VanDerWaalsContact CD1-CD1 3.42Å; L373-A408 HydrophobicContact CB-CB 4.31Å; L373-A408 HydrophobicContact CD2-CB 4.23Å; L373-Q409 WeakPolarHBondContact CD2-O 3.39Å; L373-L410 HydrophobicContact CD1-CB 4.12Å; L373-L410 HydrophobicContact CD1-CD1 4.45Å; L373-L410 HydrophobicContact CD2-CB 4.34Å
374F88.5Confident76.6Confident106 Ų10675.1 Ų75.147%0.46538%0.382SS..  trans-102.1137.2178.1-64.2-97.2000109.9T347 L372T347-F374 HydrophobicContact CG2-CD1 3.27Å; T347-F374 HydrophobicContact CG2-CD2 4.14Å; T347-F374 HydrophobicContact CG2-CE1 3.18Å; T347-F374 HydrophobicContact CG2-CE2 4.06Å; T347-F374 HydrophobicContact CG2-CG 3.77Å; T347-F374 HydrophobicContact CG2-CZ 3.6Å; L372-F374 HydrophobicContact CB-CE2 4.02Å
375P87.6Confident79Confident3 Ų369.9 Ų69.92%0.01935%0.348CS..BIsolated β-bridgetrans-53.6145.4163.9-23.533.3000111.2C346 S377 R378 L383 N406C346-P375 WeakPolarHBondContact O-CD 3.39Å; P375-S377 VanDerWaalsContact C-N 3.25Å; P375-S377 PolarHBondContact O-N 3.03Å; P375-R378 PolarHBondContact O-N 3.06Å; P375-L383 HydrophobicContact CG-CD1 4.23Å; P375-L383 HydrophobicContact CG-CD2 3.97Å; P375-N406 HydrophobicContact CB-CB 4.04Å
376S83Confident80.9Confident35 Ų3560.8 Ų60.825%0.24531%0.306CS..THydrogen-bonded Turntrans-61.9-30.6-176.8-66.50000113.4S49 R378 N406 V407S49-S376 PolarHBondContact N-OG 3.19Å; S376-R378 PolarHBondContact O-N 3.48Å; S376-N406 WeakPolarHBondContact CB-OD1 3.36Å; S376-N406 PolarHBondContact N-OD1 3.38Å; S376-V407 WeakPolarHBondContact CB-O 3.37Å; S376-V407 PolarHBondContact N-O 2.94Å; S376-V407 PolarHBondContact OG-O 3.25Å
377S75.6Confident82.9Confident66 Ų6658.7 Ų58.746%0.46230%0.297SS..THydrogen-bonded Turntrans-66-18.2173.357.40000114P375 S379 N406P375-S377 VanDerWaalsContact C-N 3.25Å; P375-S377 PolarHBondContact O-N 3.03Å; S377-S379 PolarHBondContact O-N 2.92Å; S377-S379 VanDerWaalsContact O-N 3.12Å; S377-N406 VanDerWaalsContact CB-ND2 3.27Å; S377-N406 WeakPolarHBondContact CB-ND2 3.31Å; S377-N406 PolarHBondContact OG-ND2 2.8Å
378R70.6Confident84.5Confident201 Ų20151.8 Ų51.876%0.75826%0.261SS*.  trans49.132.3-171.1-59.7-174.1177.2-134.82.2113.3P375 S376 N380P375-R378 PolarHBondContact O-N 3.06Å; S376-R378 PolarHBondContact O-N 3.48Å; R378-N380 PolarHBondContact O-N 3.27Å
379S73.3Confident85.9Confident33 Ų3351.2 Ų51.223%0.23126%0.257CS..  trans-62.9134174.662.60000109.9S377 V381S377-S379 PolarHBondContact O-N 2.92Å; S377-S379 VanDerWaalsContact O-N 3.12Å; S379-V381 PolarHBondContact O-N 2.89Å
380N79.9Confident86.8Confident147 Ų14748.4 Ų48.479%0.78624%0.244SC*.  trans-76.620.8172.7-70.1-17000112.8R378R378-N380 PolarHBondContact O-N 3.27Å
381V87Confident87.1Confident37 Ų3748 Ų4822%0.22425%0.25CS..SBendtrans-87.7133.7179.4-177.10000108.4S379 N400 R401 D402S379-V381 PolarHBondContact O-N 2.89Å; V381-N400 HydrophobicContact CB-CB 4.21Å; V381-N400 HydrophobicContact CG1-CB 3.86Å; V381-R401 HydrophobicContact CG1-CB 4.19Å; V381-D402 HydrophobicContact CG1-CB 4.46Å; V381-D402 WeakPolarHBondContact CG1-OD2 3.1Å; V381-D402 WeakPolarHBondContact CG2-OD2 3.44Å
382N91.9Very high87.2Confident39 Ų3946 Ų4621%0.20925%0.246CC..PPolyproline II helixtrans-63.9138.6-177.3-60.4-6.5000110.7D344 S345 N400 R401D344-N382 VanDerWaalsContact CA-ND2 3.34Å; D344-N382 WeakPolarHBondContact CA-ND2 3.1Å; D344-N382 WeakPolarHBondContact CB-ND2 3.25Å; D344-N382 PolarHBondContact O-OD1 3.05Å; D344-N382 PolarHBondContact OD1-ND2 2.86Å; D344-N382 VanDerWaalsContact OD1-ND2 3.08Å; S345-N382 WeakPolarHBondContact O-CA 3.15Å; N382-N400 CarbonylContact O-C 3.56Å; N382-N400 WeakPolarHBondContact O-CA 3.25Å; N382-R401 HydrophobicContact CB-CG 4.33Å; N382-R401 PolarHBondContact ND2-NH1 2.75Å; N382-R401 PolarHBondContact O-N 2.78Å
383L94Very high86.9Confident2 Ų244.2 Ų44.21%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-77.6147.5174.8-62.9-178.6000110.3L341 S345 V348 P375 T398 L399 N400L341-L383 HydrophobicContact CD1-CB 3.74Å; L341-L383 HydrophobicContact CD1-CD1 4.41Å; L341-L383 HydrophobicContact CD2-CB 4.38Å; S345-L383 PolarHBondContact O-N 2.89Å; V348-L383 HydrophobicContact CG2-CD1 3.87Å; P375-L383 HydrophobicContact CG-CD1 4.23Å; P375-L383 HydrophobicContact CG-CD2 3.97Å; L383-T398 HydrophobicContact CD1-CG2 4.14Å; L383-L399 WeakPolarHBondContact CA-O 3.27Å; L383-N400 HydrophobicContact CD2-CB 4.04Å
384V93Very high86.7Confident22 Ų2245 Ų4513%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-118.3-27177.5-65.80000112.8Y7 L399 R401Y7-V384 HydrophobicContact CD1-CB 4.45Å; Y7-V384 HydrophobicContact CD1-CG2 3.93Å; Y7-V384 HydrophobicContact CD2-CB 3.89Å; Y7-V384 HydrophobicContact CD2-CG1 4.24Å; Y7-V384 HydrophobicContact CD2-CG2 4.27Å; Y7-V384 HydrophobicContact CE2-CG1 4.41Å; Y7-V384 HydrophobicContact CG-CB 3.83Å; Y7-V384 HydrophobicContact CG-CG1 4.48Å; Y7-V384 HydrophobicContact CG-CG2 3.71Å; V384-L399 HydrophobicContact CG2-CB 4.2Å; V384-L399 HydrophobicContact CG2-CD2 3.9Å; V384-L399 HydrophobicContact CG2-CG 3.76Å; V384-L399 WeakPolarHBondContact CG2-O 3.44Å; V384-L399 PolarHBondContact N-O 2.77Å; V384-R401 HydrophobicContact CG1-CB 4.22Å; V384-R401 HydrophobicContact CG1-CG 3.35Å
385A94.1Very high86.9Confident0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-154158.3177.700000111.2I9 L399I9-A385 HydrophobicContact CG1-CB 4.4Å; A385-L399 HydrophobicContact CB-CB 4.34Å; A385-L399 PolarHBondContact N-O 3.32Å; A385-L399 PolarHBondContact O-N 2.85Å
386F95.8Very high87.2Confident0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-145.2162.7169.777.1-80.9000111.3Q327 K329 G339 L341 V348 W388 L396 L397 T398Q327-F386 HydrophobicContact CB-CE1 4.34Å; Q327-F386 HydrophobicContact CG-CE1 4.31Å; Q327-F386 PolarHBondContact OE1-O 3.12Å; K329-F386 HydrophobicContact CB-CE2 4.03Å; K329-F386 HydrophobicContact CB-CZ 3.91Å; K329-F386 HydrophobicContact CG-CZ 4.35Å; K329-F386 PolarHBondContact NZ-O 2.91Å; G339-F386 WeakPolarHBondContact O-CZ 3.19Å; L341-F386 HydrophobicContact CB-CD1 3.74Å; L341-F386 HydrophobicContact CB-CE1 3.76Å; L341-F386 HydrophobicContact CD2-CD1 4.3Å; V348-F386 HydrophobicContact CG1-CD1 4.25Å; V348-F386 HydrophobicContact CG1-CD2 4.01Å; V348-F386 HydrophobicContact CG1-CE1 4.31Å; V348-F386 HydrophobicContact CG1-CE2 4.06Å; V348-F386 HydrophobicContact CG1-CG 4.11Å; V348-F386 HydrophobicContact CG1-CZ 4.22Å; V348-F386 HydrophobicContact CG2-CB 3.85Å; V348-F386 HydrophobicContact CG2-CD1 4.27Å; V348-F386 HydrophobicContact CG2-CD2 4.47Å; V348-F386 HydrophobicContact CG2-CG 3.95Å; F386-W388 AromaticContact CE2-NE1 3.99Å; F386-L396 HydrophobicContact CD2-CD2 3.67Å; F386-L396 HydrophobicContact CE2-CD2 4.03Å; F386-L397 CarbonylContact C-O 3.37Å; F386-L397 WeakPolarHBondContact CA-O 3.2Å; F386-L397 WeakPolarHBondContact CB-O 3.48Å; F386-T398 HydrophobicContact CB-CG2 4.37Å
387S95.1Very high87.7Confident13 Ų1338.2 Ų38.29%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-149.2140.7167.3-169.80000111.5I9 W11 L396 L397I9-S387 WeakPolarHBondContact O-CB 3.4Å; W11-S387 PolarHBondContact NE1-OG 2.96Å; W11-S387 VanDerWaalsContact NE1-OG 3.16Å; S387-L396 CarbonylContact O-C 3.55Å; S387-L396 VanDerWaalsContact O-CA 3.32Å; S387-L396 WeakPolarHBondContact O-CA 3.41Å; S387-L397 PolarHBondContact N-O 3.25Å; S387-L397 PolarHBondContact O-N 3.33Å
388W94.7Very high88.7Confident9 Ų935.1 Ų35.13%0.03418%0.184CC..EExtended strand (participates in β ladder)trans-61.6141.2167.5-62.698.4000110.7W11 K329 W330 P332 W337 L350 F386 L396W11-W388 PolarHBondContact NE1-O 3.11Å; K329-W388 PolarHBondContact O-NE1 3.15Å; W330-W388 VanDerWaalsContact O-CD1 3.24Å; W330-W388 PolarHBondContact O-NE1 3.19Å; P332-W388 HydrophobicContact CG-CB 3.98Å; W337-W388 HydrophobicContact CE3-CH2 4.45Å; L350-W388 HydrophobicContact CD1-CH2 3.61Å; L350-W388 HydrophobicContact CD1-CZ3 4.19Å; L350-W388 HydrophobicContact CD2-CH2 3.39Å; L350-W388 HydrophobicContact CD2-CZ2 3.49Å; L350-W388 VanDerWaalsContact CD2-CZ2 3.49Å; L350-W388 HydrophobicContact CD2-CZ3 4.38Å; L350-W388 HydrophobicContact CG-CH2 4.14Å; F386-W388 AromaticContact CE2-NE1 3.99Å; W388-L396 HydrophobicContact CD2-CD2 3.72Å; W388-L396 HydrophobicContact CD2-CG 4.14Å; W388-L396 HydrophobicContact CE3-CD1 4.24Å; W388-L396 HydrophobicContact CE3-CD2 3.79Å; W388-L396 HydrophobicContact CE3-CG 3.78Å; W388-L396 HydrophobicContact CG-CD2 4.3Å; W388-L396 HydrophobicContact CH2-CD2 4.3Å; W388-L396 HydrophobicContact CZ2-CD2 4.22Å; W388-L396 HydrophobicContact CZ3-CD1 4.11Å; W388-L396 HydrophobicContact CZ3-CD2 4.08Å; W388-L396 HydrophobicContact CZ3-CG 4.13Å
389H93.5Very high89.8Confident9 Ų925.6 Ų25.64%0.04215%0.149CC..  trans-72134.4169.4-167.6-85.2000109.6W11 S16 S391 N392 C395W11-H389 AromaticContact CH2-CD2 3.42Å; W11-H389 VanDerWaalsContact CH2-CD2 3.42Å; W11-H389 WeakPolarHBondContact CH2-CD2 3.31Å; W11-H389 AromaticContact CH2-NE2 3.86Å; W11-H389 AromaticContact CZ2-CD2 3.8Å; S16-H389 PolarHBondContact O-NE2 3.25Å; H389-S391 VanDerWaalsContact C-N 3.34Å; H389-S391 PolarHBondContact CE1-OG 3.42Å; H389-S391 PolarHBondContact ND1-N 2.93Å; H389-S391 PolarHBondContact ND1-OG 3.42Å; H389-S391 PolarHBondContact O-N 2.9Å; H389-N392 HydrophobicContact CB-CB 4.09Å; H389-N392 VanDerWaalsContact ND1-CB 3.32Å; H389-N392 WeakPolarHBondContact ND1-CB 3.18Å; H389-N392 PolarHBondContact ND1-N 3.2Å; H389-C395 HydrophobicContact CB-CB 3.79Å; H389-C395 WeakPolarHBondContact CB-O 3.41Å; H389-C395 PolarHBondContact N-O 3.32Å
390P87.6Confident90.7Very high35 Ų3524.4 Ų24.423%0.22714%0.14CC..SBendtrans-73-23.4-170.727.5-36000113.9W11 L333W11-P390 HydrophobicContact CB-CG 4.27Å; W11-P390 VanDerWaalsContact CD2-CD 3.42Å; W11-P390 HydrophobicContact CD2-CG 3.91Å; W11-P390 HydrophobicContact CE3-CG 3.8Å; W11-P390 HydrophobicContact CG-CG 4.13Å; W11-P390 HydrophobicContact CZ3-CG 4.41Å; L333-P390 WeakPolarHBondContact CD1-O 3.49Å; L333-P390 WeakPolarHBondContact CD2-O 3.24Å
391S84.6Confident91.1Very high74 Ų7423 Ų2352%0.51712%0.123SC..SBendtrans-119.5-5.4179.867.20000115.2S16 L333 H389S16-S391 WeakPolarHBondContact CB-OG 3.08Å; L333-S391 VanDerWaalsContact CD1-C 3.49Å; H389-S391 VanDerWaalsContact C-N 3.34Å; H389-S391 PolarHBondContact CE1-OG 3.42Å; H389-S391 PolarHBondContact ND1-N 2.93Å; H389-S391 PolarHBondContact ND1-OG 3.42Å; H389-S391 PolarHBondContact O-N 2.9Å
392N86.1Confident91.2Very high41 Ų4126.4 Ų26.422%0.21914%0.14CC..  trans-117104.3-176.2-171-30.7000108.9L51 H389 N394 C395L51-N392 WeakPolarHBondContact CD1-ND2 3.45Å; H389-N392 HydrophobicContact CB-CB 4.09Å; H389-N392 VanDerWaalsContact ND1-CB 3.32Å; H389-N392 WeakPolarHBondContact ND1-CB 3.18Å; H389-N392 PolarHBondContact ND1-N 3.2Å; N392-N394 PolarHBondContact O-N 2.75Å; N392-C395 HydrophobicContact CB-CB 3.75Å; N392-C395 PolarHBondContact O-N 2.79Å; N392-C395 VanDerWaalsContact O-N 3.15Å
393I81.1Confident91Very high51 Ų5126 Ų2626%0.26215%0.145SC..THydrogen-bonded Turntrans-56.8-28.9-165.7-164.6173.7000114.5L333 R334 T429L333-I393 HydrophobicContact CB-CB 4.39Å; L333-I393 HydrophobicContact CB-CG1 3.99Å; L333-I393 HydrophobicContact CD1-CB 4.25Å; R334-I393 HydrophobicContact CG-CD1 3.85Å; R334-I393 HydrophobicContact CG-CG1 3.61Å; I393-T429 HydrophobicContact CD1-CG2 4.28Å
394N84.7Confident90.7Very high23 Ų2329.1 Ų29.112%0.12317%0.167CC..THydrogen-bonded Turntrans-114.320.8-173.3-75-19.4000112.6R334 N392 Q409 L410R334-N394 PolarHBondContact NH2-OD1 2.94Å; R334-N394 VanDerWaalsContact NH2-OD1 3.16Å; N392-N394 PolarHBondContact O-N 2.75Å; N394-Q409 CarbonylContact O-C 3.57Å; N394-Q409 WeakPolarHBondContact O-CA 3.49Å; N394-L410 HydrophobicContact CB-CB 4.08Å; N394-L410 WeakPolarHBondContact CB-O 3.34Å; N394-L410 PolarHBondContact O-N 2.79Å
395C90.9Very high90.7Very high0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-121.8134.4-172.7-175.10000111.6L51 H389 N392L51-C395 HydrophobicContact CD1-CB 4.47Å; H389-C395 HydrophobicContact CB-CB 3.79Å; H389-C395 WeakPolarHBondContact CB-O 3.41Å; H389-C395 PolarHBondContact N-O 3.32Å; N392-C395 HydrophobicContact CB-CB 3.75Å; N392-C395 PolarHBondContact O-N 2.79Å; N392-C395 VanDerWaalsContact O-N 3.15Å
396L93.9Very high90.6Very high0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-127145.3168.7-5396.3000109.7V348 L350 L373 F386 S387 W388 V407 A408V348-L396 HydrophobicContact CG1-CD2 4.43Å; L350-L396 HydrophobicContact CD2-CD2 4.35Å; L373-L396 HydrophobicContact CD1-CD1 3.42Å; L373-L396 VanDerWaalsContact CD1-CD1 3.42Å; F386-L396 HydrophobicContact CD2-CD2 3.67Å; F386-L396 HydrophobicContact CE2-CD2 4.03Å; S387-L396 CarbonylContact O-C 3.55Å; S387-L396 VanDerWaalsContact O-CA 3.32Å; S387-L396 WeakPolarHBondContact O-CA 3.41Å; W388-L396 HydrophobicContact CD2-CD2 3.72Å; W388-L396 HydrophobicContact CD2-CG 4.14Å; W388-L396 HydrophobicContact CE3-CD1 4.24Å; W388-L396 HydrophobicContact CE3-CD2 3.79Å; W388-L396 HydrophobicContact CE3-CG 3.78Å; W388-L396 HydrophobicContact CG-CD2 4.3Å; W388-L396 HydrophobicContact CH2-CD2 4.3Å; W388-L396 HydrophobicContact CZ2-CD2 4.22Å; W388-L396 HydrophobicContact CZ3-CD1 4.11Å; W388-L396 HydrophobicContact CZ3-CD2 4.08Å; W388-L396 HydrophobicContact CZ3-CG 4.13Å; L396-V407 WeakPolarHBondContact O-CA 3.19Å; L396-A408 PolarHBondContact N-O 3.16Å; L396-A408 PolarHBondContact O-N 3.43Å
397L95.5Very high90.5Very high0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-91.4140.9161.5-66-174.8000109.6I9 W11 F19 I47 F386 S387 N406 V407I9-L397 HydrophobicContact CD1-CB 4.12Å; I9-L397 HydrophobicContact CG2-CB 4.48Å; W11-L397 HydrophobicContact CH2-CD1 3.58Å; W11-L397 HydrophobicContact CH2-CG 4.28Å; W11-L397 HydrophobicContact CZ2-CD1 3.27Å; W11-L397 HydrophobicContact CZ2-CG 3.73Å; F19-L397 HydrophobicContact CD1-CD1 4.19Å; F19-L397 HydrophobicContact CD2-CD1 4.12Å; F19-L397 HydrophobicContact CE1-CD1 3.85Å; F19-L397 HydrophobicContact CE2-CD1 3.73Å; F19-L397 HydrophobicContact CG-CD1 4.32Å; F19-L397 HydrophobicContact CZ-CD1 3.59Å; I47-L397 HydrophobicContact CD1-CD2 3.86Å; F386-L397 CarbonylContact C-O 3.37Å; F386-L397 WeakPolarHBondContact CA-O 3.2Å; F386-L397 WeakPolarHBondContact CB-O 3.48Å; S387-L397 PolarHBondContact N-O 3.25Å; S387-L397 PolarHBondContact O-N 3.33Å; L397-N406 WeakPolarHBondContact CA-O 3.26Å; L397-V407 HydrophobicContact CD2-CG2 4.1Å
398T95.1Very high90.3Very high1 Ų129.3 Ų29.31%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-127142.1-17955.10000109.4V348 L383 F386 L405 N406 A408V348-T398 HydrophobicContact CG2-CG2 4.06Å; L383-T398 HydrophobicContact CD1-CG2 4.14Å; F386-T398 HydrophobicContact CB-CG2 4.37Å; T398-L405 WeakPolarHBondContact O-CA 3.2Å; T398-N406 PolarHBondContact N-O 2.94Å; T398-N406 PolarHBondContact O-N 3.46Å; T398-N406 PolarHBondContact OG1-O 3.03Å; T398-N406 VanDerWaalsContact OG1-O 3.05Å; T398-A408 HydrophobicContact CG2-CB 3.89Å
399L94.4Very high89.9Confident1 Ų131.4 Ų31.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-120.6128.3174.5-179.867.7000108.5Y7 I9 V21 L383 V384 A385 L405Y7-L399 HydrophobicContact CD1-CD2 4.48Å; I9-L399 HydrophobicContact CD1-CB 3.92Å; I9-L399 HydrophobicContact CG1-CB 4.3Å; V21-L399 HydrophobicContact CG1-CD1 4.42Å; V21-L399 HydrophobicContact CG1-CD2 3.95Å; L383-L399 WeakPolarHBondContact CA-O 3.27Å; V384-L399 HydrophobicContact CG2-CB 4.2Å; V384-L399 HydrophobicContact CG2-CD2 3.9Å; V384-L399 HydrophobicContact CG2-CG 3.76Å; V384-L399 WeakPolarHBondContact CG2-O 3.44Å; V384-L399 PolarHBondContact N-O 2.77Å; A385-L399 HydrophobicContact CB-CB 4.34Å; A385-L399 PolarHBondContact N-O 3.32Å; A385-L399 PolarHBondContact O-N 2.85Å; L399-L405 HydrophobicContact CB-CD2 4.36Å; L399-L405 HydrophobicContact CD1-CD2 4.04Å; L399-L405 HydrophobicContact CD1-CG 4.16Å
400N92Very high89.3Confident8 Ų831.4 Ų31.44%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-96.8170.2176.777.94.3000112.5V381 N382 L383 D402 G403 C404V381-N400 HydrophobicContact CB-CB 4.21Å; V381-N400 HydrophobicContact CG1-CB 3.86Å; N382-N400 CarbonylContact O-C 3.56Å; N382-N400 WeakPolarHBondContact O-CA 3.25Å; L383-N400 HydrophobicContact CD2-CB 4.04Å; N400-D402 PolarHBondContact O-N 2.87Å; N400-D402 PolarHBondContact OD1-N 2.94Å; N400-D402 VanDerWaalsContact OD1-N 3.12Å; N400-G403 PolarHBondContact O-N 2.91Å; N400-G403 PolarHBondContact OD1-N 2.82Å; N400-G403 VanDerWaalsContact OD1-N 3.12Å; N400-C404 PolarHBondContact N-O 3.47Å; N400-C404 WeakPolarHBondContact OD1-CB 3.13Å; N400-C404 PolarHBondContact OD1-N 3.41Å
401R89Confident88.5Confident118 Ų11833.6 Ų33.645%0.44519%0.189SC..THydrogen-bonded Turntrans-57.2-28.4178.9-79.3-172.4177.7163.23.7113.9D344 V381 N382 V384 G403D344-R401 IonicContact OD1-CZ 2.73Å; D344-R401 VanDerWaalsContact OD1-CZ 3.23Å; D344-R401 IonicContact OD1-NH1 2.91Å; D344-R401 PolarHBondContact OD1-NH1 3Å; D344-R401 IonicContact OD1-NH2 3.98Å; D344-R401 PolarHBondContact OD1-NH2 2.9Å; V381-R401 HydrophobicContact CG1-CB 4.19Å; N382-R401 HydrophobicContact CB-CG 4.33Å; N382-R401 PolarHBondContact ND2-NH1 2.75Å; N382-R401 PolarHBondContact O-N 2.78Å; V384-R401 HydrophobicContact CG1-CB 4.22Å; V384-R401 HydrophobicContact CG1-CG 3.35Å; R401-G403 PolarHBondContact O-N 2.91Å
402D87.9Confident87.6Confident108 Ų10832.6 Ų32.658%0.57818%0.176SC*.THydrogen-bonded Turntrans-81.6-2.6179.2-60.4-23.6000112.8V381 N400V381-D402 HydrophobicContact CG1-CB 4.46Å; V381-D402 WeakPolarHBondContact CG1-OD2 3.1Å; V381-D402 WeakPolarHBondContact CG2-OD2 3.44Å; N400-D402 PolarHBondContact O-N 2.87Å; N400-D402 PolarHBondContact OD1-N 2.94Å; N400-D402 VanDerWaalsContact OD1-N 3.12Å
403G87.5Confident86.4Confident30 Ų3041.6 Ų41.631%0.30921%0.207SC..  trans84.99-178.700000114.4N400 R401N400-G403 PolarHBondContact O-N 2.91Å; N400-G403 PolarHBondContact OD1-N 2.82Å; N400-G403 VanDerWaalsContact OD1-N 3.12Å; R401-G403 PolarHBondContact O-N 2.91Å
404C88.4Confident85.7Confident69 Ų6942.5 Ų42.547%0.46622%0.216SC..  trans-79.4125.5177.6-57.60000111N400N400-C404 PolarHBondContact N-O 3.47Å; N400-C404 WeakPolarHBondContact OD1-CB 3.13Å; N400-C404 PolarHBondContact OD1-N 3.41Å
405L92.8Very high84.9Confident14 Ų1444.5 Ų44.57%0.07324%0.236CC..EExtended strand (participates in β ladder)trans-84.1140.5170.1-73.4160.6000110.9I9 F19 V21 F30 L55 T398 L399I9-L405 HydrophobicContact CD1-CD2 4.01Å; F19-L405 HydrophobicContact CE2-CD1 4.31Å; F19-L405 HydrophobicContact CE2-CD2 4.43Å; F19-L405 HydrophobicContact CZ-CD1 4.42Å; V21-L405 HydrophobicContact CG2-CD1 3.99Å; V21-L405 HydrophobicContact CG2-CD2 3.93Å; F30-L405 HydrophobicContact CD2-CD1 4.08Å; F30-L405 HydrophobicContact CE1-CD1 4.45Å; F30-L405 HydrophobicContact CE2-CD1 3.64Å; F30-L405 HydrophobicContact CZ-CD1 3.86Å; L55-L405 HydrophobicContact CD2-CB 4.19Å; L55-L405 HydrophobicContact CD2-CD1 3.65Å; T398-L405 WeakPolarHBondContact O-CA 3.2Å; L399-L405 HydrophobicContact CB-CD2 4.36Å; L399-L405 HydrophobicContact CD1-CD2 4.04Å; L399-L405 HydrophobicContact CD1-CG 4.16Å
406N92.7Very high84.3Confident24 Ų2450.3 Ų50.313%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-151.4165.5175.4-140.6-63.3000113.1P375 S376 S377 L397 T398P375-N406 HydrophobicContact CB-CB 4.04Å; S376-N406 WeakPolarHBondContact CB-OD1 3.36Å; S376-N406 PolarHBondContact N-OD1 3.38Å; S377-N406 VanDerWaalsContact CB-ND2 3.27Å; S377-N406 WeakPolarHBondContact CB-ND2 3.31Å; S377-N406 PolarHBondContact OG-ND2 2.8Å; L397-N406 WeakPolarHBondContact CA-O 3.26Å; T398-N406 PolarHBondContact N-O 2.94Å; T398-N406 PolarHBondContact O-N 3.46Å; T398-N406 PolarHBondContact OG1-O 3.03Å; T398-N406 VanDerWaalsContact OG1-O 3.05Å
407V92.4Very high83.4Confident0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-98.4127.6177-1770000109.9I47 F53 S376 L396 L397I47-V407 HydrophobicContact CB-CG2 4.33Å; I47-V407 HydrophobicContact CD1-CG2 3.92Å; I47-V407 HydrophobicContact CG1-CG2 3.87Å; F53-V407 HydrophobicContact CD2-CG2 3.66Å; F53-V407 HydrophobicContact CE2-CG1 4.34Å; F53-V407 HydrophobicContact CE2-CG2 4.04Å; S376-V407 WeakPolarHBondContact CB-O 3.37Å; S376-V407 PolarHBondContact N-O 2.94Å; S376-V407 PolarHBondContact OG-O 3.25Å; L396-V407 WeakPolarHBondContact O-CA 3.19Å; L397-V407 HydrophobicContact CD2-CG2 4.1Å
408A90.8Very high82.8Confident0 Ų060.8 Ų60.80%032%0.316CS..EExtended strand (participates in β ladder)trans-108.6122.3165.700000108.8L373 L396 T398L373-A408 HydrophobicContact CB-CB 4.31Å; L373-A408 HydrophobicContact CD2-CB 4.23Å; L396-A408 PolarHBondContact N-O 3.16Å; L396-A408 PolarHBondContact O-N 3.43Å; T398-A408 HydrophobicContact CG2-CB 3.89Å
409Q86.3Confident82Confident53 Ų5362.4 Ų62.425%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-114.6126.4-175.5-174.2-177.56.900111.6K50 L51 L373 N394 V411K50-Q409 VanDerWaalsContact CB-OE1 3.26Å; L51-Q409 HydrophobicContact CD1-CG 4.04Å; L373-Q409 WeakPolarHBondContact CD2-O 3.39Å; N394-Q409 CarbonylContact O-C 3.57Å; N394-Q409 WeakPolarHBondContact O-CA 3.49Å; Q409-V411 PolarHBondContact O-N 2.89Å
410L82Confident81.2Confident9 Ų967.7 Ų67.75%0.04737%0.372CS..  trans-76.5107.5170.6-179.466.8000109.4W337 L350 L373 N394 E412W337-L410 HydrophobicContact CE3-CD2 4.44Å; W337-L410 HydrophobicContact CH2-CD2 3.62Å; W337-L410 HydrophobicContact CZ3-CD2 3.4Å; W337-L410 VanDerWaalsContact CZ3-CD2 3.4Å; L350-L410 HydrophobicContact CD1-CD1 4.42Å; L350-L410 HydrophobicContact CD1-CD2 4.15Å; L373-L410 HydrophobicContact CD1-CB 4.12Å; L373-L410 HydrophobicContact CD1-CD1 4.45Å; L373-L410 HydrophobicContact CD2-CB 4.34Å; N394-L410 HydrophobicContact CB-CB 4.08Å; N394-L410 WeakPolarHBondContact CB-O 3.34Å; N394-L410 PolarHBondContact O-N 2.79Å; L410-E412 HydrophobicContact CD2-CG 4.33Å; L410-E412 HydrophobicContact CG-CG 4.31Å; L410-E412 PolarHBondContact O-N 3.02Å
411V71.1Confident80.3Confident81 Ų8173 Ų7349%0.49140%0.4SS..  trans-86.7103171.6-177.10000108Q409Q409-V411 PolarHBondContact O-N 2.89Å
412E64.2Low79.9Confident53 Ų5372.8 Ų72.825%0.24840%0.404CS..  trans-72.5132.4168.8-60.9-162.1129.400109.6R334 L410 P414R334-E412 IonicContact CZ-OE1 2.71Å; R334-E412 IonicContact CZ-OE2 2.98Å; R334-E412 IonicContact NH1-OE1 3.55Å; R334-E412 PolarHBondContact NH1-OE1 3.17Å; R334-E412 IonicContact NH2-OE1 3.99Å; R334-E412 PolarHBondContact NH2-OE1 2.83Å; R334-E412 IonicContact NH2-OE2 2.92Å; R334-E412 PolarHBondContact NH2-OE2 2.78Å; L410-E412 HydrophobicContact CD2-CG 4.33Å; L410-E412 HydrophobicContact CG-CG 4.31Å; L410-E412 PolarHBondContact O-N 3.02Å; E412-P414 WeakPolarHBondContact O-CD 3.5Å
413R61Low79.5Confident230 Ų23068.7 Ų68.787%0.86838%0.383SS*.  trans-91.8115.1165.8-68.3-175.6179.3177.6-1.5106.2A415R413-A415 PolarHBondContact O-N 2.69Å
414P66.5Low79.3Confident71 Ų7169.6 Ų69.646%0.46138%0.381SS..  trans-51.8131.1172.6-21.630.9000108.8E412 I416 W426 S427E412-P414 WeakPolarHBondContact O-CD 3.5Å; P414-I416 HydrophobicContact CB-CG1 4.44Å; P414-I416 PolarHBondContact O-N 3.05Å; P414-W426 HydrophobicContact CB-CB 4.45Å; P414-S427 WeakPolarHBondContact CA-O 3.48Å; P414-S427 WeakPolarHBondContact CB-O 3.32Å
415A68.7Low79.1Confident65 Ų6568.9 Ų68.954%0.53737%0.374SS..EExtended strand (participates in β ladder)trans-77.2117.9169.100000106.8R413 W426 S427R413-A415 PolarHBondContact O-N 2.69Å; A415-W426 VanDerWaalsContact O-CA 3.23Å; A415-W426 WeakPolarHBondContact O-CA 3.39Å; A415-S427 PolarHBondContact O-N 3.05Å; A415-S427 VanDerWaalsContact O-N 3.09Å
416I77.9Confident78.6Confident121 Ų12171.7 Ų71.762%0.62138%0.383SS*.EExtended strand (participates in β ladder)trans-104.5128.5-178.6-56172.1000108P414 L424 V425 W426P414-I416 HydrophobicContact CB-CG1 4.44Å; P414-I416 PolarHBondContact O-N 3.05Å; I416-L424 HydrophobicContact CG2-CD1 3.4Å; I416-L424 HydrophobicContact CG2-CG 4.42Å; I416-V425 CarbonylContact C-O 3.6Å; I416-V425 WeakPolarHBondContact CA-O 3.46Å; I416-W426 HydrophobicContact CG1-CB 4.13Å
417G75.6Confident77.8Confident36 Ų3673 Ų7337%0.37140%0.395SS..EExtended strand (participates in β ladder)trans-118.6144.8171.500000110.3V425G417-V425 PolarHBondContact N-O 3.13Å; G417-V425 PolarHBondContact O-N 2.89Å; G417-V425 VanDerWaalsContact O-O 3.12Å
418W83.1Confident76.4Confident185 Ų18576 Ų7670%0.70141%0.406SS*.EExtended strand (participates in β ladder)trans-122.9125.4174.5-170.9-67.1000108.4L424W418-L424 HydrophobicContact CE3-CB 4.45Å; W418-L424 HydrophobicContact CE3-CD1 3.73Å; W418-L424 HydrophobicContact CZ3-CD1 4.21Å
419S78.3Confident75.2Confident34 Ų3479.2 Ų79.224%0.23843%0.426CS..  trans-90.8158179.270.80000112.4N421 Q422 T423S419-N421 WeakPolarHBondContact CB-OD1 3.22Å; S419-N421 PolarHBondContact O-N 2.9Å; S419-N421 PolarHBondContact OG-OD1 3.25Å; S419-Q422 PolarHBondContact O-N 3.17Å; S419-T423 PolarHBondContact N-O 2.9Å; S419-T423 WeakPolarHBondContact OG-CA 3.43Å; S419-T423 WeakPolarHBondContact OG-CB 3.47Å; S419-T423 PolarHBondContact OG-N 2.92Å; S419-T423 PolarHBondContact OG-O 2.87Å
420A76Confident73.9Confident113 Ų11384.1 Ų84.193%0.93444%0.443SS*.THydrogen-bonded Turntrans-60.7-26.6176.300000113.2Q422A420-Q422 PolarHBondContact O-N 2.86Å
421N75Confident73.2Confident120 Ų12085.3 Ų85.364%0.64245%0.449SS*.THydrogen-bonded Turntrans-88.230.3174.267.6-29.2000113.3S419 T423S419-N421 WeakPolarHBondContact CB-OD1 3.22Å; S419-N421 PolarHBondContact O-N 2.9Å; S419-N421 PolarHBondContact OG-OD1 3.25Å; N421-T423 VanDerWaalsContact C-N 3.25Å; N421-T423 PolarHBondContact O-N 3.28Å
422Q79.9Confident73.7Confident113 Ų11386.9 Ų86.953%0.52845%0.446SS..SBendtrans56.135174.6-53.6-177.58.900114.2S419 A420S419-Q422 PolarHBondContact O-N 3.17Å; A420-Q422 PolarHBondContact O-N 2.86Å
423T79.3Confident74.4Confident22 Ų2284.4 Ų84.414%0.13543%0.434CS..  trans-101117.3172.3-52.20000109.1S419 N421 V425 A434 F435S419-T423 PolarHBondContact N-O 2.9Å; S419-T423 WeakPolarHBondContact OG-CA 3.43Å; S419-T423 WeakPolarHBondContact OG-CB 3.47Å; S419-T423 PolarHBondContact OG-N 2.92Å; S419-T423 PolarHBondContact OG-O 2.87Å; N421-T423 VanDerWaalsContact C-N 3.25Å; N421-T423 PolarHBondContact O-N 3.28Å; T423-V425 HydrophobicContact CG2-CG2 4.01Å; T423-A434 HydrophobicContact CG2-CB 3.89Å; T423-F435 CarbonylContact C-O 3.6Å; T423-F435 VanDerWaalsContact CA-O 3.31Å; T423-F435 WeakPolarHBondContact CA-O 3.5Å
424L84.3Confident75.4Confident49 Ų4974 Ų7426%0.25740%0.397SS..EExtended strand (participates in β ladder)trans-86.4117.4172179.869.4000108.5I416 W418 W426 A434 F435I416-L424 HydrophobicContact CG2-CD1 3.4Å; I416-L424 HydrophobicContact CG2-CG 4.42Å; W418-L424 HydrophobicContact CE3-CB 4.45Å; W418-L424 HydrophobicContact CE3-CD1 3.73Å; W418-L424 HydrophobicContact CZ3-CD1 4.21Å; L424-W426 HydrophobicContact CG-CE3 4.4Å; L424-A434 CarbonylContact O-C 3.57Å; L424-A434 VanDerWaalsContact O-CA 3.3Å; L424-A434 WeakPolarHBondContact O-CA 3.47Å; L424-F435 HydrophobicContact CB-CB 4.47Å; L424-F435 PolarHBondContact N-O 3.45Å; L424-F435 PolarHBondContact O-N 2.92Å
425V83.1Confident76Confident53 Ų5373.7 Ų73.732%0.32139%0.389SS..EExtended strand (participates in β ladder)trans-113136.3177.4-174.60000108.9I416 G417 T423 W432 T433 A434I416-V425 CarbonylContact C-O 3.6Å; I416-V425 WeakPolarHBondContact CA-O 3.46Å; G417-V425 PolarHBondContact N-O 3.13Å; G417-V425 PolarHBondContact O-N 2.89Å; G417-V425 VanDerWaalsContact O-O 3.12Å; T423-V425 HydrophobicContact CG2-CG2 4.01Å; V425-W432 HydrophobicContact CG1-CE3 4.5Å; V425-T433 CarbonylContact C-O 3.59Å; V425-T433 WeakPolarHBondContact CA-O 3.38Å; V425-A434 HydrophobicContact CG2-CB 3.81Å
426W82.9Confident76.3Confident73 Ų7371.4 Ų71.428%0.27737%0.369SS..EExtended strand (participates in β ladder)trans-136.8146.5168.769.997.7000111.5P414 A415 I416 L424 Y428 W432 T433 F435P414-W426 HydrophobicContact CB-CB 4.45Å; A415-W426 VanDerWaalsContact O-CA 3.23Å; A415-W426 WeakPolarHBondContact O-CA 3.39Å; I416-W426 HydrophobicContact CG1-CB 4.13Å; L424-W426 HydrophobicContact CG-CE3 4.4Å; W426-Y428 AromaticContact NE1-CD1 3.91Å; W426-W432 CarbonylContact O-C 3.54Å; W426-W432 VanDerWaalsContact O-CA 3.3Å; W426-W432 WeakPolarHBondContact O-CA 3.47Å; W426-T433 HydrophobicContact CH2-CG2 3.31Å; W426-T433 VanDerWaalsContact CZ2-CB 3.43Å; W426-T433 HydrophobicContact CZ2-CG2 3.44Å; W426-T433 VanDerWaalsContact CZ2-CG2 3.44Å; W426-T433 HydrophobicContact CZ3-CG2 3.94Å; W426-T433 PolarHBondContact N-O 2.93Å; W426-T433 PolarHBondContact O-N 3.05Å; W426-F435 HydrophobicContact CH2-CB 4.48Å; W426-F435 HydrophobicContact CZ3-CB 3.96Å
427S74.7Confident76Confident53 Ų5372.6 Ų72.637%0.37138%0.376SS..EExtended strand (participates in β ladder)trans-102.7145.5172.563.30000111.8P414 A415 D431P414-S427 WeakPolarHBondContact CA-O 3.48Å; P414-S427 WeakPolarHBondContact CB-O 3.32Å; A415-S427 PolarHBondContact O-N 3.05Å; A415-S427 VanDerWaalsContact O-N 3.09Å; S427-D431 CarbonylContact C-O 3.51Å; S427-D431 WeakPolarHBondContact CA-O 3.44Å
428Y64.2Low75.8Confident61 Ų6177.5 Ų77.524%0.23940%0.399CS..EExtended strand (participates in β ladder)trans-143126.7173.159.1-79.6000108.7W426 R430 D431 T433W426-Y428 AromaticContact NE1-CD1 3.91Å; Y428-R430 PolarHBondContact O-N 2.81Å; Y428-D431 HydrophobicContact CD2-CB 4.3Å; Y428-D431 HydrophobicContact CE1-CB 4Å; Y428-D431 HydrophobicContact CE2-CB 3.72Å; Y428-D431 PolarHBondContact N-O 2.93Å; Y428-D431 PolarHBondContact O-N 2.99Å; Y428-D431 VanDerWaalsContact O-O 3.13Å; Y428-T433 WeakPolarHBondContact CE1-OG1 3.39Å
429T64.2Low75.2Confident68 Ų6869.5 Ų69.542%0.41737%0.374SS..THydrogen-bonded Turntrans54.7-107.3-175.169.30000112.9I393I393-T429 HydrophobicContact CD1-CG2 4.28Å
430R60.9Low75.2Confident157 Ų15770.1 Ų70.159%0.59237%0.374SS*.THydrogen-bonded Turntrans-107.6-5.9176.3-52.7-173.2-169-151.75.4113.2E335 Y428E335-R430 IonicContact OE2-NH1 3.53Å; Y428-R430 PolarHBondContact O-N 2.81Å
431D67Low75.3Confident33 Ų3368.7 Ų68.718%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-105.6158.9-172.4-74.7-43.5000111.6S427 Y428 S443 N444S427-D431 CarbonylContact C-O 3.51Å; S427-D431 WeakPolarHBondContact CA-O 3.44Å; Y428-D431 HydrophobicContact CD2-CB 4.3Å; Y428-D431 HydrophobicContact CE1-CB 4Å; Y428-D431 HydrophobicContact CE2-CB 3.72Å; Y428-D431 PolarHBondContact N-O 2.93Å; Y428-D431 PolarHBondContact O-N 2.99Å; Y428-D431 VanDerWaalsContact O-O 3.13Å; D431-S443 WeakPolarHBondContact CA-OG 3.32Å; D431-S443 VanDerWaalsContact CB-OG 3.31Å; D431-S443 WeakPolarHBondContact CB-OG 3.41Å; D431-S443 PolarHBondContact OD1-OG 3.39Å; D431-N444 HydrophobicContact CB-CB 4.3Å; D431-N444 VanDerWaalsContact OD1-CB 3.29Å; D431-N444 WeakPolarHBondContact OD1-CB 3.42Å; D431-N444 VanDerWaalsContact OD2-CB 3.25Å; D431-N444 WeakPolarHBondContact OD2-CB 3.34Å; D431-N444 PolarHBondContact OD2-ND2 3.3Å
432W79.9Confident75.7Confident115 Ų11563.7 Ų63.744%0.43633%0.328SS..EExtended strand (participates in β ladder)trans-130.8150.817160.3-92.6000110.3V425 W426 A434 V441 S442 S443V425-W432 HydrophobicContact CG1-CE3 4.5Å; W426-W432 CarbonylContact O-C 3.54Å; W426-W432 VanDerWaalsContact O-CA 3.3Å; W426-W432 WeakPolarHBondContact O-CA 3.47Å; W432-A434 HydrophobicContact CE3-CB 4.17Å; W432-A434 HydrophobicContact CZ3-CB 3.83Å; W432-V441 HydrophobicContact CH2-CG1 3.93Å; W432-V441 HydrophobicContact CZ3-CB 4.44Å; W432-V441 HydrophobicContact CZ3-CG1 4.08Å; W432-S442 VanDerWaalsContact O-CA 3.24Å; W432-S442 WeakPolarHBondContact O-CA 3.44Å; W432-S442 WeakPolarHBondContact O-CB 3.33Å; W432-S442 PolarHBondContact O-OG 3.19Å; W432-S443 PolarHBondContact N-OG 3.2Å; W432-S443 PolarHBondContact O-N 2.93Å; W432-S443 PolarHBondContact O-OG 3.43Å
433T79.9Confident75.7Confident0 Ų061 Ų610%032%0.322CS..EExtended strand (participates in β ladder)trans-128.7137.7170.8-58.30000108.3V425 W426 Y428 I440 V441 S442 L448V425-T433 CarbonylContact C-O 3.59Å; V425-T433 WeakPolarHBondContact CA-O 3.38Å; W426-T433 HydrophobicContact CH2-CG2 3.31Å; W426-T433 VanDerWaalsContact CZ2-CB 3.43Å; W426-T433 HydrophobicContact CZ2-CG2 3.44Å; W426-T433 VanDerWaalsContact CZ2-CG2 3.44Å; W426-T433 HydrophobicContact CZ3-CG2 3.94Å; W426-T433 PolarHBondContact N-O 2.93Å; W426-T433 PolarHBondContact O-N 3.05Å; Y428-T433 WeakPolarHBondContact CE1-OG1 3.39Å; T433-I440 HydrophobicContact CG2-CG2 3.71Å; T433-V441 CarbonylContact C-O 3.55Å; T433-V441 WeakPolarHBondContact CA-O 3.48Å; T433-S442 PolarHBondContact OG1-OG 2.83Å; T433-L448 HydrophobicContact CG2-CD2 3.73Å
434A81.3Confident75.6Confident11 Ų1162.3 Ų62.39%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-117.9133.217400000108.6T423 L424 V425 W432 I440 V441T423-A434 HydrophobicContact CG2-CB 3.89Å; L424-A434 CarbonylContact O-C 3.57Å; L424-A434 VanDerWaalsContact O-CA 3.3Å; L424-A434 WeakPolarHBondContact O-CA 3.47Å; V425-A434 HydrophobicContact CG2-CB 3.81Å; W432-A434 HydrophobicContact CE3-CB 4.17Å; W432-A434 HydrophobicContact CZ3-CB 3.83Å; A434-I440 WeakPolarHBondContact O-CA 3.37Å; A434-V441 HydrophobicContact CB-CB 4.49Å; A434-V441 PolarHBondContact N-O 3.17Å; A434-V441 PolarHBondContact O-N 3.2Å
435F80.4Confident75Confident66 Ų6663.7 Ų63.729%0.28934%0.335SS..EExtended strand (participates in β ladder)trans-117.1120.4174.1176.4-95.7000108.3T423 L424 W426 I440T423-F435 CarbonylContact C-O 3.6Å; T423-F435 VanDerWaalsContact CA-O 3.31Å; T423-F435 WeakPolarHBondContact CA-O 3.5Å; L424-F435 HydrophobicContact CB-CB 4.47Å; L424-F435 PolarHBondContact N-O 3.45Å; L424-F435 PolarHBondContact O-N 2.92Å; W426-F435 HydrophobicContact CH2-CB 4.48Å; W426-F435 HydrophobicContact CZ3-CB 3.96Å; F435-I440 HydrophobicContact CD2-CD1 4.16Å; F435-I440 HydrophobicContact CD2-CG1 3.62Å; F435-I440 HydrophobicContact CE2-CG1 4.31Å
436S75.3Confident74.4Confident16 Ų1667.1 Ų67.111%0.11235%0.347CS..EExtended strand (participates in β ladder)trans-122.6173.317469.70000109.9T438 G439S436-T438 PolarHBondContact O-N 2.84Å; S436-T438 VanDerWaalsContact O-N 3.12Å; S436-T438 PolarHBondContact OG-N 2.93Å; S436-T438 VanDerWaalsContact OG-N 3.14Å; S436-T438 PolarHBondContact OG-OG1 2.92Å; S436-G439 PolarHBondContact N-O 2.89Å; S436-G439 PolarHBondContact O-N 3.48Å; S436-G439 VanDerWaalsContact O-N 3.17Å; S436-G439 PolarHBondContact OG-N 2.73Å; S436-G439 PolarHBondContact OG-O 3.37Å
437L69.9Low73.5Confident146 Ų14666.6 Ų66.676%0.76435%0.352SS*.THydrogen-bonded Turntrans-57.8-21.7169.3-69.3172.6000113.5
438T71.8Confident73.1Confident139 Ų13964.9 Ų64.985%0.85334%0.339SS*.THydrogen-bonded Turntrans-93-9.5-178.857.80000113.6S436S436-T438 PolarHBondContact O-N 2.84Å; S436-T438 VanDerWaalsContact O-N 3.12Å; S436-T438 PolarHBondContact OG-N 2.93Å; S436-T438 VanDerWaalsContact OG-N 3.14Å; S436-T438 PolarHBondContact OG-OG1 2.92Å
439G71.2Confident73.2Confident17 Ų1764.3 Ų64.318%0.17534%0.339CS..EExtended strand (participates in β ladder)trans141.3-161175.500000114.1S436S436-G439 PolarHBondContact N-O 2.89Å; S436-G439 PolarHBondContact O-N 3.48Å; S436-G439 VanDerWaalsContact O-N 3.17Å; S436-G439 PolarHBondContact OG-N 2.73Å; S436-G439 PolarHBondContact OG-O 3.37Å
440I78.1Confident73.2Confident47 Ų4766.2 Ų66.224%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-111.4132-178.5-68.1165000110T433 A434 F435 L448 L514T433-I440 HydrophobicContact CG2-CG2 3.71Å; A434-I440 WeakPolarHBondContact O-CA 3.37Å; F435-I440 HydrophobicContact CD2-CD1 4.16Å; F435-I440 HydrophobicContact CD2-CG1 3.62Å; F435-I440 HydrophobicContact CE2-CG1 4.31Å; I440-L448 HydrophobicContact CG2-CD2 3.56Å; I440-L514 HydrophobicContact CD1-CD1 3.29Å
441V78.3Confident73.2Confident84 Ų8465.1 Ų65.151%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-123.2134.9173.3-175.30000108.2W432 T433 A434W432-V441 HydrophobicContact CH2-CG1 3.93Å; W432-V441 HydrophobicContact CZ3-CB 4.44Å; W432-V441 HydrophobicContact CZ3-CG1 4.08Å; T433-V441 CarbonylContact C-O 3.55Å; T433-V441 WeakPolarHBondContact CA-O 3.48Å; A434-V441 HydrophobicContact CB-CB 4.49Å; A434-V441 PolarHBondContact N-O 3.17Å; A434-V441 PolarHBondContact O-N 3.2Å
442S82.4Confident72.8Confident15 Ų1565 Ų6511%0.10534%0.342CS..EExtended strand (participates in β ladder)trans-141148.1176.3-178.20000111W432 T433 N444W432-S442 VanDerWaalsContact O-CA 3.24Å; W432-S442 WeakPolarHBondContact O-CA 3.44Å; W432-S442 WeakPolarHBondContact O-CB 3.33Å; W432-S442 PolarHBondContact O-OG 3.19Å; T433-S442 PolarHBondContact OG1-OG 2.83Å; S442-N444 PolarHBondContact O-N 3.1Å; S442-N444 PolarHBondContact OG-N 2.82Å
443S81Confident71.6Confident57 Ų5763.9 Ų63.940%0.39934%0.342SS..THydrogen-bonded Turntrans-60.8-25.8170.157.50000112.6D431 W432D431-S443 WeakPolarHBondContact CA-OG 3.32Å; D431-S443 VanDerWaalsContact CB-OG 3.31Å; D431-S443 WeakPolarHBondContact CB-OG 3.41Å; D431-S443 PolarHBondContact OD1-OG 3.39Å; W432-S443 PolarHBondContact N-OG 3.2Å; W432-S443 PolarHBondContact O-N 2.93Å; W432-S443 PolarHBondContact O-OG 3.43Å
444N77.3Confident70.3Confident49 Ų4965.9 Ų65.926%0.26236%0.359SS..THydrogen-bonded Turntrans-134.767.8-178.4-170.8-11.4000110.1D431 S442 Q446 T447 L448D431-N444 HydrophobicContact CB-CB 4.3Å; D431-N444 VanDerWaalsContact OD1-CB 3.29Å; D431-N444 WeakPolarHBondContact OD1-CB 3.42Å; D431-N444 VanDerWaalsContact OD2-CB 3.25Å; D431-N444 WeakPolarHBondContact OD2-CB 3.34Å; D431-N444 PolarHBondContact OD2-ND2 3.3Å; S442-N444 PolarHBondContact O-N 3.1Å; S442-N444 PolarHBondContact OG-N 2.82Å; N444-Q446 PolarHBondContact O-N 2.86Å; N444-T447 PolarHBondContact ND2-OG1 3.24Å; N444-T447 PolarHBondContact O-N 3.12Å; N444-T447 WeakPolarHBondContact OD1-CB 3.47Å; N444-T447 PolarHBondContact OD1-N 2.92Å; N444-T447 PolarHBondContact OD1-OG1 3.29Å; N444-L448 PolarHBondContact O-N 2.85Å; N444-L448 VanDerWaalsContact O-N 3.07Å
445L71.6Confident68.8Low78 Ų7868.6 Ų68.641%0.40837%0.374SS..Hα-helixtrans-56.9-34.5-177.5-168.668.5000112.3L448 M449L445-L448 HydrophobicContact CD1-CD2 4.49Å; L445-L448 PolarHBondContact O-N 3.3Å; L445-M449 HydrophobicContact CD1-CE 3.91Å; L445-M449 HydrophobicContact CD2-CE 4.5Å; L445-M449 HydrophobicContact CG-CE 4.17Å; L445-M449 HydrophobicContact CG-CG 4.25Å; L445-M449 WeakPolarHBondContact O-CB 3.48Å; L445-M449 WeakPolarHBondContact O-CG 3.29Å; L445-M449 PolarHBondContact O-N 3.4Å
446Q70.2Confident67.3Low124 Ų12468.4 Ų68.458%0.57938%0.376SS*.Hα-helixtrans-63.4-50179.2-176.960.633.300111.8N444 L448 M449 E450N444-Q446 PolarHBondContact O-N 2.86Å; Q446-L448 VanDerWaalsContact C-N 3.3Å; Q446-L448 PolarHBondContact O-N 3.42Å; Q446-M449 PolarHBondContact O-N 3.44Å; Q446-E450 PolarHBondContact NE2-OE1 3.28Å; Q446-E450 WeakPolarHBondContact O-CG 3.45Å; Q446-E450 PolarHBondContact O-N 3.26Å
447T64.1Low65.5Low62 Ų6272 Ų7238%0.3839%0.393SS..Hα-helixtrans-65.8-37.3178.9-54.10000111.1N444 E450 F451N444-T447 PolarHBondContact ND2-OG1 3.24Å; N444-T447 PolarHBondContact O-N 3.12Å; N444-T447 WeakPolarHBondContact OD1-CB 3.47Å; N444-T447 PolarHBondContact OD1-N 2.92Å; N444-T447 PolarHBondContact OD1-OG1 3.29Å; T447-E450 PolarHBondContact O-N 3Å; T447-F451 WeakPolarHBondContact O-CB 3.46Å; T447-F451 PolarHBondContact O-N 2.68Å
448L65.6Low64Low17 Ų1770.4 Ų70.49%0.08939%0.386CS..Hα-helixtrans-62.4-44.3173.4-178.564.6000111.5T433 I440 N444 L445 Q446 F451 L452T433-L448 HydrophobicContact CG2-CD2 3.73Å; I440-L448 HydrophobicContact CG2-CD2 3.56Å; N444-L448 PolarHBondContact O-N 2.85Å; N444-L448 VanDerWaalsContact O-N 3.07Å; L445-L448 HydrophobicContact CD1-CD2 4.49Å; L445-L448 PolarHBondContact O-N 3.3Å; Q446-L448 VanDerWaalsContact C-N 3.3Å; Q446-L448 PolarHBondContact O-N 3.42Å; L448-F451 PolarHBondContact O-N 3.23Å; L448-L452 HydrophobicContact CD1-CD1 3.87Å; L448-L452 HydrophobicContact CD1-CG 4.31Å; L448-L452 HydrophobicContact CD2-CD1 4.4Å; L448-L452 HydrophobicContact CG-CD1 3.69Å; L448-L452 HydrophobicContact CG-CG 4.49Å; L448-L452 WeakPolarHBondContact O-CB 3.33Å; L448-L452 WeakPolarHBondContact O-CD1 3.13Å; L448-L452 WeakPolarHBondContact O-CG 3.26Å; L448-L452 PolarHBondContact O-N 3.4Å
449M66.5Low62.7Low50 Ų5070.6 Ų70.625%0.24638%0.375CS..Hα-helixtrans-65.2-40.7177.3-71.8-69.4178.600111.4L445 Q446 L452 H453 L510L445-M449 HydrophobicContact CD1-CE 3.91Å; L445-M449 HydrophobicContact CD2-CE 4.5Å; L445-M449 HydrophobicContact CG-CE 4.17Å; L445-M449 HydrophobicContact CG-CG 4.25Å; L445-M449 WeakPolarHBondContact O-CB 3.48Å; L445-M449 WeakPolarHBondContact O-CG 3.29Å; L445-M449 PolarHBondContact O-N 3.4Å; Q446-M449 PolarHBondContact O-N 3.44Å; M449-L452 PolarHBondContact O-N 3.34Å; M449-H453 VanDerWaalsContact O-CB 3.28Å; M449-H453 WeakPolarHBondContact O-CB 3.44Å; M449-H453 PolarHBondContact O-CD2 2.92Å; M449-H453 PolarHBondContact O-N 3.33Å; M449-L510 HydrophobicContact SD-CD1 3.69Å
450E63.7Low60.9Low108 Ų10879 Ų7951%0.50540%0.402SS..Hα-helixtrans-63.2-43173.9-75.5170.4-163.300112.1Q446 T447 H453 A454Q446-E450 PolarHBondContact NE2-OE1 3.28Å; Q446-E450 WeakPolarHBondContact O-CG 3.45Å; Q446-E450 PolarHBondContact O-N 3.26Å; T447-E450 PolarHBondContact O-N 3Å; E450-H453 PolarHBondContact O-N 3.45Å; E450-A454 WeakPolarHBondContact O-CB 3.18Å; E450-A454 PolarHBondContact O-N 3.25Å
451F61.7Low58.7Low134 Ų13480.1 Ų80.159%0.58841%0.413SS*.Hα-helixtrans-60.8-47.1174.6174.9-98.6000111.4T447 L448 H453 A454 V455T447-F451 WeakPolarHBondContact O-CB 3.46Å; T447-F451 PolarHBondContact O-N 2.68Å; L448-F451 PolarHBondContact O-N 3.23Å; F451-H453 VanDerWaalsContact C-N 3.32Å; F451-H453 PolarHBondContact O-N 3.21Å; F451-A454 PolarHBondContact O-N 3.39Å; F451-V455 HydrophobicContact CE1-CG2 4.27Å; F451-V455 HydrophobicContact CZ-CG2 4.27Å; F451-V455 WeakPolarHBondContact O-CG2 3.42Å; F451-V455 PolarHBondContact O-N 3.27Å
452L59.1Low56.7Low29 Ų2982.2 Ų82.215%0.15242%0.418CS..Hα-helixtrans-67.1-34179-67163.2000111.6L448 M449 N456 L510L448-L452 HydrophobicContact CD1-CD1 3.87Å; L448-L452 HydrophobicContact CD1-CG 4.31Å; L448-L452 HydrophobicContact CD2-CD1 4.4Å; L448-L452 HydrophobicContact CG-CD1 3.69Å; L448-L452 HydrophobicContact CG-CG 4.49Å; L448-L452 WeakPolarHBondContact O-CB 3.33Å; L448-L452 WeakPolarHBondContact O-CD1 3.13Å; L448-L452 WeakPolarHBondContact O-CG 3.26Å; L448-L452 PolarHBondContact O-N 3.4Å; M449-L452 PolarHBondContact O-N 3.34Å; L452-N456 PolarHBondContact O-N 3.45Å; L452-L510 HydrophobicContact CB-CD1 4.31Å; L452-L510 HydrophobicContact CB-CD2 4.18Å; L452-L510 HydrophobicContact CD1-CD1 4.4Å; L452-L510 HydrophobicContact CD1-CD2 3.61Å; L452-L510 HydrophobicContact CD2-CD2 4.25Å; L452-L510 HydrophobicContact CG-CD2 4.2Å
453H54.7Low54.3Low92 Ų9287.6 Ų87.643%0.42645%0.45SS..Hα-helixtrans-69.4-40.9172.1-84.5-61000112.7M449 E450 F451 V455 N456 D457M449-H453 VanDerWaalsContact O-CB 3.28Å; M449-H453 WeakPolarHBondContact O-CB 3.44Å; M449-H453 PolarHBondContact O-CD2 2.92Å; M449-H453 PolarHBondContact O-N 3.33Å; E450-H453 PolarHBondContact O-N 3.45Å; F451-H453 VanDerWaalsContact C-N 3.32Å; F451-H453 PolarHBondContact O-N 3.21Å; H453-V455 VanDerWaalsContact C-N 3.28Å; H453-V455 PolarHBondContact O-N 3.4Å; H453-N456 CarbonylContact O-C 3.24Å; H453-N456 VanDerWaalsContact O-CA 3.31Å; H453-N456 WeakPolarHBondContact O-CA 3.47Å; H453-N456 WeakPolarHBondContact O-CB 3.11Å; H453-N456 PolarHBondContact O-N 3.07Å; H453-D457 PolarHBondContact O-N 3.31Å
454A52.8Low51.9Low43 Ų4389.5 Ų89.536%0.35546%0.463SS..Hα-helixtrans-63.4-35.5176.100000111.8E450 F451 N456 D457 N458E450-A454 WeakPolarHBondContact O-CB 3.18Å; E450-A454 PolarHBondContact O-N 3.25Å; F451-A454 PolarHBondContact O-N 3.39Å; A454-N456 PolarHBondContact O-N 3.31Å; A454-D457 PolarHBondContact O-N 3.08Å; A454-N458 WeakPolarHBondContact O-CB 3.46Å; A454-N458 PolarHBondContact O-N 2.94Å
455V49.8Very low49.6Very low68 Ų6893 Ų9341%0.41249%0.486SS..Hα-helixtrans-61.5-28.4170.4173.90000111.5F451 H453F451-V455 HydrophobicContact CE1-CG2 4.27Å; F451-V455 HydrophobicContact CZ-CG2 4.27Å; F451-V455 WeakPolarHBondContact O-CG2 3.42Å; F451-V455 PolarHBondContact O-N 3.27Å; H453-V455 VanDerWaalsContact C-N 3.28Å; H453-V455 PolarHBondContact O-N 3.4Å
456N47.7Very low47.7Very low62 Ų6297 Ų9733%0.33251%0.508SS..Hα-helixtrans-82.6-41.8175.4-15527.4000112.5L452 H453 A454 K459 R460L452-N456 PolarHBondContact O-N 3.45Å; H453-N456 CarbonylContact O-C 3.24Å; H453-N456 VanDerWaalsContact O-CA 3.31Å; H453-N456 WeakPolarHBondContact O-CA 3.47Å; H453-N456 WeakPolarHBondContact O-CB 3.11Å; H453-N456 PolarHBondContact O-N 3.07Å; A454-N456 PolarHBondContact O-N 3.31Å; N456-K459 WeakPolarHBondContact O-CB 3.35Å; N456-K459 PolarHBondContact O-N 2.83Å; N456-K459 VanDerWaalsContact O-N 3.13Å; N456-R460 PolarHBondContact O-N 3.07Å
457D38.7Very low45.6Very low90 Ų9097.7 Ų97.748%0.48152%0.516SS..Hα-helixtrans-75.3-28.4-178.7-80.5-20.8000113.4H453 A454 K459 R460 S461H453-D457 PolarHBondContact O-N 3.31Å; A454-D457 PolarHBondContact O-N 3.08Å; D457-K459 PolarHBondContact O-N 3.07Å; D457-K459 VanDerWaalsContact O-N 3.13Å; D457-R460 PolarHBondContact O-N 3.49Å; D457-S461 PolarHBondContact O-N 3.46Å; D457-S461 PolarHBondContact O-OG 3.05Å
458N38.9Very low43.9Very low114 Ų114100.6 Ų100.661%0.6154%0.538SS*.THydrogen-bonded Turntrans-62.8-14.8168.4-78.6-10.2000112.3A454A454-N458 WeakPolarHBondContact O-CB 3.46Å; A454-N458 PolarHBondContact O-N 2.94Å
459K44.4Very low42.1Very low142 Ų142106.1 Ų106.162%0.61757%0.568SS**THydrogen-bonded Turntrans-92.6-18168.2-67.4-174.2176.7179.20113.9N456 D457N456-K459 WeakPolarHBondContact O-CB 3.35Å; N456-K459 PolarHBondContact O-N 2.83Å; N456-K459 VanDerWaalsContact O-N 3.13Å; D457-K459 PolarHBondContact O-N 3.07Å; D457-K459 VanDerWaalsContact O-N 3.13Å
460R33.4Very low40.3Very low195 Ų195107.9 Ų107.974%0.73658%0.582SS**THydrogen-bonded Turntrans-94-33.4-178.7-134.3175.3-170.8-175.62.1112.7N456 D457 E462 T463N456-R460 PolarHBondContact O-N 3.07Å; D457-R460 PolarHBondContact O-N 3.49Å; R460-E462 PolarHBondContact O-N 3.33Å; R460-T463 PolarHBondContact O-N 3.32Å; R460-T463 PolarHBondContact O-OG1 3.38Å
461S31.9Very low38.4Very low69 Ų69107.4 Ų107.448%0.48359%0.586SS.*G310 helixtrans-73.7-9.2178.949.20000114.4D457 T463 S464D457-S461 PolarHBondContact O-N 3.46Å; D457-S461 PolarHBondContact O-OG 3.05Å; S461-T463 PolarHBondContact O-N 2.88Å; S461-T463 VanDerWaalsContact O-N 3.11Å; S461-S464 PolarHBondContact O-N 2.94Å
462E34.4Very low36.7Very low129 Ų129108.1 Ų108.160%0.60359%0.586SS**G310 helixtrans-67.8-0.5167.6-76.6-175160.700114.1R460 T471R460-E462 PolarHBondContact O-N 3.33Å; E462-T471 VanDerWaalsContact OE2-CG2 3.27Å; E462-T471 WeakPolarHBondContact OE2-CG2 3.24Å
463T32.9Very low35.1Very low128 Ų128112 Ų11279%0.78562%0.615SS**G310 helixtrans-1025.9174.851.90000115.6R460 S461R460-T463 PolarHBondContact O-N 3.32Å; R460-T463 PolarHBondContact O-OG1 3.38Å; S461-T463 PolarHBondContact O-N 2.88Å; S461-T463 VanDerWaalsContact O-N 3.11Å
464S31.6Very low33.9Very low97 Ų97113.2 Ų113.268%0.67862%0.624SS**SBendtrans-14746177.964.30000115.9S461S461-S464 PolarHBondContact O-N 2.94Å
465V28.4Very low32.7Very low123 Ų123115.8 Ų115.875%0.74564%0.64SS**SBendtrans-139116.2150.2-1780000107.2N467V465-N467 VanDerWaalsContact C-N 3.31Å; V465-N467 PolarHBondContact O-N 3.37Å
466N30.6Very low31.6Very low162 Ų162118.2 Ų118.287%0.86665%0.651SS**SBendtrans-51.993.4172.2-76.5-26.7000110.3
467N26.6Very low30.8Very low138 Ų138119 Ų11974%0.73867%0.665SS**  trans-160.3104.3148.1-92.5-22.3000105.6V465 N469V465-N467 VanDerWaalsContact C-N 3.31Å; V465-N467 PolarHBondContact O-N 3.37Å; N467-N469 PolarHBondContact O-N 2.73Å
468S27.7Very low30.3Very low123 Ų123122.7 Ų122.786%0.8668%0.68SS**  trans-58.980.5178.250.20000111.1
469N28.3Very low29.9Very low133 Ų133126.2 Ų126.271%0.71169%0.686SS**  trans-107.899.2166.4-78.1-14.3000107.5N467 T471N467-N469 PolarHBondContact O-N 2.73Å; N469-T471 PolarHBondContact O-N 2.84Å
470T28.7Very low29.1Very low87 Ų87125.1 Ų125.153%0.53469%0.687SS.*  trans13.177.8151.636.80000116.3Y472T470-Y472 PolarHBondContact O-N 3.14Å
471T24.6Very low29.1Very low97 Ų97119 Ų11960%0.59568%0.677SS**  trans-72.7106.6161.9-8.90000107.5E462 N469 S473E462-T471 VanDerWaalsContact OE2-CG2 3.27Å; E462-T471 WeakPolarHBondContact OE2-CG2 3.24Å; N469-T471 PolarHBondContact O-N 2.84Å; T471-S473 PolarHBondContact O-N 2.97Å
472Y25.9Very low29.1Very low150 Ų150121.7 Ų121.759%0.58869%0.686SS**  trans-56.7102173.2-71.4-85.3000109.5T470 L474T470-Y472 PolarHBondContact O-N 3.14Å; Y472-L474 PolarHBondContact O-N 3.06Å
473S24.9Very low28.8Very low110 Ų110120.4 Ų120.477%0.76969%0.69SS**  trans-70.589.6-179.963.50000110T471 S475T471-S473 PolarHBondContact O-N 2.97Å; S473-S475 PolarHBondContact O-N 2.92Å
474L29.1Very low28.8Very low117 Ų117122.1 Ų122.161%0.61369%0.69SS**  trans-6799.3164-79.9157.4000108Y472 N476Y472-L474 PolarHBondContact O-N 3.06Å; L474-N476 PolarHBondContact O-N 3.29Å
475S27.8Very low28.7Very low98 Ų98124.3 Ų124.369%0.68569%0.694SS**SBendtrans-66.123.9-172.157.80000116.3S473S473-S475 PolarHBondContact O-N 2.92Å
476N28.2Very low28.9Very low118 Ų118125.2 Ų125.263%0.63169%0.693SS**G310 helixtrans-93.913.4177.8-75.8-10.6000114L474 Q478L474-N476 PolarHBondContact O-N 3.29Å; N476-Q478 PolarHBondContact O-N 3.29Å
477A29.2Very low29Very low78 Ų78126.8 Ų126.865%0.64569%0.692SS**G310 helixtrans-65.5-19.6175.100000113.6Y479 L480A477-Y479 VanDerWaalsContact C-N 3.26Å; A477-Y479 PolarHBondContact O-N 2.79Å; A477-L480 PolarHBondContact O-N 2.96Å
478Q29.5Very low29.2Very low169 Ų169128.1 Ų128.179%0.7970%0.699SS**G310 helixtrans-68.1-18.3-179.2-85175.9-21.100114.5N476 L480N476-Q478 PolarHBondContact O-N 3.29Å; Q478-L480 PolarHBondContact O-N 3.16Å
479Y30.9Very low29.4Very low187 Ų187131.3 Ų131.373%0.73370%0.697SS**G310 helixtrans-76.4-20.2178.2-109.8-86.8000114.1A477 A481 N482A477-Y479 VanDerWaalsContact C-N 3.26Å; A477-Y479 PolarHBondContact O-N 2.79Å; Y479-A481 VanDerWaalsContact C-N 3.33Å; Y479-A481 PolarHBondContact O-N 2.79Å; Y479-N482 PolarHBondContact O-N 3.41Å
480L27.7Very low29.8Very low120 Ų120132.1 Ų132.163%0.62870%0.702SS**Hα-helixtrans-72.1-25179-95.6160.1000113.2A477 Q478 N482 C483A477-L480 PolarHBondContact O-N 2.96Å; Q478-L480 PolarHBondContact O-N 3.16Å; L480-N482 VanDerWaalsContact C-N 3.26Å; L480-N482 PolarHBondContact O-N 2.86Å; L480-C483 PolarHBondContact O-N 3.38Å
481A32.2Very low29.9Very low66 Ų66138.5 Ų138.555%0.54572%0.718SS.*Hα-helixtrans-66-29177.900000112.6Y479Y479-A481 VanDerWaalsContact C-N 3.33Å; Y479-A481 PolarHBondContact O-N 2.79Å
482N31.8Very low30.5Very low125 Ų125142.9 Ų142.967%0.66873%0.731SS**Hα-helixtrans-84-19.3-177.4-82.1-6.8000114.2Y479 L480Y479-N482 PolarHBondContact O-N 3.41Å; L480-N482 VanDerWaalsContact C-N 3.26Å; L480-N482 PolarHBondContact O-N 2.86Å
483C28.9Very low31.1Very low102 Ų102142 Ų14269%0.68974%0.737SS**Hα-helixtrans-87.7-12.8-177.8-68.30000114.4L480L480-C483 PolarHBondContact O-N 3.38Å
484Q32.9Very low31.9Very low164 Ų164142.5 Ų142.577%0.76673%0.731SS**SBendtrans-86.7-8.6-179.4-72.4-172.2-18.400114.6I486Q484-I486 PolarHBondContact O-N 2.81Å
485N29.3Very low32.8Very low144 Ų144143 Ų14377%0.7773%0.734SS**SBendtrans-89.113.8-173.5-92.1-19.5000116.2
486I32.8Very low33.8Very low142 Ų142144.8 Ų144.873%0.72874%0.736SS**SBendtrans-129.492.8175.9-51.3177.5000109.3Q484Q484-I486 PolarHBondContact O-N 2.81Å
487K32.9Very low34.8Very low195 Ų195144.2 Ų144.285%0.84873%0.733SS**  trans163.682.2144-87.6158.8-169.8-1770110.6
488N30.8Very low35.8Very low166 Ų166145.2 Ų145.289%0.88873%0.727SS**  trans-126.799.9155.8-96.1-19.7000106.8
489K32.2Very low36.6Very low189 Ų189144.8 Ų144.882%0.82272%0.723SS**  trans-168.3113.1150.4-105.5170.8-174.3-1760110.5
490D35.6Very low37.5Very low150 Ų150141.4 Ų141.480%0.80272%0.718SS**  trans71.4102.2145.4-50.4-28.3000119.6
491Y31.9Very low38.7Very low221 Ų221141.4 Ų141.487%0.86771%0.712SS**  trans-62.9135.5167.1-82.1-105.9000112
492H37.4Very low39.5Very low189 Ų189146.8 Ų146.888%0.87572%0.718SS**  trans-162.7106.8135.7-101.9-68.2000111.3
493N36.5Very low40.3Very low132 Ų132143.8 Ų143.871%0.70671%0.708SS**  trans52.690.8138-132.214.7000120.1
494D43.2Very low41.5Very low121 Ų121144.7 Ų144.765%0.64770%0.701SS**  trans-157.986.4151.3-110.3-19000111.9N496 N497D494-N496 PolarHBondContact O-N 2.91Å; D494-N497 PolarHBondContact O-N 3.04Å; D494-N497 VanDerWaalsContact O-N 3.13Å
495N47.8Very low42.7Very low127 Ų127142.1 Ų142.168%0.67969%0.689SS**THydrogen-bonded Turntrans-62.6-11.6-169.5-86.8-27000116.5
496N48.7Very low44Very low136 Ų136141 Ų14173%0.72768%0.678SS**THydrogen-bonded Turntrans-90.2-24.3175.6-89.7-17000113.2D494D494-N496 PolarHBondContact O-N 2.91Å
497N49.5Very low44.9Very low106 Ų106138.9 Ų138.957%0.56767%0.665SS**Hα-helixtrans-75-28.3176.7-85.3-24.5000112.2D494 K499 N500 K501D494-N497 PolarHBondContact O-N 3.04Å; D494-N497 VanDerWaalsContact O-N 3.13Å; N497-K499 PolarHBondContact O-N 3.02Å; N497-N500 PolarHBondContact O-N 2.85Å; N497-K501 VanDerWaalsContact O-CB 3.26Å; N497-K501 WeakPolarHBondContact O-CB 3.35Å; N497-K501 PolarHBondContact O-N 2.86Å
498D49.2Very low46.3Very low98 Ų98132.8 Ų132.852%0.52464%0.644SS.*Hα-helixtrans-66.2-32.7-178.6-87.3-21000113.9R502D498-R502 VanDerWaalsContact O-CB 3.24Å; D498-R502 WeakPolarHBondContact O-CB 3.36Å; D498-R502 PolarHBondContact O-N 3.11Å
499K47.3Very low47.9Very low161 Ų161130.5 Ų130.570%0.763%0.628SS**Hα-helixtrans-68-44.6175.2-76.9-174.9179.9175.30111.8N497 S503N497-K499 PolarHBondContact O-N 3.02Å; K499-S503 WeakPolarHBondContact O-CB 3.47Å; K499-S503 PolarHBondContact O-N 2.96Å
500N48.8Very low49.2Very low116 Ų116122.5 Ų122.562%0.6259%0.594SS**Hα-helixtrans-67.6-40.7177.7-77.5-11.7000111.3N497 S503 H504N497-N500 PolarHBondContact O-N 2.85Å; N500-S503 PolarHBondContact O-N 2.94Å; N500-H504 WeakPolarHBondContact O-CB 2.96Å; N500-H504 PolarHBondContact O-N 2.9Å
501K52.3Low50.4Low119 Ų119119.3 Ų119.352%0.51758%0.577SS.*Hα-helixtrans-62.5-45.7176.3-168.4178177.5-173.90111.8N497 S503 H504 E505N497-K501 VanDerWaalsContact O-CB 3.26Å; N497-K501 WeakPolarHBondContact O-CB 3.35Å; N497-K501 PolarHBondContact O-N 2.86Å; K501-S503 VanDerWaalsContact C-N 3.34Å; K501-S503 PolarHBondContact O-N 3.23Å; K501-H504 PolarHBondContact O-N 2.98Å; K501-E505 WeakPolarHBondContact CE-OE1 3.35Å; K501-E505 WeakPolarHBondContact O-CB 3.19Å; K501-E505 WeakPolarHBondContact O-CG 3.49Å; K501-E505 PolarHBondContact O-N 2.76Å
502R50.1Low52.2Low179 Ų179113.3 Ų113.368%0.67556%0.562SS**Hα-helixtrans-66.2-34177.5-163.7173.6-172-172.82.3112.9D498 K506D498-R502 VanDerWaalsContact O-CB 3.24Å; D498-R502 WeakPolarHBondContact O-CB 3.36Å; D498-R502 PolarHBondContact O-N 3.11Å; R502-K506 WeakPolarHBondContact O-CG 3.44Å; R502-K506 PolarHBondContact O-N 2.84Å; R502-K506 VanDerWaalsContact O-N 3.15Å
503S49.3Very low53.3Low63 Ų63107.1 Ų107.144%0.44153%0.534SS..Hα-helixtrans-66.6-43.6172.1-174.80000111.6K499 N500 K501 K506 Q507K499-S503 WeakPolarHBondContact O-CB 3.47Å; K499-S503 PolarHBondContact O-N 2.96Å; N500-S503 PolarHBondContact O-N 2.94Å; K501-S503 VanDerWaalsContact C-N 3.34Å; K501-S503 PolarHBondContact O-N 3.23Å; S503-K506 PolarHBondContact O-N 2.84Å; S503-Q507 WeakPolarHBondContact O-CG 3.47Å; S503-Q507 PolarHBondContact O-N 2.88Å
504H52.2Low54.7Low121 Ų121103 Ų10356%0.5651%0.512SS*.Hα-helixtrans-70.4-38.4-179.8-164.251.1000112.5N500 K501 Q507 T508N500-H504 WeakPolarHBondContact O-CB 2.96Å; N500-H504 PolarHBondContact O-N 2.9Å; K501-H504 PolarHBondContact O-N 2.98Å; H504-Q507 PolarHBondContact O-N 3.39Å; H504-T508 WeakPolarHBondContact O-CB 3.27Å; H504-T508 PolarHBondContact O-N 2.94Å; H504-T508 PolarHBondContact O-OG1 2.88Å
505E58.7Low55.8Low110 Ų110103.6 Ų103.651%0.51451%0.509SS..Hα-helixtrans-60.1-45.8172.2-77.2173.8179.400111.1K501 Q507 T508 E509K501-E505 WeakPolarHBondContact CE-OE1 3.35Å; K501-E505 WeakPolarHBondContact O-CB 3.19Å; K501-E505 WeakPolarHBondContact O-CG 3.49Å; K501-E505 PolarHBondContact O-N 2.76Å; E505-Q507 PolarHBondContact O-N 3.16Å; E505-T508 PolarHBondContact O-N 3.36Å; E505-E509 PolarHBondContact O-N 2.91Å
506K56.2Low56.9Low120 Ų120103.8 Ų103.852%0.52250%0.5SS..Hα-helixtrans-60.4-43.8174.2-80.3-175.4175.6-168.80112.8R502 S503 T508 L510R502-K506 WeakPolarHBondContact O-CG 3.44Å; R502-K506 PolarHBondContact O-N 2.84Å; R502-K506 VanDerWaalsContact O-N 3.15Å; S503-K506 PolarHBondContact O-N 2.84Å; K506-T508 VanDerWaalsContact C-N 3.3Å; K506-T508 PolarHBondContact O-N 2.91Å; K506-L510 WeakPolarHBondContact O-CB 3.42Å; K506-L510 PolarHBondContact O-N 2.97Å; K506-L510 VanDerWaalsContact O-N 3.12Å
507Q52.1Low57.8Low98 Ų98100.5 Ų100.546%0.45849%0.486SS..Hα-helixtrans-62.2-39.4176.4-76.2176.3-20.900111.9S503 H504 E505 L510 L511S503-Q507 WeakPolarHBondContact O-CG 3.47Å; S503-Q507 PolarHBondContact O-N 2.88Å; H504-Q507 PolarHBondContact O-N 3.39Å; E505-Q507 PolarHBondContact O-N 3.16Å; Q507-L510 PolarHBondContact O-N 2.94Å; Q507-L511 PolarHBondContact O-N 3.42Å
508T62.1Low58.8Low67 Ų67101 Ų10141%0.41149%0.487SS..Hα-helixtrans-69-44.6-179.8-50.50000111.3H504 E505 K506 L510 L511 V512H504-T508 WeakPolarHBondContact O-CB 3.27Å; H504-T508 PolarHBondContact O-N 2.94Å; H504-T508 PolarHBondContact O-OG1 2.88Å; E505-T508 PolarHBondContact O-N 3.36Å; K506-T508 VanDerWaalsContact C-N 3.3Å; K506-T508 PolarHBondContact O-N 2.91Å; T508-L510 VanDerWaalsContact C-N 3.26Å; T508-L510 PolarHBondContact O-N 3.38Å; T508-L511 WeakPolarHBondContact O-CB 3.32Å; T508-L511 PolarHBondContact O-N 2.83Å; T508-V512 WeakPolarHBondContact O-CG2 3.45Å; T508-V512 PolarHBondContact O-N 2.84Å
509E65.6Low60.1Low118 Ų118101.4 Ų101.455%0.55149%0.486SS*.Hα-helixtrans-57.8-42.6175.3-174.6177.1-17600111.2E505 V512 Q513E505-E509 PolarHBondContact O-N 2.91Å; E509-V512 PolarHBondContact O-N 3.16Å; E509-Q513 WeakPolarHBondContact O-CG 3.42Å; E509-Q513 PolarHBondContact O-N 3.32Å
510L59Low61.5Low20 Ų2098.3 Ų98.311%0.10548%0.476CS..Hα-helixtrans-68.1-38.4179.4-142.1153000111.8M449 L452 K506 Q507 T508 V512 Q513 L514M449-L510 HydrophobicContact SD-CD1 3.69Å; L452-L510 HydrophobicContact CB-CD1 4.31Å; L452-L510 HydrophobicContact CB-CD2 4.18Å; L452-L510 HydrophobicContact CD1-CD1 4.4Å; L452-L510 HydrophobicContact CD1-CD2 3.61Å; L452-L510 HydrophobicContact CD2-CD2 4.25Å; L452-L510 HydrophobicContact CG-CD2 4.2Å; K506-L510 WeakPolarHBondContact O-CB 3.42Å; K506-L510 PolarHBondContact O-N 2.97Å; K506-L510 VanDerWaalsContact O-N 3.12Å; Q507-L510 PolarHBondContact O-N 2.94Å; T508-L510 VanDerWaalsContact C-N 3.26Å; T508-L510 PolarHBondContact O-N 3.38Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 3.42Å; L510-Q513 PolarHBondContact O-N 3.34Å; L510-L514 HydrophobicContact CD2-CD1 3.69Å; L510-L514 HydrophobicContact CD2-CG 4.31Å; L510-L514 WeakPolarHBondContact O-CB 3.35Å; L510-L514 PolarHBondContact O-N 2.91Å
511L61.1Low63.1Low84 Ų8496.8 Ų96.844%0.4447%0.468SS..Hα-helixtrans-62.5-40173.9-154.3103.7000111.8Q507 T508 L514 K515Q507-L511 PolarHBondContact O-N 3.42Å; T508-L511 WeakPolarHBondContact O-CB 3.32Å; T508-L511 PolarHBondContact O-N 2.83Å; L511-L514 PolarHBondContact O-N 2.83Å; L511-K515 WeakPolarHBondContact O-CB 3.49Å; L511-K515 PolarHBondContact O-N 3.47Å
512V68.4Low64.8Low94 Ų9493.4 Ų93.457%0.5746%0.457SS*.Hα-helixtrans-64.6-42.2175.1172.30000111T508 E509 L510 K515 R516T508-V512 WeakPolarHBondContact O-CG2 3.45Å; T508-V512 PolarHBondContact O-N 2.84Å; E509-V512 PolarHBondContact O-N 3.16Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 3.42Å; V512-K515 PolarHBondContact O-N 3.28Å; V512-R516 WeakPolarHBondContact O-CB 3.33Å; V512-R516 PolarHBondContact O-N 3.37Å
513Q62.3Low66.6Low60 Ų6086.1 Ų86.128%0.2844%0.436SS..Hα-helixtrans-65.1-43176.2-72.5-176.1-0.600112.4E509 L510 R516 C517E509-Q513 WeakPolarHBondContact O-CG 3.42Å; E509-Q513 PolarHBondContact O-N 3.32Å; L510-Q513 PolarHBondContact O-N 3.34Å; Q513-R516 WeakPolarHBondContact O-CB 3.39Å; Q513-R516 PolarHBondContact O-N 2.89Å; Q513-C517 PolarHBondContact O-N 2.79Å; Q513-C517 PolarHBondContact O-SG 2.73Å
514L64.2Low68.4Low46 Ų4686 Ų8624%0.24143%0.432CS..Hα-helixtrans-60.9-47175.1-88.7156.6000111.7I440 L510 L511 R516 C517 M518I440-L514 HydrophobicContact CD1-CD1 3.29Å; L510-L514 HydrophobicContact CD2-CD1 3.69Å; L510-L514 HydrophobicContact CD2-CG 4.31Å; L510-L514 WeakPolarHBondContact O-CB 3.35Å; L510-L514 PolarHBondContact O-N 2.91Å; L511-L514 PolarHBondContact O-N 2.83Å; L514-R516 VanDerWaalsContact C-N 3.29Å; L514-R516 PolarHBondContact O-N 3.39Å; L514-C517 PolarHBondContact O-N 3Å; L514-C517 VanDerWaalsContact O-N 3.08Å; L514-M518 WeakPolarHBondContact O-CG 3.34Å; L514-M518 PolarHBondContact O-N 3.28Å
515K68.2Low70.2Confident133 Ų13382.1 Ų82.158%0.57842%0.417SS*.Hα-helixtrans-55.7-46.4174.7-177.1178.7175.3-176.60110.9L511 V512 C517 M518 E519L511-K515 WeakPolarHBondContact O-CB 3.49Å; L511-K515 PolarHBondContact O-N 3.47Å; V512-K515 PolarHBondContact O-N 3.28Å; K515-C517 VanDerWaalsContact C-N 3.33Å; K515-C517 PolarHBondContact O-N 2.65Å; K515-M518 PolarHBondContact O-N 2.89Å; K515-E519 WeakPolarHBondContact CE-OE1 3.23Å; K515-E519 WeakPolarHBondContact O-CG 3.41Å; K515-E519 PolarHBondContact O-N 3.34Å
516R69Low71.8Confident131 Ų13177.2 Ų77.249%0.49439%0.394SS..Hα-helixtrans-61.9-38.4176.2-171177.9-178.3179.11.1112.6V512 Q513 L514 E519 L520V512-R516 WeakPolarHBondContact O-CB 3.33Å; V512-R516 PolarHBondContact O-N 3.37Å; Q513-R516 WeakPolarHBondContact O-CB 3.39Å; Q513-R516 PolarHBondContact O-N 2.89Å; L514-R516 VanDerWaalsContact C-N 3.29Å; L514-R516 PolarHBondContact O-N 3.39Å; R516-E519 PolarHBondContact O-N 2.96Å; R516-L520 HydrophobicContact CG-CD1 4.44Å; R516-L520 VanDerWaalsContact O-CG 3.28Å; R516-L520 WeakPolarHBondContact O-CG 3.49Å; R516-L520 PolarHBondContact O-N 3.49Å
517C67.4Low73.5Confident66 Ų6676 Ų7645%0.44639%0.386SS..Hα-helixtrans-67.5-39.9176.2-65.70000111.7Q513 L514 K515 L520 D521Q513-C517 PolarHBondContact O-N 2.79Å; Q513-C517 PolarHBondContact O-SG 2.73Å; L514-C517 PolarHBondContact O-N 3Å; L514-C517 VanDerWaalsContact O-N 3.08Å; K515-C517 VanDerWaalsContact C-N 3.33Å; K515-C517 PolarHBondContact O-N 2.65Å; C517-L520 PolarHBondContact O-N 3.11Å; C517-D521 PolarHBondContact O-N 2.96Å
518M71.9Confident75.3Confident118 Ų11877.3 Ų77.358%0.58139%0.39SS*.Hα-helixtrans-66.8-37.4175.8-68.6-179.271.100112.2L514 K515 L520 D521 V524L514-M518 WeakPolarHBondContact O-CG 3.34Å; L514-M518 PolarHBondContact O-N 3.28Å; K515-M518 PolarHBondContact O-N 2.89Å; M518-L520 PolarHBondContact O-N 3.14Å; M518-D521 VanDerWaalsContact O-CB 3.31Å; M518-D521 WeakPolarHBondContact O-CB 3.43Å; M518-D521 PolarHBondContact O-N 3.43Å; M518-V524 WeakPolarHBondContact O-CG2 3.32Å
519E75.1Confident76.7Confident105 Ų10575.2 Ų75.249%0.49138%0.375SS..Hα-helixtrans-65.9-24.1175.5-75.1173.7177.400113.1K515 R516K515-E519 WeakPolarHBondContact CE-OE1 3.23Å; K515-E519 WeakPolarHBondContact O-CG 3.41Å; K515-E519 PolarHBondContact O-N 3.34Å; R516-E519 PolarHBondContact O-N 2.96Å
520L76.9Confident77.9Confident97 Ų9769.6 Ų69.651%0.50835%0.349SS..THydrogen-bonded Turntrans-91.4-3.6176.5-66.4172.4000113.2R516 C517 M518 V522R516-L520 HydrophobicContact CG-CD1 4.44Å; R516-L520 VanDerWaalsContact O-CG 3.28Å; R516-L520 WeakPolarHBondContact O-CG 3.49Å; R516-L520 PolarHBondContact O-N 3.49Å; C517-L520 PolarHBondContact O-N 3.11Å; M518-L520 PolarHBondContact O-N 3.14Å; L520-V522 PolarHBondContact O-N 3.49Å
521D83.5Confident79.3Confident84 Ų8473.8 Ų73.845%0.44937%0.368SS..SBendtrans-61.6133.2175.2-173.6-77.3000110C517 M518 A523 V524 V525C517-D521 PolarHBondContact O-N 2.96Å; M518-D521 VanDerWaalsContact O-CB 3.31Å; M518-D521 WeakPolarHBondContact O-CB 3.43Å; M518-D521 PolarHBondContact O-N 3.43Å; D521-A523 PolarHBondContact O-N 2.93Å; D521-A523 VanDerWaalsContact O-N 3.13Å; D521-A523 VanDerWaalsContact OD1-CB 3.23Å; D521-A523 WeakPolarHBondContact OD1-CB 3.3Å; D521-A523 PolarHBondContact OD1-N 3.03Å; D521-V524 HydrophobicContact CB-CG2 4.27Å; D521-V524 WeakPolarHBondContact O-CA 3.48Å; D521-V524 WeakPolarHBondContact O-CB 3.33Å; D521-V524 PolarHBondContact O-N 3.15Å; D521-V525 WeakPolarHBondContact O-CG2 3.28Å; D521-V525 PolarHBondContact O-N 3.34Å
522V88.7Confident80.6Confident47 Ų4773.9 Ų73.929%0.28537%0.368SS..Hα-helixtrans-59.1-30.6-174.271.40000112.4L520 V525 M526 D829L520-V522 PolarHBondContact O-N 3.49Å; V522-V525 PolarHBondContact O-N 3.31Å; V522-M526 HydrophobicContact CG1-CE 4.24Å; V522-M526 HydrophobicContact CG2-CE 4.13Å; V522-M526 HydrophobicContact CG2-CG 4.36Å; V522-M526 WeakPolarHBondContact O-CB 3.48Å; V522-M526 VanDerWaalsContact O-CG 3.26Å; V522-M526 WeakPolarHBondContact O-CG 3.2Å; V522-M526 PolarHBondContact O-N 3.1Å; V522-D829 HydrophobicContact CG2-CB 4Å
523A87.3Confident81.5Confident27 Ų2769.5 Ų69.522%0.22334%0.342CS..Hα-helixtrans-66.8-37.8175.300000112.1D521 R527 W936D521-A523 PolarHBondContact O-N 2.93Å; D521-A523 VanDerWaalsContact O-N 3.13Å; D521-A523 VanDerWaalsContact OD1-CB 3.23Å; D521-A523 WeakPolarHBondContact OD1-CB 3.3Å; D521-A523 PolarHBondContact OD1-N 3.03Å; A523-R527 WeakPolarHBondContact O-CB 3.42Å; A523-R527 PolarHBondContact O-N 2.92Å; A523-R527 VanDerWaalsContact O-N 3.1Å; A523-W936 HydrophobicContact CB-CZ2 3.71Å
524V85.8Confident82.9Confident60 Ų6066.7 Ų66.736%0.36433%0.329SS..Hα-helixtrans-71.3-42.5175.8179.20000110.4M518 D521 R527 K528M518-V524 WeakPolarHBondContact O-CG2 3.32Å; D521-V524 HydrophobicContact CB-CG2 4.27Å; D521-V524 WeakPolarHBondContact O-CA 3.48Å; D521-V524 WeakPolarHBondContact O-CB 3.33Å; D521-V524 PolarHBondContact O-N 3.15Å; V524-R527 PolarHBondContact O-N 3.44Å; V524-K528 WeakPolarHBondContact O-CB 3.39Å; V524-K528 PolarHBondContact O-N 3.15Å
525V90.8Very high83.9Confident40 Ų4064.5 Ų64.524%0.24232%0.318CS..Hα-helixtrans-59.9-48.7175.71750000111D521 V522 R527 K528 R529D521-V525 WeakPolarHBondContact O-CG2 3.28Å; D521-V525 PolarHBondContact O-N 3.34Å; V522-V525 PolarHBondContact O-N 3.31Å; V525-R527 VanDerWaalsContact C-N 3.34Å; V525-R527 PolarHBondContact O-N 2.78Å; V525-K528 PolarHBondContact O-N 3.46Å; V525-R529 HydrophobicContact CG1-CG 4.49Å; V525-R529 WeakPolarHBondContact O-CB 3.2Å; V525-R529 WeakPolarHBondContact O-CG 3.42Å; V525-R529 PolarHBondContact O-N 3.35Å
526M93.2Very high84.3Confident6 Ų658.7 Ų58.73%0.0329%0.293CS..Hα-helixtrans-60.5-42.7178.1-76.4-171.5-74.900111.9V522 R529 A530 V830 Q831 L932 W936V522-M526 HydrophobicContact CG1-CE 4.24Å; V522-M526 HydrophobicContact CG2-CE 4.13Å; V522-M526 HydrophobicContact CG2-CG 4.36Å; V522-M526 WeakPolarHBondContact O-CB 3.48Å; V522-M526 VanDerWaalsContact O-CG 3.26Å; V522-M526 WeakPolarHBondContact O-CG 3.2Å; V522-M526 PolarHBondContact O-N 3.1Å; M526-R529 PolarHBondContact O-N 2.94Å; M526-A530 PolarHBondContact O-N 3.36Å; M526-V830 HydrophobicContact SD-CG1 4.24Å; M526-Q831 VanDerWaalsContact CA-OE1 3.3Å; M526-Q831 HydrophobicContact CB-CB 4.31Å; M526-Q831 HydrophobicContact CG-CB 3.75Å; M526-Q831 PolarHBondContact O-NE2 3.13Å; M526-Q831 PolarHBondContact O-OE1 2.89Å; M526-Q831 HydrophobicContact SD-CB 3.63Å; M526-L932 HydrophobicContact CE-CD1 3.97Å; M526-L932 HydrophobicContact SD-CD1 4.4Å; M526-W936 HydrophobicContact CB-CH2 3.62Å; M526-W936 HydrophobicContact CB-CZ3 4Å; M526-W936 HydrophobicContact CE-CH2 3.96Å; M526-W936 HydrophobicContact CE-CZ2 4.36Å; M526-W936 HydrophobicContact SD-CH2 4.39Å
527R90.6Very high84.1Confident94 Ų9458.8 Ų58.836%0.35530%0.303SS..Hα-helixtrans-60.2-50.9176.3-172-177.2-53.8-177.84.8111.9A523 V524 V525 R529 A530 E531 W936 M938A523-R527 WeakPolarHBondContact O-CB 3.42Å; A523-R527 PolarHBondContact O-N 2.92Å; A523-R527 VanDerWaalsContact O-N 3.1Å; V524-R527 PolarHBondContact O-N 3.44Å; V525-R527 VanDerWaalsContact C-N 3.34Å; V525-R527 PolarHBondContact O-N 2.78Å; R527-R529 VanDerWaalsContact C-N 3.3Å; R527-R529 PolarHBondContact O-N 3.11Å; R527-A530 WeakPolarHBondContact O-CB 3.41Å; R527-A530 PolarHBondContact O-N 2.9Å; R527-A530 VanDerWaalsContact O-N 3.09Å; R527-E531 WeakPolarHBondContact O-CG 3.42Å; R527-E531 PolarHBondContact O-N 3.44Å; R527-W936 HydrophobicContact CB-CE3 4.15Å; R527-W936 HydrophobicContact CB-CZ3 4.29Å; R527-W936 HydrophobicContact CG-CE3 4.45Å; R527-M938 HydrophobicContact CB-SD 4.43Å; R527-M938 HydrophobicContact CG-CE 4.13Å; R527-M938 HydrophobicContact CG-SD 3.59Å; R527-M938 VanDerWaalsContact CG-SD 3.59Å
528K89.6Confident83.5Confident127 Ų12760.4 Ų60.455%0.55231%0.306SS*.Hα-helixtrans-61-39.6178.3-173.4178.7179.5-176.10111.7V524 V525 E531 L532V524-K528 WeakPolarHBondContact O-CB 3.39Å; V524-K528 PolarHBondContact O-N 3.15Å; V525-K528 PolarHBondContact O-N 3.46Å; K528-E531 PolarHBondContact O-N 3.03Å; K528-L532 HydrophobicContact CG-CD1 4.37Å; K528-L532 VanDerWaalsContact O-CG 3.3Å; K528-L532 WeakPolarHBondContact O-CG 3.36Å; K528-L532 PolarHBondContact O-N 3.03Å
529R92.3Very high82.4Confident22 Ų2257.5 Ų57.58%0.08330%0.295CS..Hα-helixtrans-62.7-41.2174-76178.2-176.8166.5-0.4111.7V525 M526 R527 L532 G533 Y534 I546 D550 L553 D829V525-R529 HydrophobicContact CG1-CG 4.49Å; V525-R529 WeakPolarHBondContact O-CB 3.2Å; V525-R529 WeakPolarHBondContact O-CG 3.42Å; V525-R529 PolarHBondContact O-N 3.35Å; M526-R529 PolarHBondContact O-N 2.94Å; R527-R529 VanDerWaalsContact C-N 3.3Å; R527-R529 PolarHBondContact O-N 3.11Å; R529-L532 CarbonylContact O-C 3.6Å; R529-L532 PolarHBondContact O-N 3.42Å; R529-G533 PolarHBondContact O-N 2.92Å; R529-Y534 HydrophobicContact CB-CD1 3.96Å; R529-Y534 HydrophobicContact CB-CG 4.24Å; R529-Y534 HydrophobicContact CG-CD1 4.47Å; R529-Y534 WeakPolarHBondContact O-CB 3.48Å; R529-Y534 PolarHBondContact O-N 3.32Å; R529-I546 HydrophobicContact CG-CG2 4.35Å; R529-D550 IonicContact CZ-OD2 2.92Å; R529-D550 IonicContact NH2-OD2 3.45Å; R529-D550 PolarHBondContact NH2-OD2 2.75Å; R529-L553 VanDerWaalsContact CZ-CD1 3.41Å; R529-D829 IonicContact NH1-OD2 3.58Å; R529-D829 PolarHBondContact NH1-OD2 3.14Å
530A90.5Very high81.5Confident1 Ų156.8 Ų56.81%0.00832%0.316CS..Hα-helixtrans-64.1-41.417600000112M526 R527 L532 G533 L933 M938 Y941M526-A530 PolarHBondContact O-N 3.36Å; R527-A530 WeakPolarHBondContact O-CB 3.41Å; R527-A530 PolarHBondContact O-N 2.9Å; R527-A530 VanDerWaalsContact O-N 3.09Å; A530-L532 VanDerWaalsContact C-N 3.27Å; A530-L532 PolarHBondContact O-N 3.1Å; A530-G533 PolarHBondContact O-N 2.81Å; A530-L933 HydrophobicContact CB-CD2 4.31Å; A530-M938 HydrophobicContact CB-CE 3.8Å; A530-M938 HydrophobicContact CB-SD 4.38Å; A530-Y941 WeakPolarHBondContact O-CD1 3.48Å
531E89.1Confident80.4Confident108 Ų10854 Ų5451%0.50531%0.307SS..Hα-helixtrans-61.3-35.1173.7-68.8170.3175.500112.5R527 K528 G533 M938R527-E531 WeakPolarHBondContact O-CG 3.42Å; R527-E531 PolarHBondContact O-N 3.44Å; K528-E531 PolarHBondContact O-N 3.03Å; E531-G533 PolarHBondContact O-N 3.27Å; E531-M938 HydrophobicContact CG-CE 3.68Å
532L88.6Confident80.3Confident85 Ų8552.6 Ų52.645%0.44530%0.302SS..THydrogen-bonded Turntrans-78.30.1174.5-67.9173.2000113.7K528 R529 A530 I546K528-L532 HydrophobicContact CG-CD1 4.37Å; K528-L532 VanDerWaalsContact O-CG 3.3Å; K528-L532 WeakPolarHBondContact O-CG 3.36Å; K528-L532 PolarHBondContact O-N 3.03Å; R529-L532 CarbonylContact O-C 3.6Å; R529-L532 PolarHBondContact O-N 3.42Å; A530-L532 VanDerWaalsContact C-N 3.27Å; A530-L532 PolarHBondContact O-N 3.1Å; L532-I546 HydrophobicContact CB-CG1 4.39Å; L532-I546 HydrophobicContact CB-CG2 3.79Å; L532-I546 HydrophobicContact CD1-CG2 4.14Å; L532-I546 VanDerWaalsContact O-CD1 3.31Å; L532-I546 WeakPolarHBondContact O-CD1 3.48Å
533G87.5Confident80.2Confident3 Ų352.3 Ų52.33%0.03130%0.296CS..THydrogen-bonded Turntrans9013.6178.300000115.2R529 A530 E531 G535 L536R529-G533 PolarHBondContact O-N 2.92Å; A530-G533 PolarHBondContact O-N 2.81Å; E531-G533 PolarHBondContact O-N 3.27Å; G533-G535 PolarHBondContact O-N 3.18Å; G533-L536 CarbonylContact O-C 3.58Å; G533-L536 WeakPolarHBondContact O-CA 3.38Å; G533-L536 WeakPolarHBondContact O-CB 3.28Å; G533-L536 PolarHBondContact O-N 3.15Å
534Y90.8Very high80.2Confident1 Ų152.8 Ų52.80%0.00430%0.296CS..THydrogen-bonded Turntrans-64.1122.6178.7-171.6-131.3000111.5R529 L536 Y543 V547 W557 Q831 S832 I835R529-Y534 HydrophobicContact CB-CD1 3.96Å; R529-Y534 HydrophobicContact CB-CG 4.24Å; R529-Y534 HydrophobicContact CG-CD1 4.47Å; R529-Y534 WeakPolarHBondContact O-CB 3.48Å; R529-Y534 PolarHBondContact O-N 3.32Å; Y534-L536 VanDerWaalsContact C-N 3.27Å; Y534-Y543 AromaticContact CD2-CD1 3.91Å; Y534-Y543 HydrophobicContact CD2-CD1 3.91Å; Y534-Y543 HydrophobicContact CD2-CD2 4.47Å; Y534-Y543 HydrophobicContact CD2-CE1 4.34Å; Y534-Y543 AromaticContact CD2-CG 3.99Å; Y534-Y543 HydrophobicContact CD2-CG 3.99Å; Y534-Y543 HydrophobicContact CE2-CD1 4.41Å; Y534-Y543 HydrophobicContact CE2-CD2 4.21Å; Y534-Y543 HydrophobicContact CE2-CG 4.02Å; Y534-V547 HydrophobicContact CD2-CG1 4.15Å; Y534-V547 HydrophobicContact CE1-CG1 4.46Å; Y534-V547 HydrophobicContact CE2-CG1 3.83Å; Y534-W557 AromaticContact CE2-CE2 3.98Å; Y534-W557 HydrophobicContact CE2-CZ2 4.17Å; Y534-W557 AromaticContact CE2-NE1 3.48Å; Y534-W557 AromaticContact CZ-NE1 3.63Å; Y534-W557 PolarHBondContact OH-NE1 2.83Å; Y534-Q831 HydrophobicContact CD1-CG 3.89Å; Y534-Q831 HydrophobicContact CE1-CG 4.09Å; Y534-S832 WeakPolarHBondContact CE1-OG 3.43Å; Y534-S832 PolarHBondContact OH-OG 2.9Å; Y534-S832 VanDerWaalsContact OH-OG 3.06Å; Y534-I835 HydrophobicContact CD1-CD1 3.62Å; Y534-I835 HydrophobicContact CD2-CD1 4.48Å; Y534-I835 HydrophobicContact CE1-CD1 3.68Å; Y534-I835 HydrophobicContact CG-CD1 4.05Å
535G85Confident80.2Confident0 Ų055.2 Ų55.20%030%0.303CS..THydrogen-bonded Turntrans86-10.9-17200000114.1G533 Y543 I835 Y949G533-G535 PolarHBondContact O-N 3.18Å; G535-Y543 VanDerWaalsContact C-OH 3.3Å; G535-Y543 VanDerWaalsContact CA-OH 3.25Å; G535-Y543 WeakPolarHBondContact CA-OH 3.47Å; G535-I835 VanDerWaalsContact CA-CD1 3.44Å; G535-Y949 WeakPolarHBondContact O-CE2 3.22Å; G535-Y949 PolarHBondContact O-OH 3.34Å
536L76.5Confident80.1Confident11 Ų1154.2 Ų54.26%0.05830%0.296CS..  trans-102.1126.2176.4-56-179.8000108.3G533 Y534 I538 Y941 D944 F945G533-L536 CarbonylContact O-C 3.58Å; G533-L536 WeakPolarHBondContact O-CA 3.38Å; G533-L536 WeakPolarHBondContact O-CB 3.28Å; G533-L536 PolarHBondContact O-N 3.15Å; Y534-L536 VanDerWaalsContact C-N 3.27Å; L536-I538 HydrophobicContact CB-CB 4.17Å; L536-I538 HydrophobicContact CB-CD1 4.06Å; L536-I538 HydrophobicContact CB-CG1 4.03Å; L536-I538 HydrophobicContact CD1-CD1 4.48Å; L536-I538 PolarHBondContact O-N 3.25Å; L536-Y941 HydrophobicContact CD1-CD1 3.95Å; L536-D944 HydrophobicContact CD1-CB 4.13Å; L536-D944 HydrophobicContact CD2-CB 3.75Å; L536-F945 VanDerWaalsContact CD2-CA 3.5Å; L536-F945 HydrophobicContact CD2-CB 3.87Å; L536-F945 VanDerWaalsContact CD2-N 3.25Å
537D65.8Low80Confident133 Ų13354 Ų5471%0.71130%0.295SS*.THydrogen-bonded Turntrans-78.130.3176.6-152.79.6000111.6T948D537-T948 HydrophobicContact CB-CG2 4.17Å
538I53.2Low79.8Confident99 Ų9955.7 Ų55.751%0.50831%0.305SS..THydrogen-bonded Turntrans-104.4-21.2-162.6-60.5178.5000111.6L536 D944L536-I538 HydrophobicContact CB-CB 4.17Å; L536-I538 HydrophobicContact CB-CD1 4.06Å; L536-I538 HydrophobicContact CB-CG1 4.03Å; L536-I538 HydrophobicContact CD1-CD1 4.48Å; L536-I538 PolarHBondContact O-N 3.25Å; I538-D944 HydrophobicContact CD1-CB 3.54Å
539T50.7Low79.5Confident57 Ų5755.7 Ų55.735%0.3531%0.311SS..SBendtrans-107.9138.3-177.355.40000111.1A541T539-A541 PolarHBondContact O-N 3.38Å
540G54.7Low79.4Confident90 Ų9056.6 Ų56.693%0.92832%0.318SS*.SBendtrans-62.2-817400000114.9
541A55.4Low79.3Confident39 Ų3959.9 Ų59.932%0.32234%0.338SS..SBendtrans-77.7134.3173.700000111.3T539 E545 I546T539-A541 PolarHBondContact O-N 3.38Å; A541-E545 VanDerWaalsContact CA-OE2 3.29Å; A541-E545 WeakPolarHBondContact CA-OE2 3.12Å; A541-I546 HydrophobicContact CB-CG1 4.33Å
542T79.6Confident79.4Confident54 Ų5457.1 Ų57.133%0.33133%0.325SS..  trans-78.4155.2178.3660000111.4V544 E545 I546T542-V544 PolarHBondContact O-N 3.41Å; T542-V544 VanDerWaalsContact O-N 3.14Å; T542-E545 PolarHBondContact N-OE2 3.3Å; T542-E545 WeakPolarHBondContact O-CB 3.42Å; T542-E545 PolarHBondContact O-N 3.28Å; T542-E545 WeakPolarHBondContact OG1-CG 3.48Å; T542-I546 PolarHBondContact O-N 3.2Å; T542-I546 VanDerWaalsContact O-N 3.15Å
543Y88.2Confident79.6Confident42 Ų4253.1 Ų53.117%0.16530%0.304CS..Hα-helixtrans-57-32.4176.6-68.4-8.5000112.9Y534 G535 E545 I546 V547 W557 I835Y534-Y543 AromaticContact CD2-CD1 3.91Å; Y534-Y543 HydrophobicContact CD2-CD1 3.91Å; Y534-Y543 HydrophobicContact CD2-CD2 4.47Å; Y534-Y543 HydrophobicContact CD2-CE1 4.34Å; Y534-Y543 AromaticContact CD2-CG 3.99Å; Y534-Y543 HydrophobicContact CD2-CG 3.99Å; Y534-Y543 HydrophobicContact CE2-CD1 4.41Å; Y534-Y543 HydrophobicContact CE2-CD2 4.21Å; Y534-Y543 HydrophobicContact CE2-CG 4.02Å; G535-Y543 VanDerWaalsContact C-OH 3.3Å; G535-Y543 VanDerWaalsContact CA-OH 3.25Å; G535-Y543 WeakPolarHBondContact CA-OH 3.47Å; Y543-E545 VanDerWaalsContact C-N 3.28Å; Y543-E545 PolarHBondContact O-N 3.33Å; Y543-I546 HydrophobicContact CD1-CD1 4.23Å; Y543-I546 PolarHBondContact O-N 3.46Å; Y543-V547 WeakPolarHBondContact O-CG2 3.45Å; Y543-V547 PolarHBondContact O-N 3.41Å; Y543-W557 AromaticContact CD2-CD2 3.86Å; Y543-W557 HydrophobicContact CD2-CD2 3.86Å; Y543-W557 AromaticContact CD2-CE2 3.77Å; Y543-W557 AromaticContact CD2-CE3 3.81Å; Y543-W557 HydrophobicContact CD2-CE3 3.81Å; Y543-W557 AromaticContact CD2-CH2 3.66Å; Y543-W557 HydrophobicContact CD2-CH2 3.66Å; Y543-W557 AromaticContact CD2-CZ2 3.69Å; Y543-W557 HydrophobicContact CD2-CZ2 3.69Å; Y543-W557 AromaticContact CD2-CZ3 3.72Å; Y543-W557 HydrophobicContact CD2-CZ3 3.72Å; Y543-W557 AromaticContact CE2-CH2 3.86Å; Y543-W557 HydrophobicContact CE2-CH2 3.86Å; Y543-W557 HydrophobicContact CE2-CZ2 4.12Å; Y543-W557 HydrophobicContact CE2-CZ3 4.15Å; Y543-W557 HydrophobicContact CG-CD2 4.45Å; Y543-I835 HydrophobicContact CE2-CG2 4.03Å
544V86.8Confident79.8Confident36 Ų3656.9 Ų56.922%0.21832%0.317CS..Hα-helixtrans-59.9-38.1174.6179.70000111.6T542 K548 R554 W557T542-V544 PolarHBondContact O-N 3.41Å; T542-V544 VanDerWaalsContact O-N 3.14Å; V544-K548 WeakPolarHBondContact O-CA 3.35Å; V544-K548 PolarHBondContact O-N 3.28Å; V544-R554 HydrophobicContact CG1-CG 3.98Å; V544-W557 HydrophobicContact CG2-CB 3.89Å
545E86.3Confident79.8Confident111 Ų11158.7 Ų58.752%0.51933%0.328SS..Hα-helixtrans-74.8-39.3178.1-69.1168.715600112.2A541 T542 Y543 V547 K548A541-E545 VanDerWaalsContact CA-OE2 3.29Å; A541-E545 WeakPolarHBondContact CA-OE2 3.12Å; T542-E545 PolarHBondContact N-OE2 3.3Å; T542-E545 WeakPolarHBondContact O-CB 3.42Å; T542-E545 PolarHBondContact O-N 3.28Å; T542-E545 WeakPolarHBondContact OG1-CG 3.48Å; Y543-E545 VanDerWaalsContact C-N 3.28Å; Y543-E545 PolarHBondContact O-N 3.33Å; E545-V547 VanDerWaalsContact C-N 3.34Å; E545-K548 WeakPolarHBondContact O-CB 3.33Å; E545-K548 WeakPolarHBondContact O-CG 3.28Å; E545-K548 PolarHBondContact O-N 3.16Å
546I88.6Confident80.3Confident19 Ų1958.7 Ų58.710%0.09733%0.328CS..Hα-helixtrans-66.5-39-179.7-59.9169.1000111R529 L532 A541 T542 Y543R529-I546 HydrophobicContact CG-CG2 4.35Å; L532-I546 HydrophobicContact CB-CG1 4.39Å; L532-I546 HydrophobicContact CB-CG2 3.79Å; L532-I546 HydrophobicContact CD1-CG2 4.14Å; L532-I546 VanDerWaalsContact O-CD1 3.31Å; L532-I546 WeakPolarHBondContact O-CD1 3.48Å; A541-I546 HydrophobicContact CB-CG1 4.33Å; T542-I546 PolarHBondContact O-N 3.2Å; T542-I546 VanDerWaalsContact O-N 3.15Å; Y543-I546 HydrophobicContact CD1-CD1 4.23Å; Y543-I546 PolarHBondContact O-N 3.46Å
547V90.2Very high81Confident2 Ų258.7 Ų58.71%0.01233%0.327CS..THydrogen-bonded Turntrans-99.620.1-178.7-54.30000113.1Y534 Y543 E545 D549 D550 L553 R554Y534-V547 HydrophobicContact CD2-CG1 4.15Å; Y534-V547 HydrophobicContact CE1-CG1 4.46Å; Y534-V547 HydrophobicContact CE2-CG1 3.83Å; Y543-V547 WeakPolarHBondContact O-CG2 3.45Å; Y543-V547 PolarHBondContact O-N 3.41Å; E545-V547 VanDerWaalsContact C-N 3.34Å; V547-D549 PolarHBondContact O-N 3.25Å; V547-D550 PolarHBondContact O-N 3.45Å; V547-L553 HydrophobicContact CB-CB 3.9Å; V547-L553 HydrophobicContact CB-CD1 4.36Å; V547-L553 HydrophobicContact CG1-CB 4.31Å; V547-L553 HydrophobicContact CG1-CD1 4.13Å; V547-L553 HydrophobicContact CG2-CB 3.76Å; V547-R554 HydrophobicContact CG2-CB 4.46Å
548K85.7Confident82.2Confident129 Ų12955 Ų5556%0.56131%0.31SS*.THydrogen-bonded Turntrans-54.6-30.7-174.467.6-175.8179.6-178.70114.4V544 E545 D550 R554V544-K548 WeakPolarHBondContact O-CA 3.35Å; V544-K548 PolarHBondContact O-N 3.28Å; E545-K548 WeakPolarHBondContact O-CB 3.33Å; E545-K548 WeakPolarHBondContact O-CG 3.28Å; E545-K548 PolarHBondContact O-N 3.16Å; K548-D550 VanDerWaalsContact C-N 3.32Å; K548-R554 PolarHBondContact O-NH1 3.24Å
549D84.1Confident84Confident128 Ų12850.6 Ų50.668%0.68429%0.287SS*.THydrogen-bonded Turntrans-79.6-15.1-179.4-57.9-36.2000112.6V547V547-D549 PolarHBondContact O-N 3.25Å
550D89.7Confident85.8Confident41 Ų4148 Ų4822%0.21927%0.271CS..  trans-103.5103.9178.2-172.3-37000110.1R529 V547 K548 Q552 L553 R554R529-D550 IonicContact CZ-OD2 2.92Å; R529-D550 IonicContact NH2-OD2 3.45Å; R529-D550 PolarHBondContact NH2-OD2 2.75Å; V547-D550 PolarHBondContact O-N 3.45Å; K548-D550 VanDerWaalsContact C-N 3.32Å; D550-Q552 VanDerWaalsContact C-N 3.29Å; D550-Q552 PolarHBondContact O-N 3.01Å; D550-Q552 PolarHBondContact OD1-N 2.88Å; D550-Q552 VanDerWaalsContact OD1-N 3.09Å; D550-L553 HydrophobicContact CB-CB 4.19Å; D550-L553 HydrophobicContact CB-CD1 4.22Å; D550-L553 HydrophobicContact CB-CG 4.5Å; D550-L553 PolarHBondContact O-N 2.87Å; D550-L553 PolarHBondContact OD1-N 2.9Å; D550-L553 VanDerWaalsContact OD1-N 3.15Å; D550-L553 WeakPolarHBondContact OD2-CD1 2.86Å; D550-R554 WeakPolarHBondContact O-CB 3.47Å; D550-R554 PolarHBondContact O-N 3.1Å
551V88Confident87.3Confident70 Ų7048.8 Ų48.842%0.42425%0.249SC..Hα-helixtrans-58.2-40.2-176.2179.60000112.1T555V551-T555 WeakPolarHBondContact O-CB 3.2Å; V551-T555 PolarHBondContact O-N 3.08Å; V551-T555 PolarHBondContact O-OG1 2.73Å
552Q92.1Very high88.8Confident50 Ų5050 Ų5023%0.23425%0.245CC..Hα-helixtrans-70.2-46.6-175.9-68.6-163.851.500111.6D550 M556 L803D550-Q552 VanDerWaalsContact C-N 3.29Å; D550-Q552 PolarHBondContact O-N 3.01Å; D550-Q552 PolarHBondContact OD1-N 2.88Å; D550-Q552 VanDerWaalsContact OD1-N 3.09Å; Q552-M556 WeakPolarHBondContact O-CB 3.37Å; Q552-M556 PolarHBondContact O-N 3.21Å; Q552-L803 HydrophobicContact CB-CB 4.3Å; Q552-L803 HydrophobicContact CB-CD1 4.36Å; Q552-L803 HydrophobicContact CB-CG 4.49Å; Q552-L803 VanDerWaalsContact OE1-N 3.11Å
553L94Very high89Confident0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-66.6-40.1177.3-71.7173.7000111.5R529 V547 D550 M556 W557 L803 S832R529-L553 VanDerWaalsContact CZ-CD1 3.41Å; V547-L553 HydrophobicContact CB-CB 3.9Å; V547-L553 HydrophobicContact CB-CD1 4.36Å; V547-L553 HydrophobicContact CG1-CB 4.31Å; V547-L553 HydrophobicContact CG1-CD1 4.13Å; V547-L553 HydrophobicContact CG2-CB 3.76Å; D550-L553 HydrophobicContact CB-CB 4.19Å; D550-L553 HydrophobicContact CB-CD1 4.22Å; D550-L553 HydrophobicContact CB-CG 4.5Å; D550-L553 PolarHBondContact O-N 2.87Å; D550-L553 PolarHBondContact OD1-N 2.9Å; D550-L553 VanDerWaalsContact OD1-N 3.15Å; D550-L553 WeakPolarHBondContact OD2-CD1 2.86Å; L553-M556 HydrophobicContact CD2-CE 3.81Å; L553-M556 PolarHBondContact O-N 3.28Å; L553-W557 WeakPolarHBondContact O-CB 3.11Å; L553-W557 PolarHBondContact O-N 2.8Å; L553-L803 HydrophobicContact CD2-CD1 3.48Å; L553-L803 VanDerWaalsContact CD2-CD1 3.48Å; L553-L803 HydrophobicContact CG-CD1 4.13Å; L553-S832 WeakPolarHBondContact CD1-OG 3.28Å
554R91.4Very high88.6Confident83 Ų8346.8 Ų46.831%0.31323%0.229SC..Hα-helixtrans-59.3-50.7177.6-172.7-178.666.8-117.80.8110.4V544 V547 K548 D550 M556 W557 T558V544-R554 HydrophobicContact CG1-CG 3.98Å; V547-R554 HydrophobicContact CG2-CB 4.46Å; K548-R554 PolarHBondContact O-NH1 3.24Å; D550-R554 WeakPolarHBondContact O-CB 3.47Å; D550-R554 PolarHBondContact O-N 3.1Å; R554-M556 VanDerWaalsContact C-N 3.34Å; R554-M556 PolarHBondContact O-N 3.24Å; R554-W557 PolarHBondContact O-N 3.2Å; R554-T558 WeakPolarHBondContact O-CB 3.34Å; R554-T558 PolarHBondContact O-N 3.36Å; R554-T558 PolarHBondContact O-OG1 2.97Å
555T90.1Very high88.4Confident38 Ų3849.6 Ų49.623%0.23324%0.243CC..Hα-helixtrans-59.9-43.6177.9-60.60000111.9V551 W559 E804V551-T555 WeakPolarHBondContact O-CB 3.2Å; V551-T555 PolarHBondContact O-N 3.08Å; V551-T555 PolarHBondContact O-OG1 2.73Å; T555-W559 WeakPolarHBondContact O-CB 3.39Å; T555-W559 PolarHBondContact O-N 3.19Å; T555-E804 HydrophobicContact CG2-CB 4.39Å; T555-E804 HydrophobicContact CG2-CG 3.94Å
556M94.4Very high87.9Confident1 Ų146 Ų461%0.00523%0.225CC..Hα-helixtrans-59.7-51.1176.9-175.9-171.772.300111.9Q552 L553 R554 W559 I560 L803 I806 V836Q552-M556 WeakPolarHBondContact O-CB 3.37Å; Q552-M556 PolarHBondContact O-N 3.21Å; L553-M556 HydrophobicContact CD2-CE 3.81Å; L553-M556 PolarHBondContact O-N 3.28Å; R554-M556 VanDerWaalsContact C-N 3.34Å; R554-M556 PolarHBondContact O-N 3.24Å; M556-W559 PolarHBondContact O-N 3.5Å; M556-I560 HydrophobicContact CG-CD1 3.99Å; M556-I560 WeakPolarHBondContact O-CG1 3.19Å; M556-I560 PolarHBondContact O-N 3.3Å; M556-L803 HydrophobicContact CB-CB 4.22Å; M556-L803 HydrophobicContact SD-CB 4.21Å; M556-L803 HydrophobicContact SD-CD1 3.97Å; M556-L803 HydrophobicContact SD-CD2 4.35Å; M556-L803 HydrophobicContact SD-CG 4.43Å; M556-I806 HydrophobicContact CG-CD1 3.5Å; M556-I806 VanDerWaalsContact CG-CD1 3.5Å; M556-I806 HydrophobicContact CG-CG2 4.14Å; M556-I806 HydrophobicContact SD-CD1 3.84Å; M556-V836 HydrophobicContact CE-CB 4.27Å; M556-V836 HydrophobicContact CE-CG2 4.01Å; M556-V836 HydrophobicContact SD-CG2 3.96Å
557W93Very high87.3Confident10 Ų1045.9 Ų45.94%0.03822%0.224CC..Hα-helixtrans-69.9-34.8-177.9-75.4117.8000113Y534 Y543 V544 L553 R554 W559 I560 K561 I835 V836 H839Y534-W557 AromaticContact CE2-CE2 3.98Å; Y534-W557 HydrophobicContact CE2-CZ2 4.17Å; Y534-W557 AromaticContact CE2-NE1 3.48Å; Y534-W557 AromaticContact CZ-NE1 3.63Å; Y534-W557 PolarHBondContact OH-NE1 2.83Å; Y543-W557 AromaticContact CD2-CD2 3.86Å; Y543-W557 HydrophobicContact CD2-CD2 3.86Å; Y543-W557 AromaticContact CD2-CE2 3.77Å; Y543-W557 AromaticContact CD2-CE3 3.81Å; Y543-W557 HydrophobicContact CD2-CE3 3.81Å; Y543-W557 AromaticContact CD2-CH2 3.66Å; Y543-W557 HydrophobicContact CD2-CH2 3.66Å; Y543-W557 AromaticContact CD2-CZ2 3.69Å; Y543-W557 HydrophobicContact CD2-CZ2 3.69Å; Y543-W557 AromaticContact CD2-CZ3 3.72Å; Y543-W557 HydrophobicContact CD2-CZ3 3.72Å; Y543-W557 AromaticContact CE2-CH2 3.86Å; Y543-W557 HydrophobicContact CE2-CH2 3.86Å; Y543-W557 HydrophobicContact CE2-CZ2 4.12Å; Y543-W557 HydrophobicContact CE2-CZ3 4.15Å; Y543-W557 HydrophobicContact CG-CD2 4.45Å; V544-W557 HydrophobicContact CG2-CB 3.89Å; L553-W557 WeakPolarHBondContact O-CB 3.11Å; L553-W557 PolarHBondContact O-N 2.8Å; R554-W557 PolarHBondContact O-N 3.2Å; W557-W559 VanDerWaalsContact C-N 3.31Å; W557-W559 PolarHBondContact O-N 2.99Å; W557-I560 HydrophobicContact CD2-CD1 4.39Å; W557-I560 HydrophobicContact CE3-CB 4.21Å; W557-I560 HydrophobicContact CE3-CD1 3.74Å; W557-I560 HydrophobicContact CE3-CG2 4.22Å; W557-I560 HydrophobicContact CH2-CD1 4.47Å; W557-I560 HydrophobicContact CZ3-CD1 3.78Å; W557-I560 HydrophobicContact CZ3-CG2 4.2Å; W557-I560 PolarHBondContact O-N 2.86Å; W557-K561 VanDerWaalsContact O-CB 3.32Å; W557-K561 WeakPolarHBondContact O-CB 3.46Å; W557-K561 PolarHBondContact O-N 2.8Å; W557-I835 HydrophobicContact CH2-CG2 3.97Å; W557-I835 HydrophobicContact CZ2-CG2 3.87Å; W557-V836 HydrophobicContact CZ2-CB 4.48Å; W557-H839 HydrophobicContact CH2-CB 4.46Å
558T90.1Very high86.4Confident56 Ų5649.8 Ų49.834%0.34425%0.245SC..Hα-helixtrans-59.6-44171.4-63.70000110.8R554 Y562 M659R554-T558 WeakPolarHBondContact O-CB 3.34Å; R554-T558 PolarHBondContact O-N 3.36Å; R554-T558 PolarHBondContact O-OG1 2.97Å; T558-Y562 VanDerWaalsContact O-CB 3.29Å; T558-Y562 WeakPolarHBondContact O-CB 3.15Å; T558-Y562 PolarHBondContact O-N 2.88Å; T558-M659 HydrophobicContact CG2-CE 4.09Å
559W90.6Very high85.8Confident6 Ų646.4 Ų46.42%0.02323%0.233CC..Hα-helixtrans-66.7-44.9177.4-175.884.7000112.8T555 M556 W557 K561 Y562 I563 F657 M659 I806 L807 L811T555-W559 WeakPolarHBondContact O-CB 3.39Å; T555-W559 PolarHBondContact O-N 3.19Å; M556-W559 PolarHBondContact O-N 3.5Å; W557-W559 VanDerWaalsContact C-N 3.31Å; W557-W559 PolarHBondContact O-N 2.99Å; W559-K561 VanDerWaalsContact C-N 3.34Å; W559-K561 PolarHBondContact O-N 3.14Å; W559-Y562 PolarHBondContact O-N 3.35Å; W559-I563 HydrophobicContact CD2-CD1 3.83Å; W559-I563 HydrophobicContact CD2-CG1 4.29Å; W559-I563 HydrophobicContact CE3-CD1 4.16Å; W559-I563 HydrophobicContact CH2-CD1 3.42Å; W559-I563 VanDerWaalsContact CH2-CD1 3.42Å; W559-I563 HydrophobicContact CZ2-CD1 2.99Å; W559-I563 HydrophobicContact CZ2-CG1 4.23Å; W559-I563 HydrophobicContact CZ3-CD1 3.97Å; W559-I563 PolarHBondContact O-N 2.92Å; W559-F657 HydrophobicContact CZ2-CD2 4.43Å; W559-F657 PolarHBondContact NE1-O 3.37Å; W559-M659 HydrophobicContact CB-CE 4.34Å; W559-I806 HydrophobicContact CD2-CG2 4.05Å; W559-I806 HydrophobicContact CE3-CG1 4.4Å; W559-I806 HydrophobicContact CE3-CG2 3.66Å; W559-I806 WeakPolarHBondContact CH2-O 3.49Å; W559-I806 HydrophobicContact CZ3-CG1 4.08Å; W559-I806 HydrophobicContact CZ3-CG2 4.09Å; W559-L807 HydrophobicContact CZ2-CD1 4.26Å; W559-L807 VanDerWaalsContact NE1-CD1 3.25Å; W559-L811 HydrophobicContact CZ3-CG 4.47Å
560I89.1Confident85Confident4 Ų444.5 Ų44.52%0.02123%0.228CC..Hα-helixtrans-59.2-46.3177-69170.6000110.7M556 W557 I563 N564 I806 L811 V836 H839M556-I560 HydrophobicContact CG-CD1 3.99Å; M556-I560 WeakPolarHBondContact O-CG1 3.19Å; M556-I560 PolarHBondContact O-N 3.3Å; W557-I560 HydrophobicContact CD2-CD1 4.39Å; W557-I560 HydrophobicContact CE3-CB 4.21Å; W557-I560 HydrophobicContact CE3-CD1 3.74Å; W557-I560 HydrophobicContact CE3-CG2 4.22Å; W557-I560 HydrophobicContact CH2-CD1 4.47Å; W557-I560 HydrophobicContact CZ3-CD1 3.78Å; W557-I560 HydrophobicContact CZ3-CG2 4.2Å; W557-I560 PolarHBondContact O-N 2.86Å; I560-I563 PolarHBondContact O-N 3.37Å; I560-N564 PolarHBondContact O-N 3.06Å; I560-N564 PolarHBondContact O-ND2 2.85Å; I560-I806 HydrophobicContact CD1-CD1 4.12Å; I560-I806 HydrophobicContact CG1-CD1 4.42Å; I560-L811 HydrophobicContact CD1-CD2 4.25Å; I560-L811 HydrophobicContact CG1-CD1 4.37Å; I560-L811 HydrophobicContact CG1-CD2 4.44Å; I560-V836 HydrophobicContact CD1-CG2 4.06Å; I560-H839 WeakPolarHBondContact CG2-CE1 3.46Å
561K86.9Confident83.8Confident106 Ų10648.4 Ų48.446%0.46125%0.248SC..Hα-helixtrans-60.1-51.6177-178.4-178.5177.2-176.40110.8W557 W559 I563 N564 D565W557-K561 VanDerWaalsContact O-CB 3.32Å; W557-K561 WeakPolarHBondContact O-CB 3.46Å; W557-K561 PolarHBondContact O-N 2.8Å; W559-K561 VanDerWaalsContact C-N 3.34Å; W559-K561 PolarHBondContact O-N 3.14Å; K561-I563 VanDerWaalsContact C-N 3.33Å; K561-I563 PolarHBondContact O-N 3.07Å; K561-N564 PolarHBondContact O-N 2.9Å; K561-D565 VanDerWaalsContact O-CG 3.29Å; K561-D565 PolarHBondContact O-N 3.03Å
562Y86.3Confident82.6Confident63 Ų6346.6 Ų46.625%0.24724%0.235CC..Hα-helixtrans-56.1-46.1-179.9173.2-96.2000112.3T558 W559 D565 Y566 R656 M659T558-Y562 VanDerWaalsContact O-CB 3.29Å; T558-Y562 WeakPolarHBondContact O-CB 3.15Å; T558-Y562 PolarHBondContact O-N 2.88Å; W559-Y562 PolarHBondContact O-N 3.35Å; Y562-D565 PolarHBondContact O-N 3.13Å; Y562-Y566 WeakPolarHBondContact O-CB 3.25Å; Y562-Y566 PolarHBondContact O-N 2.94Å; Y562-R656 VanDerWaalsContact CE1-O 3.25Å; Y562-R656 WeakPolarHBondContact CE1-O 3.45Å; Y562-R656 PolarHBondContact OH-O 2.75Å; Y562-M659 VanDerWaalsContact CB-CE 3.43Å; Y562-M659 HydrophobicContact CD1-CE 3.89Å; Y562-M659 HydrophobicContact CD1-CG 3.75Å; Y562-M659 HydrophobicContact CD2-CE 4.29Å; Y562-M659 HydrophobicContact CD2-CG 4Å; Y562-M659 HydrophobicContact CE1-CG 3.75Å; Y562-M659 HydrophobicContact CE2-CB 4.47Å; Y562-M659 HydrophobicContact CE2-CG 3.99Å; Y562-M659 HydrophobicContact CG-CE 3.6Å; Y562-M659 HydrophobicContact CG-CG 3.88Å; Y562-M659 HydrophobicContact CG-SD 4.34Å
563I83.1Confident80.9Confident3 Ų349.9 Ų49.92%0.01525%0.246CC..Hα-helixtrans-66.9-39.2179.5-74.1-165.2000111.9W559 I560 K561 Y566 M567 F657W559-I563 HydrophobicContact CD2-CD1 3.83Å; W559-I563 HydrophobicContact CD2-CG1 4.29Å; W559-I563 HydrophobicContact CE3-CD1 4.16Å; W559-I563 HydrophobicContact CH2-CD1 3.42Å; W559-I563 VanDerWaalsContact CH2-CD1 3.42Å; W559-I563 HydrophobicContact CZ2-CD1 2.99Å; W559-I563 HydrophobicContact CZ2-CG1 4.23Å; W559-I563 HydrophobicContact CZ3-CD1 3.97Å; W559-I563 PolarHBondContact O-N 2.92Å; I560-I563 PolarHBondContact O-N 3.37Å; K561-I563 VanDerWaalsContact C-N 3.33Å; K561-I563 PolarHBondContact O-N 3.07Å; I563-Y566 PolarHBondContact O-N 3.15Å; I563-M567 HydrophobicContact CG2-CG 4.03Å; I563-M567 VanDerWaalsContact O-CB 3.24Å; I563-M567 WeakPolarHBondContact O-CB 3.31Å; I563-M567 WeakPolarHBondContact O-CG 3.21Å; I563-M567 PolarHBondContact O-N 2.86Å; I563-F657 HydrophobicContact CD1-CD2 3.81Å; I563-F657 HydrophobicContact CD1-CE2 3.84Å; I563-F657 HydrophobicContact CD1-CG 4.3Å; I563-F657 HydrophobicContact CD1-CZ 4.37Å
564N81.1Confident78.9Confident27 Ų2758.2 Ų58.214%0.14428%0.277CS..Hα-helixtrans-60.6-51.4175.3-76-20.9000110.7I560 K561 Y566 M567 D568 L843I560-N564 PolarHBondContact O-N 3.06Å; I560-N564 PolarHBondContact O-ND2 2.85Å; K561-N564 PolarHBondContact O-N 2.9Å; N564-Y566 VanDerWaalsContact C-N 3.34Å; N564-Y566 PolarHBondContact O-N 2.99Å; N564-M567 PolarHBondContact O-N 3.35Å; N564-D568 WeakPolarHBondContact O-CB 3.38Å; N564-D568 PolarHBondContact O-N 3.16Å; N564-L843 VanDerWaalsContact OD1-CD2 3.24Å; N564-L843 WeakPolarHBondContact OD1-CD2 3.49Å
565D80.8Confident77.1Confident94 Ų9459.4 Ų59.450%0.50329%0.286SS..Hα-helixtrans-59.4-45.2178.9-64.8-15000110.9K561 Y562 M567 D568 D569K561-D565 VanDerWaalsContact O-CG 3.29Å; K561-D565 PolarHBondContact O-N 3.03Å; Y562-D565 PolarHBondContact O-N 3.13Å; D565-M567 PolarHBondContact O-N 3.5Å; D565-D568 PolarHBondContact O-N 3.39Å; D565-D569 PolarHBondContact O-N 3.09Å; D565-D569 VanDerWaalsContact O-N 3.15Å
566Y77.7Confident75.3Confident35 Ų3558.8 Ų58.814%0.13728%0.281CS..Hα-helixtrans-62.1-40.1177.5178.5-96.5000112.7Y562 I563 N564 D568 I572 R656 F657Y562-Y566 WeakPolarHBondContact O-CB 3.25Å; Y562-Y566 PolarHBondContact O-N 2.94Å; I563-Y566 PolarHBondContact O-N 3.15Å; N564-Y566 VanDerWaalsContact C-N 3.34Å; N564-Y566 PolarHBondContact O-N 2.99Å; Y566-D568 VanDerWaalsContact C-N 3.35Å; Y566-I572 HydrophobicContact CD2-CD1 3.34Å; Y566-I572 HydrophobicContact CE1-CG2 3.93Å; Y566-I572 HydrophobicContact CE2-CD1 3.18Å; Y566-I572 HydrophobicContact CE2-CG1 4.09Å; Y566-I572 HydrophobicContact CE2-CG2 4.28Å; Y566-I572 HydrophobicContact CG-CD1 4.07Å; Y566-I572 WeakPolarHBondContact O-CD1 3.24Å; Y566-R656 HydrophobicContact CE2-CB 4.17Å; Y566-R656 WeakPolarHBondContact OH-CD 3.44Å; Y566-F657 HydrophobicContact CE1-CE1 4.35Å
567M74.6Confident72.8Confident18 Ų1863.5 Ų63.59%0.08931%0.306CS..Hα-helixtrans-82.5-12.1179.5-66.4-66.3-72.400113.4I563 N564 D565 R573 R605I563-M567 HydrophobicContact CG2-CG 4.03Å; I563-M567 VanDerWaalsContact O-CB 3.24Å; I563-M567 WeakPolarHBondContact O-CB 3.31Å; I563-M567 WeakPolarHBondContact O-CG 3.21Å; I563-M567 PolarHBondContact O-N 2.86Å; N564-M567 PolarHBondContact O-N 3.35Å; D565-M567 PolarHBondContact O-N 3.5Å; M567-R573 PolarHBondContact O-NE 2.96Å; M567-R605 HydrophobicContact CB-CG 4.03Å; M567-R605 HydrophobicContact CE-CG 4.12Å; M567-R605 HydrophobicContact CG-CG 4.23Å; M567-R605 PolarHBondContact O-NH2 2.83Å
568D72Confident70.3Confident84 Ų8466.1 Ų66.145%0.44932%0.323SS..Hα-helixtrans-90.4-16.8172.3-82.1-46.4000112.8N564 D565 Y566 P570 R605N564-D568 WeakPolarHBondContact O-CB 3.38Å; N564-D568 PolarHBondContact O-N 3.16Å; D565-D568 PolarHBondContact O-N 3.39Å; Y566-D568 VanDerWaalsContact C-N 3.35Å; D568-P570 VanDerWaalsContact O-CD 3.3Å; D568-P570 WeakPolarHBondContact O-CD 3.29Å; D568-R605 VanDerWaalsContact CG-NH1 3.25Å; D568-R605 VanDerWaalsContact CG-NH2 3.32Å; D568-R605 IonicContact OD1-CZ 3.51Å; D568-R605 VanDerWaalsContact OD1-CZ 3.27Å; D568-R605 IonicContact OD1-NH1 2.73Å; D568-R605 PolarHBondContact OD1-NH1 3.12Å; D568-R605 IonicContact OD1-NH2 3.1Å; D568-R605 PolarHBondContact OD1-NH2 2.93Å; D568-R605 IonicContact OD2-CZ 3.96Å; D568-R605 IonicContact OD2-NH1 2.65Å; D568-R605 PolarHBondContact OD2-NH1 2.71Å; D568-R605 IonicContact OD2-NH2 3.98Å
569D72.8Confident67.9Low58 Ų5867.3 Ų67.331%0.3133%0.327SS..  trans-60.8117.4175.7-170.3-30.7000111.8D565 L571 I572 R573D565-D569 PolarHBondContact O-N 3.09Å; D565-D569 VanDerWaalsContact O-N 3.15Å; D569-L571 VanDerWaalsContact C-N 3.26Å; D569-L571 PolarHBondContact O-N 3.45Å; D569-L571 WeakPolarHBondContact OD1-CB 3.36Å; D569-L571 PolarHBondContact OD1-N 2.95Å; D569-I572 HydrophobicContact CB-CB 4.2Å; D569-I572 HydrophobicContact CB-CD1 3.69Å; D569-I572 HydrophobicContact CB-CG1 4.14Å; D569-I572 PolarHBondContact O-N 3.16Å; D569-R573 PolarHBondContact O-N 3.44Å; D569-R573 VanDerWaalsContact O-N 3.14Å
570P67.9Low65.3Low88 Ų8869.4 Ų69.457%0.57134%0.343SS*.Hα-helixtrans-60.7-31-179.8-21.131.6000114.2D568 R574D568-P570 VanDerWaalsContact O-CD 3.3Å; D568-P570 WeakPolarHBondContact O-CD 3.29Å; P570-R574 WeakPolarHBondContact O-CG 3.45Å; P570-R574 PolarHBondContact O-N 3.28Å
571L64.9Low62.7Low122 Ų12273.3 Ų73.364%0.63937%0.371SS*.Hα-helixtrans-69.8-39.7-179.5-63.9175.8000110.6D569 R574 H575D569-L571 VanDerWaalsContact C-N 3.26Å; D569-L571 PolarHBondContact O-N 3.45Å; D569-L571 WeakPolarHBondContact OD1-CB 3.36Å; D569-L571 PolarHBondContact OD1-N 2.95Å; L571-R574 PolarHBondContact O-N 3.3Å; L571-H575 PolarHBondContact O-N 2.97Å
572I62.3Low60.1Low32 Ų3275.5 Ų75.516%0.16438%0.383CS..Hα-helixtrans-69.8-42.6178.7-68.7163.7000110.5Y566 D569 R574 H575 L576Y566-I572 HydrophobicContact CD2-CD1 3.34Å; Y566-I572 HydrophobicContact CE1-CG2 3.93Å; Y566-I572 HydrophobicContact CE2-CD1 3.18Å; Y566-I572 HydrophobicContact CE2-CG1 4.09Å; Y566-I572 HydrophobicContact CE2-CG2 4.28Å; Y566-I572 HydrophobicContact CG-CD1 4.07Å; Y566-I572 WeakPolarHBondContact O-CD1 3.24Å; D569-I572 HydrophobicContact CB-CB 4.2Å; D569-I572 HydrophobicContact CB-CD1 3.69Å; D569-I572 HydrophobicContact CB-CG1 4.14Å; D569-I572 PolarHBondContact O-N 3.16Å; I572-R574 VanDerWaalsContact C-N 3.28Å; I572-R574 PolarHBondContact O-N 3.09Å; I572-H575 PolarHBondContact O-N 3.14Å; I572-H575 VanDerWaalsContact O-N 3.13Å; I572-L576 HydrophobicContact CG2-CD1 3.8Å; I572-L576 HydrophobicContact CG2-CG 4.4Å; I572-L576 WeakPolarHBondContact O-CG 3.39Å; I572-L576 PolarHBondContact O-N 3.24Å
573R56.4Low57.5Low120 Ų12076.2 Ų76.245%0.45340%0.397SS..Hα-helixtrans-55-43.1172.6-86-177.3176.3-166.3-1.4112.3M567 D569 L576 D577M567-R573 PolarHBondContact O-NE 2.96Å; D569-R573 PolarHBondContact O-N 3.44Å; D569-R573 VanDerWaalsContact O-N 3.14Å; R573-L576 PolarHBondContact O-N 3.44Å; R573-D577 PolarHBondContact O-N 3.24Å; R573-D577 VanDerWaalsContact O-N 3.15Å
574R52Low54.9Low175 Ų17582.9 Ų82.966%0.6643%0.433SS*.Hα-helixtrans-65.7-40.7176.4-74.1178.9-179.3167.41.7112.6P570 L571 I572 D577 V578P570-R574 WeakPolarHBondContact O-CG 3.45Å; P570-R574 PolarHBondContact O-N 3.28Å; L571-R574 PolarHBondContact O-N 3.3Å; I572-R574 VanDerWaalsContact C-N 3.28Å; I572-R574 PolarHBondContact O-N 3.09Å; R574-D577 PolarHBondContact O-N 3Å; R574-V578 VanDerWaalsContact O-CG2 3.28Å; R574-V578 WeakPolarHBondContact O-CG2 3.34Å; R574-V578 PolarHBondContact O-N 3.47Å
575H53.2Low52.4Low107 Ų10792.5 Ų92.550%0.49547%0.469SS..Hα-helixtrans-66.3-40.3179.1-155.871.1000111.7L571 I572 D577 V578 D579L571-H575 PolarHBondContact O-N 2.97Å; I572-H575 PolarHBondContact O-N 3.14Å; I572-H575 VanDerWaalsContact O-N 3.13Å; H575-D577 VanDerWaalsContact C-N 3.28Å; H575-D577 PolarHBondContact O-N 3.43Å; H575-V578 PolarHBondContact O-N 2.98Å; H575-D579 PolarHBondContact O-N 3.33Å; H575-D579 VanDerWaalsContact O-N 3.12Å
576L51.6Low49.9Very low26 Ų2694.2 Ų94.214%0.13648%0.482CS..Hα-helixtrans-59.2-37.3173.1-74.8159.8000112.5I572 R573 S580I572-L576 HydrophobicContact CG2-CD1 3.8Å; I572-L576 HydrophobicContact CG2-CG 4.4Å; I572-L576 WeakPolarHBondContact O-CG 3.39Å; I572-L576 PolarHBondContact O-N 3.24Å; R573-L576 PolarHBondContact O-N 3.44Å; L576-S580 PolarHBondContact O-OG 2.93Å
577D41.8Very low47.6Very low100 Ų10097.5 Ų97.554%0.53551%0.511SS..Hα-helixtrans-71.6-37.1175.6-74-26.1000112.4R573 R574 H575 S580R573-D577 PolarHBondContact O-N 3.24Å; R573-D577 VanDerWaalsContact O-N 3.15Å; R574-D577 PolarHBondContact O-N 3Å; H575-D577 VanDerWaalsContact C-N 3.28Å; H575-D577 PolarHBondContact O-N 3.43Å; D577-S580 WeakPolarHBondContact O-CB 3.49Å; D577-S580 PolarHBondContact O-N 2.87Å
578V41.8Very low45.6Very low64 Ų64103.8 Ų103.839%0.38854%0.544SS..Hα-helixtrans-72.1-40.3-176.5173.10000112.5R574 H575 S580 S581R574-V578 VanDerWaalsContact O-CG2 3.28Å; R574-V578 WeakPolarHBondContact O-CG2 3.34Å; R574-V578 PolarHBondContact O-N 3.47Å; H575-V578 PolarHBondContact O-N 2.98Å; V578-S580 PolarHBondContact O-N 3.39Å; V578-S581 PolarHBondContact O-N 3.46Å; V578-S581 PolarHBondContact O-OG 3.41Å
579D38.4Very low43.6Very low81 Ų81108.5 Ų108.543%0.43356%0.564SS.*THydrogen-bonded Turntrans-59.7-18.1176.7-80-15.2000112.9H575 S581H575-D579 PolarHBondContact O-N 3.33Å; H575-D579 VanDerWaalsContact O-N 3.12Å; D579-S581 VanDerWaalsContact C-N 3.33Å
580S37Very low41.6Very low51 Ų51117.2 Ų117.236%0.35759%0.592SS.*THydrogen-bonded Turntrans-77.7-15.2175.7-55.50000113.8L576 D577 V578L576-S580 PolarHBondContact O-OG 2.93Å; D577-S580 WeakPolarHBondContact O-CB 3.49Å; D577-S580 PolarHBondContact O-N 2.87Å; V578-S580 PolarHBondContact O-N 3.39Å
581S33.8Very low39.9Very low86 Ų86121.2 Ų121.260%0.60161%0.609SS**THydrogen-bonded Turntrans-110.3-12.9-167.867.20000115.8V578 D579V578-S581 PolarHBondContact O-N 3.46Å; V578-S581 PolarHBondContact O-OG 3.41Å; D579-S581 VanDerWaalsContact C-N 3.33Å
582Q32.3Very low38.2Very low151 Ų151118.4 Ų118.471%0.70661%0.61SS**  trans-94.24.5-172.8-69.5-167.710.100115.8N584Q582-N584 PolarHBondContact O-N 3.06Å
583S31.8Very low36.6Very low78 Ų78123.1 Ų123.155%0.54564%0.64SS.*SBendtrans-89.488.4169.762.90000110.5
584N29.1Very low35.6Very low144 Ų144125.2 Ų125.277%0.7766%0.66SS**  trans159.877.4147-80.6-12.9000110.7Q582Q582-N584 PolarHBondContact O-N 3.06Å
585Y28.1Very low34.6Very low229 Ų229122.4 Ų122.490%0.89867%0.668SS**  trans-13361.1160.8-85.3-78.5000109.9
586T28.6Very low33.7Very low129 Ų129124.7 Ų124.779%0.79168%0.682SS**  trans-137.9112.4163.7470000112.2
587S30Very low32.7Very low105 Ų105128.6 Ų128.673%0.73471%0.709SS**  trans79.2123153.986.40000120.7
588N31.6Very low32.2Very low149 Ų149128.9 Ų128.980%0.79772%0.718SS**  trans74.1105.7140-63.9-14.5000120.4
589Q30.9Very low31.9Very low184 Ų184134.3 Ų134.386%0.8674%0.737SS**  trans10.4110.9136.8-65.5179.9-100116.3
590R31.2Very low31.9Very low240 Ų240136.4 Ų136.491%0.90674%0.739SS**  177.9143.6114-95.1167.4-173.5-170.22.4111.3
591N31.5Very low32.4Very low172 Ų172144.7 Ų144.792%0.9276%0.762SS**  trans-46.9143.2178.3-62.2-26.9000114.4
592G28.5Very low33.1Very low64 Ų64143.9 Ų143.966%0.6675%0.753SS**  trans131.398.6147.800000116.4
593T30.1Very low34Very low131 Ų131137.8 Ų137.880%0.80473%0.727SS**  trans64.9121.714360.60000120.8
594D33.8Very low35.5Very low163 Ų163136.7 Ų136.787%0.87271%0.713SS**  trans62.680.9145.5-59.2-13.7000119.1
595S32.4Very low37.3Very low116 Ų116130.9 Ų130.981%0.81168%0.68SS**  trans-120.8107.7157.165.20000110.9
596I33.5Very low39.4Very low156 Ų156120 Ų12080%0.864%0.637SS**  trans-62.6124.9169.5-63.2164.2000108.3S598I596-S598 PolarHBondContact O-N 3.29Å
597P31.4Very low41.9Very low108 Ų108114.4 Ų114.470%0.70160%0.603SS**  trans-74.2123.4-175.927.7-30.8000110.9K599P597-K599 PolarHBondContact O-N 3.39Å; P597-K599 VanDerWaalsContact O-N 3.11Å
598S30.7Very low44.7Very low105 Ų105109.5 Ų109.573%0.73457%0.569SS**  trans-75.891.6178.2-61.70000110.3I596 R600I596-S598 PolarHBondContact O-N 3.29Å; S598-R600 PolarHBondContact O-N 3.2Å
599K36.3Very low47.6Very low178 Ų178102.4 Ų102.477%0.77453%0.532SS*.  trans-66.1111.1173.3-73-178.8177.4179.60109.9P597 R601P597-K599 PolarHBondContact O-N 3.39Å; P597-K599 VanDerWaalsContact O-N 3.11Å; K599-R601 PolarHBondContact O-N 2.97Å
600R37.8Very low50.3Low125 Ų12595 Ų9547%0.47250%0.498SS..PPolyproline II helixtrans-59.2128.5169.2-76.3179.2172.9175.4-4.2108.7S598S598-R600 PolarHBondContact O-N 3.2Å
601R46.6Very low52.9Low225 Ų22585.7 Ų85.785%0.84947%0.469SS*.PPolyproline II helixtrans-70.7129.3-179.5-71.3-178.9178.8-179.2-0.8109.6K599K599-R601 PolarHBondContact O-N 2.97Å
602V48.6Very low55.3Low69 Ų6978 Ų7842%0.41843%0.428SS..PPolyproline II helixtrans-57.8133.4169.4-176.20000108.3
603P51.7Low57.9Low23 Ų2376.7 Ų76.715%0.14941%0.406CS..PPolyproline II helixtrans-60.8141.3178.5-18.829.8000111.3L612P603-L612 HydrophobicContact CB-CD2 3.7Å; P603-L612 HydrophobicContact CG-CD2 3.84Å
604F63.2Low60.1Low56 Ų5672.8 Ų72.825%0.24638%0.383CS..PPolyproline II helixtrans-62.3139.4175.2-156.8-110.1000110.2G606 S607 C812 S844 D847F604-G606 PolarHBondContact O-N 3.48Å; F604-S607 WeakPolarHBondContact CB-OG 3.3Å; F604-S607 PolarHBondContact N-OG 3.27Å; F604-S607 VanDerWaalsContact O-CB 3.31Å; F604-S607 WeakPolarHBondContact O-CB 3.46Å; F604-S607 PolarHBondContact O-N 3.37Å; F604-S607 PolarHBondContact O-OG 3.07Å; F604-C812 HydrophobicContact CD1-CB 4.14Å; F604-C812 HydrophobicContact CE1-CB 4.13Å; F604-C812 WeakPolarHBondContact CE1-SG 3.43Å; F604-S844 WeakPolarHBondContact CZ-O 3.46Å; F604-D847 WeakPolarHBondContact CA-OD2 3.24Å; F604-D847 HydrophobicContact CD2-CB 3.53Å; F604-D847 WeakPolarHBondContact CD2-OD2 3.28Å; F604-D847 HydrophobicContact CE2-CB 3.33Å; F604-D847 HydrophobicContact CG-CB 4.41Å; F604-D847 WeakPolarHBondContact CG-OD2 3.4Å; F604-D847 HydrophobicContact CZ-CB 4.07Å
605R67Low61.3Low22 Ų2269.7 Ų69.78%0.08337%0.367CS..THydrogen-bonded Turntrans-53.9-24.6176.5-77.1-175.9178.5-146.4-6.8113.2M567 D568 D847M567-R605 HydrophobicContact CB-CG 4.03Å; M567-R605 HydrophobicContact CE-CG 4.12Å; M567-R605 HydrophobicContact CG-CG 4.23Å; M567-R605 PolarHBondContact O-NH2 2.83Å; D568-R605 VanDerWaalsContact CG-NH1 3.25Å; D568-R605 VanDerWaalsContact CG-NH2 3.32Å; D568-R605 IonicContact OD1-CZ 3.51Å; D568-R605 VanDerWaalsContact OD1-CZ 3.27Å; D568-R605 IonicContact OD1-NH1 2.73Å; D568-R605 PolarHBondContact OD1-NH1 3.12Å; D568-R605 IonicContact OD1-NH2 3.1Å; D568-R605 PolarHBondContact OD1-NH2 2.93Å; D568-R605 IonicContact OD2-CZ 3.96Å; D568-R605 IonicContact OD2-NH1 2.65Å; D568-R605 PolarHBondContact OD2-NH1 2.71Å; D568-R605 IonicContact OD2-NH2 3.98Å; R605-D847 WeakPolarHBondContact CB-OD2 3.39Å; R605-D847 WeakPolarHBondContact CD-OD1 3.38Å; R605-D847 WeakPolarHBondContact CG-OD1 3.42Å; R605-D847 PolarHBondContact N-OD2 2.98Å; R605-D847 IonicContact NE-OD1 3.47Å
606G71.3Confident62Low0 Ų068.6 Ų68.60%035%0.352CS..THydrogen-bonded Turntrans-9210.5176.500000116F604 G810 L811 C812F604-G606 PolarHBondContact O-N 3.48Å; G606-G810 CarbonylContact O-C 3.49Å; G606-G810 WeakPolarHBondContact O-CA 3.4Å; G606-L811 PolarHBondContact O-N 2.82Å; G606-C812 PolarHBondContact O-N 2.93Å
607S81.6Confident62.1Low12 Ų1266.8 Ų66.88%0.08435%0.353CS..BIsolated β-bridgetrans-75.9135.9-178.8-53.50000111.7F604 F657F604-S607 WeakPolarHBondContact CB-OG 3.3Å; F604-S607 PolarHBondContact N-OG 3.27Å; F604-S607 VanDerWaalsContact O-CB 3.31Å; F604-S607 WeakPolarHBondContact O-CB 3.46Å; F604-S607 PolarHBondContact O-N 3.37Å; F604-S607 PolarHBondContact O-OG 3.07Å; S607-F657 WeakPolarHBondContact O-CE2 3.34Å
608G89.5Confident62.4Low2 Ų263.9 Ų63.92%0.02134%0.335CS..  trans-89.2169.3170.500000112.7I610 S611 L612 L808 G810G608-I610 PolarHBondContact O-N 3.34Å; G608-S611 PolarHBondContact O-N 2.94Å; G608-L612 PolarHBondContact O-N 2.89Å; G608-L808 CarbonylContact C-O 3.58Å; G608-L808 WeakPolarHBondContact CA-O 3.46Å; G608-G810 VanDerWaalsContact CA-N 3.34Å
609V91.1Very high63.1Low0 Ų064.6 Ų64.60%034%0.34CS..Hα-helixtrans-52.7-38.1177.7165.60000112.5S611 L612 L613 V654 F657 V774 L790 L807 L808V609-S611 PolarHBondContact O-N 3.17Å; V609-L612 PolarHBondContact O-N 3.45Å; V609-L613 HydrophobicContact CG1-CD1 4.15Å; V609-L613 PolarHBondContact O-N 3.22Å; V609-V654 HydrophobicContact CB-CG1 4.5Å; V609-V654 HydrophobicContact CG1-CB 4.43Å; V609-V654 HydrophobicContact CG1-CG1 3.69Å; V609-V654 HydrophobicContact CG1-CG2 3.84Å; V609-V654 HydrophobicContact CG2-CG1 3.99Å; V609-V654 HydrophobicContact CG2-CG2 4.45Å; V609-F657 HydrophobicContact CG2-CB 4.36Å; V609-V774 HydrophobicContact CG1-CG1 4.3Å; V609-L790 HydrophobicContact CG1-CD1 3.99Å; V609-L790 HydrophobicContact CG1-CD2 4.28Å; V609-L807 HydrophobicContact CG2-CD1 3.77Å; V609-L807 HydrophobicContact CG2-CG 4.01Å; V609-L807 WeakPolarHBondContact CG2-O 3.41Å; V609-L807 PolarHBondContact N-O 3.06Å; V609-L808 HydrophobicContact CB-CD2 4.18Å; V609-L808 HydrophobicContact CG1-CD2 4.33Å; V609-L808 PolarHBondContact N-O 2.92Å
610I89.2Confident63.4Low29 Ų2960.3 Ų60.315%0.14933%0.332CS..Hα-helixtrans-65.5-41.5180-67177.3000111.3G608 L613 C614 L790 C794 L808G608-I610 PolarHBondContact O-N 3.34Å; I610-L613 PolarHBondContact O-N 2.63Å; I610-C614 VanDerWaalsContact O-CB 3.26Å; I610-C614 WeakPolarHBondContact O-CB 3.26Å; I610-C614 PolarHBondContact O-N 3.25Å; I610-C614 PolarHBondContact O-SG 2.94Å; I610-L790 HydrophobicContact CG1-CB 4.33Å; I610-C794 HydrophobicContact CD1-CB 3.49Å; I610-C794 VanDerWaalsContact CD1-CB 3.49Å; I610-L808 HydrophobicContact CD1-CB 4.24Å; I610-L808 HydrophobicContact CG1-CB 4.45Å; I610-L808 PolarHBondContact N-O 2.78Å
611S85Confident63.6Low44 Ų4457.9 Ų57.931%0.30835%0.347SS..Hα-helixtrans-63.3-45177.5-162.90000110.6G608 V609 L613 C614 D615G608-S611 PolarHBondContact O-N 2.94Å; V609-S611 PolarHBondContact O-N 3.17Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 2.77Å; S611-C614 PolarHBondContact O-N 2.73Å; S611-C614 VanDerWaalsContact O-N 3.08Å; S611-D615 WeakPolarHBondContact O-CB 3.21Å; S611-D615 VanDerWaalsContact O-CG 3.24Å; S611-D615 PolarHBondContact O-N 3.4Å; S611-D615 PolarHBondContact OG-OD2 3.33Å
612L82.7Confident63.5Low9 Ų951.8 Ų51.85%0.04733%0.334CS..Hα-helixtrans-58.6-36.1-179.2-69.8179.3000113.5P603 G608 V609 R653 F657P603-L612 HydrophobicContact CB-CD2 3.7Å; P603-L612 HydrophobicContact CG-CD2 3.84Å; G608-L612 PolarHBondContact O-N 2.89Å; V609-L612 PolarHBondContact O-N 3.45Å; L612-R653 HydrophobicContact CD1-CG 4.08Å; L612-F657 HydrophobicContact CD1-CD1 4.26Å; L612-F657 HydrophobicContact CD1-CD2 3.7Å; L612-F657 HydrophobicContact CD1-CE1 4.09Å; L612-F657 HydrophobicContact CD1-CE2 3.5Å; L612-F657 HydrophobicContact CD1-CG 4.1Å; L612-F657 HydrophobicContact CD1-CZ 3.72Å; L612-F657 HydrophobicContact CG-CE2 4.45Å
613L83Confident63.8Low38 Ų3853.8 Ų53.820%0.19934%0.337CS..Hα-helixtrans-85.6-23.1177.9-66.6171.4000113V609 I610 S611 E650 V654 L786 L790V609-L613 HydrophobicContact CG1-CD1 4.15Å; V609-L613 PolarHBondContact O-N 3.22Å; I610-L613 PolarHBondContact O-N 2.63Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 2.77Å; L613-E650 HydrophobicContact CD2-CB 3.94Å; L613-V654 HydrophobicContact CD1-CG2 4.2Å; L613-V654 HydrophobicContact CD2-CG2 4.07Å; L613-V654 HydrophobicContact CG-CG2 3.97Å; L613-L786 HydrophobicContact CD1-CD2 4.16Å; L613-L786 HydrophobicContact CD1-CG 4.45Å; L613-L790 HydrophobicContact CD1-CD1 3.33Å
614C75.6Confident64.1Low48 Ų4856.9 Ų56.932%0.32435%0.352SS..Hα-helixtrans-93.4-19.2-177.7-68.10000114.3I610 S611 N616I610-C614 VanDerWaalsContact O-CB 3.26Å; I610-C614 WeakPolarHBondContact O-CB 3.26Å; I610-C614 PolarHBondContact O-N 3.25Å; I610-C614 PolarHBondContact O-SG 2.94Å; S611-C614 PolarHBondContact O-N 2.73Å; S611-C614 VanDerWaalsContact O-N 3.08Å; C614-N616 PolarHBondContact O-N 3.15Å
615D59.6Low64.7Low99 Ų9959.4 Ų59.453%0.52937%0.372SS..  trans-68.867.7-176.4-80.6-33.7000112.9S611 S617S611-D615 WeakPolarHBondContact O-CB 3.21Å; S611-D615 VanDerWaalsContact O-CG 3.24Å; S611-D615 PolarHBondContact O-N 3.4Å; S611-D615 PolarHBondContact OG-OD2 3.33Å; D615-S617 VanDerWaalsContact C-N 3.26Å; D615-S617 PolarHBondContact O-N 3.07Å
616N46.3Very low65.8Low93 Ų9358.9 Ų58.950%0.49737%0.372SS..  trans-86.144.1176.2-83.9-31.1000112.5C614 S618C614-N616 PolarHBondContact O-N 3.15Å; N616-S618 PolarHBondContact O-N 2.98Å
617S36.9Very low66.7Low117 Ų11764.3 Ų64.382%0.81840%0.397SS*.  trans-78.431.7178.1-60.70000113.7D615D615-S617 VanDerWaalsContact C-N 3.26Å; D615-S617 PolarHBondContact O-N 3.07Å
618S37.5Very low67.2Low47 Ų4767.3 Ų67.333%0.32942%0.415SS..  trans-84118165.3-59.60000107.3N616 S620 G621N616-S618 PolarHBondContact O-N 2.98Å; S618-S620 PolarHBondContact O-N 3.11Å; S618-G621 PolarHBondContact O-N 3.11Å
619S44.5Very low67.2Low121 Ų12169.8 Ų69.885%0.84643%0.427SS*.THydrogen-bonded Turntrans-56.2-3.2179.9460000115.3
620S42.3Very low66.9Low87 Ų8776.1 Ų76.161%0.60846%0.459SS*.THydrogen-bonded Turntrans-91.1-4.2178.9-167.50000115.2S618 T622S618-S620 PolarHBondContact O-N 3.11Å; S620-T622 PolarHBondContact O-N 3.47Å
621G43.5Very low66.6Low75 Ų7580 Ų8077%0.77348%0.479SS*.  trans621.7171.600000116.9S618 K623S618-G621 PolarHBondContact O-N 3.11Å; G621-K623 PolarHBondContact O-N 2.86Å
622T44.2Very low66.6Low96 Ų9679.5 Ų79.559%0.58948%0.475SS*.  trans-81.5109.3174.445.80000109S620 L624S620-T622 PolarHBondContact O-N 3.47Å; T622-L624 PolarHBondContact O-N 3.37Å; T622-L624 VanDerWaalsContact O-N 3.08Å
623K55.3Low66.7Low111 Ų11185 Ų8548%0.48350%0.5SS..  trans-52.8112.5168.5-169.2179.1-179.9-172.90107.2G621 T625 D784G621-K623 PolarHBondContact O-N 2.86Å; K623-T625 PolarHBondContact O-N 3.31Å; K623-D784 IonicContact NZ-OD1 3.65Å; K623-D784 PolarHBondContact NZ-OD1 2.95Å
624L56.5Low66.7Low89 Ų8984.2 Ų84.247%0.46650%0.495SS..  trans-66.5102.9172.6-79157.2000106.5T622T622-L624 PolarHBondContact O-N 3.37Å; T622-L624 VanDerWaalsContact O-N 3.08Å
625T77.4Confident67.1Low108 Ų10886 Ų8666%0.66350%0.498SS*.PPolyproline II helixtrans-78.8137.9178.551.30000109.4K623 D783K623-T625 PolarHBondContact O-N 3.31Å; T625-D783 WeakPolarHBondContact CA-OD2 3.39Å
626S89.1Confident68.2Low11 Ų1183.5 Ų83.58%0.07750%0.496CS..PPolyproline II helixtrans-61.2144.4175.6-600000111.6R647 R651 D783S626-R647 CarbonylContact C-O 3.58Å; S626-R651 PolarHBondContact OG-NE 2.9Å; S626-D783 VanDerWaalsContact CB-OD1 3.28Å; S626-D783 WeakPolarHBondContact CB-OD1 3.33Å; S626-D783 PolarHBondContact N-OD2 3.41Å; S626-D783 PolarHBondContact OG-OD1 3.27Å
627E90.6Very high69.9Low115 Ų11580.9 Ų80.954%0.53748%0.482SS..EExtended strand (participates in β ladder)trans-63.5134.2168.9-176.4-177.4-170.400109.4L629 Y646 R647E627-L629 HydrophobicContact CG-CD2 4.11Å; E627-Y646 CarbonylContact O-C 3.56Å; E627-Y646 VanDerWaalsContact O-CA 3.3Å; E627-Y646 WeakPolarHBondContact O-CA 3.4Å; E627-R647 PolarHBondContact N-O 2.89Å; E627-R647 PolarHBondContact O-N 2.85Å
628V92.2Very high72Confident74 Ų7482.9 Ų82.945%0.44848%0.483SS..EExtended strand (participates in β ladder)trans-102.5112178.5-172.20000109.2M630 Y646V628-M630 HydrophobicContact CG1-CG 4.13Å; V628-Y646 HydrophobicContact CB-CE1 4.45Å; V628-Y646 HydrophobicContact CG1-CD1 4.5Å; V628-Y646 HydrophobicContact CG1-CE1 4.09Å; V628-Y646 HydrophobicContact CG2-CD1 3.95Å; V628-Y646 HydrophobicContact CG2-CE1 3.77Å
629L89.4Confident74.1Confident54 Ų5481.5 Ų81.528%0.28347%0.473SS..EExtended strand (participates in β ladder)trans-94.5105.8176.7-57.2175.2000109E627 V632 S644 R645 R647E627-L629 HydrophobicContact CG-CD2 4.11Å; L629-V632 HydrophobicContact CB-CG2 3.75Å; L629-S644 WeakPolarHBondContact O-CA 3.36Å; L629-R645 WeakPolarHBondContact CA-O 3.36Å; L629-R645 HydrophobicContact CB-CB 4.33Å; L629-R645 WeakPolarHBondContact CB-O 3.49Å; L629-R645 PolarHBondContact N-O 2.77Å; L629-R645 PolarHBondContact O-N 2.91Å; L629-R647 HydrophobicContact CD1-CB 4.38Å
630M85.2Confident75.9Confident133 Ų13381.1 Ų81.166%0.65546%0.456SS*.  trans-94.9150.3175.3-54.3-169.289.700110.4V628 V632V628-M630 HydrophobicContact CG1-CG 4.13Å; M630-V632 VanDerWaalsContact C-N 3.32Å; M630-V632 PolarHBondContact O-N 3.46Å
631N81.4Confident77.9Confident110 Ų11077 Ų7759%0.58843%0.427SS*.SBendtrans57.538.4174.1-56.2-37.4000114.4E633 K640N631-E633 PolarHBondContact O-N 2.75Å; N631-K640 HydrophobicContact CB-CD 4.25Å
632V85.1Confident79.8Confident35 Ų3575.7 Ų75.721%0.21241%0.405CS..PPolyproline II helixtrans-62.8132.3177.9-172.30000109.8L629 M630 L641 R645 L693L629-V632 HydrophobicContact CB-CG2 3.75Å; M630-V632 VanDerWaalsContact C-N 3.32Å; M630-V632 PolarHBondContact O-N 3.46Å; V632-L641 HydrophobicContact CB-CB 4.46Å; V632-L641 WeakPolarHBondContact O-CB 3.32Å; V632-L641 PolarHBondContact O-N 3.05Å; V632-R645 HydrophobicContact CG2-CB 4.15Å; V632-L693 HydrophobicContact CB-CD1 4.05Å; V632-L693 HydrophobicContact CG1-CD1 3.47Å; V632-L693 VanDerWaalsContact CG1-CD1 3.47Å
633E84.2Confident81.9Confident125 Ų12571.8 Ų71.858%0.58438%0.38SS*.BIsolated β-bridgetrans-82.1146.8179.8-69.8176.117900111.1N631 K640N631-E633 PolarHBondContact O-N 2.75Å; E633-K640 HydrophobicContact CG-CG 4.19Å; E633-K640 WeakPolarHBondContact OE1-CE 3.4Å; E633-K640 IonicContact OE1-NZ 3.84Å; E633-K640 PolarHBondContact OE1-NZ 3.04Å
634W84.6Confident83.6Confident20 Ų2067.7 Ų67.78%0.07637%0.365CS..PPolyproline II helixtrans-82.7143.1176-73.378.5000111V639 L641 L690 L693 F695 F751 L752W634-V639 VanDerWaalsContact CD1-O 3.25Å; W634-V639 PolarHBondContact N-O 2.77Å; W634-L641 HydrophobicContact CZ2-CD1 3.63Å; W634-L690 HydrophobicContact CH2-CD1 4.26Å; W634-L690 HydrophobicContact CH2-CG 4.36Å; W634-L690 HydrophobicContact CZ3-CD1 3.84Å; W634-L690 HydrophobicContact CZ3-CG 4.23Å; W634-L690 WeakPolarHBondContact CZ3-O 3.44Å; W634-L693 HydrophobicContact CD2-CB 4.3Å; W634-L693 HydrophobicContact CD2-CD2 3.97Å; W634-L693 HydrophobicContact CE3-CB 4.01Å; W634-L693 HydrophobicContact CE3-CD2 3.99Å; W634-L693 HydrophobicContact CH2-CD2 3.8Å; W634-L693 HydrophobicContact CZ2-CD2 3.72Å; W634-L693 HydrophobicContact CZ3-CB 4.44Å; W634-L693 HydrophobicContact CZ3-CD2 3.9Å; W634-F695 HydrophobicContact CE3-CD2 4.11Å; W634-F695 HydrophobicContact CZ3-CD2 4.14Å; W634-F751 HydrophobicContact CH2-CD1 4.09Å; W634-F751 AromaticContact CH2-CE1 3.6Å; W634-F751 HydrophobicContact CH2-CE1 3.6Å; W634-F751 HydrophobicContact CZ2-CE1 4Å; W634-L752 HydrophobicContact CH2-CD2 3.56Å; W634-L752 HydrophobicContact CZ2-CD2 3.88Å; W634-L752 HydrophobicContact CZ3-CD2 4.38Å
635Q84.2Confident85.2Confident86 Ų8664.9 Ų64.940%0.40235%0.348SS..BIsolated β-bridgetrans-84.6117.6169-173.7178.912.500109.2L693 F695Q635-L693 PolarHBondContact N-O 3.3Å; Q635-F695 WeakPolarHBondContact O-CB 3.23Å; Q635-F695 PolarHBondContact O-N 2.64Å
636G81.7Confident86Confident47 Ų4761.7 Ų61.749%0.48532%0.324SS..SBendtrans104.1-1317800000115D696G636-D696 WeakPolarHBondContact CA-OD1 3.43Å; G636-D696 VanDerWaalsContact CA-OD2 3.26Å; G636-D696 WeakPolarHBondContact CA-OD2 3.27Å
637I82.9Confident86.1Confident37 Ų3766.8 Ų66.819%0.1934%0.342CS..SBendtrans-139.5138.3177.5-61.6-173000110V639 F695 Y721I637-V639 HydrophobicContact CG2-CB 4Å; I637-V639 HydrophobicContact CG2-CG2 3.56Å; I637-V639 PolarHBondContact O-N 3.43Å; I637-F695 HydrophobicContact CD1-CB 4.37Å; I637-F695 HydrophobicContact CD1-CD1 3.37Å; I637-F695 HydrophobicContact CD1-CD2 3.6Å; I637-F695 HydrophobicContact CD1-CE1 3.37Å; I637-F695 HydrophobicContact CD1-CE2 3.59Å; I637-F695 HydrophobicContact CD1-CG 3.48Å; I637-F695 VanDerWaalsContact CD1-CG 3.48Å; I637-F695 HydrophobicContact CD1-CZ 3.47Å; I637-F695 VanDerWaalsContact CD1-CZ 3.47Å; I637-F695 HydrophobicContact CG1-CB 4.22Å; I637-F695 HydrophobicContact CG1-CD1 3.82Å; I637-F695 HydrophobicContact CG1-CD2 4.31Å; I637-F695 HydrophobicContact CG1-CE1 4.28Å; I637-F695 HydrophobicContact CG1-CG 3.84Å; I637-Y721 HydrophobicContact CD1-CD1 4.45Å
638D80.4Confident86Confident160 Ų16062 Ų6286%0.85632%0.321SS*.SBendtrans-80.164.5175.3-169.217.1000112.1
639V81Confident85.7Confident17 Ų1762.5 Ų62.510%0.10333%0.326CS..  trans-134151.4176.7174.60000108.6W634 I637 T722W634-V639 VanDerWaalsContact CD1-O 3.25Å; W634-V639 PolarHBondContact N-O 2.77Å; I637-V639 HydrophobicContact CG2-CB 4Å; I637-V639 HydrophobicContact CG2-CG2 3.56Å; I637-V639 PolarHBondContact O-N 3.43Å; V639-T722 WeakPolarHBondContact CG2-O 3.36Å
640K82Confident85.5Confident113 Ų11362.2 Ų62.249%0.49132%0.323SS..BIsolated β-bridgetrans-103.9142.4174-61.4-169.5177.4-163.90110.7N631 E633N631-K640 HydrophobicContact CB-CD 4.25Å; E633-K640 HydrophobicContact CG-CG 4.19Å; E633-K640 WeakPolarHBondContact OE1-CE 3.4Å; E633-K640 IonicContact OE1-NZ 3.84Å; E633-K640 PolarHBondContact OE1-NZ 3.04Å
641L86Confident85.8Confident2 Ų256 Ų561%0.0129%0.292CS..  trans-63.3128177-16570.3000110.2V632 W634 F643 L693 F751 Y780V632-L641 HydrophobicContact CB-CB 4.46Å; V632-L641 WeakPolarHBondContact O-CB 3.32Å; V632-L641 PolarHBondContact O-N 3.05Å; W634-L641 HydrophobicContact CZ2-CD1 3.63Å; L641-F643 HydrophobicContact CD1-CD2 4.27Å; L641-F643 HydrophobicContact CD1-CE1 4.2Å; L641-F643 HydrophobicContact CD1-CE2 3.63Å; L641-F643 HydrophobicContact CD1-CZ 3.57Å; L641-F643 HydrophobicContact CD2-CD2 3.74Å; L641-F643 HydrophobicContact CD2-CE2 3.65Å; L641-F643 HydrophobicContact CD2-CZ 4.45Å; L641-F643 VanDerWaalsContact CD2-O 3.3Å; L641-F643 WeakPolarHBondContact CD2-O 3.44Å; L641-F643 HydrophobicContact CG-CD2 3.84Å; L641-F643 HydrophobicContact CG-CE2 3.7Å; L641-F643 HydrophobicContact CG-CG 4.35Å; L641-F643 HydrophobicContact CG-CZ 4.06Å; L641-F643 WeakPolarHBondContact CG-O 3.47Å; L641-F643 PolarHBondContact O-N 2.98Å; L641-L693 HydrophobicContact CD1-CD2 3.72Å; L641-L693 HydrophobicContact CD2-CD1 4.33Å; L641-L693 HydrophobicContact CD2-CD2 4.28Å; L641-F751 HydrophobicContact CD1-CZ 4.46Å; L641-Y780 HydrophobicContact CD2-CE1 3.84Å
642P82.8Confident86.1Confident46 Ų4651.3 Ų51.330%0.29927%0.268SS..SBendtrans-78.4-2.6-175.332.7-36.2000113.5T724P642-T724 HydrophobicContact CB-CG2 4.1Å; P642-T724 HydrophobicContact CG-CG2 3.56Å
643F87.4Confident86.1Confident15 Ų1552.3 Ų52.37%0.06627%0.268CS..SBendtrans-135.2161.5179.745.3-99.5000110.8L641 F751 R754 F759 Y780L641-F643 HydrophobicContact CD1-CD2 4.27Å; L641-F643 HydrophobicContact CD1-CE1 4.2Å; L641-F643 HydrophobicContact CD1-CE2 3.63Å; L641-F643 HydrophobicContact CD1-CZ 3.57Å; L641-F643 HydrophobicContact CD2-CD2 3.74Å; L641-F643 HydrophobicContact CD2-CE2 3.65Å; L641-F643 HydrophobicContact CD2-CZ 4.45Å; L641-F643 VanDerWaalsContact CD2-O 3.3Å; L641-F643 WeakPolarHBondContact CD2-O 3.44Å; L641-F643 HydrophobicContact CG-CD2 3.84Å; L641-F643 HydrophobicContact CG-CE2 3.7Å; L641-F643 HydrophobicContact CG-CG 4.35Å; L641-F643 HydrophobicContact CG-CZ 4.06Å; L641-F643 WeakPolarHBondContact CG-O 3.47Å; L641-F643 PolarHBondContact O-N 2.98Å; F643-F751 AromaticContact CE2-CE2 3.88Å; F643-F751 HydrophobicContact CE2-CE2 3.88Å; F643-F751 AromaticContact CE2-CZ 3.87Å; F643-F751 HydrophobicContact CE2-CZ 3.87Å; F643-F751 HydrophobicContact CZ-CD2 4.28Å; F643-F751 HydrophobicContact CZ-CE1 4.27Å; F643-F751 AromaticContact CZ-CE2 3.68Å; F643-F751 HydrophobicContact CZ-CE2 3.68Å; F643-F751 AromaticContact CZ-CZ 3.67Å; F643-F751 HydrophobicContact CZ-CZ 3.67Å; F643-R754 HydrophobicContact CD1-CB 4.36Å; F643-R754 HydrophobicContact CE1-CB 3.9Å; F643-F759 AromaticContact CD2-CZ 3.74Å; F643-F759 HydrophobicContact CD2-CZ 3.74Å; F643-F759 HydrophobicContact CE2-CE1 4.14Å; F643-F759 AromaticContact CE2-CZ 3.76Å; F643-F759 HydrophobicContact CE2-CZ 3.76Å; F643-F759 HydrophobicContact CG-CZ 4.18Å; F643-F759 HydrophobicContact CZ-CE1 4.33Å; F643-F759 HydrophobicContact CZ-CZ 4.27Å; F643-Y780 AromaticContact CD2-CD1 3.91Å; F643-Y780 HydrophobicContact CD2-CD1 3.91Å; F643-Y780 HydrophobicContact CD2-CE1 4.22Å; F643-Y780 AromaticContact CE2-CD1 3.73Å; F643-Y780 HydrophobicContact CE2-CD1 3.73Å; F643-Y780 AromaticContact CE2-CE1 3.74Å; F643-Y780 HydrophobicContact CE2-CE1 3.74Å; F643-Y780 HydrophobicContact CE2-CG 4.44Å
644S90.7Very high86.4Confident24 Ų2446.4 Ų46.417%0.16824%0.24CC..  trans-76.2148.8-176.6-52.50000112.5L629L629-S644 WeakPolarHBondContact O-CA 3.36Å
645R91.8Very high86.8Confident30 Ų3045.6 Ų45.611%0.11324%0.237CC..EExtended strand (participates in β ladder)trans-110.4151.9167.6-172.6174.3177.71632.8108.6L629 V632 N692 L779 Y780L629-R645 WeakPolarHBondContact CA-O 3.36Å; L629-R645 HydrophobicContact CB-CB 4.33Å; L629-R645 WeakPolarHBondContact CB-O 3.49Å; L629-R645 PolarHBondContact N-O 2.77Å; L629-R645 PolarHBondContact O-N 2.91Å; V632-R645 HydrophobicContact CG2-CB 4.15Å; R645-N692 PolarHBondContact NH1-OD1 3.36Å; R645-N692 PolarHBondContact NH2-OD1 3.16Å; R645-L779 CarbonylContact C-O 3.17Å; R645-L779 WeakPolarHBondContact CA-O 3.25Å; R645-L779 WeakPolarHBondContact CG-O 3.15Å; R645-Y780 HydrophobicContact CB-CD1 4.49Å; R645-Y780 HydrophobicContact CB-CE1 4.21Å; R645-Y780 HydrophobicContact CG-CE1 4.15Å
646Y92.9Very high87Confident42 Ų4243.6 Ų43.617%0.16523%0.226CC..EExtended strand (participates in β ladder)trans-124147.4-175.5-61.5-93.6000111E627 V628 R651 L779 Y780 L781 N782E627-Y646 CarbonylContact O-C 3.56Å; E627-Y646 VanDerWaalsContact O-CA 3.3Å; E627-Y646 WeakPolarHBondContact O-CA 3.4Å; V628-Y646 HydrophobicContact CB-CE1 4.45Å; V628-Y646 HydrophobicContact CG1-CD1 4.5Å; V628-Y646 HydrophobicContact CG1-CE1 4.09Å; V628-Y646 HydrophobicContact CG2-CD1 3.95Å; V628-Y646 HydrophobicContact CG2-CE1 3.77Å; Y646-R651 VanDerWaalsContact CB-CZ 3.41Å; Y646-L779 PolarHBondContact N-O 2.82Å; Y646-Y780 VanDerWaalsContact CE2-O 3.29Å; Y646-Y780 WeakPolarHBondContact CE2-O 3.45Å; Y646-L781 VanDerWaalsContact CD2-O 3.28Å; Y646-L781 WeakPolarHBondContact CD2-O 3.14Å; Y646-N782 HydrophobicContact CE1-CB 3.85Å; Y646-N782 HydrophobicContact CE2-CB 4.49Å
647R91.3Very high87.3Confident118 Ų11841.7 Ų41.745%0.44520%0.204SC..EExtended strand (participates in β ladder)trans-142.8140.1179.8-167.2-179.1-172.4-172.45.8111.8S626 E627 L629S626-R647 CarbonylContact C-O 3.58Å; E627-R647 PolarHBondContact N-O 2.89Å; E627-R647 PolarHBondContact O-N 2.85Å; L629-R647 HydrophobicContact CD1-CB 4.38Å
648S89.4Confident87.7Confident14 Ų1439.9 Ų39.910%0.09820%0.195CC..  trans-156.8160.4166.787.80000109.3E650 R651 S652S648-E650 VanDerWaalsContact CB-OE2 3.25Å; S648-E650 WeakPolarHBondContact CB-OE2 3.4Å; S648-E650 PolarHBondContact O-N 3.48Å; S648-E650 PolarHBondContact OG-N 2.75Å; S648-E650 PolarHBondContact OG-OE2 3.42Å; S648-R651 PolarHBondContact O-N 2.9Å; S648-R651 VanDerWaalsContact O-N 3.13Å; S648-R651 PolarHBondContact OG-N 2.77Å; S648-S652 WeakPolarHBondContact O-CB 3.17Å; S648-S652 PolarHBondContact O-N 2.95Å; S648-S652 PolarHBondContact O-OG 3.47Å
649P84.6Confident88Confident85 Ų8534.2 Ų34.255%0.55216%0.164SC*.Hα-helixtrans-55.5-35.2173.4-25.335.3000113.1S652 R653P649-S652 WeakPolarHBondContact O-CB 3.4Å; P649-R653 PolarHBondContact O-N 3.38Å
650E85.8Confident88.1Confident48 Ų4833.6 Ų33.622%0.22416%0.16CC..Hα-helixtrans-68-45.3176.4-55.872.2-15700110.9L613 S648 R653 V654L613-E650 HydrophobicContact CD2-CB 3.94Å; S648-E650 VanDerWaalsContact CB-OE2 3.25Å; S648-E650 WeakPolarHBondContact CB-OE2 3.4Å; S648-E650 PolarHBondContact O-N 3.48Å; S648-E650 PolarHBondContact OG-N 2.75Å; S648-E650 PolarHBondContact OG-OE2 3.42Å; E650-R653 WeakPolarHBondContact O-CB 3.44Å; E650-R653 PolarHBondContact O-N 2.99Å; E650-R653 VanDerWaalsContact O-N 3.1Å; E650-V654 WeakPolarHBondContact O-CG2 3.46Å; E650-V654 PolarHBondContact O-N 3.24Å
651R91Very high88.1Confident3 Ų328.7 Ų28.71%0.01114%0.14CC..Hα-helixtrans-61.5-44.1174.7-73.1-177.9-178-125.66.9112.1S626 Y646 S648 R653 V654 L655 C778 L781 D783S626-R651 PolarHBondContact OG-NE 2.9Å; Y646-R651 VanDerWaalsContact CB-CZ 3.41Å; S648-R651 PolarHBondContact O-N 2.9Å; S648-R651 VanDerWaalsContact O-N 3.13Å; S648-R651 PolarHBondContact OG-N 2.77Å; R651-R653 PolarHBondContact O-N 3.13Å; R651-V654 WeakPolarHBondContact O-CB 3.46Å; R651-V654 PolarHBondContact O-N 3.02Å; R651-V654 VanDerWaalsContact O-N 3.13Å; R651-L655 WeakPolarHBondContact O-CB 3.49Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 2.87Å; R651-C778 WeakPolarHBondContact CA-SG 3.38Å; R651-C778 WeakPolarHBondContact CB-SG 3.31Å; R651-C778 WeakPolarHBondContact CD-O 3.24Å; R651-C778 PolarHBondContact NH1-O 2.87Å; R651-C778 PolarHBondContact O-SG 3.18Å; R651-C778 VanDerWaalsContact O-SG 3.36Å; R651-L781 VanDerWaalsContact CZ-O 3.29Å; R651-L781 PolarHBondContact NH1-O 3.24Å; R651-L781 PolarHBondContact NH2-O 3.16Å; R651-D783 IonicContact CZ-OD1 3.38Å; R651-D783 IonicContact NE-OD1 3.56Å; R651-D783 IonicContact NH2-OD1 3.97Å; R651-D783 PolarHBondContact NH2-OD1 2.9Å
652S88.6Confident87.7Confident10 Ų1029 Ų297%0.0714%0.141CC..Hα-helixtrans-56.3-35.7172.4-70.10000112.4S648 P649 R656 D663S648-S652 WeakPolarHBondContact O-CB 3.17Å; S648-S652 PolarHBondContact O-N 2.95Å; S648-S652 PolarHBondContact O-OG 3.47Å; P649-S652 WeakPolarHBondContact O-CB 3.4Å; S652-R656 WeakPolarHBondContact O-CG 3.28Å; S652-R656 PolarHBondContact O-N 3.4Å; S652-R656 PolarHBondContact O-NH1 2.77Å; S652-D663 WeakPolarHBondContact CB-OD2 3.46Å; S652-D663 PolarHBondContact OG-OD2 3.33Å
653R84.7Confident87.3Confident56 Ų5628.5 Ų28.521%0.21114%0.136CC..Hα-helixtrans-72.8-42.5175-166.8-179.5-67.31550.8112L612 P649 E650 R651 L655 R656 F657L612-R653 HydrophobicContact CD1-CG 4.08Å; P649-R653 PolarHBondContact O-N 3.38Å; E650-R653 WeakPolarHBondContact O-CB 3.44Å; E650-R653 PolarHBondContact O-N 2.99Å; E650-R653 VanDerWaalsContact O-N 3.1Å; R651-R653 PolarHBondContact O-N 3.13Å; R653-L655 VanDerWaalsContact C-N 3.29Å; R653-L655 PolarHBondContact O-N 3.45Å; R653-R656 PolarHBondContact O-N 3.27Å; R653-F657 HydrophobicContact CG-CD1 4.3Å; R653-F657 HydrophobicContact CG-CE1 4.08Å; R653-F657 VanDerWaalsContact O-CD1 3.3Å; R653-F657 WeakPolarHBondContact O-CD1 3.35Å; R653-F657 PolarHBondContact O-N 2.83Å
654V90.8Very high86.9Confident1 Ų130.2 Ų30.21%0.00615%0.146CC..Hα-helixtrans-59.3-42.7174.6171.70000111V609 L613 E650 R651 R656 F657 C658 V774 C778V609-V654 HydrophobicContact CB-CG1 4.5Å; V609-V654 HydrophobicContact CG1-CB 4.43Å; V609-V654 HydrophobicContact CG1-CG1 3.69Å; V609-V654 HydrophobicContact CG1-CG2 3.84Å; V609-V654 HydrophobicContact CG2-CG1 3.99Å; V609-V654 HydrophobicContact CG2-CG2 4.45Å; L613-V654 HydrophobicContact CD1-CG2 4.2Å; L613-V654 HydrophobicContact CD2-CG2 4.07Å; L613-V654 HydrophobicContact CG-CG2 3.97Å; E650-V654 WeakPolarHBondContact O-CG2 3.46Å; E650-V654 PolarHBondContact O-N 3.24Å; R651-V654 WeakPolarHBondContact O-CB 3.46Å; R651-V654 PolarHBondContact O-N 3.02Å; R651-V654 VanDerWaalsContact O-N 3.13Å; V654-R656 VanDerWaalsContact C-N 3.32Å; V654-R656 PolarHBondContact O-N 2.83Å; V654-F657 CarbonylContact O-C 3.56Å; V654-F657 WeakPolarHBondContact O-CA 3.31Å; V654-F657 WeakPolarHBondContact O-CB 3.48Å; V654-F657 PolarHBondContact O-N 3.24Å; V654-C658 PolarHBondContact O-N 2.79Å; V654-V774 HydrophobicContact CG1-CG1 3.9Å; V654-C778 HydrophobicContact CG1-CB 4.38Å
655L91.8Very high86.6Confident4 Ų433 Ų332%0.02116%0.162CC..Hα-helixtrans-56.6-44.1174.9-80.2177.9000111.9R651 R653 F657 C658 M659 W660 D663 A775 C778 L779R651-L655 WeakPolarHBondContact O-CB 3.49Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 2.87Å; R653-L655 VanDerWaalsContact C-N 3.29Å; R653-L655 PolarHBondContact O-N 3.45Å; L655-F657 PolarHBondContact O-N 2.96Å; L655-C658 CarbonylContact O-C 3.58Å; L655-C658 WeakPolarHBondContact O-CB 3.46Å; L655-C658 PolarHBondContact O-N 2.92Å; L655-M659 PolarHBondContact O-N 3.1Å; L655-W660 CarbonylContact C-O 3.59Å; L655-W660 VanDerWaalsContact C-O 3.24Å; L655-W660 VanDerWaalsContact CB-O 3.25Å; L655-W660 WeakPolarHBondContact CB-O 3.04Å; L655-W660 CarbonylContact O-C 3.53Å; L655-W660 WeakPolarHBondContact O-CA 3.11Å; L655-W660 WeakPolarHBondContact O-CB 3.45Å; L655-W660 PolarHBondContact O-N 3.12Å; L655-D663 HydrophobicContact CD1-CB 4.21Å; L655-A775 HydrophobicContact CD2-CB 3.99Å; L655-C778 HydrophobicContact CD2-CB 4.28Å; L655-L779 HydrophobicContact CD1-CD2 3.83Å; L655-L779 HydrophobicContact CD2-CD2 4.24Å; L655-L779 HydrophobicContact CD2-CG 4.29Å
656R88.6Confident86.3Confident43 Ų4334.3 Ų34.316%0.16217%0.171CC..Hα-helixtrans-64.6-38.9172.7-65.5-179.6-172.8101.7-6.2112.6Y562 Y566 S652 R653 V654 C658 M659 P661 D664Y562-R656 VanDerWaalsContact CE1-O 3.25Å; Y562-R656 WeakPolarHBondContact CE1-O 3.45Å; Y562-R656 PolarHBondContact OH-O 2.75Å; Y566-R656 HydrophobicContact CE2-CB 4.17Å; Y566-R656 WeakPolarHBondContact OH-CD 3.44Å; S652-R656 WeakPolarHBondContact O-CG 3.28Å; S652-R656 PolarHBondContact O-N 3.4Å; S652-R656 PolarHBondContact O-NH1 2.77Å; R653-R656 PolarHBondContact O-N 3.27Å; V654-R656 VanDerWaalsContact C-N 3.32Å; V654-R656 PolarHBondContact O-N 2.83Å; R656-C658 PolarHBondContact O-N 3.16Å; R656-M659 WeakPolarHBondContact O-CA 3.44Å; R656-M659 PolarHBondContact O-N 3.39Å; R656-P661 HydrophobicContact CG-CB 4.19Å; R656-D664 IonicContact NE-OD2 2.79Å; R656-D664 IonicContact NH2-OD2 3.27Å; R656-D664 PolarHBondContact NH2-OD2 2.9Å
657F89.1Confident85.8Confident7 Ų737.7 Ų37.73%0.03120%0.196CC..Hα-helixtrans-65.1-28.5175.6-84.140.8000112.7W559 I563 Y566 S607 V609 L612 R653 V654 L655 M659 L807W559-F657 HydrophobicContact CZ2-CD2 4.43Å; W559-F657 PolarHBondContact NE1-O 3.37Å; I563-F657 HydrophobicContact CD1-CD2 3.81Å; I563-F657 HydrophobicContact CD1-CE2 3.84Å; I563-F657 HydrophobicContact CD1-CG 4.3Å; I563-F657 HydrophobicContact CD1-CZ 4.37Å; Y566-F657 HydrophobicContact CE1-CE1 4.35Å; S607-F657 WeakPolarHBondContact O-CE2 3.34Å; V609-F657 HydrophobicContact CG2-CB 4.36Å; L612-F657 HydrophobicContact CD1-CD1 4.26Å; L612-F657 HydrophobicContact CD1-CD2 3.7Å; L612-F657 HydrophobicContact CD1-CE1 4.09Å; L612-F657 HydrophobicContact CD1-CE2 3.5Å; L612-F657 HydrophobicContact CD1-CG 4.1Å; L612-F657 HydrophobicContact CD1-CZ 3.72Å; L612-F657 HydrophobicContact CG-CE2 4.45Å; R653-F657 HydrophobicContact CG-CD1 4.3Å; R653-F657 HydrophobicContact CG-CE1 4.08Å; R653-F657 VanDerWaalsContact O-CD1 3.3Å; R653-F657 WeakPolarHBondContact O-CD1 3.35Å; R653-F657 PolarHBondContact O-N 2.83Å; V654-F657 CarbonylContact O-C 3.56Å; V654-F657 WeakPolarHBondContact O-CA 3.31Å; V654-F657 WeakPolarHBondContact O-CB 3.48Å; V654-F657 PolarHBondContact O-N 3.24Å; L655-F657 PolarHBondContact O-N 2.96Å; F657-M659 PolarHBondContact O-N 2.73Å; F657-L807 HydrophobicContact CB-CD1 4.25Å
658C90.7Very high85.3Confident0 Ų035 Ų350%019%0.193CC..THydrogen-bonded Turntrans-78.59.5169.4-72.60000113.1V654 L655 R656 W660 I771 V774 A775V654-C658 PolarHBondContact O-N 2.79Å; L655-C658 CarbonylContact O-C 3.58Å; L655-C658 WeakPolarHBondContact O-CB 3.46Å; L655-C658 PolarHBondContact O-N 2.92Å; R656-C658 PolarHBondContact O-N 3.16Å; C658-W660 HydrophobicContact CB-CB 4.13Å; C658-W660 PolarHBondContact O-N 2.76Å; C658-I771 HydrophobicContact CB-CG2 3.93Å; C658-I771 WeakPolarHBondContact O-CG2 3.49Å; C658-I771 PolarHBondContact SG-O 3.04Å; C658-V774 VanDerWaalsContact SG-CG1 3.53Å; C658-A775 HydrophobicContact CB-CB 3.98Å
659M87.7Confident85.2Confident41 Ų4134.6 Ų34.620%0.20219%0.189CC..THydrogen-bonded Turntrans55.625-174.5-51.3169.9-178.800112.5T558 W559 Y562 L655 R656 F657 P661 V672 I771T558-M659 HydrophobicContact CG2-CE 4.09Å; W559-M659 HydrophobicContact CB-CE 4.34Å; Y562-M659 VanDerWaalsContact CB-CE 3.43Å; Y562-M659 HydrophobicContact CD1-CE 3.89Å; Y562-M659 HydrophobicContact CD1-CG 3.75Å; Y562-M659 HydrophobicContact CD2-CE 4.29Å; Y562-M659 HydrophobicContact CD2-CG 4Å; Y562-M659 HydrophobicContact CE1-CG 3.75Å; Y562-M659 HydrophobicContact CE2-CB 4.47Å; Y562-M659 HydrophobicContact CE2-CG 3.99Å; Y562-M659 HydrophobicContact CG-CE 3.6Å; Y562-M659 HydrophobicContact CG-CG 3.88Å; Y562-M659 HydrophobicContact CG-SD 4.34Å; L655-M659 PolarHBondContact O-N 3.1Å; R656-M659 WeakPolarHBondContact O-CA 3.44Å; R656-M659 PolarHBondContact O-N 3.39Å; F657-M659 PolarHBondContact O-N 2.73Å; M659-P661 VanDerWaalsContact C-CD 3.49Å; M659-P661 WeakPolarHBondContact O-CD 3.27Å; M659-V672 WeakPolarHBondContact O-CG1 3.38Å; M659-I771 HydrophobicContact SD-CD1 4.41Å
660W83Confident85.3Confident4 Ų437.1 Ų37.12%0.01519%0.188CC..  trans-124.670-174.3-90.945.1000108.8L655 C658 L662 M688 I691 D772 A775L655-W660 CarbonylContact C-O 3.59Å; L655-W660 VanDerWaalsContact C-O 3.24Å; L655-W660 VanDerWaalsContact CB-O 3.25Å; L655-W660 WeakPolarHBondContact CB-O 3.04Å; L655-W660 CarbonylContact O-C 3.53Å; L655-W660 WeakPolarHBondContact O-CA 3.11Å; L655-W660 WeakPolarHBondContact O-CB 3.45Å; L655-W660 PolarHBondContact O-N 3.12Å; C658-W660 HydrophobicContact CB-CB 4.13Å; C658-W660 PolarHBondContact O-N 2.76Å; W660-L662 HydrophobicContact CB-CG 4.07Å; W660-L662 HydrophobicContact CD2-CD1 4.01Å; W660-L662 HydrophobicContact CD2-CG 4.27Å; W660-L662 HydrophobicContact CE3-CD1 3.12Å; W660-L662 HydrophobicContact CE3-CG 3.81Å; W660-L662 HydrophobicContact CG-CG 4.41Å; W660-L662 HydrophobicContact CZ3-CD1 3.58Å; W660-L662 PolarHBondContact O-N 3.47Å; W660-M688 HydrophobicContact CD2-CE 4.11Å; W660-M688 VanDerWaalsContact CE2-CE 3.48Å; W660-M688 HydrophobicContact CG-CE 4.25Å; W660-M688 HydrophobicContact CH2-CB 4.39Å; W660-M688 HydrophobicContact CH2-CG 3.83Å; W660-M688 HydrophobicContact CZ2-CB 4.2Å; W660-M688 HydrophobicContact CZ2-CE 3.99Å; W660-M688 HydrophobicContact CZ2-CG 3.27Å; W660-M688 HydrophobicContact CZ2-SD 3.76Å; W660-I691 HydrophobicContact CH2-CG2 4.4Å; W660-I691 HydrophobicContact CZ3-CG2 4.09Å; W660-D772 HydrophobicContact CH2-CB 4.18Å; W660-D772 HydrophobicContact CZ2-CB 3.58Å; W660-D772 VanDerWaalsContact CZ2-OD1 3.25Å; W660-D772 WeakPolarHBondContact CZ2-OD1 3.34Å; W660-D772 PolarHBondContact NE1-OD1 3.34Å; W660-A775 HydrophobicContact CB-CB 4.15Å; W660-A775 HydrophobicContact CD2-CB 3.48Å; W660-A775 VanDerWaalsContact CD2-CB 3.48Å; W660-A775 HydrophobicContact CE3-CB 3.11Å; W660-A775 HydrophobicContact CG-CB 3.98Å; W660-A775 HydrophobicContact CH2-CB 4.29Å; W660-A775 HydrophobicContact CZ2-CB 4.49Å; W660-A775 HydrophobicContact CZ3-CB 3.62Å
661P81.5Confident85.2Confident10 Ų1038.3 Ų38.37%0.06520%0.2CC..  trans-72.352.7176.433.8-36.7000111.4R656 M659 D663 D664 V668 Q669 V672R656-P661 HydrophobicContact CG-CB 4.19Å; M659-P661 VanDerWaalsContact C-CD 3.49Å; M659-P661 WeakPolarHBondContact O-CD 3.27Å; P661-D663 PolarHBondContact O-N 2.98Å; P661-D664 HydrophobicContact CB-CB 4.13Å; P661-D664 WeakPolarHBondContact O-CB 3.16Å; P661-D664 PolarHBondContact O-N 3.21Å; P661-V668 HydrophobicContact CB-CG1 3.91Å; P661-V668 HydrophobicContact CG-CG1 3.78Å; P661-Q669 WeakPolarHBondContact O-CG 3.47Å; P661-V672 HydrophobicContact CG-CG2 4.15Å
662L77.1Confident85Confident8 Ų840 Ų404%0.04221%0.21CC..THydrogen-bonded Turntrans-71-18.9-170.1-70.4-167.3000113.9W660 D664 Q669 F673 N692 L779W660-L662 HydrophobicContact CB-CG 4.07Å; W660-L662 HydrophobicContact CD2-CD1 4.01Å; W660-L662 HydrophobicContact CD2-CG 4.27Å; W660-L662 HydrophobicContact CE3-CD1 3.12Å; W660-L662 HydrophobicContact CE3-CG 3.81Å; W660-L662 HydrophobicContact CG-CG 4.41Å; W660-L662 HydrophobicContact CZ3-CD1 3.58Å; W660-L662 PolarHBondContact O-N 3.47Å; L662-D664 VanDerWaalsContact C-N 3.3Å; L662-Q669 PolarHBondContact O-NE2 2.91Å; L662-F673 HydrophobicContact CD2-CZ 4.41Å; L662-N692 HydrophobicContact CD1-CB 3.82Å; L662-N692 HydrophobicContact CD2-CB 4.14Å; L662-N692 HydrophobicContact CG-CB 4.43Å; L662-N692 PolarHBondContact O-ND2 3.4Å; L662-L779 HydrophobicContact CD1-CD1 3.92Å
663D75.1Confident85Confident35 Ų3539.8 Ų39.819%0.18721%0.208CC..THydrogen-bonded Turntrans-88.1-1.117468.6-53.5000112.8S652 L655 P661S652-D663 WeakPolarHBondContact CB-OD2 3.46Å; S652-D663 PolarHBondContact OG-OD2 3.33Å; L655-D663 HydrophobicContact CD1-CB 4.21Å; P661-D663 PolarHBondContact O-N 2.98Å
664D79.8Confident85.1Confident51 Ų5143 Ų4327%0.27323%0.225SC..SBendtrans-95.5176.6179.1-142.1-53.7000111.8R656 P661 L662 V668 Q669R656-D664 IonicContact NE-OD2 2.79Å; R656-D664 IonicContact NH2-OD2 3.27Å; R656-D664 PolarHBondContact NH2-OD2 2.9Å; P661-D664 HydrophobicContact CB-CB 4.13Å; P661-D664 WeakPolarHBondContact O-CB 3.16Å; P661-D664 PolarHBondContact O-N 3.21Å; L662-D664 VanDerWaalsContact C-N 3.3Å; D664-V668 HydrophobicContact CB-CB 4.09Å; D664-V668 HydrophobicContact CB-CG1 4.09Å; D664-Q669 PolarHBondContact O-NE2 3.35Å
665T82.5Confident84.9Confident84 Ų8445.8 Ų45.852%0.51525%0.245SC..  trans-64.5155.9-17862.40000113.1V667 V668 Q669T665-V667 PolarHBondContact O-N 3.3Å; T665-V668 PolarHBondContact O-N 3.35Å; T665-Q669 PolarHBondContact O-N 3.44Å; T665-Q669 VanDerWaalsContact O-N 3.07Å
666D85.8Confident84.7Confident57 Ų5746.1 Ų46.131%0.30525%0.247SC..Hα-helixtrans-54.1-30175.3-76.98.4000113.2V668 Q669 R670 K694 W697D666-V668 VanDerWaalsContact C-N 3.34Å; D666-Q669 PolarHBondContact O-N 3.39Å; D666-R670 WeakPolarHBondContact O-CB 3.48Å; D666-R670 VanDerWaalsContact O-CG 3.22Å; D666-R670 WeakPolarHBondContact O-CG 3.27Å; D666-R670 PolarHBondContact O-N 2.88Å; D666-K694 WeakPolarHBondContact OD1-CE 3.48Å; D666-K694 IonicContact OD1-NZ 3.91Å; D666-K694 PolarHBondContact OD1-NZ 3.01Å; D666-W697 HydrophobicContact CB-CH2 4.23Å; D666-W697 HydrophobicContact CB-CZ2 4.3Å
667V82.7Confident84.6Confident113 Ų11344.6 Ų44.669%0.68524%0.242SC*.Hα-helixtrans-64.7-38.8177.2-178.60000111.3T665 P671T665-V667 PolarHBondContact O-N 3.3Å; V667-P671 WeakPolarHBondContact O-CD 3.49Å
668V81.6Confident84.5Confident61 Ų6148.9 Ų48.937%0.3727%0.273SS..Hα-helixtrans-78.9-33.5178.4177.70000111.3P661 D664 T665 D666 P671P661-V668 HydrophobicContact CB-CG1 3.91Å; P661-V668 HydrophobicContact CG-CG1 3.78Å; D664-V668 HydrophobicContact CB-CB 4.09Å; D664-V668 HydrophobicContact CB-CG1 4.09Å; T665-V668 PolarHBondContact O-N 3.35Å; D666-V668 VanDerWaalsContact C-N 3.34Å; V668-P671 WeakPolarHBondContact O-CD 3.24Å
669Q86.1Confident84.2Confident6 Ų654.6 Ų54.63%0.02830%0.3CS..Hα-helixtrans-72.9-38.1179.3-66.2-176.13300113P661 L662 D664 T665 D666 V672 F673 N692 W697P661-Q669 WeakPolarHBondContact O-CG 3.47Å; L662-Q669 PolarHBondContact O-NE2 2.91Å; D664-Q669 PolarHBondContact O-NE2 3.35Å; T665-Q669 PolarHBondContact O-N 3.44Å; T665-Q669 VanDerWaalsContact O-N 3.07Å; D666-Q669 PolarHBondContact O-N 3.39Å; Q669-V672 WeakPolarHBondContact O-CB 3.5Å; Q669-V672 PolarHBondContact O-N 3.4Å; Q669-V672 VanDerWaalsContact O-N 3.1Å; Q669-F673 HydrophobicContact CB-CD2 4.45Å; Q669-F673 HydrophobicContact CB-CE2 4.26Å; Q669-F673 VanDerWaalsContact O-CD2 3.32Å; Q669-F673 WeakPolarHBondContact O-CD2 3.47Å; Q669-F673 PolarHBondContact O-N 3.18Å; Q669-N692 PolarHBondContact OE1-ND2 3.46Å; Q669-W697 HydrophobicContact CB-CZ3 4.39Å
670R86.7Confident84.3Confident138 Ų13854.5 Ų54.552%0.52131%0.309SS..Hα-helixtrans-52.7-49.4-175.1-85.8173.8-171.7-171.53.7114.2D666 V672 F673 E674 W697D666-R670 WeakPolarHBondContact O-CB 3.48Å; D666-R670 VanDerWaalsContact O-CG 3.22Å; D666-R670 WeakPolarHBondContact O-CG 3.27Å; D666-R670 PolarHBondContact O-N 2.88Å; R670-V672 PolarHBondContact O-N 2.8Å; R670-F673 PolarHBondContact O-N 2.9Å; R670-F673 VanDerWaalsContact O-N 3.12Å; R670-E674 WeakPolarHBondContact O-CG 3.4Å; R670-E674 PolarHBondContact O-N 3.21Å; R670-W697 HydrophobicContact CG-CH2 3.87Å; R670-W697 HydrophobicContact CG-CZ3 4.47Å
671P84.9Confident84.6Confident73 Ų7357.2 Ų57.247%0.47432%0.322SS..Hα-helixtrans-56.3-33.9178.5-27.834.6000114.1V667 V668 E674 S675V667-P671 WeakPolarHBondContact O-CD 3.49Å; V668-P671 WeakPolarHBondContact O-CD 3.24Å; P671-E674 PolarHBondContact O-N 3.49Å; P671-S675 WeakPolarHBondContact O-CB 3.4Å; P671-S675 PolarHBondContact O-N 2.98Å
672V85.7Confident85.2Confident38 Ų3859.4 Ų59.423%0.2333%0.33CS..Hα-helixtrans-66.3-47.4178.3-179.60000110.5M659 P661 Q669 R670 S675 L676 M688M659-V672 WeakPolarHBondContact O-CG1 3.38Å; P661-V672 HydrophobicContact CG-CG2 4.15Å; Q669-V672 WeakPolarHBondContact O-CB 3.5Å; Q669-V672 PolarHBondContact O-N 3.4Å; Q669-V672 VanDerWaalsContact O-N 3.1Å; R670-V672 PolarHBondContact O-N 2.8Å; V672-S675 WeakPolarHBondContact O-CB 3.33Å; V672-S675 PolarHBondContact O-N 2.8Å; V672-L676 PolarHBondContact O-N 2.79Å; V672-L676 VanDerWaalsContact O-N 3.17Å; V672-M688 HydrophobicContact CG1-CE 4.44Å
673F89.7Confident86Confident5 Ų560.9 Ų60.92%0.02234%0.336CS..Hα-helixtrans-67.6-36176.7-71.3-78.4000112.3L662 Q669 R670 S675 L676 C677 A685 M688 A689 W697 F701L662-F673 HydrophobicContact CD2-CZ 4.41Å; Q669-F673 HydrophobicContact CB-CD2 4.45Å; Q669-F673 HydrophobicContact CB-CE2 4.26Å; Q669-F673 VanDerWaalsContact O-CD2 3.32Å; Q669-F673 WeakPolarHBondContact O-CD2 3.47Å; Q669-F673 PolarHBondContact O-N 3.18Å; R670-F673 PolarHBondContact O-N 2.9Å; R670-F673 VanDerWaalsContact O-N 3.12Å; F673-S675 VanDerWaalsContact C-N 3.34Å; F673-L676 PolarHBondContact O-N 3.02Å; F673-C677 WeakPolarHBondContact O-CB 3.34Å; F673-C677 PolarHBondContact O-N 3.39Å; F673-C677 PolarHBondContact O-SG 2.81Å; F673-A685 HydrophobicContact CD1-CB 4.11Å; F673-A685 WeakPolarHBondContact CE1-O 3.09Å; F673-M688 HydrophobicContact CE1-CB 3.73Å; F673-M688 HydrophobicContact CE1-CE 4.26Å; F673-M688 HydrophobicContact CZ-CB 4.24Å; F673-A689 HydrophobicContact CE1-CB 4.01Å; F673-A689 HydrophobicContact CZ-CB 4.27Å; F673-W697 AromaticContact CD2-CE3 3.99Å; F673-W697 HydrophobicContact CD2-CE3 3.99Å; F673-W697 AromaticContact CD2-CZ3 3.68Å; F673-W697 HydrophobicContact CD2-CZ3 3.68Å; F673-W697 HydrophobicContact CE2-CE3 4Å; F673-W697 AromaticContact CE2-CZ3 3.8Å; F673-W697 HydrophobicContact CE2-CZ3 3.8Å; F673-F701 HydrophobicContact CB-CE1 4.32Å; F673-F701 HydrophobicContact CB-CE2 4.24Å; F673-F701 HydrophobicContact CB-CZ 3.61Å; F673-F701 HydrophobicContact CD1-CD2 4.39Å; F673-F701 AromaticContact CD1-CE2 3.51Å; F673-F701 HydrophobicContact CD1-CE2 3.51Å; F673-F701 AromaticContact CD1-CZ 3.8Å; F673-F701 HydrophobicContact CD1-CZ 3.8Å; F673-F701 HydrophobicContact CE1-CE2 4.04Å; F673-F701 AromaticContact CG-CE2 3.99Å; F673-F701 HydrophobicContact CG-CE2 3.99Å; F673-F701 AromaticContact CG-CZ 3.85Å; F673-F701 HydrophobicContact CG-CZ 3.85Å
674E87.2Confident86.9Confident124 Ų12461.3 Ų61.358%0.57934%0.335SS*.Hα-helixtrans-62.3-41.3174.4-74.1171.8-177.900111.6R670 P671 C677 S678R670-E674 WeakPolarHBondContact O-CG 3.4Å; R670-E674 PolarHBondContact O-N 3.21Å; P671-E674 PolarHBondContact O-N 3.49Å; E674-C677 PolarHBondContact O-N 3.29Å; E674-S678 WeakPolarHBondContact O-CB 3.33Å; E674-S678 PolarHBondContact O-N 3.18Å
675S85Confident87.6Confident59 Ų5958.9 Ų58.941%0.41332%0.322SS..Hα-helixtrans-59.3-48.4173.8-169.10000111.5P671 V672 F673 C677 S678 E679P671-S675 WeakPolarHBondContact O-CB 3.4Å; P671-S675 PolarHBondContact O-N 2.98Å; V672-S675 WeakPolarHBondContact O-CB 3.33Å; V672-S675 PolarHBondContact O-N 2.8Å; F673-S675 VanDerWaalsContact C-N 3.34Å; S675-C677 VanDerWaalsContact C-N 3.34Å; S675-C677 PolarHBondContact O-N 3.39Å; S675-S678 PolarHBondContact O-N 3.48Å; S675-S678 VanDerWaalsContact O-N 3.16Å; S675-S678 PolarHBondContact O-OG 3.48Å; S675-E679 PolarHBondContact O-N 2.87Å; S675-E679 VanDerWaalsContact O-N 3.1Å
676L87.7Confident88.1Confident12 Ų1254.9 Ų54.96%0.06330%0.298CS..Hα-helixtrans-61.9-41.2177.7-69.4167.9000112.4V672 F673 S678 E679 G680 Q681 R684 A685 M688V672-L676 PolarHBondContact O-N 2.79Å; V672-L676 VanDerWaalsContact O-N 3.17Å; F673-L676 PolarHBondContact O-N 3.02Å; L676-S678 VanDerWaalsContact C-N 3.31Å; L676-S678 PolarHBondContact O-N 2.7Å; L676-E679 PolarHBondContact O-N 3.49Å; L676-G680 PolarHBondContact O-N 3.32Å; L676-Q681 HydrophobicContact CD2-CB 4.46Å; L676-Q681 PolarHBondContact O-N 3.19Å; L676-R684 VanDerWaalsContact CD2-NH1 3.31Å; L676-A685 HydrophobicContact CB-CB 4.23Å; L676-A685 HydrophobicContact CD1-CB 4.42Å; L676-M688 HydrophobicContact CD1-CE 3.53Å; L676-M688 HydrophobicContact CD1-SD 3.34Å; L676-M688 WeakPolarHBondContact CD1-SD 3.43Å
677C88.1Confident88.6Confident10 Ų1052.2 Ų52.27%0.06828%0.284CS..Hα-helixtrans-64.8-37.1175.9-67.30000111.6F673 E674 S675 E679 G680 Y682 F701F673-C677 WeakPolarHBondContact O-CB 3.34Å; F673-C677 PolarHBondContact O-N 3.39Å; F673-C677 PolarHBondContact O-SG 2.81Å; E674-C677 PolarHBondContact O-N 3.29Å; S675-C677 VanDerWaalsContact C-N 3.34Å; S675-C677 PolarHBondContact O-N 3.39Å; C677-E679 VanDerWaalsContact C-N 3.26Å; C677-E679 PolarHBondContact O-N 3.06Å; C677-G680 PolarHBondContact O-N 2.89Å; C677-Y682 HydrophobicContact CB-CE1 3.98Å; C677-F701 VanDerWaalsContact SG-CD1 3.54Å; C677-F701 VanDerWaalsContact SG-CE1 3.53Å
678S86.6Confident89.1Confident98 Ų9847 Ų4769%0.68525%0.252SS*.Hα-helixtrans-66.6-29.1176.577.90000112.6E674 S675 L676 G680E674-S678 WeakPolarHBondContact O-CB 3.33Å; E674-S678 PolarHBondContact O-N 3.18Å; S675-S678 PolarHBondContact O-N 3.48Å; S675-S678 VanDerWaalsContact O-N 3.16Å; S675-S678 PolarHBondContact O-OG 3.48Å; L676-S678 VanDerWaalsContact C-N 3.31Å; L676-S678 PolarHBondContact O-N 2.7Å; S678-G680 VanDerWaalsContact C-N 3.25Å; S678-G680 PolarHBondContact O-N 2.5Å
679E85.1Confident89.6Confident119 Ų11944 Ų4456%0.55623%0.234SC*.THydrogen-bonded Turntrans-81.2-0.9171.3-67.2-179-166.700113.3S675 L676 C677 Q681S675-E679 PolarHBondContact O-N 2.87Å; S675-E679 VanDerWaalsContact O-N 3.1Å; L676-E679 PolarHBondContact O-N 3.49Å; C677-E679 VanDerWaalsContact C-N 3.26Å; C677-E679 PolarHBondContact O-N 3.06Å; E679-Q681 VanDerWaalsContact C-N 3.29Å; E679-Q681 HydrophobicContact CB-CG 4.24Å; E679-Q681 PolarHBondContact O-N 3.42Å; E679-Q681 PolarHBondContact OE2-NE2 3.25Å
680G87.9Confident89.9Confident39 Ų3943.8 Ų43.840%0.40223%0.233SC..THydrogen-bonded Turntrans74.212-177.300000114.9L676 C677 S678 Y682L676-G680 PolarHBondContact O-N 3.32Å; C677-G680 PolarHBondContact O-N 2.89Å; S678-G680 VanDerWaalsContact C-N 3.25Å; S678-G680 PolarHBondContact O-N 2.5Å; G680-Y682 VanDerWaalsContact C-N 3.27Å; G680-Y682 WeakPolarHBondContact O-CD2 3.39Å; G680-Y682 PolarHBondContact O-N 3.29Å
681Q90.8Very high90.2Very high62 Ų6237.7 Ų37.729%0.2921%0.211SC..  trans-86.458.9-177.7-65177.119.300111.9L676 E679 R684 A685L676-Q681 HydrophobicContact CD2-CB 4.46Å; L676-Q681 PolarHBondContact O-N 3.19Å; E679-Q681 VanDerWaalsContact C-N 3.29Å; E679-Q681 HydrophobicContact CB-CG 4.24Å; E679-Q681 PolarHBondContact O-N 3.42Å; E679-Q681 PolarHBondContact OE2-NE2 3.25Å; Q681-R684 HydrophobicContact CB-CB 4.15Å; Q681-R684 PolarHBondContact O-N 3.07Å; Q681-R684 VanDerWaalsContact OE1-CD 3.26Å; Q681-A685 WeakPolarHBondContact O-CB 3.49Å; Q681-A685 PolarHBondContact O-N 3.37Å
682Y93.4Very high90.5Very high55 Ų5534.7 Ų34.722%0.21619%0.191CC..Hα-helixtrans-66.7-37.9-175.6-66.3-76.9000113.1C677 G680 A685 A686 R704 A705C677-Y682 HydrophobicContact CB-CE1 3.98Å; G680-Y682 VanDerWaalsContact C-N 3.27Å; G680-Y682 WeakPolarHBondContact O-CD2 3.39Å; G680-Y682 PolarHBondContact O-N 3.29Å; Y682-A685 PolarHBondContact O-N 2.87Å; Y682-A686 VanDerWaalsContact O-CB 3.32Å; Y682-A686 WeakPolarHBondContact O-CB 3.12Å; Y682-A686 PolarHBondContact O-N 3.33Å; Y682-R704 HydrophobicContact CD1-CB 4.15Å; Y682-R704 HydrophobicContact CE1-CB 3.95Å; Y682-A705 HydrophobicContact CD2-CB 4.01Å; Y682-A705 HydrophobicContact CG-CB 3.91Å
683E94Very high90.7Very high39 Ų3933.2 Ų33.218%0.18218%0.181CC..Hα-helixtrans-68.7-39.8-179.4-52.193.7137.400111A686 A687 I711 N742 L745E683-A686 PolarHBondContact O-N 2.99Å; E683-A687 WeakPolarHBondContact O-CB 3.44Å; E683-A687 PolarHBondContact O-N 3.4Å; E683-I711 HydrophobicContact CG-CD1 3.97Å; E683-I711 HydrophobicContact CG-CG1 4.19Å; E683-N742 PolarHBondContact OE1-ND2 3.19Å; E683-L745 HydrophobicContact CB-CD2 3.96Å; E683-L745 HydrophobicContact CB-CG 4.24Å; E683-L745 HydrophobicContact CG-CD1 4.46Å; E683-L745 HydrophobicContact CG-CD2 3.94Å; E683-L745 HydrophobicContact CG-CG 4.17Å
684R93.6Very high90.8Very high44 Ų4433.4 Ų33.417%0.16618%0.182CC..Hα-helixtrans-63.2-49.9172-178.2176.8-179.2-145-5.9110.3L676 Q681 A686 A687 M688 Y744 C769 D772L676-R684 VanDerWaalsContact CD2-NH1 3.31Å; Q681-R684 HydrophobicContact CB-CB 4.15Å; Q681-R684 PolarHBondContact O-N 3.07Å; Q681-R684 VanDerWaalsContact OE1-CD 3.26Å; R684-A686 VanDerWaalsContact C-N 3.28Å; R684-A686 PolarHBondContact O-N 3.48Å; R684-A687 PolarHBondContact O-N 3.05Å; R684-M688 HydrophobicContact CG-CG 4.32Å; R684-M688 HydrophobicContact CG-SD 3.86Å; R684-M688 WeakPolarHBondContact O-CB 3.4Å; R684-M688 WeakPolarHBondContact O-CG 3.3Å; R684-M688 PolarHBondContact O-N 3.28Å; R684-Y744 HydrophobicContact CB-CD1 4.17Å; R684-Y744 HydrophobicContact CB-CD2 3.97Å; R684-Y744 HydrophobicContact CB-CE1 4.19Å; R684-Y744 HydrophobicContact CB-CE2 3.99Å; R684-Y744 HydrophobicContact CB-CG 4.06Å; R684-Y744 HydrophobicContact CG-CD1 4.06Å; R684-Y744 HydrophobicContact CG-CD2 4.42Å; R684-Y744 HydrophobicContact CG-CE1 3.66Å; R684-Y744 HydrophobicContact CG-CE2 4.05Å; R684-Y744 HydrophobicContact CG-CG 4.43Å; R684-C769 PolarHBondContact NH2-SG 3.37Å; R684-C769 VanDerWaalsContact NH2-SG 3.45Å; R684-D772 IonicContact CZ-OD1 3.43Å; R684-D772 IonicContact CZ-OD2 2.87Å; R684-D772 IonicContact NE-OD1 2.65Å; R684-D772 IonicContact NE-OD2 3.75Å; R684-D772 PolarHBondContact NE-OD2 2.87Å; R684-D772 IonicContact NH2-OD1 2.77Å; R684-D772 PolarHBondContact NH2-OD1 2.84Å; R684-D772 IonicContact NH2-OD2 3.82Å; R684-D772 PolarHBondContact NH2-OD2 3.42Å
685A93.7Very high90.9Very high0 Ų027.7 Ų27.70%016%0.156CC..Hα-helixtrans-57.1-40.8176.500000112.3F673 L676 Q681 Y682 M688 A689 F701F673-A685 HydrophobicContact CD1-CB 4.11Å; F673-A685 WeakPolarHBondContact CE1-O 3.09Å; L676-A685 HydrophobicContact CB-CB 4.23Å; L676-A685 HydrophobicContact CD1-CB 4.42Å; Q681-A685 WeakPolarHBondContact O-CB 3.49Å; Q681-A685 PolarHBondContact O-N 3.37Å; Y682-A685 PolarHBondContact O-N 2.87Å; A685-M688 PolarHBondContact O-N 2.94Å; A685-A689 WeakPolarHBondContact O-CB 3.49Å; A685-A689 PolarHBondContact O-N 3Å; A685-F701 HydrophobicContact CB-CB 4.42Å; A685-F701 HydrophobicContact CB-CD1 4.42Å; A685-F701 HydrophobicContact CB-CD2 4Å; A685-F701 HydrophobicContact CB-CE2 4.4Å; A685-F701 HydrophobicContact CB-CG 4.04Å
686A94.9Very high91.1Very high0 Ų028.9 Ų28.90%016%0.157CC..Hα-helixtrans-65.5-47.2176.900000112.3Y682 E683 R684 M688 A689 L690 A698 F701 L702 M748Y682-A686 VanDerWaalsContact O-CB 3.32Å; Y682-A686 WeakPolarHBondContact O-CB 3.12Å; Y682-A686 PolarHBondContact O-N 3.33Å; E683-A686 PolarHBondContact O-N 2.99Å; R684-A686 VanDerWaalsContact C-N 3.28Å; R684-A686 PolarHBondContact O-N 3.48Å; A686-M688 VanDerWaalsContact C-N 3.33Å; A686-M688 PolarHBondContact O-N 3.01Å; A686-A689 PolarHBondContact O-N 3.43Å; A686-L690 WeakPolarHBondContact O-CB 3.49Å; A686-L690 PolarHBondContact O-N 3.23Å; A686-A698 WeakPolarHBondContact O-CB 3.27Å; A686-F701 HydrophobicContact CB-CB 4.04Å; A686-L702 HydrophobicContact CB-CD2 3.58Å; A686-L702 HydrophobicContact CB-CG 3.68Å; A686-M748 HydrophobicContact CB-CE 3.84Å; A686-M748 HydrophobicContact CB-SD 4.18Å
687A94.8Very high91.4Very high2 Ų230.3 Ų30.32%0.01716%0.162CC..Hα-helixtrans-61.9-41.4176.400000111.7E683 R684 L690 I691 Y744 M748E683-A687 WeakPolarHBondContact O-CB 3.44Å; E683-A687 PolarHBondContact O-N 3.4Å; R684-A687 PolarHBondContact O-N 3.05Å; A687-L690 PolarHBondContact O-N 3.39Å; A687-I691 WeakPolarHBondContact O-CB 3.21Å; A687-I691 WeakPolarHBondContact O-CG1 3.3Å; A687-I691 PolarHBondContact O-N 3.44Å; A687-Y744 HydrophobicContact CB-CD1 3.91Å; A687-Y744 HydrophobicContact CB-CG 4.37Å; A687-M748 HydrophobicContact CB-CG 3.82Å; A687-M748 HydrophobicContact CB-SD 4.34Å
688M93.2Very high91.7Very high2 Ų229.8 Ų29.81%0.0116%0.159CC..Hα-helixtrans-59.5-48.4174.6-73.1-178.346.700112.6W660 V672 F673 L676 R684 A685 A686 L690 I691 N692W660-M688 HydrophobicContact CD2-CE 4.11Å; W660-M688 VanDerWaalsContact CE2-CE 3.48Å; W660-M688 HydrophobicContact CG-CE 4.25Å; W660-M688 HydrophobicContact CH2-CB 4.39Å; W660-M688 HydrophobicContact CH2-CG 3.83Å; W660-M688 HydrophobicContact CZ2-CB 4.2Å; W660-M688 HydrophobicContact CZ2-CE 3.99Å; W660-M688 HydrophobicContact CZ2-CG 3.27Å; W660-M688 HydrophobicContact CZ2-SD 3.76Å; V672-M688 HydrophobicContact CG1-CE 4.44Å; F673-M688 HydrophobicContact CE1-CB 3.73Å; F673-M688 HydrophobicContact CE1-CE 4.26Å; F673-M688 HydrophobicContact CZ-CB 4.24Å; L676-M688 HydrophobicContact CD1-CE 3.53Å; L676-M688 HydrophobicContact CD1-SD 3.34Å; L676-M688 WeakPolarHBondContact CD1-SD 3.43Å; R684-M688 HydrophobicContact CG-CG 4.32Å; R684-M688 HydrophobicContact CG-SD 3.86Å; R684-M688 WeakPolarHBondContact O-CB 3.4Å; R684-M688 WeakPolarHBondContact O-CG 3.3Å; R684-M688 PolarHBondContact O-N 3.28Å; A685-M688 PolarHBondContact O-N 2.94Å; A686-M688 VanDerWaalsContact C-N 3.33Å; A686-M688 PolarHBondContact O-N 3.01Å; M688-L690 VanDerWaalsContact C-N 3.32Å; M688-L690 PolarHBondContact O-N 2.86Å; M688-I691 PolarHBondContact O-N 3.42Å; M688-N692 PolarHBondContact O-N 3.47Å
689A92.7Very high91.9Very high0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-61.8-42.5177.700000111.4F673 A685 A686 N692 L693 K694 W697 A698 F701F673-A689 HydrophobicContact CE1-CB 4.01Å; F673-A689 HydrophobicContact CZ-CB 4.27Å; A685-A689 WeakPolarHBondContact O-CB 3.49Å; A685-A689 PolarHBondContact O-N 3Å; A686-A689 PolarHBondContact O-N 3.43Å; A689-N692 CarbonylContact O-C 3.41Å; A689-N692 PolarHBondContact O-N 3.11Å; A689-N692 VanDerWaalsContact O-N 3.15Å; A689-L693 PolarHBondContact O-N 2.97Å; A689-K694 HydrophobicContact CB-CB 4.41Å; A689-K694 PolarHBondContact O-N 3.07Å; A689-W697 HydrophobicContact CB-CB 3.83Å; A689-A698 HydrophobicContact CB-CB 4.13Å; A689-F701 HydrophobicContact CB-CD2 4.18Å; A689-F701 HydrophobicContact CB-CE2 4.1Å
690L93Very high92.2Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-63.9-45.8177.4-169.277.5000111.9W634 A686 A687 M688 N692 L693 F695 A698 L718 M748 L752W634-L690 HydrophobicContact CH2-CD1 4.26Å; W634-L690 HydrophobicContact CH2-CG 4.36Å; W634-L690 HydrophobicContact CZ3-CD1 3.84Å; W634-L690 HydrophobicContact CZ3-CG 4.23Å; W634-L690 WeakPolarHBondContact CZ3-O 3.44Å; A686-L690 WeakPolarHBondContact O-CB 3.49Å; A686-L690 PolarHBondContact O-N 3.23Å; A687-L690 PolarHBondContact O-N 3.39Å; M688-L690 VanDerWaalsContact C-N 3.32Å; M688-L690 PolarHBondContact O-N 2.86Å; L690-N692 PolarHBondContact O-N 3.2Å; L690-L693 PolarHBondContact O-N 2.81Å; L690-F695 HydrophobicContact CD1-CD2 3.7Å; L690-F695 HydrophobicContact CD1-CE2 3.74Å; L690-A698 HydrophobicContact CB-CB 4.03Å; L690-A698 HydrophobicContact CD1-CB 4.28Å; L690-L718 HydrophobicContact CD1-CD2 4.27Å; L690-L718 HydrophobicContact CD2-CD2 4.34Å; L690-M748 HydrophobicContact CB-CE 4.19Å; L690-M748 HydrophobicContact CD2-CB 3.63Å; L690-M748 HydrophobicContact CD2-CE 3.96Å; L690-M748 HydrophobicContact CD2-CG 3.76Å; L690-L752 HydrophobicContact CD1-CD1 4.3Å; L690-L752 HydrophobicContact CD1-CD2 4.34Å; L690-L752 HydrophobicContact CD2-CD1 4.01Å; L690-L752 HydrophobicContact CD2-CG 4.01Å
691I91.8Very high92.5Very high10 Ų1022.7 Ų22.75%0.05111%0.111CC..Hα-helixtrans-61.8-28.7174.8-71.1170.9000110.6W660 A687 M688 L693 V747 F751 L779 Y780W660-I691 HydrophobicContact CH2-CG2 4.4Å; W660-I691 HydrophobicContact CZ3-CG2 4.09Å; A687-I691 WeakPolarHBondContact O-CB 3.21Å; A687-I691 WeakPolarHBondContact O-CG1 3.3Å; A687-I691 PolarHBondContact O-N 3.44Å; M688-I691 PolarHBondContact O-N 3.42Å; I691-L693 VanDerWaalsContact C-N 3.3Å; I691-V747 HydrophobicContact CD1-CG1 3.92Å; I691-F751 HydrophobicContact CG1-CD2 4.43Å; I691-L779 HydrophobicContact CG2-CD1 4.21Å; I691-Y780 HydrophobicContact CG2-CE2 3.84Å; I691-Y780 PolarHBondContact O-OH 2.86Å
692N90.8Very high92.6Very high10 Ų1019.8 Ų19.85%0.05310%0.098CC..THydrogen-bonded Turntrans-87.111.6172.4-157.125.3000114.7R645 L662 Q669 M688 A689 L690 K694R645-N692 PolarHBondContact NH1-OD1 3.36Å; R645-N692 PolarHBondContact NH2-OD1 3.16Å; L662-N692 HydrophobicContact CD1-CB 3.82Å; L662-N692 HydrophobicContact CD2-CB 4.14Å; L662-N692 HydrophobicContact CG-CB 4.43Å; L662-N692 PolarHBondContact O-ND2 3.4Å; Q669-N692 PolarHBondContact OE1-ND2 3.46Å; M688-N692 PolarHBondContact O-N 3.47Å; A689-N692 CarbonylContact O-C 3.41Å; A689-N692 PolarHBondContact O-N 3.11Å; A689-N692 VanDerWaalsContact O-N 3.15Å; L690-N692 PolarHBondContact O-N 3.2Å; N692-K694 VanDerWaalsContact C-N 3.26Å; N692-K694 PolarHBondContact O-N 2.71Å
693L91.3Very high92.4Very high7 Ų722.6 Ų22.64%0.03712%0.116CC..THydrogen-bonded Turntrans65.521.3179.7-44.1179.3000115.1V632 W634 Q635 L641 A689 L690 I691 F751V632-L693 HydrophobicContact CB-CD1 4.05Å; V632-L693 HydrophobicContact CG1-CD1 3.47Å; V632-L693 VanDerWaalsContact CG1-CD1 3.47Å; W634-L693 HydrophobicContact CD2-CB 4.3Å; W634-L693 HydrophobicContact CD2-CD2 3.97Å; W634-L693 HydrophobicContact CE3-CB 4.01Å; W634-L693 HydrophobicContact CE3-CD2 3.99Å; W634-L693 HydrophobicContact CH2-CD2 3.8Å; W634-L693 HydrophobicContact CZ2-CD2 3.72Å; W634-L693 HydrophobicContact CZ3-CB 4.44Å; W634-L693 HydrophobicContact CZ3-CD2 3.9Å; Q635-L693 PolarHBondContact N-O 3.3Å; L641-L693 HydrophobicContact CD1-CD2 3.72Å; L641-L693 HydrophobicContact CD2-CD1 4.33Å; L641-L693 HydrophobicContact CD2-CD2 4.28Å; A689-L693 PolarHBondContact O-N 2.97Å; L690-L693 PolarHBondContact O-N 2.81Å; I691-L693 VanDerWaalsContact C-N 3.3Å; L693-F751 HydrophobicContact CD2-CE1 4.39Å; L693-F751 HydrophobicContact CD2-CZ 4.48Å
694K90.5Very high92.2Very high10 Ų1027.4 Ų27.44%0.04313%0.133CC..BIsolated β-bridgetrans-99.379.4177.5-63.6-170166.1-178.50110.8D666 A689 N692 D696 W697 A698D666-K694 WeakPolarHBondContact OD1-CE 3.48Å; D666-K694 IonicContact OD1-NZ 3.91Å; D666-K694 PolarHBondContact OD1-NZ 3.01Å; A689-K694 HydrophobicContact CB-CB 4.41Å; A689-K694 PolarHBondContact O-N 3.07Å; N692-K694 VanDerWaalsContact C-N 3.26Å; N692-K694 PolarHBondContact O-N 2.71Å; K694-D696 PolarHBondContact O-N 3.46Å; K694-W697 HydrophobicContact CB-CB 4.04Å; K694-W697 HydrophobicContact CB-CD2 4.44Å; K694-W697 HydrophobicContact CB-CG 4.12Å; K694-W697 HydrophobicContact CD-CD2 3.82Å; K694-W697 HydrophobicContact CD-CE3 3.77Å; K694-W697 HydrophobicContact CD-CG 4.34Å; K694-W697 HydrophobicContact CD-CH2 4.31Å; K694-W697 HydrophobicContact CD-CZ2 4.33Å; K694-W697 HydrophobicContact CD-CZ3 4.03Å; K694-W697 VanDerWaalsContact NZ-CH2 3.32Å; K694-W697 PolarHBondContact O-N 2.93Å; K694-A698 PolarHBondContact O-N 3.2Å; K694-A698 VanDerWaalsContact O-N 3.13Å
695F89.2Confident91.8Very high4 Ų425.9 Ų25.92%0.01813%0.13CC..Hα-helixtrans-63.7-43.5-171.5-155-86000112.7W634 Q635 I637 L690 W697 A698 L699 L718 Y721 L752W634-F695 HydrophobicContact CE3-CD2 4.11Å; W634-F695 HydrophobicContact CZ3-CD2 4.14Å; Q635-F695 WeakPolarHBondContact O-CB 3.23Å; Q635-F695 PolarHBondContact O-N 2.64Å; I637-F695 HydrophobicContact CD1-CB 4.37Å; I637-F695 HydrophobicContact CD1-CD1 3.37Å; I637-F695 HydrophobicContact CD1-CD2 3.6Å; I637-F695 HydrophobicContact CD1-CE1 3.37Å; I637-F695 HydrophobicContact CD1-CE2 3.59Å; I637-F695 HydrophobicContact CD1-CG 3.48Å; I637-F695 VanDerWaalsContact CD1-CG 3.48Å; I637-F695 HydrophobicContact CD1-CZ 3.47Å; I637-F695 VanDerWaalsContact CD1-CZ 3.47Å; I637-F695 HydrophobicContact CG1-CB 4.22Å; I637-F695 HydrophobicContact CG1-CD1 3.82Å; I637-F695 HydrophobicContact CG1-CD2 4.31Å; I637-F695 HydrophobicContact CG1-CE1 4.28Å; I637-F695 HydrophobicContact CG1-CG 3.84Å; L690-F695 HydrophobicContact CD1-CD2 3.7Å; L690-F695 HydrophobicContact CD1-CE2 3.74Å; F695-W697 VanDerWaalsContact C-N 3.26Å; F695-W697 PolarHBondContact O-N 3.47Å; F695-A698 WeakPolarHBondContact O-CB 3.31Å; F695-A698 PolarHBondContact O-N 3.17Å; F695-A698 VanDerWaalsContact O-N 3.16Å; F695-L699 HydrophobicContact CD1-CD1 3.84Å; F695-L699 HydrophobicContact CD1-CG 4.13Å; F695-L699 HydrophobicContact CE1-CD1 3.65Å; F695-L699 HydrophobicContact CE1-CD2 4.47Å; F695-L699 HydrophobicContact CE1-CG 3.88Å; F695-L699 PolarHBondContact O-N 3.08Å; F695-L718 HydrophobicContact CE1-CB 4.27Å; F695-L718 HydrophobicContact CE2-CD2 4.25Å; F695-L718 HydrophobicContact CZ-CB 3.8Å; F695-L718 HydrophobicContact CZ-CD2 4.08Å; F695-L718 WeakPolarHBondContact CZ-O 3.31Å; F695-Y721 HydrophobicContact CE2-CD1 4.41Å; F695-L752 HydrophobicContact CE2-CD1 4.48Å
696D90.9Very high91Very high84 Ų8430.7 Ų30.745%0.44916%0.163SC..Hα-helixtrans-60.8-37.1179.5-61.3-36.3000112.2G636 K694 S700G636-D696 WeakPolarHBondContact CA-OD1 3.43Å; G636-D696 VanDerWaalsContact CA-OD2 3.26Å; G636-D696 WeakPolarHBondContact CA-OD2 3.27Å; K694-D696 PolarHBondContact O-N 3.46Å; D696-S700 VanDerWaalsContact O-CB 3.27Å; D696-S700 WeakPolarHBondContact O-CB 3.15Å; D696-S700 PolarHBondContact O-N 3.39Å
697W92.8Very high90Very high41 Ų4135.6 Ų35.616%0.15520%0.197CC..Hα-helixtrans-70.9-41.9178.7-70.627.2000110.4D666 Q669 R670 F673 A689 K694 F695 L699 S700 F701D666-W697 HydrophobicContact CB-CH2 4.23Å; D666-W697 HydrophobicContact CB-CZ2 4.3Å; Q669-W697 HydrophobicContact CB-CZ3 4.39Å; R670-W697 HydrophobicContact CG-CH2 3.87Å; R670-W697 HydrophobicContact CG-CZ3 4.47Å; F673-W697 AromaticContact CD2-CE3 3.99Å; F673-W697 HydrophobicContact CD2-CE3 3.99Å; F673-W697 AromaticContact CD2-CZ3 3.68Å; F673-W697 HydrophobicContact CD2-CZ3 3.68Å; F673-W697 HydrophobicContact CE2-CE3 4Å; F673-W697 AromaticContact CE2-CZ3 3.8Å; F673-W697 HydrophobicContact CE2-CZ3 3.8Å; A689-W697 HydrophobicContact CB-CB 3.83Å; K694-W697 HydrophobicContact CB-CB 4.04Å; K694-W697 HydrophobicContact CB-CD2 4.44Å; K694-W697 HydrophobicContact CB-CG 4.12Å; K694-W697 HydrophobicContact CD-CD2 3.82Å; K694-W697 HydrophobicContact CD-CE3 3.77Å; K694-W697 HydrophobicContact CD-CG 4.34Å; K694-W697 HydrophobicContact CD-CH2 4.31Å; K694-W697 HydrophobicContact CD-CZ2 4.33Å; K694-W697 HydrophobicContact CD-CZ3 4.03Å; K694-W697 VanDerWaalsContact NZ-CH2 3.32Å; K694-W697 PolarHBondContact O-N 2.93Å; F695-W697 VanDerWaalsContact C-N 3.26Å; F695-W697 PolarHBondContact O-N 3.47Å; W697-L699 PolarHBondContact O-N 3.18Å; W697-S700 WeakPolarHBondContact O-CB 3.34Å; W697-S700 PolarHBondContact O-N 2.87Å; W697-F701 HydrophobicContact CB-CD2 4.43Å; W697-F701 HydrophobicContact CB-CE2 3.94Å; W697-F701 HydrophobicContact CE3-CE2 4.44Å; W697-F701 WeakPolarHBondContact O-CD2 3.45Å; W697-F701 WeakPolarHBondContact O-CG 3.34Å; W697-F701 PolarHBondContact O-N 2.83Å
698A93.8Very high89.5Confident0 Ų039.2 Ų39.20%022%0.217CC..Hα-helixtrans-58.1-48.5176.600000111.8A686 A689 L690 K694 F695 F701 L702 M748A686-A698 WeakPolarHBondContact O-CB 3.27Å; A689-A698 HydrophobicContact CB-CB 4.13Å; L690-A698 HydrophobicContact CB-CB 4.03Å; L690-A698 HydrophobicContact CD1-CB 4.28Å; K694-A698 PolarHBondContact O-N 3.2Å; K694-A698 VanDerWaalsContact O-N 3.13Å; F695-A698 WeakPolarHBondContact O-CB 3.31Å; F695-A698 PolarHBondContact O-N 3.17Å; F695-A698 VanDerWaalsContact O-N 3.16Å; A698-F701 PolarHBondContact O-N 3.27Å; A698-L702 WeakPolarHBondContact O-CG 3.37Å; A698-L702 PolarHBondContact O-N 3.26Å; A698-L702 VanDerWaalsContact O-N 3.15Å; A698-M748 HydrophobicContact CB-CE 4.18Å
699L91.7Very high89.1Confident34 Ų3442.7 Ų42.718%0.17825%0.246CC..Hα-helixtrans-62.7-41.9174.9-77177.2000112.2F695 W697 F701 L702 N703 L718 A719F695-L699 HydrophobicContact CD1-CD1 3.84Å; F695-L699 HydrophobicContact CD1-CG 4.13Å; F695-L699 HydrophobicContact CE1-CD1 3.65Å; F695-L699 HydrophobicContact CE1-CD2 4.47Å; F695-L699 HydrophobicContact CE1-CG 3.88Å; F695-L699 PolarHBondContact O-N 3.08Å; W697-L699 PolarHBondContact O-N 3.18Å; L699-F701 VanDerWaalsContact C-N 3.32Å; L699-F701 PolarHBondContact O-N 3.12Å; L699-L702 PolarHBondContact O-N 3.48Å; L699-N703 WeakPolarHBondContact O-CB 3.47Å; L699-N703 VanDerWaalsContact O-CG 3.25Å; L699-N703 PolarHBondContact O-N 3.26Å; L699-N703 PolarHBondContact O-ND2 3.43Å; L699-L718 HydrophobicContact CD2-CB 3.83Å; L699-A719 HydrophobicContact CD2-CB 4.46Å
700S92.2Very high89Confident57 Ų5744.7 Ų44.740%0.39926%0.257SS..Hα-helixtrans-59.9-41.2177.9-175.70000112.2D696 W697 R704D696-S700 VanDerWaalsContact O-CB 3.27Å; D696-S700 WeakPolarHBondContact O-CB 3.15Å; D696-S700 PolarHBondContact O-N 3.39Å; W697-S700 WeakPolarHBondContact O-CB 3.34Å; W697-S700 PolarHBondContact O-N 2.87Å; S700-R704 WeakPolarHBondContact O-CD 3.4Å; S700-R704 VanDerWaalsContact O-CG 3.23Å; S700-R704 WeakPolarHBondContact O-CG 3.25Å; S700-R704 PolarHBondContact O-N 3.44Å
701F93.5Very high88.9Confident16 Ų1644.9 Ų44.97%0.0726%0.257CS..Hα-helixtrans-69.7-41.8178.7-65.4-48.7000112.6F673 C677 A685 A686 A689 W697 A698 L699 N703 R704 A705F673-F701 HydrophobicContact CB-CE1 4.32Å; F673-F701 HydrophobicContact CB-CE2 4.24Å; F673-F701 HydrophobicContact CB-CZ 3.61Å; F673-F701 HydrophobicContact CD1-CD2 4.39Å; F673-F701 AromaticContact CD1-CE2 3.51Å; F673-F701 HydrophobicContact CD1-CE2 3.51Å; F673-F701 AromaticContact CD1-CZ 3.8Å; F673-F701 HydrophobicContact CD1-CZ 3.8Å; F673-F701 HydrophobicContact CE1-CE2 4.04Å; F673-F701 AromaticContact CG-CE2 3.99Å; F673-F701 HydrophobicContact CG-CE2 3.99Å; F673-F701 AromaticContact CG-CZ 3.85Å; F673-F701 HydrophobicContact CG-CZ 3.85Å; C677-F701 VanDerWaalsContact SG-CD1 3.54Å; C677-F701 VanDerWaalsContact SG-CE1 3.53Å; A685-F701 HydrophobicContact CB-CB 4.42Å; A685-F701 HydrophobicContact CB-CD1 4.42Å; A685-F701 HydrophobicContact CB-CD2 4Å; A685-F701 HydrophobicContact CB-CE2 4.4Å; A685-F701 HydrophobicContact CB-CG 4.04Å; A686-F701 HydrophobicContact CB-CB 4.04Å; A689-F701 HydrophobicContact CB-CD2 4.18Å; A689-F701 HydrophobicContact CB-CE2 4.1Å; W697-F701 HydrophobicContact CB-CD2 4.43Å; W697-F701 HydrophobicContact CB-CE2 3.94Å; W697-F701 HydrophobicContact CE3-CE2 4.44Å; W697-F701 WeakPolarHBondContact O-CD2 3.45Å; W697-F701 WeakPolarHBondContact O-CG 3.34Å; W697-F701 PolarHBondContact O-N 2.83Å; A698-F701 PolarHBondContact O-N 3.27Å; L699-F701 VanDerWaalsContact C-N 3.32Å; L699-F701 PolarHBondContact O-N 3.12Å; F701-N703 PolarHBondContact O-N 3.37Å; F701-R704 PolarHBondContact O-N 3.23Å; F701-A705 PolarHBondContact O-N 3.3Å
702L92.3Very high88.7Confident1 Ų147.7 Ų47.71%0.00527%0.273CS..Hα-helixtrans-62.2-43.7175.7-65.4177.5000111.7A686 A698 L699 R704 A705 I711 V714 A715 L718 L745 M748A686-L702 HydrophobicContact CB-CD2 3.58Å; A686-L702 HydrophobicContact CB-CG 3.68Å; A698-L702 WeakPolarHBondContact O-CG 3.37Å; A698-L702 PolarHBondContact O-N 3.26Å; A698-L702 VanDerWaalsContact O-N 3.15Å; L699-L702 PolarHBondContact O-N 3.48Å; L702-R704 PolarHBondContact O-N 3.06Å; L702-A705 WeakPolarHBondContact O-CB 3.31Å; L702-A705 PolarHBondContact O-N 3.32Å; L702-A705 VanDerWaalsContact O-N 3.12Å; L702-I711 HydrophobicContact CB-CG2 4.09Å; L702-I711 HydrophobicContact CD2-CG2 4.09Å; L702-V714 HydrophobicContact CD1-CG1 4.04Å; L702-A715 HydrophobicContact CB-CB 4.08Å; L702-A715 HydrophobicContact CD1-CB 4.04Å; L702-L718 HydrophobicContact CD1-CD1 3.43Å; L702-L718 VanDerWaalsContact CD1-CD1 3.43Å; L702-L745 HydrophobicContact CD2-CD2 3.94Å; L702-M748 HydrophobicContact CD1-CE 4.03Å; L702-M748 HydrophobicContact CD1-SD 4.49Å; L702-M748 HydrophobicContact CD2-SD 4.49Å
703N89.7Confident88.6Confident114 Ų11450.3 Ų50.361%0.6129%0.286SS*.Hα-helixtrans-67.5-15.9178.8-69.7-25000113.9L699 F701L699-N703 WeakPolarHBondContact O-CB 3.47Å; L699-N703 VanDerWaalsContact O-CG 3.25Å; L699-N703 PolarHBondContact O-N 3.26Å; L699-N703 PolarHBondContact O-ND2 3.43Å; F701-N703 PolarHBondContact O-N 3.37Å
704R89.1Confident88.6Confident139 Ų13950 Ų5053%0.52528%0.284SS..Hα-helixtrans-92.7-17.7175.6-74.7171.762.3172.5-0.1113Y682 S700 F701 L702Y682-R704 HydrophobicContact CD1-CB 4.15Å; Y682-R704 HydrophobicContact CE1-CB 3.95Å; S700-R704 WeakPolarHBondContact O-CD 3.4Å; S700-R704 VanDerWaalsContact O-CG 3.23Å; S700-R704 WeakPolarHBondContact O-CG 3.25Å; S700-R704 PolarHBondContact O-N 3.44Å; F701-R704 PolarHBondContact O-N 3.23Å; L702-R704 PolarHBondContact O-N 3.06Å
705A86.7Confident88.5Confident13 Ų1349.8 Ų49.811%0.10729%0.285CS..SBendtrans-65.6155.7174.300000110.1Y682 F701 L702 S707 I711Y682-A705 HydrophobicContact CD2-CB 4.01Å; Y682-A705 HydrophobicContact CG-CB 3.91Å; F701-A705 PolarHBondContact O-N 3.3Å; L702-A705 WeakPolarHBondContact O-CB 3.31Å; L702-A705 PolarHBondContact O-N 3.32Å; L702-A705 VanDerWaalsContact O-N 3.12Å; A705-S707 PolarHBondContact O-N 2.99Å; A705-I711 HydrophobicContact CB-CD1 3.72Å; A705-I711 HydrophobicContact CB-CG2 4.18Å
706S75.7Confident88.5Confident101 Ų10155.6 Ų55.671%0.70632%0.315SS*.  trans-58.3135.7169.346.80000109.9D708S706-D708 PolarHBondContact O-N 3.31Å
707S74.4Confident88.3Confident102 Ų10252.4 Ų52.471%0.71330%0.301SS*.  trans-58.596.8-178.7176.40000110.6A705 D712A705-S707 PolarHBondContact O-N 2.99Å; S707-D712 PolarHBondContact OG-OD2 3.5Å
708D83.4Confident88.1Confident79 Ų7950.4 Ų50.442%0.42229%0.293SS..  trans-105.3134.8167.2-174.3-25000106.1S706 D710 I711 D712S706-D708 PolarHBondContact O-N 3.31Å; D708-D710 PolarHBondContact O-N 3.16Å; D708-D710 VanDerWaalsContact O-N 3.17Å; D708-D710 PolarHBondContact OD1-N 3.5Å; D708-D710 VanDerWaalsContact OD1-N 3.12Å; D708-I711 HydrophobicContact CB-CB 4.17Å; D708-I711 HydrophobicContact CB-CD1 3.81Å; D708-I711 HydrophobicContact CB-CG1 3.9Å; D708-I711 WeakPolarHBondContact O-CB 3.47Å; D708-I711 PolarHBondContact O-N 3.32Å; D708-D712 PolarHBondContact O-N 3.4Å
709A86.3Confident87.7Confident75 Ų7553.8 Ų53.862%0.6232%0.321SS*.Hα-helixtrans-55.9-35-178.500000112L713A709-L713 WeakPolarHBondContact O-CB 3.34Å; A709-L713 PolarHBondContact O-N 3.39Å
710D89.8Confident87.3Confident42 Ų4254.2 Ų54.223%0.22533%0.333CS..Hα-helixtrans-68.5-38.7177.3-80.70.8000111.6D708 V714 L740 L745D708-D710 PolarHBondContact O-N 3.16Å; D708-D710 VanDerWaalsContact O-N 3.17Å; D708-D710 PolarHBondContact OD1-N 3.5Å; D708-D710 VanDerWaalsContact OD1-N 3.12Å; D710-V714 WeakPolarHBondContact O-CG2 3.41Å; D710-V714 PolarHBondContact O-N 2.95Å; D710-L740 HydrophobicContact CB-CD2 3.75Å; D710-L745 HydrophobicContact CB-CD1 4.16Å
711I90.5Very high86.9Confident3 Ų352 Ų522%0.01532%0.316CS..Hα-helixtrans-68.7-47.7178.3-66176.9000110.3E683 L702 A705 D708 L713 V714 A715 L745E683-I711 HydrophobicContact CG-CD1 3.97Å; E683-I711 HydrophobicContact CG-CG1 4.19Å; L702-I711 HydrophobicContact CB-CG2 4.09Å; L702-I711 HydrophobicContact CD2-CG2 4.09Å; A705-I711 HydrophobicContact CB-CD1 3.72Å; A705-I711 HydrophobicContact CB-CG2 4.18Å; D708-I711 HydrophobicContact CB-CB 4.17Å; D708-I711 HydrophobicContact CB-CD1 3.81Å; D708-I711 HydrophobicContact CB-CG1 3.9Å; D708-I711 WeakPolarHBondContact O-CB 3.47Å; D708-I711 PolarHBondContact O-N 3.32Å; I711-L713 VanDerWaalsContact C-N 3.28Å; I711-L713 PolarHBondContact O-N 2.9Å; I711-V714 PolarHBondContact O-N 2.7Å; I711-A715 WeakPolarHBondContact O-CB 3.26Å; I711-A715 PolarHBondContact O-N 2.88Å; I711-L745 HydrophobicContact CG1-CD1 4.12Å
712D88.7Confident86Confident70 Ų7055.9 Ų55.937%0.37434%0.342SS..Hα-helixtrans-62.2-38.8179.5-70.8-28.6000111S707 D708 A715 L716S707-D712 PolarHBondContact OG-OD2 3.5Å; D708-D712 PolarHBondContact O-N 3.4Å; D712-A715 PolarHBondContact O-N 3.42Å; D712-L716 VanDerWaalsContact O-CB 3.32Å; D712-L716 WeakPolarHBondContact O-CB 3.48Å; D712-L716 PolarHBondContact O-N 3.08Å
713L88.5Confident84.9Confident64 Ų6457.9 Ų57.934%0.33535%0.353SS..Hα-helixtrans-63-44.7174.9-178.666.2000112.1A709 I711 A717 L736A709-L713 WeakPolarHBondContact O-CB 3.34Å; A709-L713 PolarHBondContact O-N 3.39Å; I711-L713 VanDerWaalsContact C-N 3.28Å; I711-L713 PolarHBondContact O-N 2.9Å; L713-A717 WeakPolarHBondContact O-CB 3.44Å; L713-A717 PolarHBondContact O-N 3.32Å; L713-L736 HydrophobicContact CD1-CD1 4.29Å; L713-L736 HydrophobicContact CD2-CD1 4.07Å; L713-L736 HydrophobicContact CD2-CD2 3.82Å; L713-L736 HydrophobicContact CD2-CG 4.43Å; L713-L736 HydrophobicContact CG-CD1 4.17Å
714V90.4Very high83.7Confident0 Ų053 Ų530%033%0.327CS..Hα-helixtrans-68.2-43.2178.1173.30000110.8L702 D710 I711 L716 A717 L718 L740 L745 M748 F749L702-V714 HydrophobicContact CD1-CG1 4.04Å; D710-V714 WeakPolarHBondContact O-CG2 3.41Å; D710-V714 PolarHBondContact O-N 2.95Å; I711-V714 PolarHBondContact O-N 2.7Å; V714-L716 VanDerWaalsContact C-N 3.32Å; V714-L716 PolarHBondContact O-N 2.89Å; V714-A717 PolarHBondContact O-N 3.39Å; V714-L718 HydrophobicContact CG1-CD1 3.89Å; V714-L718 HydrophobicContact CG1-CG 4.27Å; V714-L718 WeakPolarHBondContact O-CB 3.25Å; V714-L718 VanDerWaalsContact O-CG 3.24Å; V714-L718 WeakPolarHBondContact O-CG 3.45Å; V714-L718 PolarHBondContact O-N 2.94Å; V714-L740 HydrophobicContact CG2-CD1 3.94Å; V714-L740 HydrophobicContact CG2-CD2 4Å; V714-L745 HydrophobicContact CB-CD2 4.36Å; V714-L745 HydrophobicContact CG1-CD2 4.21Å; V714-L745 HydrophobicContact CG2-CB 4.19Å; V714-L745 HydrophobicContact CG2-CD1 4.44Å; V714-L745 HydrophobicContact CG2-CD2 4.32Å; V714-M748 HydrophobicContact CG1-SD 4.17Å; V714-F749 HydrophobicContact CB-CZ 4.26Å; V714-F749 HydrophobicContact CG1-CE1 4.3Å; V714-F749 HydrophobicContact CG1-CZ 4.38Å; V714-F749 HydrophobicContact CG2-CE1 4.44Å; V714-F749 HydrophobicContact CG2-CE2 3.9Å; V714-F749 HydrophobicContact CG2-CZ 3.75Å
715A90.1Very high82.7Confident7 Ų755.4 Ų55.46%0.05834%0.336CS..Hα-helixtrans-59.1-43.6176.500000111.6L702 I711 D712 L718 A719L702-A715 HydrophobicContact CB-CB 4.08Å; L702-A715 HydrophobicContact CD1-CB 4.04Å; I711-A715 WeakPolarHBondContact O-CB 3.26Å; I711-A715 PolarHBondContact O-N 2.88Å; D712-A715 PolarHBondContact O-N 3.42Å; A715-L718 PolarHBondContact O-N 3.23Å; A715-A719 WeakPolarHBondContact O-CB 3.31Å; A715-A719 PolarHBondContact O-N 3.12Å
716L88.3Confident82.3Confident125 Ų12557.8 Ų57.865%0.65435%0.347SS*.Hα-helixtrans-62.6-46.1174.7-179.664.1000112D712 V714 L718 A719 G720D712-L716 VanDerWaalsContact O-CB 3.32Å; D712-L716 WeakPolarHBondContact O-CB 3.48Å; D712-L716 PolarHBondContact O-N 3.08Å; V714-L716 VanDerWaalsContact C-N 3.32Å; V714-L716 PolarHBondContact O-N 2.89Å; L716-L718 VanDerWaalsContact C-N 3.3Å; L716-L718 PolarHBondContact O-N 3.29Å; L716-A719 PolarHBondContact O-N 3.32Å; L716-G720 PolarHBondContact O-N 3.49Å
717A86.8Confident82.5Confident17 Ų1760.2 Ų60.214%0.1435%0.347CS..Hα-helixtrans-64.8-34179.800000112.7L713 V714 W729 F749L713-A717 WeakPolarHBondContact O-CB 3.44Å; L713-A717 PolarHBondContact O-N 3.32Å; V714-A717 PolarHBondContact O-N 3.39Å; A717-W729 PolarHBondContact O-NE1 3.45Å; A717-F749 HydrophobicContact CB-CE1 3.53Å; A717-F749 HydrophobicContact CB-CZ 3.64Å
718L88.6Confident83Confident0 Ų061.6 Ų61.60%035%0.346CS..Hα-helixtrans-69.6-47.3172.7-71171.3000111.6L690 F695 L699 L702 V714 A715 L716 G720 Y721 M748 L752L690-L718 HydrophobicContact CD1-CD2 4.27Å; L690-L718 HydrophobicContact CD2-CD2 4.34Å; F695-L718 HydrophobicContact CE1-CB 4.27Å; F695-L718 HydrophobicContact CE2-CD2 4.25Å; F695-L718 HydrophobicContact CZ-CB 3.8Å; F695-L718 HydrophobicContact CZ-CD2 4.08Å; F695-L718 WeakPolarHBondContact CZ-O 3.31Å; L699-L718 HydrophobicContact CD2-CB 3.83Å; L702-L718 HydrophobicContact CD1-CD1 3.43Å; L702-L718 VanDerWaalsContact CD1-CD1 3.43Å; V714-L718 HydrophobicContact CG1-CD1 3.89Å; V714-L718 HydrophobicContact CG1-CG 4.27Å; V714-L718 WeakPolarHBondContact O-CB 3.25Å; V714-L718 VanDerWaalsContact O-CG 3.24Å; V714-L718 WeakPolarHBondContact O-CG 3.45Å; V714-L718 PolarHBondContact O-N 2.94Å; A715-L718 PolarHBondContact O-N 3.23Å; L716-L718 VanDerWaalsContact C-N 3.3Å; L716-L718 PolarHBondContact O-N 3.29Å; L718-G720 PolarHBondContact O-N 3.47Å; L718-G720 VanDerWaalsContact O-N 3.09Å; L718-Y721 VanDerWaalsContact O-CB 3.23Å; L718-Y721 WeakPolarHBondContact O-CB 3.36Å; L718-Y721 PolarHBondContact O-N 3.49Å; L718-M748 HydrophobicContact CD1-CE 3.35Å; L718-M748 HydrophobicContact CD1-SD 4.42Å; L718-L752 HydrophobicContact CD2-CD1 3.15Å
719A85.4Confident83.1Confident70 Ų7059.3 Ų59.358%0.57933%0.331SS*.Hα-helixtrans-57.9-27.4178.200000112.9L699 A715 L716L699-A719 HydrophobicContact CD2-CB 4.46Å; A715-A719 WeakPolarHBondContact O-CB 3.31Å; A715-A719 PolarHBondContact O-N 3.12Å; L716-A719 PolarHBondContact O-N 3.32Å
720G83.2Confident82.9Confident43 Ų4358.2 Ų58.244%0.44331%0.311SS..THydrogen-bonded Turntrans-87.92.9174.800000116L716 L718 T722L716-G720 PolarHBondContact O-N 3.49Å; L718-G720 PolarHBondContact O-N 3.47Å; L718-G720 VanDerWaalsContact O-N 3.09Å; G720-T722 PolarHBondContact O-N 3.4Å
721Y83.7Confident82.7Confident10 Ų1060 Ų604%0.03932%0.323CS..  trans-74.2121.5-178-174.6-99.9000111.4I637 F695 L718 T724 W729 L752I637-Y721 HydrophobicContact CD1-CD1 4.45Å; F695-Y721 HydrophobicContact CE2-CD1 4.41Å; L718-Y721 VanDerWaalsContact O-CB 3.23Å; L718-Y721 WeakPolarHBondContact O-CB 3.36Å; L718-Y721 PolarHBondContact O-N 3.49Å; Y721-T724 WeakPolarHBondContact OH-CG2 3.44Å; Y721-W729 HydrophobicContact CD2-CD2 4.35Å; Y721-W729 AromaticContact CD2-CE2 3.98Å; Y721-W729 HydrophobicContact CD2-CE3 4.4Å; Y721-W729 AromaticContact CD2-CH2 3.84Å; Y721-W729 HydrophobicContact CD2-CH2 3.84Å; Y721-W729 AromaticContact CD2-CZ2 3.72Å; Y721-W729 HydrophobicContact CD2-CZ2 3.72Å; Y721-W729 HydrophobicContact CD2-CZ3 4.16Å; Y721-W729 HydrophobicContact CE2-CE3 4.43Å; Y721-W729 HydrophobicContact CE2-CH2 4.05Å; Y721-W729 HydrophobicContact CE2-CZ2 4.39Å; Y721-W729 HydrophobicContact CE2-CZ3 4.05Å; Y721-L752 HydrophobicContact CD1-CD2 4.36Å; Y721-L752 HydrophobicContact CD2-CB 4.39Å; Y721-L752 HydrophobicContact CD2-CD1 4.31Å; Y721-L752 HydrophobicContact CE1-CD2 3.95Å; Y721-L752 HydrophobicContact CE2-CB 3.88Å; Y721-L752 HydrophobicContact CE2-CD2 4.2Å; Y721-L752 HydrophobicContact CE2-CG 4.43Å; Y721-L752 HydrophobicContact CG-CD1 4.46Å; Y721-L752 PolarHBondContact OH-O 3.2Å
722T75.1Confident82.4Confident98 Ų9863.1 Ų63.160%0.60134%0.343SS*.  trans-128.5-33.3-172.946.10000114.3V639 G720V639-T722 WeakPolarHBondContact CG2-O 3.36Å; G720-T722 PolarHBondContact O-N 3.4Å
723D69Low82.2Confident44 Ų4459.9 Ų59.924%0.23533%0.325CS..  trans-159.3140.8172.5-173.9-11.1000109.5R725 N726D723-R725 PolarHBondContact O-N 2.88Å; D723-R725 VanDerWaalsContact O-N 3.15Å; D723-R725 PolarHBondContact OD1-N 2.88Å; D723-R725 IonicContact OD1-NE 2.63Å; D723-R725 IonicContact OD2-CZ 2.71Å; D723-R725 VanDerWaalsContact OD2-CZ 3.27Å; D723-R725 IonicContact OD2-NE 2.85Å; D723-R725 PolarHBondContact OD2-NE 3.46Å; D723-R725 IonicContact OD2-NH2 2.93Å; D723-R725 PolarHBondContact OD2-NH2 3.08Å; D723-N726 PolarHBondContact O-N 2.82Å
724T64.9Low82.1Confident11 Ų1159.2 Ų59.27%0.06733%0.329CS..THydrogen-bonded Turntrans-49.8-31.1168.965.80000113.1P642 Y721 N726 R730 Q755P642-T724 HydrophobicContact CB-CG2 4.1Å; P642-T724 HydrophobicContact CG-CG2 3.56Å; Y721-T724 WeakPolarHBondContact OH-CG2 3.44Å; T724-N726 VanDerWaalsContact C-N 3.28Å; T724-N726 PolarHBondContact O-N 3.38Å; T724-R730 PolarHBondContact O-NE 2.75Å; T724-R730 PolarHBondContact O-NH2 2.92Å; T724-Q755 VanDerWaalsContact C-NE2 3.29Å; T724-Q755 PolarHBondContact O-NE2 2.92Å; T724-Q755 PolarHBondContact OG1-NE2 3.18Å
725R67.7Low81.9Confident189 Ų18963.3 Ų63.371%0.71335%0.351SS*.THydrogen-bonded Turntrans-79.2-2.1-174.3-66.7177.7-65.7176.11.2115D723 E727D723-R725 PolarHBondContact O-N 2.88Å; D723-R725 VanDerWaalsContact O-N 3.15Å; D723-R725 PolarHBondContact OD1-N 2.88Å; D723-R725 IonicContact OD1-NE 2.63Å; D723-R725 IonicContact OD2-CZ 2.71Å; D723-R725 VanDerWaalsContact OD2-CZ 3.27Å; D723-R725 IonicContact OD2-NE 2.85Å; D723-R725 PolarHBondContact OD2-NE 3.46Å; D723-R725 IonicContact OD2-NH2 2.93Å; D723-R725 PolarHBondContact OD2-NH2 3.08Å; R725-E727 PolarHBondContact O-N 3.03Å
726N77.9Confident81.7Confident64 Ų6464.8 Ų64.834%0.34236%0.358SS..  trans-72.895.9179.4-171-17.6000111.6D723 T724 L728 W729 R730D723-N726 PolarHBondContact O-N 2.82Å; T724-N726 VanDerWaalsContact C-N 3.28Å; T724-N726 PolarHBondContact O-N 3.38Å; N726-L728 VanDerWaalsContact C-N 3.32Å; N726-L728 PolarHBondContact O-N 3.47Å; N726-L728 PolarHBondContact OD1-N 3.09Å; N726-W729 HydrophobicContact CB-CB 3.97Å; N726-W729 PolarHBondContact O-N 2.94Å; N726-W729 PolarHBondContact OD1-N 3.02Å; N726-W729 VanDerWaalsContact OD1-N 3.16Å; N726-R730 WeakPolarHBondContact O-CG 3.47Å; N726-R730 PolarHBondContact O-N 2.91Å; N726-R730 VanDerWaalsContact O-N 3.14Å
727E80.6Confident81.7Confident151 Ų15160.6 Ų60.671%0.70634%0.336SS*.Hα-helixtrans-62.8-35.3-178.6-172.1169.2-163.500113.1R725 R730 T731R725-E727 PolarHBondContact O-N 3.03Å; E727-R730 PolarHBondContact O-N 3.47Å; E727-T731 WeakPolarHBondContact O-CB 3.35Å; E727-T731 PolarHBondContact O-N 3.28Å; E727-T731 PolarHBondContact O-OG1 2.96Å
728L83.8Confident81.7Confident131 Ų13167.5 Ų67.569%0.68636%0.363SS*.Hα-helixtrans-64.4-45.9176.8179.364.4000111.2N726 R730 T731 T732N726-L728 VanDerWaalsContact C-N 3.32Å; N726-L728 PolarHBondContact O-N 3.47Å; N726-L728 PolarHBondContact OD1-N 3.09Å; L728-R730 VanDerWaalsContact C-N 3.33Å; L728-R730 PolarHBondContact O-N 2.97Å; L728-T731 PolarHBondContact O-N 3.44Å; L728-T732 WeakPolarHBondContact O-CB 3.24Å; L728-T732 PolarHBondContact O-N 3.26Å; L728-T732 PolarHBondContact O-OG1 3.12Å
729W85.2Confident81.6Confident31 Ų3174.1 Ų74.112%0.11739%0.393CS..Hα-helixtrans-59.9-45.6176.8-176.293000110.7A717 Y721 N726 T731 T732 C733 F749 L752A717-W729 PolarHBondContact O-NE1 3.45Å; Y721-W729 HydrophobicContact CD2-CD2 4.35Å; Y721-W729 AromaticContact CD2-CE2 3.98Å; Y721-W729 HydrophobicContact CD2-CE3 4.4Å; Y721-W729 AromaticContact CD2-CH2 3.84Å; Y721-W729 HydrophobicContact CD2-CH2 3.84Å; Y721-W729 AromaticContact CD2-CZ2 3.72Å; Y721-W729 HydrophobicContact CD2-CZ2 3.72Å; Y721-W729 HydrophobicContact CD2-CZ3 4.16Å; Y721-W729 HydrophobicContact CE2-CE3 4.43Å; Y721-W729 HydrophobicContact CE2-CH2 4.05Å; Y721-W729 HydrophobicContact CE2-CZ2 4.39Å; Y721-W729 HydrophobicContact CE2-CZ3 4.05Å; N726-W729 HydrophobicContact CB-CB 3.97Å; N726-W729 PolarHBondContact O-N 2.94Å; N726-W729 PolarHBondContact OD1-N 3.02Å; N726-W729 VanDerWaalsContact OD1-N 3.16Å; W729-T731 PolarHBondContact O-N 3.44Å; W729-T732 WeakPolarHBondContact O-CB 3.25Å; W729-T732 PolarHBondContact O-N 3.3Å; W729-C733 HydrophobicContact CH2-CB 4.46Å; W729-C733 WeakPolarHBondContact CZ2-SG 3.42Å; W729-C733 HydrophobicContact CZ3-CB 4.36Å; W729-C733 PolarHBondContact O-N 3.1Å; W729-C733 PolarHBondContact O-SG 3.31Å; W729-C733 VanDerWaalsContact O-SG 3.4Å; W729-F749 HydrophobicContact CH2-CD1 4.45Å; W729-F749 HydrophobicContact CZ2-CD1 4.45Å; W729-L752 HydrophobicContact CH2-CB 3.68Å; W729-L752 HydrophobicContact CH2-CD1 4.26Å; W729-L752 HydrophobicContact CZ3-CB 4.21Å
730R82.4Confident81.7Confident53 Ų5371.1 Ų71.120%0.237%0.367CS..Hα-helixtrans-59.9-47178-71.1168171.3-93.3-28.8113.2T724 N726 E727 L728 T732 C733 A734 S753 R754 Q755T724-R730 PolarHBondContact O-NE 2.75Å; T724-R730 PolarHBondContact O-NH2 2.92Å; N726-R730 WeakPolarHBondContact O-CG 3.47Å; N726-R730 PolarHBondContact O-N 2.91Å; N726-R730 VanDerWaalsContact O-N 3.14Å; E727-R730 PolarHBondContact O-N 3.47Å; L728-R730 VanDerWaalsContact C-N 3.33Å; L728-R730 PolarHBondContact O-N 2.97Å; R730-T732 PolarHBondContact O-N 2.65Å; R730-C733 PolarHBondContact O-N 3.46Å; R730-A734 VanDerWaalsContact O-CB 3.31Å; R730-A734 WeakPolarHBondContact O-CB 3.45Å; R730-A734 PolarHBondContact O-N 3.4Å; R730-S753 PolarHBondContact NH1-O 3.1Å; R730-S753 PolarHBondContact NH2-O 3.19Å; R730-R754 PolarHBondContact NH2-O 3.07Å; R730-Q755 VanDerWaalsContact CZ-CG 3.44Å; R730-Q755 VanDerWaalsContact CZ-NE2 3.26Å; R730-Q755 VanDerWaalsContact NH2-CD 3.29Å; R730-Q755 VanDerWaalsContact NH2-CG 3.3Å
731T85.2Confident81.9Confident79 Ų7977.5 Ų77.549%0.48539%0.386SS..Hα-helixtrans-62.2-39.2179.7-55.50000110.5E727 L728 W729 N735E727-T731 WeakPolarHBondContact O-CB 3.35Å; E727-T731 PolarHBondContact O-N 3.28Å; E727-T731 PolarHBondContact O-OG1 2.96Å; L728-T731 PolarHBondContact O-N 3.44Å; W729-T731 PolarHBondContact O-N 3.44Å; T731-N735 PolarHBondContact O-N 3.25Å; T731-N735 PolarHBondContact O-ND2 3.22Å
732T85.4Confident82.3Confident68 Ų6878.9 Ų78.942%0.41739%0.394SS..Hα-helixtrans-65.2-51.8175.6-52.50000111L728 W729 R730 A734 N735 L736L728-T732 WeakPolarHBondContact O-CB 3.24Å; L728-T732 PolarHBondContact O-N 3.26Å; L728-T732 PolarHBondContact O-OG1 3.12Å; W729-T732 WeakPolarHBondContact O-CB 3.25Å; W729-T732 PolarHBondContact O-N 3.3Å; R730-T732 PolarHBondContact O-N 2.65Å; T732-A734 VanDerWaalsContact C-N 3.32Å; T732-A734 PolarHBondContact O-N 2.98Å; T732-N735 WeakPolarHBondContact O-CB 3.36Å; T732-N735 PolarHBondContact O-N 3.05Å; T732-N735 VanDerWaalsContact O-N 3.1Å; T732-L736 HydrophobicContact CG2-CD1 4.46Å; T732-L736 WeakPolarHBondContact O-CG 3.33Å; T732-L736 PolarHBondContact O-N 2.91Å
733C84.7Confident83.2Confident2 Ų275.4 Ų75.41%0.01437%0.373CS..Hα-helixtrans-59.6-39.1177.4-71.10000112.7W729 R730 N735 L736 I737 F749W729-C733 HydrophobicContact CH2-CB 4.46Å; W729-C733 WeakPolarHBondContact CZ2-SG 3.42Å; W729-C733 HydrophobicContact CZ3-CB 4.36Å; W729-C733 PolarHBondContact O-N 3.1Å; W729-C733 PolarHBondContact O-SG 3.31Å; W729-C733 VanDerWaalsContact O-SG 3.4Å; R730-C733 PolarHBondContact O-N 3.46Å; C733-N735 PolarHBondContact O-N 3.35Å; C733-L736 PolarHBondContact O-N 2.91Å; C733-L736 VanDerWaalsContact O-N 3.11Å; C733-I737 VanDerWaalsContact O-CG1 3.27Å; C733-I737 WeakPolarHBondContact O-CG1 3.47Å; C733-I737 PolarHBondContact O-N 3.41Å; C733-F749 HydrophobicContact CB-CB 4.4Å; C733-F749 HydrophobicContact CB-CD1 4.41Å; C733-F749 HydrophobicContact CB-CD2 4.48Å; C733-F749 HydrophobicContact CB-CG 4.22Å
734A84.9Confident84.4Confident51 Ų5174.8 Ų74.842%0.42137%0.368SS..Hα-helixtrans-60.8-32.5176.600000112.9R730 T732R730-A734 VanDerWaalsContact O-CB 3.31Å; R730-A734 WeakPolarHBondContact O-CB 3.45Å; R730-A734 PolarHBondContact O-N 3.4Å; T732-A734 VanDerWaalsContact C-N 3.32Å; T732-A734 PolarHBondContact O-N 2.98Å
735N86.5Confident85.9Confident85 Ų8574.4 Ų74.446%0.45537%0.365SS..Hα-helixtrans-75.4-41.4172.7-70.8-32.7000111.6T731 T732 C733 I737 K738 H739T731-N735 PolarHBondContact O-N 3.25Å; T731-N735 PolarHBondContact O-ND2 3.22Å; T732-N735 WeakPolarHBondContact O-CB 3.36Å; T732-N735 PolarHBondContact O-N 3.05Å; T732-N735 VanDerWaalsContact O-N 3.1Å; C733-N735 PolarHBondContact O-N 3.35Å; N735-I737 PolarHBondContact O-N 2.94Å; N735-K738 WeakPolarHBondContact O-CB 3.36Å; N735-K738 PolarHBondContact O-N 3.01Å; N735-H739 PolarHBondContact O-CD2 3.45Å; N735-H739 VanDerWaalsContact O-CD2 3.3Å
736L86.8Confident87.1Confident39 Ų3968.8 Ų68.820%0.20434%0.344CS..Hα-helixtrans-63.9-37.9178.6-65.6-178000113.1L713 T732 C733 K738 H739 L740 F749L713-L736 HydrophobicContact CD1-CD1 4.29Å; L713-L736 HydrophobicContact CD2-CD1 4.07Å; L713-L736 HydrophobicContact CD2-CD2 3.82Å; L713-L736 HydrophobicContact CD2-CG 4.43Å; L713-L736 HydrophobicContact CG-CD1 4.17Å; T732-L736 HydrophobicContact CG2-CD1 4.46Å; T732-L736 WeakPolarHBondContact O-CG 3.33Å; T732-L736 PolarHBondContact O-N 2.91Å; C733-L736 PolarHBondContact O-N 2.91Å; C733-L736 VanDerWaalsContact O-N 3.11Å; L736-K738 PolarHBondContact O-N 3.36Å; L736-H739 PolarHBondContact O-N 3.35Å; L736-L740 PolarHBondContact O-N 3.11Å; L736-F749 HydrophobicContact CB-CD2 4.43Å; L736-F749 HydrophobicContact CB-CE2 3.86Å; L736-F749 HydrophobicContact CD1-CE2 4.17Å; L736-F749 HydrophobicContact CD1-CZ 4.27Å
737I87.4Confident87.8Confident36 Ų3666 Ų6619%0.18533%0.329CS..THydrogen-bonded Turntrans-52.3-33.6177.5-73.3165.3000112C733 N735 H739 R746 F749 V750C733-I737 VanDerWaalsContact O-CG1 3.27Å; C733-I737 WeakPolarHBondContact O-CG1 3.47Å; C733-I737 PolarHBondContact O-N 3.41Å; N735-I737 PolarHBondContact O-N 2.94Å; I737-H739 PolarHBondContact O-N 3.07Å; I737-R746 HydrophobicContact CG2-CB 4.39Å; I737-R746 HydrophobicContact CG2-CG 4.16Å; I737-R746 WeakPolarHBondContact O-CD 3.34Å; I737-F749 HydrophobicContact CD1-CB 3.74Å; I737-F749 HydrophobicContact CG1-CB 3.66Å; I737-F749 HydrophobicContact CG1-CD2 3.88Å; I737-F749 HydrophobicContact CG1-CG 4.28Å; I737-V750 HydrophobicContact CD1-CG2 3.86Å
738K86.5Confident88.4Confident163 Ų16358.9 Ų58.971%0.70930%0.296SS*.THydrogen-bonded Turntrans-70-20.5-179.5-60.9175.1-176.31690113.3N735 L736N735-K738 WeakPolarHBondContact O-CB 3.36Å; N735-K738 PolarHBondContact O-N 3.01Å; L736-K738 PolarHBondContact O-N 3.36Å
739H86.8Confident88.7Confident138 Ų13852.6 Ų52.664%0.63926%0.263SS*.THydrogen-bonded Turntrans-96.9-25.3-178.5-63.8-67.7000112.7N735 L736 I737 Q741N735-H739 PolarHBondContact O-CD2 3.45Å; N735-H739 VanDerWaalsContact O-CD2 3.3Å; L736-H739 PolarHBondContact O-N 3.35Å; I737-H739 PolarHBondContact O-N 3.07Å; H739-Q741 PolarHBondContact O-N 3.33Å
740L88.9Confident88.9Confident7 Ų752.4 Ų52.44%0.03727%0.265CS..  trans-71.6119.3-178.8-65.1176.1000111.6D710 V714 L736 L745 R746 F749D710-L740 HydrophobicContact CB-CD2 3.75Å; V714-L740 HydrophobicContact CG2-CD1 3.94Å; V714-L740 HydrophobicContact CG2-CD2 4Å; L736-L740 PolarHBondContact O-N 3.11Å; L740-L745 HydrophobicContact CD1-CB 4.05Å; L740-L745 HydrophobicContact CD2-CD1 4.4Å; L740-R746 HydrophobicContact CB-CG 3.68Å; L740-R746 HydrophobicContact CD1-CG 4.36Å; L740-R746 VanDerWaalsContact O-CD 3.28Å; L740-R746 WeakPolarHBondContact O-CD 3.37Å; L740-F749 HydrophobicContact CD1-CD2 3.62Å; L740-F749 HydrophobicContact CD1-CE2 3.63Å
741Q87.2Confident89.3Confident177 Ų17750 Ų5083%0.82726%0.256SS*.  trans-78.8-38.3177.6-62-175.69.600112.2H739H739-Q741 PolarHBondContact O-N 3.33Å
742N91.8Very high89.4Confident40 Ų4046.4 Ų46.421%0.21423%0.234CC..SBendtrans-71.7123.6-177-171.9-45.5000110.9E683 Y744 L745 R746E683-N742 PolarHBondContact OE1-ND2 3.19Å; N742-Y744 VanDerWaalsContact C-N 3.31Å; N742-Y744 PolarHBondContact O-N 2.88Å; N742-Y744 WeakPolarHBondContact OD1-CB 3.28Å; N742-Y744 PolarHBondContact OD1-N 3.49Å; N742-L745 HydrophobicContact CB-CB 4.34Å; N742-L745 HydrophobicContact CB-CD1 3.97Å; N742-L745 HydrophobicContact CB-CG 3.96Å; N742-L745 PolarHBondContact O-N 3.33Å; N742-R746 PolarHBondContact O-N 2.93Å
743P94Very high89.3Confident25 Ų2544.6 Ų44.616%0.16222%0.224CC..Hα-helixtrans-63.5-32.4-17827.1-35.7000113.2R746 V747 A767 L768P743-R746 PolarHBondContact O-N 3Å; P743-V747 VanDerWaalsContact O-CG2 3.28Å; P743-V747 WeakPolarHBondContact O-CG2 3.41Å; P743-V747 PolarHBondContact O-N 2.74Å; P743-A767 HydrophobicContact CB-CB 3.97Å; P743-A767 HydrophobicContact CG-CB 4.12Å; P743-L768 HydrophobicContact CB-CD2 3.8Å; P743-L768 HydrophobicContact CB-CG 4.48Å; P743-L768 HydrophobicContact CG-CD2 4.28Å
744Y95.1Very high89.1Confident31 Ų3146.7 Ų46.712%0.12223%0.232CC..Hα-helixtrans-70-38.1-179.9-69.3-77.3000112.2R684 A687 N742 R746 V747 M748 L768 D772R684-Y744 HydrophobicContact CB-CD1 4.17Å; R684-Y744 HydrophobicContact CB-CD2 3.97Å; R684-Y744 HydrophobicContact CB-CE1 4.19Å; R684-Y744 HydrophobicContact CB-CE2 3.99Å; R684-Y744 HydrophobicContact CB-CG 4.06Å; R684-Y744 HydrophobicContact CG-CD1 4.06Å; R684-Y744 HydrophobicContact CG-CD2 4.42Å; R684-Y744 HydrophobicContact CG-CE1 3.66Å; R684-Y744 HydrophobicContact CG-CE2 4.05Å; R684-Y744 HydrophobicContact CG-CG 4.43Å; A687-Y744 HydrophobicContact CB-CD1 3.91Å; A687-Y744 HydrophobicContact CB-CG 4.37Å; N742-Y744 VanDerWaalsContact C-N 3.31Å; N742-Y744 PolarHBondContact O-N 2.88Å; N742-Y744 WeakPolarHBondContact OD1-CB 3.28Å; N742-Y744 PolarHBondContact OD1-N 3.49Å; Y744-R746 VanDerWaalsContact C-N 3.35Å; Y744-V747 WeakPolarHBondContact O-CB 3.18Å; Y744-V747 PolarHBondContact O-N 2.87Å; Y744-M748 WeakPolarHBondContact O-CG 3.42Å; Y744-M748 PolarHBondContact O-N 3.08Å; Y744-M748 VanDerWaalsContact O-N 3.09Å; Y744-L768 HydrophobicContact CD1-CD2 3.85Å; Y744-L768 HydrophobicContact CD2-CD2 4.42Å; Y744-L768 HydrophobicContact CE1-CD2 3.66Å; Y744-L768 HydrophobicContact CE2-CD2 4.27Å; Y744-L768 HydrophobicContact CG-CD2 4.22Å; Y744-D772 WeakPolarHBondContact CE1-OD2 3.11Å; Y744-D772 PolarHBondContact OH-OD2 2.86Å
745L94.5Very high88.5Confident2 Ų248.3 Ų48.31%0.0123%0.231CC..Hα-helixtrans-63.1-42.1173.2-62.7-176.5000111.3E683 L702 D710 I711 V714 L740 N742 V747 M748 F749E683-L745 HydrophobicContact CB-CD2 3.96Å; E683-L745 HydrophobicContact CB-CG 4.24Å; E683-L745 HydrophobicContact CG-CD1 4.46Å; E683-L745 HydrophobicContact CG-CD2 3.94Å; E683-L745 HydrophobicContact CG-CG 4.17Å; L702-L745 HydrophobicContact CD2-CD2 3.94Å; D710-L745 HydrophobicContact CB-CD1 4.16Å; I711-L745 HydrophobicContact CG1-CD1 4.12Å; V714-L745 HydrophobicContact CB-CD2 4.36Å; V714-L745 HydrophobicContact CG1-CD2 4.21Å; V714-L745 HydrophobicContact CG2-CB 4.19Å; V714-L745 HydrophobicContact CG2-CD1 4.44Å; V714-L745 HydrophobicContact CG2-CD2 4.32Å; L740-L745 HydrophobicContact CD1-CB 4.05Å; L740-L745 HydrophobicContact CD2-CD1 4.4Å; N742-L745 HydrophobicContact CB-CB 4.34Å; N742-L745 HydrophobicContact CB-CD1 3.97Å; N742-L745 HydrophobicContact CB-CG 3.96Å; N742-L745 PolarHBondContact O-N 3.33Å; L745-V747 VanDerWaalsContact C-N 3.35Å; L745-V747 PolarHBondContact O-N 2.75Å; L745-M748 HydrophobicContact CD2-SD 4.26Å; L745-M748 PolarHBondContact O-N 3.02Å; L745-F749 PolarHBondContact O-N 3.24Å
746R93.7Very high87.9Confident71 Ų7145.7 Ų45.727%0.26822%0.223SC..Hα-helixtrans-59.7-45173.2-69.1-171.4-68.6124.79.7111.4I737 L740 N742 P743 Y744 M748 F749 V750 D765I737-R746 HydrophobicContact CG2-CB 4.39Å; I737-R746 HydrophobicContact CG2-CG 4.16Å; I737-R746 WeakPolarHBondContact O-CD 3.34Å; L740-R746 HydrophobicContact CB-CG 3.68Å; L740-R746 HydrophobicContact CD1-CG 4.36Å; L740-R746 VanDerWaalsContact O-CD 3.28Å; L740-R746 WeakPolarHBondContact O-CD 3.37Å; N742-R746 PolarHBondContact O-N 2.93Å; P743-R746 PolarHBondContact O-N 3Å; Y744-R746 VanDerWaalsContact C-N 3.35Å; R746-M748 VanDerWaalsContact C-N 3.28Å; R746-M748 PolarHBondContact O-N 2.98Å; R746-F749 PolarHBondContact O-N 3.5Å; R746-V750 VanDerWaalsContact O-CG2 3.3Å; R746-V750 WeakPolarHBondContact O-CG2 3.16Å; R746-V750 PolarHBondContact O-N 3.44Å; R746-D765 IonicContact CZ-OD2 2.85Å; R746-D765 IonicContact NH1-OD2 3.74Å; R746-D765 PolarHBondContact NH1-OD2 3.28Å; R746-D765 IonicContact NH2-OD2 3.81Å; R746-D765 PolarHBondContact NH2-OD2 3.04Å
747V93.4Very high87.1Confident6 Ų646.3 Ų46.34%0.03624%0.239CC..Hα-helixtrans-58.1-39.2178.1167.30000112I691 P743 Y744 L745 F749 V750 F751 I762 L768I691-V747 HydrophobicContact CD1-CG1 3.92Å; P743-V747 VanDerWaalsContact O-CG2 3.28Å; P743-V747 WeakPolarHBondContact O-CG2 3.41Å; P743-V747 PolarHBondContact O-N 2.74Å; Y744-V747 WeakPolarHBondContact O-CB 3.18Å; Y744-V747 PolarHBondContact O-N 2.87Å; L745-V747 VanDerWaalsContact C-N 3.35Å; L745-V747 PolarHBondContact O-N 2.75Å; V747-F749 PolarHBondContact O-N 3.08Å; V747-V750 PolarHBondContact O-N 3.23Å; V747-F751 VanDerWaalsContact O-CB 3.26Å; V747-F751 WeakPolarHBondContact O-CB 3.34Å; V747-F751 PolarHBondContact O-N 3.32Å; V747-I762 HydrophobicContact CG1-CD1 4.23Å; V747-I762 HydrophobicContact CG1-CG1 4.41Å; V747-I762 HydrophobicContact CG1-CG2 4.16Å; V747-I762 HydrophobicContact CG2-CG2 4.23Å; V747-L768 HydrophobicContact CG2-CD1 3.53Å; V747-L768 HydrophobicContact CG2-CD2 3.9Å; V747-L768 HydrophobicContact CG2-CG 4.27Å
748M92.6Very high86.9Confident1 Ų148.7 Ų48.71%0.00525%0.253CS..Hα-helixtrans-59.5-47.3178.7-66.3175.39000111.9A686 A687 L690 A698 L702 V714 L718 Y744 L745 R746 F751 L752A686-M748 HydrophobicContact CB-CE 3.84Å; A686-M748 HydrophobicContact CB-SD 4.18Å; A687-M748 HydrophobicContact CB-CG 3.82Å; A687-M748 HydrophobicContact CB-SD 4.34Å; L690-M748 HydrophobicContact CB-CE 4.19Å; L690-M748 HydrophobicContact CD2-CB 3.63Å; L690-M748 HydrophobicContact CD2-CE 3.96Å; L690-M748 HydrophobicContact CD2-CG 3.76Å; A698-M748 HydrophobicContact CB-CE 4.18Å; L702-M748 HydrophobicContact CD1-CE 4.03Å; L702-M748 HydrophobicContact CD1-SD 4.49Å; L702-M748 HydrophobicContact CD2-SD 4.49Å; V714-M748 HydrophobicContact CG1-SD 4.17Å; L718-M748 HydrophobicContact CD1-CE 3.35Å; L718-M748 HydrophobicContact CD1-SD 4.42Å; Y744-M748 WeakPolarHBondContact O-CG 3.42Å; Y744-M748 PolarHBondContact O-N 3.08Å; Y744-M748 VanDerWaalsContact O-N 3.09Å; L745-M748 HydrophobicContact CD2-SD 4.26Å; L745-M748 PolarHBondContact O-N 3.02Å; R746-M748 VanDerWaalsContact C-N 3.28Å; R746-M748 PolarHBondContact O-N 2.98Å; M748-F751 PolarHBondContact O-N 3.37Å; M748-L752 WeakPolarHBondContact O-CG 3.22Å; M748-L752 PolarHBondContact O-N 3.07Å; M748-L752 VanDerWaalsContact O-N 3.14Å
749F89.9Confident87Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-67.4-42.2175.5-73.2-24.7000112.8V714 A717 W729 C733 L736 I737 L740 L745 R746 V747 F751 L752 S753V714-F749 HydrophobicContact CB-CZ 4.26Å; V714-F749 HydrophobicContact CG1-CE1 4.3Å; V714-F749 HydrophobicContact CG1-CZ 4.38Å; V714-F749 HydrophobicContact CG2-CE1 4.44Å; V714-F749 HydrophobicContact CG2-CE2 3.9Å; V714-F749 HydrophobicContact CG2-CZ 3.75Å; A717-F749 HydrophobicContact CB-CE1 3.53Å; A717-F749 HydrophobicContact CB-CZ 3.64Å; W729-F749 HydrophobicContact CH2-CD1 4.45Å; W729-F749 HydrophobicContact CZ2-CD1 4.45Å; C733-F749 HydrophobicContact CB-CB 4.4Å; C733-F749 HydrophobicContact CB-CD1 4.41Å; C733-F749 HydrophobicContact CB-CD2 4.48Å; C733-F749 HydrophobicContact CB-CG 4.22Å; L736-F749 HydrophobicContact CB-CD2 4.43Å; L736-F749 HydrophobicContact CB-CE2 3.86Å; L736-F749 HydrophobicContact CD1-CE2 4.17Å; L736-F749 HydrophobicContact CD1-CZ 4.27Å; I737-F749 HydrophobicContact CD1-CB 3.74Å; I737-F749 HydrophobicContact CG1-CB 3.66Å; I737-F749 HydrophobicContact CG1-CD2 3.88Å; I737-F749 HydrophobicContact CG1-CG 4.28Å; L740-F749 HydrophobicContact CD1-CD2 3.62Å; L740-F749 HydrophobicContact CD1-CE2 3.63Å; L745-F749 PolarHBondContact O-N 3.24Å; R746-F749 PolarHBondContact O-N 3.5Å; V747-F749 PolarHBondContact O-N 3.08Å; F749-F751 VanDerWaalsContact C-N 3.32Å; F749-F751 PolarHBondContact O-N 3.42Å; F749-L752 PolarHBondContact O-N 2.94Å; F749-S753 VanDerWaalsContact O-CB 3.23Å; F749-S753 WeakPolarHBondContact O-CB 3.23Å; F749-S753 PolarHBondContact O-N 2.89Å; F749-S753 PolarHBondContact O-OG 3.4Å
750V89.7Confident87.1Confident27 Ų2738.8 Ų38.816%0.16421%0.209CC..Hα-helixtrans-59.4-45.1176.9172.60000110.4I737 R746 V747 S753 R754 S761 I762I737-V750 HydrophobicContact CD1-CG2 3.86Å; R746-V750 VanDerWaalsContact O-CG2 3.3Å; R746-V750 WeakPolarHBondContact O-CG2 3.16Å; R746-V750 PolarHBondContact O-N 3.44Å; V747-V750 PolarHBondContact O-N 3.23Å; V750-S753 PolarHBondContact O-N 3.5Å; V750-S753 PolarHBondContact O-OG 3.06Å; V750-R754 WeakPolarHBondContact O-CG 3.28Å; V750-R754 PolarHBondContact O-N 3.19Å; V750-S761 VanDerWaalsContact CG1-OG 3.24Å; V750-S761 WeakPolarHBondContact CG1-OG 3.42Å; V750-I762 HydrophobicContact CB-CG1 4.38Å; V750-I762 HydrophobicContact CG1-CD1 3.97Å; V750-I762 HydrophobicContact CG1-CG1 3.69Å
751F90.7Very high87Confident2 Ų241.6 Ų41.61%0.00923%0.229CC..Hα-helixtrans-62.6-48.9-179.4-173.1-103.8000112.2W634 L641 F643 I691 L693 V747 M748 F749 S753 R754 F759 I762 Y780W634-F751 HydrophobicContact CH2-CD1 4.09Å; W634-F751 AromaticContact CH2-CE1 3.6Å; W634-F751 HydrophobicContact CH2-CE1 3.6Å; W634-F751 HydrophobicContact CZ2-CE1 4Å; L641-F751 HydrophobicContact CD1-CZ 4.46Å; F643-F751 AromaticContact CE2-CE2 3.88Å; F643-F751 HydrophobicContact CE2-CE2 3.88Å; F643-F751 AromaticContact CE2-CZ 3.87Å; F643-F751 HydrophobicContact CE2-CZ 3.87Å; F643-F751 HydrophobicContact CZ-CD2 4.28Å; F643-F751 HydrophobicContact CZ-CE1 4.27Å; F643-F751 AromaticContact CZ-CE2 3.68Å; F643-F751 HydrophobicContact CZ-CE2 3.68Å; F643-F751 AromaticContact CZ-CZ 3.67Å; F643-F751 HydrophobicContact CZ-CZ 3.67Å; I691-F751 HydrophobicContact CG1-CD2 4.43Å; L693-F751 HydrophobicContact CD2-CE1 4.39Å; L693-F751 HydrophobicContact CD2-CZ 4.48Å; V747-F751 VanDerWaalsContact O-CB 3.26Å; V747-F751 WeakPolarHBondContact O-CB 3.34Å; V747-F751 PolarHBondContact O-N 3.32Å; M748-F751 PolarHBondContact O-N 3.37Å; F749-F751 VanDerWaalsContact C-N 3.32Å; F749-F751 PolarHBondContact O-N 3.42Å; F751-S753 PolarHBondContact O-N 3.36Å; F751-R754 WeakPolarHBondContact O-CB 3.45Å; F751-R754 PolarHBondContact O-N 2.94Å; F751-F759 HydrophobicContact CD2-CE1 4.31Å; F751-F759 HydrophobicContact CE2-CE1 4.14Å; F751-I762 HydrophobicContact CB-CD1 4.26Å; F751-I762 HydrophobicContact CD2-CD1 4.31Å; F751-Y780 HydrophobicContact CE2-CD2 4.08Å; F751-Y780 HydrophobicContact CE2-CE1 4.45Å; F751-Y780 AromaticContact CE2-CE2 3.67Å; F751-Y780 HydrophobicContact CE2-CE2 3.67Å; F751-Y780 AromaticContact CE2-CZ 3.88Å; F751-Y780 HydrophobicContact CZ-CE1 4.25Å; F751-Y780 AromaticContact CZ-CE2 3.86Å; F751-Y780 HydrophobicContact CZ-CE2 3.86Å; F751-Y780 AromaticContact CZ-CZ 3.62Å
752L87Confident87.2Confident3 Ų333.3 Ų33.32%0.01619%0.19CC..Hα-helixtrans-72.7-26.5-178.8-70.9175.7000114.4W634 L690 F695 L718 Y721 W729 M748 F749 R754W634-L752 HydrophobicContact CH2-CD2 3.56Å; W634-L752 HydrophobicContact CZ2-CD2 3.88Å; W634-L752 HydrophobicContact CZ3-CD2 4.38Å; L690-L752 HydrophobicContact CD1-CD1 4.3Å; L690-L752 HydrophobicContact CD1-CD2 4.34Å; L690-L752 HydrophobicContact CD2-CD1 4.01Å; L690-L752 HydrophobicContact CD2-CG 4.01Å; F695-L752 HydrophobicContact CE2-CD1 4.48Å; L718-L752 HydrophobicContact CD2-CD1 3.15Å; Y721-L752 HydrophobicContact CD1-CD2 4.36Å; Y721-L752 HydrophobicContact CD2-CB 4.39Å; Y721-L752 HydrophobicContact CD2-CD1 4.31Å; Y721-L752 HydrophobicContact CE1-CD2 3.95Å; Y721-L752 HydrophobicContact CE2-CB 3.88Å; Y721-L752 HydrophobicContact CE2-CD2 4.2Å; Y721-L752 HydrophobicContact CE2-CG 4.43Å; Y721-L752 HydrophobicContact CG-CD1 4.46Å; Y721-L752 PolarHBondContact OH-O 3.2Å; W729-L752 HydrophobicContact CH2-CB 3.68Å; W729-L752 HydrophobicContact CH2-CD1 4.26Å; W729-L752 HydrophobicContact CZ3-CB 4.21Å; M748-L752 WeakPolarHBondContact O-CG 3.22Å; M748-L752 PolarHBondContact O-N 3.07Å; M748-L752 VanDerWaalsContact O-N 3.14Å; F749-L752 PolarHBondContact O-N 2.94Å; L752-R754 VanDerWaalsContact C-N 3.31Å
753S83.1Confident87.3Confident31 Ų3131.4 Ų31.422%0.21718%0.18CC..THydrogen-bonded Turntrans-85.41.2175.463.90000113.2R730 F749 V750 F751R730-S753 PolarHBondContact NH1-O 3.1Å; R730-S753 PolarHBondContact NH2-O 3.19Å; F749-S753 VanDerWaalsContact O-CB 3.23Å; F749-S753 WeakPolarHBondContact O-CB 3.23Å; F749-S753 PolarHBondContact O-N 2.89Å; F749-S753 PolarHBondContact O-OG 3.4Å; V750-S753 PolarHBondContact O-N 3.5Å; V750-S753 PolarHBondContact O-OG 3.06Å; F751-S753 PolarHBondContact O-N 3.36Å
754R80.9Confident87.1Confident46 Ų4634.6 Ų34.617%0.17420%0.196CC..  trans-71152.6173-68.7-137.356.884.23.1112F643 R730 V750 F751 L752 G756 D758F643-R754 HydrophobicContact CD1-CB 4.36Å; F643-R754 HydrophobicContact CE1-CB 3.9Å; R730-R754 PolarHBondContact NH2-O 3.07Å; V750-R754 WeakPolarHBondContact O-CG 3.28Å; V750-R754 PolarHBondContact O-N 3.19Å; F751-R754 WeakPolarHBondContact O-CB 3.45Å; F751-R754 PolarHBondContact O-N 2.94Å; L752-R754 VanDerWaalsContact C-N 3.31Å; R754-G756 PolarHBondContact NE-O 2.94Å; R754-G756 PolarHBondContact NH2-O 3.42Å; R754-D758 PolarHBondContact NE-O 2.65Å; R754-D758 PolarHBondContact NH1-O 2.86Å; R754-D758 PolarHBondContact NH2-O 2.86Å
755Q72.9Confident86.9Confident85 Ų8534.7 Ų34.740%0.39720%0.199SC..  trans-123.3-9.6169.9-72.9-69.2-4.300112.7T724 R730T724-Q755 VanDerWaalsContact C-NE2 3.29Å; T724-Q755 PolarHBondContact O-NE2 2.92Å; T724-Q755 PolarHBondContact OG1-NE2 3.18Å; R730-Q755 VanDerWaalsContact CZ-CG 3.44Å; R730-Q755 VanDerWaalsContact CZ-NE2 3.26Å; R730-Q755 VanDerWaalsContact NH2-CD 3.29Å; R730-Q755 VanDerWaalsContact NH2-CG 3.3Å
756G73.1Confident86.5Confident29 Ų2938.2 Ų38.230%0.29922%0.217SC..SBendtrans-156.5-178.1-17400000112.8R754 D758R754-G756 PolarHBondContact NE-O 2.94Å; R754-G756 PolarHBondContact NH2-O 3.42Å; G756-D758 VanDerWaalsContact C-N 3.33Å; G756-D758 PolarHBondContact O-N 2.82Å
757G71Confident86.3Confident52 Ų5237.2 Ų37.254%0.53622%0.224SC..SBendtrans-78.19.8-164.200000118.6F759G757-F759 WeakPolarHBondContact O-CD2 3.23Å; G757-F759 PolarHBondContact O-N 2.82Å
758D81.4Confident86.2Confident87 Ų8737.3 Ų37.347%0.46523%0.225SC..  trans-83.996.5178.3165.231.8000112.5R754 G756 Q760R754-D758 PolarHBondContact NE-O 2.65Å; R754-D758 PolarHBondContact NH1-O 2.86Å; R754-D758 PolarHBondContact NH2-O 2.86Å; G756-D758 VanDerWaalsContact C-N 3.33Å; G756-D758 PolarHBondContact O-N 2.82Å; D758-Q760 VanDerWaalsContact OD1-CB 3.26Å; D758-Q760 WeakPolarHBondContact OD1-CB 3.48Å; D758-Q760 WeakPolarHBondContact OD1-CG 3.47Å; D758-Q760 PolarHBondContact OD1-N 3.33Å; D758-Q760 VanDerWaalsContact OD1-N 3.11Å
759F90.2Very high86.2Confident2 Ų238.7 Ų38.71%0.00923%0.234CC..  trans-9211.2-179.5-65.6-86.4000114.3F643 F751 G757 S761 I762 L763 Y780 L781F643-F759 AromaticContact CD2-CZ 3.74Å; F643-F759 HydrophobicContact CD2-CZ 3.74Å; F643-F759 HydrophobicContact CE2-CE1 4.14Å; F643-F759 AromaticContact CE2-CZ 3.76Å; F643-F759 HydrophobicContact CE2-CZ 3.76Å; F643-F759 HydrophobicContact CG-CZ 4.18Å; F643-F759 HydrophobicContact CZ-CE1 4.33Å; F643-F759 HydrophobicContact CZ-CZ 4.27Å; F751-F759 HydrophobicContact CD2-CE1 4.31Å; F751-F759 HydrophobicContact CE2-CE1 4.14Å; G757-F759 WeakPolarHBondContact O-CD2 3.23Å; G757-F759 PolarHBondContact O-N 2.82Å; F759-S761 VanDerWaalsContact C-N 3.26Å; F759-S761 PolarHBondContact O-N 3.35Å; F759-S761 VanDerWaalsContact O-N 3.14Å; F759-I762 HydrophobicContact CD1-CD1 4.44Å; F759-I762 PolarHBondContact O-N 2.93Å; F759-L763 HydrophobicContact CB-CD1 3.77Å; F759-L763 HydrophobicContact CB-CG 3.92Å; F759-L763 WeakPolarHBondContact O-CG 3.43Å; F759-L763 PolarHBondContact O-N 3.06Å; F759-Y780 HydrophobicContact CE1-CD2 4.49Å; F759-Y780 HydrophobicContact CE1-CG 4.17Å; F759-Y780 HydrophobicContact CE2-CG 4.42Å; F759-Y780 VanDerWaalsContact CZ-CB 3.5Å; F759-Y780 HydrophobicContact CZ-CD1 4.28Å; F759-Y780 AromaticContact CZ-CG 3.92Å; F759-Y780 HydrophobicContact CZ-CG 3.92Å; F759-L781 HydrophobicContact CB-CD2 4.41Å; F759-L781 HydrophobicContact CD2-CD2 3.96Å
760Q89.1Confident86.4Confident90 Ų9038.7 Ų38.742%0.42123%0.234SC..Hα-helixtrans-58.1-34.8-170.7-65.8-65.7-33.200113.3D758 I762 L763 N764D758-Q760 VanDerWaalsContact OD1-CB 3.26Å; D758-Q760 WeakPolarHBondContact OD1-CB 3.48Å; D758-Q760 WeakPolarHBondContact OD1-CG 3.47Å; D758-Q760 PolarHBondContact OD1-N 3.33Å; D758-Q760 VanDerWaalsContact OD1-N 3.11Å; Q760-I762 VanDerWaalsContact C-N 3.27Å; Q760-I762 PolarHBondContact O-N 3.2Å; Q760-L763 PolarHBondContact O-N 2.76Å; Q760-N764 VanDerWaalsContact O-CB 3.23Å; Q760-N764 WeakPolarHBondContact O-CB 3.35Å; Q760-N764 PolarHBondContact O-N 2.96Å; Q760-N764 PolarHBondContact O-ND2 2.85Å; Q760-N764 PolarHBondContact OE1-ND2 3.2Å; Q760-N764 PolarHBondContact OE1-OD1 2.79Å
761S86.2Confident86.6Confident66 Ų6638.3 Ų38.346%0.46223%0.231SC..Hα-helixtrans-65.3-26.7177.959.20000114.2V750 F759V750-S761 VanDerWaalsContact CG1-OG 3.24Å; V750-S761 WeakPolarHBondContact CG1-OG 3.42Å; F759-S761 VanDerWaalsContact C-N 3.26Å; F759-S761 PolarHBondContact O-N 3.35Å; F759-S761 VanDerWaalsContact O-N 3.14Å
762I91.7Very high86.7Confident3 Ų338.6 Ų38.62%0.01523%0.233CC..Hα-helixtrans-90.3-44.8175.6-61.1173.5000109.3V747 V750 F751 F759 Q760 N764 D765 L768V747-I762 HydrophobicContact CG1-CD1 4.23Å; V747-I762 HydrophobicContact CG1-CG1 4.41Å; V747-I762 HydrophobicContact CG1-CG2 4.16Å; V747-I762 HydrophobicContact CG2-CG2 4.23Å; V750-I762 HydrophobicContact CB-CG1 4.38Å; V750-I762 HydrophobicContact CG1-CD1 3.97Å; V750-I762 HydrophobicContact CG1-CG1 3.69Å; F751-I762 HydrophobicContact CB-CD1 4.26Å; F751-I762 HydrophobicContact CD2-CD1 4.31Å; F759-I762 HydrophobicContact CD1-CD1 4.44Å; F759-I762 PolarHBondContact O-N 2.93Å; Q760-I762 VanDerWaalsContact C-N 3.27Å; Q760-I762 PolarHBondContact O-N 3.2Å; I762-N764 PolarHBondContact O-N 3.13Å; I762-D765 PolarHBondContact O-N 3.35Å; I762-L768 HydrophobicContact CG2-CD1 4.05Å; I762-L768 WeakPolarHBondContact O-CD1 3.39Å
763L93.5Very high87.1Confident0 Ų039 Ų390%023%0.234CC..Hα-helixtrans-72.5-27.4-173.2-63.5-178.5000113.8F759 Q760 R773 C776 A777 L781 F789F759-L763 HydrophobicContact CB-CD1 3.77Å; F759-L763 HydrophobicContact CB-CG 3.92Å; F759-L763 WeakPolarHBondContact O-CG 3.43Å; F759-L763 PolarHBondContact O-N 3.06Å; Q760-L763 PolarHBondContact O-N 2.76Å; L763-R773 VanDerWaalsContact CD2-O 3.26Å; L763-R773 WeakPolarHBondContact CD2-O 3.38Å; L763-R773 VanDerWaalsContact O-CD 3.25Å; L763-R773 WeakPolarHBondContact O-CD 3.49Å; L763-R773 PolarHBondContact O-NH1 3.4Å; L763-C776 HydrophobicContact CD2-CB 4.42Å; L763-A777 HydrophobicContact CD1-CB 4.24Å; L763-A777 HydrophobicContact CD2-CB 3.84Å; L763-L781 HydrophobicContact CD1-CD1 3.62Å; L763-L781 HydrophobicContact CD1-CD2 4.16Å; L763-L781 HydrophobicContact CD1-CG 4.06Å; L763-F789 HydrophobicContact CB-CD2 4.12Å; L763-F789 HydrophobicContact CB-CE2 3.66Å; L763-F789 HydrophobicContact CB-CZ 4.11Å; L763-F789 HydrophobicContact CD1-CD2 4.25Å; L763-F789 HydrophobicContact CD1-CE2 4.42Å; L763-F789 HydrophobicContact CD1-CG 4.36Å; L763-F789 HydrophobicContact CD2-CE1 4.38Å; L763-F789 HydrophobicContact CD2-CZ 4.14Å; L763-F789 HydrophobicContact CG-CE2 4.41Å
764N90.1Very high87.7Confident92 Ų9237.5 Ų37.549%0.49222%0.224SC..THydrogen-bonded Turntrans-95.32177.9-60.8-25.8000113.4Q760 I762 D766Q760-N764 VanDerWaalsContact O-CB 3.23Å; Q760-N764 WeakPolarHBondContact O-CB 3.35Å; Q760-N764 PolarHBondContact O-N 2.96Å; Q760-N764 PolarHBondContact O-ND2 2.85Å; Q760-N764 PolarHBondContact OE1-ND2 3.2Å; Q760-N764 PolarHBondContact OE1-OD1 2.79Å; I762-N764 PolarHBondContact O-N 3.13Å; N764-D766 PolarHBondContact O-N 3.44Å; N764-D766 VanDerWaalsContact O-N 3.14Å
765D90.3Very high88.4Confident33 Ų3335.3 Ų35.318%0.17622%0.215CC..  trans-77.998.5174.8-166-18.4000109.8R746 I762 A767 L768 R773R746-D765 IonicContact CZ-OD2 2.85Å; R746-D765 IonicContact NH1-OD2 3.74Å; R746-D765 PolarHBondContact NH1-OD2 3.28Å; R746-D765 IonicContact NH2-OD2 3.81Å; R746-D765 PolarHBondContact NH2-OD2 3.04Å; I762-D765 PolarHBondContact O-N 3.35Å; D765-A767 PolarHBondContact O-N 2.9Å; D765-A767 VanDerWaalsContact O-N 3.16Å; D765-A767 WeakPolarHBondContact OD1-CB 3.27Å; D765-A767 PolarHBondContact OD1-N 3.42Å; D765-L768 HydrophobicContact CB-CD1 4.09Å; D765-L768 HydrophobicContact CB-CG 4.24Å; D765-L768 PolarHBondContact O-N 3.01Å; D765-L768 VanDerWaalsContact O-N 3.12Å; D765-R773 WeakPolarHBondContact O-CD 3.46Å
766D86.5Confident89.4Confident76 Ų7631.3 Ų31.341%0.40620%0.197SC..THydrogen-bonded Turntrans-66.6-7.7178.4-80.8-16.7000113.4N764 L768 R773 R800N764-D766 PolarHBondContact O-N 3.44Å; N764-D766 VanDerWaalsContact O-N 3.14Å; D766-L768 VanDerWaalsContact C-N 3.28Å; D766-R773 IonicContact OD1-CZ 3.91Å; D766-R773 IonicContact OD1-NH1 3.77Å; D766-R773 PolarHBondContact OD1-NH1 3.05Å; D766-R773 IonicContact OD1-NH2 3.56Å; D766-R773 PolarHBondContact OD1-NH2 2.91Å; D766-R800 IonicContact OD2-NH1 3.2Å; D766-R800 PolarHBondContact OD2-NH1 2.89Å
767A88.3Confident90.4Very high50 Ų5030 Ų3041%0.41318%0.183SC..THydrogen-bonded Turntrans-75.9-15.9171.200000113P743 D765P743-A767 HydrophobicContact CB-CB 3.97Å; P743-A767 HydrophobicContact CG-CB 4.12Å; D765-A767 PolarHBondContact O-N 2.9Å; D765-A767 VanDerWaalsContact O-N 3.16Å; D765-A767 WeakPolarHBondContact OD1-CB 3.27Å; D765-A767 PolarHBondContact OD1-N 3.42Å
768L92.4Very high91.5Very high9 Ų927.5 Ų27.55%0.04716%0.157CC..SBendtrans-87.5143.1172.6-57.5172.2000110.1P743 Y744 V747 I762 D765 D766 R773P743-L768 HydrophobicContact CB-CD2 3.8Å; P743-L768 HydrophobicContact CB-CG 4.48Å; P743-L768 HydrophobicContact CG-CD2 4.28Å; Y744-L768 HydrophobicContact CD1-CD2 3.85Å; Y744-L768 HydrophobicContact CD2-CD2 4.42Å; Y744-L768 HydrophobicContact CE1-CD2 3.66Å; Y744-L768 HydrophobicContact CE2-CD2 4.27Å; Y744-L768 HydrophobicContact CG-CD2 4.22Å; V747-L768 HydrophobicContact CG2-CD1 3.53Å; V747-L768 HydrophobicContact CG2-CD2 3.9Å; V747-L768 HydrophobicContact CG2-CG 4.27Å; I762-L768 HydrophobicContact CG2-CD1 4.05Å; I762-L768 WeakPolarHBondContact O-CD1 3.39Å; D765-L768 HydrophobicContact CB-CD1 4.09Å; D765-L768 HydrophobicContact CB-CG 4.24Å; D765-L768 PolarHBondContact O-N 3.01Å; D765-L768 VanDerWaalsContact O-N 3.12Å; D766-L768 VanDerWaalsContact C-N 3.28Å; L768-R773 HydrophobicContact CB-CG 3.84Å; L768-R773 HydrophobicContact CD1-CG 4.25Å; L768-R773 PolarHBondContact O-NE 3.46Å
769C91.7Very high92Very high29 Ų2923.6 Ų23.620%0.19614%0.136CC..  trans-63.7147.5174.469.60000110.3R684 I771 D772 R773R684-C769 PolarHBondContact NH2-SG 3.37Å; R684-C769 VanDerWaalsContact NH2-SG 3.45Å; C769-I771 PolarHBondContact O-N 2.87Å; C769-D772 PolarHBondContact O-N 2.9Å; C769-D772 PolarHBondContact SG-OD1 3.21Å; C769-D772 VanDerWaalsContact SG-OD1 3.34Å; C769-D772 PolarHBondContact SG-OD2 2.93Å; C769-R773 PolarHBondContact O-N 2.84Å
770L95.1Very high92.2Very high0 Ų023.7 Ų23.70%014%0.137CC..Hα-helixtrans-58.7-37.1-178.9-179.263.7000111.4D772 R773 V774 T793 M797 E804 L807 L808L770-D772 VanDerWaalsContact C-N 3.31Å; L770-D772 PolarHBondContact O-N 3.34Å; L770-R773 PolarHBondContact O-N 3.44Å; L770-V774 HydrophobicContact CD1-CG2 3.82Å; L770-V774 HydrophobicContact CG-CG2 3.95Å; L770-V774 WeakPolarHBondContact O-CB 3.4Å; L770-V774 VanDerWaalsContact O-CG2 3.25Å; L770-V774 WeakPolarHBondContact O-CG2 3.34Å; L770-V774 PolarHBondContact O-N 3.39Å; L770-T793 HydrophobicContact CD1-CG2 3.68Å; L770-M797 HydrophobicContact CB-CE 4.5Å; L770-M797 HydrophobicContact CD1-SD 3.75Å; L770-M797 HydrophobicContact CD2-CE 3.9Å; L770-M797 HydrophobicContact CD2-SD 3.64Å; L770-M797 HydrophobicContact CG-SD 4.2Å; L770-E804 HydrophobicContact CB-CG 3.62Å; L770-E804 VanDerWaalsContact CB-OE1 3.32Å; L770-E804 WeakPolarHBondContact CB-OE1 3.37Å; L770-E804 HydrophobicContact CD2-CG 4.03Å; L770-E804 WeakPolarHBondContact CD2-O 3.4Å; L770-E804 HydrophobicContact CG-CG 4.49Å; L770-E804 PolarHBondContact N-OE1 3.1Å; L770-L807 HydrophobicContact CD2-CB 4.36Å; L770-L807 HydrophobicContact CD2-CD2 4.27Å; L770-L807 HydrophobicContact CG-CD2 4.2Å; L770-L808 HydrophobicContact CD1-CD1 4.32Å; L770-L808 HydrophobicContact CD2-CD1 4.08Å; L770-L808 HydrophobicContact CD2-CG 4.04Å
771I93.5Very high92.4Very high19 Ų1919.7 Ų19.710%0.09712%0.118CC..Hα-helixtrans-51.9-51.4178.3-74.1172.7000110.9C658 M659 C769 V774 A775 L807C658-I771 HydrophobicContact CB-CG2 3.93Å; C658-I771 WeakPolarHBondContact O-CG2 3.49Å; C658-I771 PolarHBondContact SG-O 3.04Å; M659-I771 HydrophobicContact SD-CD1 4.41Å; C769-I771 PolarHBondContact O-N 2.87Å; I771-V774 PolarHBondContact O-N 2.92Å; I771-A775 WeakPolarHBondContact O-CB 3.35Å; I771-A775 PolarHBondContact O-N 3.46Å; I771-L807 HydrophobicContact CG1-CD2 4.02Å
772D93.8Very high92.6Very high9 Ų919 Ų195%0.04811%0.109CC..Hα-helixtrans-72.2-36.1-175.2-64.1-1.4000111W660 R684 Y744 C769 L770 A775 C776W660-D772 HydrophobicContact CH2-CB 4.18Å; W660-D772 HydrophobicContact CZ2-CB 3.58Å; W660-D772 VanDerWaalsContact CZ2-OD1 3.25Å; W660-D772 WeakPolarHBondContact CZ2-OD1 3.34Å; W660-D772 PolarHBondContact NE1-OD1 3.34Å; R684-D772 IonicContact CZ-OD1 3.43Å; R684-D772 IonicContact CZ-OD2 2.87Å; R684-D772 IonicContact NE-OD1 2.65Å; R684-D772 IonicContact NE-OD2 3.75Å; R684-D772 PolarHBondContact NE-OD2 2.87Å; R684-D772 IonicContact NH2-OD1 2.77Å; R684-D772 PolarHBondContact NH2-OD1 2.84Å; R684-D772 IonicContact NH2-OD2 3.82Å; R684-D772 PolarHBondContact NH2-OD2 3.42Å; Y744-D772 WeakPolarHBondContact CE1-OD2 3.11Å; Y744-D772 PolarHBondContact OH-OD2 2.86Å; C769-D772 PolarHBondContact O-N 2.9Å; C769-D772 PolarHBondContact SG-OD1 3.21Å; C769-D772 VanDerWaalsContact SG-OD1 3.34Å; C769-D772 PolarHBondContact SG-OD2 2.93Å; L770-D772 VanDerWaalsContact C-N 3.31Å; L770-D772 PolarHBondContact O-N 3.34Å; D772-A775 PolarHBondContact O-N 3.33Å; D772-C776 VanDerWaalsContact O-CB 3.28Å; D772-C776 WeakPolarHBondContact O-CB 3.39Å; D772-C776 PolarHBondContact O-N 3.3Å
773R95.4Very high92.6Very high10 Ų1020.8 Ų20.84%0.03812%0.119CC..Hα-helixtrans-64.4-46.1174.4-67.3-170.5-77.5170.7-8.3112.2L763 D765 D766 L768 C769 L770 A775 C776 A777 F789L763-R773 VanDerWaalsContact CD2-O 3.26Å; L763-R773 WeakPolarHBondContact CD2-O 3.38Å; L763-R773 VanDerWaalsContact O-CD 3.25Å; L763-R773 WeakPolarHBondContact O-CD 3.49Å; L763-R773 PolarHBondContact O-NH1 3.4Å; D765-R773 WeakPolarHBondContact O-CD 3.46Å; D766-R773 IonicContact OD1-CZ 3.91Å; D766-R773 IonicContact OD1-NH1 3.77Å; D766-R773 PolarHBondContact OD1-NH1 3.05Å; D766-R773 IonicContact OD1-NH2 3.56Å; D766-R773 PolarHBondContact OD1-NH2 2.91Å; L768-R773 HydrophobicContact CB-CG 3.84Å; L768-R773 HydrophobicContact CD1-CG 4.25Å; L768-R773 PolarHBondContact O-NE 3.46Å; C769-R773 PolarHBondContact O-N 2.84Å; L770-R773 PolarHBondContact O-N 3.44Å; R773-A775 VanDerWaalsContact C-N 3.35Å; R773-C776 PolarHBondContact O-N 2.74Å; R773-A777 WeakPolarHBondContact O-CB 3.13Å; R773-A777 PolarHBondContact O-N 3.37Å; R773-F789 HydrophobicContact CB-CZ 4.37Å
774V95.3Very high92.5Very high1 Ų125.3 Ų25.31%0.00614%0.143CC..Hα-helixtrans-64.7-41.5177.7171.60000110.5V609 V654 C658 L770 I771 A777 C778 L790 L807 L808V609-V774 HydrophobicContact CG1-CG1 4.3Å; V654-V774 HydrophobicContact CG1-CG1 3.9Å; C658-V774 VanDerWaalsContact SG-CG1 3.53Å; L770-V774 HydrophobicContact CD1-CG2 3.82Å; L770-V774 HydrophobicContact CG-CG2 3.95Å; L770-V774 WeakPolarHBondContact O-CB 3.4Å; L770-V774 VanDerWaalsContact O-CG2 3.25Å; L770-V774 WeakPolarHBondContact O-CG2 3.34Å; L770-V774 PolarHBondContact O-N 3.39Å; I771-V774 PolarHBondContact O-N 2.92Å; V774-A777 PolarHBondContact O-N 2.88Å; V774-C778 VanDerWaalsContact O-CB 3.26Å; V774-C778 WeakPolarHBondContact O-CB 3.39Å; V774-C778 PolarHBondContact O-N 3.08Å; V774-L790 HydrophobicContact CG1-CD2 4.02Å; V774-L790 HydrophobicContact CG2-CD2 3.97Å; V774-L807 HydrophobicContact CB-CD2 4.32Å; V774-L807 HydrophobicContact CG2-CD2 4.16Å; V774-L808 HydrophobicContact CG2-CD2 3.87Å
775A94.6Very high92.6Very high0 Ų024.8 Ų24.80%014%0.14CC..Hα-helixtrans-66.7-42.4178.400000112L655 C658 W660 I771 D772 R773 C778 L779L655-A775 HydrophobicContact CD2-CB 3.99Å; C658-A775 HydrophobicContact CB-CB 3.98Å; W660-A775 HydrophobicContact CB-CB 4.15Å; W660-A775 HydrophobicContact CD2-CB 3.48Å; W660-A775 VanDerWaalsContact CD2-CB 3.48Å; W660-A775 HydrophobicContact CE3-CB 3.11Å; W660-A775 HydrophobicContact CG-CB 3.98Å; W660-A775 HydrophobicContact CH2-CB 4.29Å; W660-A775 HydrophobicContact CZ2-CB 4.49Å; W660-A775 HydrophobicContact CZ3-CB 3.62Å; I771-A775 WeakPolarHBondContact O-CB 3.35Å; I771-A775 PolarHBondContact O-N 3.46Å; D772-A775 PolarHBondContact O-N 3.33Å; R773-A775 VanDerWaalsContact C-N 3.35Å; A775-C778 WeakPolarHBondContact O-CB 3.45Å; A775-C778 PolarHBondContact O-N 2.82Å; A775-L779 WeakPolarHBondContact O-CG 3.48Å; A775-L779 PolarHBondContact O-N 2.83Å; A775-L779 VanDerWaalsContact O-N 3.13Å
776C93.8Very high92.7Very high1 Ų123.5 Ų23.51%0.00713%0.133CC..Hα-helixtrans-59.2-47.6172.1-175.30000111.7L763 D772 R773 C778 L779 Y780L763-C776 HydrophobicContact CD2-CB 4.42Å; D772-C776 VanDerWaalsContact O-CB 3.28Å; D772-C776 WeakPolarHBondContact O-CB 3.39Å; D772-C776 PolarHBondContact O-N 3.3Å; R773-C776 PolarHBondContact O-N 2.74Å; C776-C778 VanDerWaalsContact C-N 3.29Å; C776-C778 PolarHBondContact O-N 3.42Å; C776-L779 PolarHBondContact O-N 3.43Å; C776-L779 VanDerWaalsContact O-N 3.13Å; C776-Y780 WeakPolarHBondContact O-CD2 3.41Å; C776-Y780 PolarHBondContact O-N 2.9Å; C776-Y780 VanDerWaalsContact O-N 3.12Å
777A94.5Very high93Very high0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-58.1-42.4175.500000112L763 R773 V774 L779 Y780 L781 L786 F789L763-A777 HydrophobicContact CD1-CB 4.24Å; L763-A777 HydrophobicContact CD2-CB 3.84Å; R773-A777 WeakPolarHBondContact O-CB 3.13Å; R773-A777 PolarHBondContact O-N 3.37Å; V774-A777 PolarHBondContact O-N 2.88Å; A777-L779 PolarHBondContact O-N 3.34Å; A777-Y780 PolarHBondContact O-N 2.8Å; A777-L781 HydrophobicContact CB-CD1 3.93Å; A777-L781 HydrophobicContact CB-CG 4.3Å; A777-L781 WeakPolarHBondContact O-CB 3.3Å; A777-L781 PolarHBondContact O-N 3.47Å; A777-L786 HydrophobicContact CB-CD1 3.81Å; A777-F789 HydrophobicContact CB-CD1 3.61Å; A777-F789 HydrophobicContact CB-CE1 3.62Å
778C93.3Very high93.2Very high1 Ų124.4 Ų24.41%0.00713%0.134CC..Hα-helixtrans-62.5-29.5178.7-164.70000112.7R651 V654 L655 V774 A775 C776R651-C778 WeakPolarHBondContact CA-SG 3.38Å; R651-C778 WeakPolarHBondContact CB-SG 3.31Å; R651-C778 WeakPolarHBondContact CD-O 3.24Å; R651-C778 PolarHBondContact NH1-O 2.87Å; R651-C778 PolarHBondContact O-SG 3.18Å; R651-C778 VanDerWaalsContact O-SG 3.36Å; V654-C778 HydrophobicContact CG1-CB 4.38Å; L655-C778 HydrophobicContact CD2-CB 4.28Å; V774-C778 VanDerWaalsContact O-CB 3.26Å; V774-C778 WeakPolarHBondContact O-CB 3.39Å; V774-C778 PolarHBondContact O-N 3.08Å; A775-C778 WeakPolarHBondContact O-CB 3.45Å; A775-C778 PolarHBondContact O-N 2.82Å; C776-C778 VanDerWaalsContact C-N 3.29Å; C776-C778 PolarHBondContact O-N 3.42Å
779L92.7Very high93.3Very high4 Ų424.3 Ų24.32%0.02113%0.134CC..Hα-helixtrans-82.9-34.8177.3-67.4179.1000113.3R645 Y646 L655 L662 I691 A775 C776 A777R645-L779 CarbonylContact C-O 3.17Å; R645-L779 WeakPolarHBondContact CA-O 3.25Å; R645-L779 WeakPolarHBondContact CG-O 3.15Å; Y646-L779 PolarHBondContact N-O 2.82Å; L655-L779 HydrophobicContact CD1-CD2 3.83Å; L655-L779 HydrophobicContact CD2-CD2 4.24Å; L655-L779 HydrophobicContact CD2-CG 4.29Å; L662-L779 HydrophobicContact CD1-CD1 3.92Å; I691-L779 HydrophobicContact CG2-CD1 4.21Å; A775-L779 WeakPolarHBondContact O-CG 3.48Å; A775-L779 PolarHBondContact O-N 2.83Å; A775-L779 VanDerWaalsContact O-N 3.13Å; C776-L779 PolarHBondContact O-N 3.43Å; C776-L779 VanDerWaalsContact O-N 3.13Å; A777-L779 PolarHBondContact O-N 3.34Å
780Y93.5Very high93.4Very high5 Ų523 Ų232%0.0213%0.125CC..Hα-helixtrans-124.2-13.8-161.1-63.3-63.9000116.6L641 F643 R645 Y646 I691 F751 F759 C776 A777L641-Y780 HydrophobicContact CD2-CE1 3.84Å; F643-Y780 AromaticContact CD2-CD1 3.91Å; F643-Y780 HydrophobicContact CD2-CD1 3.91Å; F643-Y780 HydrophobicContact CD2-CE1 4.22Å; F643-Y780 AromaticContact CE2-CD1 3.73Å; F643-Y780 HydrophobicContact CE2-CD1 3.73Å; F643-Y780 AromaticContact CE2-CE1 3.74Å; F643-Y780 HydrophobicContact CE2-CE1 3.74Å; F643-Y780 HydrophobicContact CE2-CG 4.44Å; R645-Y780 HydrophobicContact CB-CD1 4.49Å; R645-Y780 HydrophobicContact CB-CE1 4.21Å; R645-Y780 HydrophobicContact CG-CE1 4.15Å; Y646-Y780 VanDerWaalsContact CE2-O 3.29Å; Y646-Y780 WeakPolarHBondContact CE2-O 3.45Å; I691-Y780 HydrophobicContact CG2-CE2 3.84Å; I691-Y780 PolarHBondContact O-OH 2.86Å; F751-Y780 HydrophobicContact CE2-CD2 4.08Å; F751-Y780 HydrophobicContact CE2-CE1 4.45Å; F751-Y780 AromaticContact CE2-CE2 3.67Å; F751-Y780 HydrophobicContact CE2-CE2 3.67Å; F751-Y780 AromaticContact CE2-CZ 3.88Å; F751-Y780 HydrophobicContact CZ-CE1 4.25Å; F751-Y780 AromaticContact CZ-CE2 3.86Å; F751-Y780 HydrophobicContact CZ-CE2 3.86Å; F751-Y780 AromaticContact CZ-CZ 3.62Å; F759-Y780 HydrophobicContact CE1-CD2 4.49Å; F759-Y780 HydrophobicContact CE1-CG 4.17Å; F759-Y780 HydrophobicContact CE2-CG 4.42Å; F759-Y780 VanDerWaalsContact CZ-CB 3.5Å; F759-Y780 HydrophobicContact CZ-CD1 4.28Å; F759-Y780 AromaticContact CZ-CG 3.92Å; F759-Y780 HydrophobicContact CZ-CG 3.92Å; C776-Y780 WeakPolarHBondContact O-CD2 3.41Å; C776-Y780 PolarHBondContact O-N 2.9Å; C776-Y780 VanDerWaalsContact O-N 3.12Å; A777-Y780 PolarHBondContact O-N 2.8Å
781L93.5Very high93.4Very high6 Ų629 Ų293%0.03115%0.147CC..SBendtrans-87.6143.3171.9-64.5-174.1000111Y646 R651 F759 L763 A777 D785 L786 F789Y646-L781 VanDerWaalsContact CD2-O 3.28Å; Y646-L781 WeakPolarHBondContact CD2-O 3.14Å; R651-L781 VanDerWaalsContact CZ-O 3.29Å; R651-L781 PolarHBondContact NH1-O 3.24Å; R651-L781 PolarHBondContact NH2-O 3.16Å; F759-L781 HydrophobicContact CB-CD2 4.41Å; F759-L781 HydrophobicContact CD2-CD2 3.96Å; L763-L781 HydrophobicContact CD1-CD1 3.62Å; L763-L781 HydrophobicContact CD1-CD2 4.16Å; L763-L781 HydrophobicContact CD1-CG 4.06Å; A777-L781 HydrophobicContact CB-CD1 3.93Å; A777-L781 HydrophobicContact CB-CG 4.3Å; A777-L781 WeakPolarHBondContact O-CB 3.3Å; A777-L781 PolarHBondContact O-N 3.47Å; L781-D785 HydrophobicContact CB-CB 4.23Å; L781-D785 HydrophobicContact CD1-CB 4.37Å; L781-D785 HydrophobicContact CD2-CB 4.29Å; L781-L786 HydrophobicContact CB-CB 3.98Å; L781-F789 HydrophobicContact CD1-CB 3.92Å; L781-F789 HydrophobicContact CD1-CD1 4.45Å; L781-F789 HydrophobicContact CD1-CG 4.29Å
782N92.1Very high93.4Very high51 Ų5131 Ų3127%0.27316%0.163SC..  trans-64.7168.416664.656.1000110.5Y646 D784 D785 L786Y646-N782 HydrophobicContact CE1-CB 3.85Å; Y646-N782 HydrophobicContact CE2-CB 4.49Å; N782-D784 VanDerWaalsContact C-N 3.28Å; N782-D784 PolarHBondContact O-N 3.21Å; N782-D784 PolarHBondContact OD1-N 2.92Å; N782-D784 VanDerWaalsContact OD1-N 3.16Å; N782-D785 PolarHBondContact ND2-OD2 2.93Å; N782-D785 PolarHBondContact O-N 3.42Å; N782-D785 WeakPolarHBondContact OD1-CB 3.05Å; N782-D785 PolarHBondContact OD1-N 3.27Å; N782-D785 PolarHBondContact OD1-OD2 2.58Å; N782-L786 WeakPolarHBondContact O-CB 3.46Å; N782-L786 PolarHBondContact O-N 2.71Å
783D91.2Very high93.5Very high41 Ų4131.2 Ų31.222%0.21917%0.165CC..Hα-helixtrans-60.4-35.4-172.8-67.3-22.6000113.7T625 S626 R651 L787T625-D783 WeakPolarHBondContact CA-OD2 3.39Å; S626-D783 VanDerWaalsContact CB-OD1 3.28Å; S626-D783 WeakPolarHBondContact CB-OD1 3.33Å; S626-D783 PolarHBondContact N-OD2 3.41Å; S626-D783 PolarHBondContact OG-OD1 3.27Å; R651-D783 IonicContact CZ-OD1 3.38Å; R651-D783 IonicContact NE-OD1 3.56Å; R651-D783 IonicContact NH2-OD1 3.97Å; R651-D783 PolarHBondContact NH2-OD1 2.9Å; D783-L787 WeakPolarHBondContact O-CB 3.26Å; D783-L787 PolarHBondContact O-N 2.72Å
784D90.6Very high93.5Very high95 Ų9530.8 Ų30.851%0.50816%0.163SC..Hα-helixtrans-75.8-48.5-177.4-66.1-36.8000110.9K623 N782 L786 L787 V788K623-D784 IonicContact NZ-OD1 3.65Å; K623-D784 PolarHBondContact NZ-OD1 2.95Å; N782-D784 VanDerWaalsContact C-N 3.28Å; N782-D784 PolarHBondContact O-N 3.21Å; N782-D784 PolarHBondContact OD1-N 2.92Å; N782-D784 VanDerWaalsContact OD1-N 3.16Å; D784-L786 VanDerWaalsContact C-N 3.31Å; D784-L786 PolarHBondContact O-N 2.83Å; D784-L787 PolarHBondContact O-N 2.94Å; D784-V788 WeakPolarHBondContact O-CG2 3.21Å; D784-V788 PolarHBondContact O-N 3.26Å
785D92.2Very high93.5Very high80 Ų8034.7 Ų34.743%0.42818%0.184SC..Hα-helixtrans-64-37.5177.1-68.9-24.6000111.6L781 N782 V788 F789L781-D785 HydrophobicContact CB-CB 4.23Å; L781-D785 HydrophobicContact CD1-CB 4.37Å; L781-D785 HydrophobicContact CD2-CB 4.29Å; N782-D785 PolarHBondContact ND2-OD2 2.93Å; N782-D785 PolarHBondContact O-N 3.42Å; N782-D785 WeakPolarHBondContact OD1-CB 3.05Å; N782-D785 PolarHBondContact OD1-N 3.27Å; N782-D785 PolarHBondContact OD1-OD2 2.58Å; D785-V788 PolarHBondContact O-N 3.34Å; D785-F789 WeakPolarHBondContact O-CB 3.31Å; D785-F789 PolarHBondContact O-N 2.97Å
786L93.6Very high93.5Very high6 Ų636.8 Ų36.83%0.03120%0.199CC..Hα-helixtrans-59.3-48.5174.8177.459.5000110.8L613 A777 L781 N782 D784 F789 L790L613-L786 HydrophobicContact CD1-CD2 4.16Å; L613-L786 HydrophobicContact CD1-CG 4.45Å; A777-L786 HydrophobicContact CB-CD1 3.81Å; L781-L786 HydrophobicContact CB-CB 3.98Å; N782-L786 WeakPolarHBondContact O-CB 3.46Å; N782-L786 PolarHBondContact O-N 2.71Å; D784-L786 VanDerWaalsContact C-N 3.31Å; D784-L786 PolarHBondContact O-N 2.83Å; L786-F789 PolarHBondContact O-N 3.07Å; L786-L790 HydrophobicContact CD1-CD1 3.83Å; L786-L790 HydrophobicContact CD1-CG 4.05Å; L786-L790 HydrophobicContact CG-CD1 3.94Å; L786-L790 WeakPolarHBondContact O-CB 3.28Å; L786-L790 VanDerWaalsContact O-CG 3.23Å; L786-L790 WeakPolarHBondContact O-CG 3.4Å; L786-L790 PolarHBondContact O-N 3.3Å
787L91.7Very high93.6Very high48 Ų4837 Ų3725%0.25120%0.199SC..Hα-helixtrans-67.4-38.6-179-172.564.3000111.9D783 D784 R791D783-L787 WeakPolarHBondContact O-CB 3.26Å; D783-L787 PolarHBondContact O-N 2.72Å; D784-L787 PolarHBondContact O-N 2.94Å; L787-R791 HydrophobicContact CD1-CG 4.42Å; L787-R791 WeakPolarHBondContact O-CB 3.23Å; L787-R791 WeakPolarHBondContact O-CG 3.33Å; L787-R791 PolarHBondContact O-N 3.06Å
788V92.8Very high93.7Very high98 Ų9837.4 Ų37.459%0.59420%0.202SC*.Hα-helixtrans-60.1-51.8174.6170.40000110.2D784 D785 L790 R791 S792D784-V788 WeakPolarHBondContact O-CG2 3.21Å; D784-V788 PolarHBondContact O-N 3.26Å; D785-V788 PolarHBondContact O-N 3.34Å; V788-L790 PolarHBondContact O-N 3.01Å; V788-R791 PolarHBondContact O-N 3.05Å; V788-S792 WeakPolarHBondContact O-CB 3.43Å; V788-S792 PolarHBondContact O-N 3.22Å; V788-S792 PolarHBondContact O-OG 3.15Å; V788-S792 VanDerWaalsContact O-OG 3.1Å
789F94.1Very high93.8Very high7 Ų744.4 Ų44.43%0.03124%0.235CC..Hα-helixtrans-57.1-49.3178.2167.3-107.4000112.1L763 R773 A777 L781 D785 L786 R791 S792 T793L763-F789 HydrophobicContact CB-CD2 4.12Å; L763-F789 HydrophobicContact CB-CE2 3.66Å; L763-F789 HydrophobicContact CB-CZ 4.11Å; L763-F789 HydrophobicContact CD1-CD2 4.25Å; L763-F789 HydrophobicContact CD1-CE2 4.42Å; L763-F789 HydrophobicContact CD1-CG 4.36Å; L763-F789 HydrophobicContact CD2-CE1 4.38Å; L763-F789 HydrophobicContact CD2-CZ 4.14Å; L763-F789 HydrophobicContact CG-CE2 4.41Å; R773-F789 HydrophobicContact CB-CZ 4.37Å; A777-F789 HydrophobicContact CB-CD1 3.61Å; A777-F789 HydrophobicContact CB-CE1 3.62Å; L781-F789 HydrophobicContact CD1-CB 3.92Å; L781-F789 HydrophobicContact CD1-CD1 4.45Å; L781-F789 HydrophobicContact CD1-CG 4.29Å; D785-F789 WeakPolarHBondContact O-CB 3.31Å; D785-F789 PolarHBondContact O-N 2.97Å; L786-F789 PolarHBondContact O-N 3.07Å; F789-R791 PolarHBondContact O-N 3.19Å; F789-S792 PolarHBondContact O-N 3.28Å; F789-S792 PolarHBondContact O-OG 2.91Å; F789-T793 WeakPolarHBondContact CE2-OG1 3.44Å; F789-T793 VanDerWaalsContact O-CB 3.23Å; F789-T793 WeakPolarHBondContact O-CB 3.29Å; F789-T793 PolarHBondContact O-N 3.24Å; F789-T793 PolarHBondContact O-OG1 3.08Å
790L95.1Very high93.7Very high1 Ų150.6 Ų50.61%0.00526%0.258CS..Hα-helixtrans-63.8-41.1-177.8-68.4172.4000111.9V609 I610 L613 V774 L786 V788 C794 L808V609-L790 HydrophobicContact CG1-CD1 3.99Å; V609-L790 HydrophobicContact CG1-CD2 4.28Å; I610-L790 HydrophobicContact CG1-CB 4.33Å; L613-L790 HydrophobicContact CD1-CD1 3.33Å; V774-L790 HydrophobicContact CG1-CD2 4.02Å; V774-L790 HydrophobicContact CG2-CD2 3.97Å; L786-L790 HydrophobicContact CD1-CD1 3.83Å; L786-L790 HydrophobicContact CD1-CG 4.05Å; L786-L790 HydrophobicContact CG-CD1 3.94Å; L786-L790 WeakPolarHBondContact O-CB 3.28Å; L786-L790 VanDerWaalsContact O-CG 3.23Å; L786-L790 WeakPolarHBondContact O-CG 3.4Å; L786-L790 PolarHBondContact O-N 3.3Å; V788-L790 PolarHBondContact O-N 3.01Å; L790-C794 WeakPolarHBondContact O-CB 3.27Å; L790-C794 PolarHBondContact O-N 3.27Å; L790-L808 HydrophobicContact CD2-CD2 3.75Å
791R94.1Very high93.7Very high126 Ų12650.5 Ų50.548%0.47526%0.258SS..Hα-helixtrans-68.9-43.6177.8-73.7178.9177.2177.41.1112.1L787 V788 F789 N795L787-R791 HydrophobicContact CD1-CG 4.42Å; L787-R791 WeakPolarHBondContact O-CB 3.23Å; L787-R791 WeakPolarHBondContact O-CG 3.33Å; L787-R791 PolarHBondContact O-N 3.06Å; V788-R791 PolarHBondContact O-N 3.05Å; F789-R791 PolarHBondContact O-N 3.19Å; R791-N795 WeakPolarHBondContact O-CB 3.41Å; R791-N795 PolarHBondContact O-N 3.35Å; R791-N795 PolarHBondContact O-ND2 3.14Å
792S94.4Very high93.8Very high62 Ų6252 Ų5243%0.43427%0.265SS..Hα-helixtrans-63.1-45.7177.960.10000111.3V788 F789 N795 S796V788-S792 WeakPolarHBondContact O-CB 3.43Å; V788-S792 PolarHBondContact O-N 3.22Å; V788-S792 PolarHBondContact O-OG 3.15Å; V788-S792 VanDerWaalsContact O-OG 3.1Å; F789-S792 PolarHBondContact O-N 3.28Å; F789-S792 PolarHBondContact O-OG 2.91Å; S792-N795 PolarHBondContact O-N 3.5Å; S792-S796 WeakPolarHBondContact O-CB 3.3Å; S792-S796 PolarHBondContact O-N 3.12Å
793T95.3Very high93.9Very high13 Ų1349.7 Ų49.78%0.0825%0.253CS..Hα-helixtrans-65.2-45.6178.9-60.70000110.9L770 F789 N795 S796 M797 L808L770-T793 HydrophobicContact CD1-CG2 3.68Å; F789-T793 WeakPolarHBondContact CE2-OG1 3.44Å; F789-T793 VanDerWaalsContact O-CB 3.23Å; F789-T793 WeakPolarHBondContact O-CB 3.29Å; F789-T793 PolarHBondContact O-N 3.24Å; F789-T793 PolarHBondContact O-OG1 3.08Å; T793-N795 PolarHBondContact O-N 3.37Å; T793-S796 PolarHBondContact O-N 2.8Å; T793-M797 HydrophobicContact CG2-CG 4.28Å; T793-M797 HydrophobicContact CG2-SD 3.83Å; T793-M797 WeakPolarHBondContact O-CB 3.26Å; T793-M797 VanDerWaalsContact O-CG 3.27Å; T793-M797 WeakPolarHBondContact O-CG 3.25Å; T793-M797 PolarHBondContact O-N 2.87Å; T793-L808 HydrophobicContact CG2-CD1 4.14Å
794C95.3Very high94.1Very high1 Ų149.6 Ų49.61%0.00725%0.251CS..Hα-helixtrans-57.7-51.4175.2-175.30000111.8I610 L790 S796 M797 V798 L808 T809I610-C794 HydrophobicContact CD1-CB 3.49Å; I610-C794 VanDerWaalsContact CD1-CB 3.49Å; L790-C794 WeakPolarHBondContact O-CB 3.27Å; L790-C794 PolarHBondContact O-N 3.27Å; C794-S796 VanDerWaalsContact C-N 3.32Å; C794-S796 PolarHBondContact O-N 3.1Å; C794-M797 PolarHBondContact O-N 3.37Å; C794-V798 VanDerWaalsContact O-CB 3.28Å; C794-V798 WeakPolarHBondContact O-CB 3.43Å; C794-V798 WeakPolarHBondContact O-CG2 3.26Å; C794-V798 PolarHBondContact O-N 3.37Å; C794-L808 HydrophobicContact CB-CB 4.15Å; C794-L808 HydrophobicContact CB-CD1 3.81Å; C794-T809 VanDerWaalsContact SG-CG2 3.53Å
795N95.4Very high94.3Very high83 Ų8345.1 Ų45.144%0.44423%0.227SC..Hα-helixtrans-59-43.9179.9-72.8-22.7000112.2R791 S792 T793 Q799R791-N795 WeakPolarHBondContact O-CB 3.41Å; R791-N795 PolarHBondContact O-N 3.35Å; R791-N795 PolarHBondContact O-ND2 3.14Å; S792-N795 PolarHBondContact O-N 3.5Å; T793-N795 PolarHBondContact O-N 3.37Å; N795-Q799 WeakPolarHBondContact O-CB 3.25Å; N795-Q799 VanDerWaalsContact O-CG 3.24Å; N795-Q799 WeakPolarHBondContact O-CG 3.41Å; N795-Q799 PolarHBondContact O-N 3.17Å; N795-Q799 VanDerWaalsContact O-N 3.07Å
796S95.2Very high94.4Very high44 Ų4441.4 Ų41.431%0.30821%0.207SC..Hα-helixtrans-62.2-50178-176.90000111.9S792 T793 C794 Q799 R800S792-S796 WeakPolarHBondContact O-CB 3.3Å; S792-S796 PolarHBondContact O-N 3.12Å; T793-S796 PolarHBondContact O-N 2.8Å; C794-S796 VanDerWaalsContact C-N 3.32Å; C794-S796 PolarHBondContact O-N 3.1Å; S796-Q799 PolarHBondContact O-N 2.95Å; S796-R800 WeakPolarHBondContact O-CG 3.32Å; S796-R800 PolarHBondContact O-N 3.25Å; S796-R800 VanDerWaalsContact O-N 3.11Å
797M95.8Very high94.5Very high4 Ų441.2 Ų41.22%0.0221%0.206CC..Hα-helixtrans-69.2-37.5-177.8-65.9-175.178.600112.7L770 T793 C794 R800 G801 Q802 E804L770-M797 HydrophobicContact CB-CE 4.5Å; L770-M797 HydrophobicContact CD1-SD 3.75Å; L770-M797 HydrophobicContact CD2-CE 3.9Å; L770-M797 HydrophobicContact CD2-SD 3.64Å; L770-M797 HydrophobicContact CG-SD 4.2Å; T793-M797 HydrophobicContact CG2-CG 4.28Å; T793-M797 HydrophobicContact CG2-SD 3.83Å; T793-M797 WeakPolarHBondContact O-CB 3.26Å; T793-M797 VanDerWaalsContact O-CG 3.27Å; T793-M797 WeakPolarHBondContact O-CG 3.25Å; T793-M797 PolarHBondContact O-N 2.87Å; C794-M797 PolarHBondContact O-N 3.37Å; M797-R800 CarbonylContact O-C 3.58Å; M797-R800 PolarHBondContact O-N 3.03Å; M797-G801 PolarHBondContact O-N 3.34Å; M797-Q802 HydrophobicContact CB-CB 4.19Å; M797-Q802 HydrophobicContact CE-CB 3.87Å; M797-Q802 PolarHBondContact O-N 3.15Å; M797-E804 HydrophobicContact CE-CB 3.96Å; M797-E804 HydrophobicContact CE-CG 4.47Å
798V96.4Very high94.7Very high9 Ų939 Ų396%0.05519%0.194CC..Hα-helixtrans-60.6-46173.5169.30000110.2C794 R800 G801 T809 D815 N818 L819 N822C794-V798 VanDerWaalsContact O-CB 3.28Å; C794-V798 WeakPolarHBondContact O-CB 3.43Å; C794-V798 WeakPolarHBondContact O-CG2 3.26Å; C794-V798 PolarHBondContact O-N 3.37Å; V798-R800 VanDerWaalsContact C-N 3.29Å; V798-R800 PolarHBondContact O-N 3.42Å; V798-G801 PolarHBondContact O-N 3.32Å; V798-G801 VanDerWaalsContact O-N 3.13Å; V798-T809 HydrophobicContact CG2-CG2 3.71Å; V798-D815 HydrophobicContact CG2-CB 4.3Å; V798-N818 HydrophobicContact CG1-CB 3.91Å; V798-L819 HydrophobicContact CG1-CB 4.39Å; V798-L819 HydrophobicContact CG2-CB 4.25Å; V798-N822 WeakPolarHBondContact O-CB 3.37Å; V798-N822 PolarHBondContact O-ND2 3.09Å
799Q93.8Very high94.7Very high149 Ų14934.7 Ų34.770%0.69617%0.168SC*.Hα-helixtrans-61.9-35.5177.5-75.7176.313.500113N795 S796 G801N795-Q799 WeakPolarHBondContact O-CB 3.25Å; N795-Q799 VanDerWaalsContact O-CG 3.24Å; N795-Q799 WeakPolarHBondContact O-CG 3.41Å; N795-Q799 PolarHBondContact O-N 3.17Å; N795-Q799 VanDerWaalsContact O-N 3.07Å; S796-Q799 PolarHBondContact O-N 2.95Å; Q799-G801 VanDerWaalsContact C-N 3.31Å
800R91Very high94.6Very high134 Ų13434.4 Ų34.451%0.50617%0.167SC..THydrogen-bonded Turntrans-81.4-6.6177.1-65.8174.8-175.9-179.40.9113.8D766 S796 M797 V798 Q802D766-R800 IonicContact OD2-NH1 3.2Å; D766-R800 PolarHBondContact OD2-NH1 2.89Å; S796-R800 WeakPolarHBondContact O-CG 3.32Å; S796-R800 PolarHBondContact O-N 3.25Å; S796-R800 VanDerWaalsContact O-N 3.11Å; M797-R800 CarbonylContact O-C 3.58Å; M797-R800 PolarHBondContact O-N 3.03Å; V798-R800 VanDerWaalsContact C-N 3.29Å; V798-R800 PolarHBondContact O-N 3.42Å; R800-Q802 VanDerWaalsContact C-N 3.33Å; R800-Q802 HydrophobicContact CB-CG 3.95Å; R800-Q802 PolarHBondContact O-N 2.92Å
801G94Very high94.3Very high2 Ų234.5 Ų34.52%0.02117%0.167CC..THydrogen-bonded Turntrans68.228.1-176.400000114M797 V798 Q799 L803M797-G801 PolarHBondContact O-N 3.34Å; V798-G801 PolarHBondContact O-N 3.32Å; V798-G801 VanDerWaalsContact O-N 3.13Å; Q799-G801 VanDerWaalsContact C-N 3.31Å; G801-L803 PolarHBondContact O-N 3.44Å
802Q94.8Very high93.7Very high39 Ų3929.3 Ų29.318%0.18215%0.15CC..  trans-81.7107.6-177-69.4179.5-69.900111.5M797 R800 E804 S805 L819M797-Q802 HydrophobicContact CB-CB 4.19Å; M797-Q802 HydrophobicContact CE-CB 3.87Å; M797-Q802 PolarHBondContact O-N 3.15Å; R800-Q802 VanDerWaalsContact C-N 3.33Å; R800-Q802 HydrophobicContact CB-CG 3.95Å; R800-Q802 PolarHBondContact O-N 2.92Å; Q802-E804 PolarHBondContact O-N 2.94Å; Q802-S805 WeakPolarHBondContact O-CB 3.49Å; Q802-S805 PolarHBondContact O-N 3.41Å; Q802-L819 VanDerWaalsContact O-CD1 3.3Å; Q802-L819 WeakPolarHBondContact O-CD1 3Å
803L95.9Very high93.2Very high2 Ų227.7 Ų27.71%0.0114%0.139CC..G310 helixtrans-63.1-20.5-170.3-61.7-177.9000114.6Q552 L553 M556 G801 S805 I806 L819 I820 Y823Q552-L803 HydrophobicContact CB-CB 4.3Å; Q552-L803 HydrophobicContact CB-CD1 4.36Å; Q552-L803 HydrophobicContact CB-CG 4.49Å; Q552-L803 VanDerWaalsContact OE1-N 3.11Å; L553-L803 HydrophobicContact CD2-CD1 3.48Å; L553-L803 VanDerWaalsContact CD2-CD1 3.48Å; L553-L803 HydrophobicContact CG-CD1 4.13Å; M556-L803 HydrophobicContact CB-CB 4.22Å; M556-L803 HydrophobicContact SD-CB 4.21Å; M556-L803 HydrophobicContact SD-CD1 3.97Å; M556-L803 HydrophobicContact SD-CD2 4.35Å; M556-L803 HydrophobicContact SD-CG 4.43Å; G801-L803 PolarHBondContact O-N 3.44Å; L803-S805 PolarHBondContact O-N 2.95Å; L803-S805 VanDerWaalsContact O-N 3.15Å; L803-I806 VanDerWaalsContact O-CB 3.27Å; L803-I806 WeakPolarHBondContact O-CB 3.48Å; L803-I806 WeakPolarHBondContact O-CG2 3.25Å; L803-I806 PolarHBondContact O-N 3.44Å; L803-L819 HydrophobicContact CD2-CG 4.49Å; L803-I820 HydrophobicContact CD2-CD1 3.73Å; L803-Y823 HydrophobicContact CD1-CD1 4.47Å; L803-Y823 HydrophobicContact CD1-CD2 3.83Å; L803-Y823 HydrophobicContact CD1-CE1 4.23Å; L803-Y823 HydrophobicContact CD1-CE2 3.55Å; L803-Y823 HydrophobicContact CD1-CG 4.28Å; L803-Y823 HydrophobicContact CD2-CD1 4.25Å; L803-Y823 HydrophobicContact CD2-CD2 3.78Å; L803-Y823 HydrophobicContact CD2-CE2 4.38Å; L803-Y823 HydrophobicContact CD2-CG 3.7Å; L803-Y823 HydrophobicContact CG-CD2 3.64Å; L803-Y823 HydrophobicContact CG-CE2 3.86Å; L803-Y823 HydrophobicContact CG-CG 4.09Å
804E94.1Very high92.8Very high39 Ų3931 Ų3118%0.18216%0.157CC..G310 helixtrans-58.4-24.7172.4-170.5179.2-157.500112.6T555 L770 M797 Q802 I806 L807T555-E804 HydrophobicContact CG2-CB 4.39Å; T555-E804 HydrophobicContact CG2-CG 3.94Å; L770-E804 HydrophobicContact CB-CG 3.62Å; L770-E804 VanDerWaalsContact CB-OE1 3.32Å; L770-E804 WeakPolarHBondContact CB-OE1 3.37Å; L770-E804 HydrophobicContact CD2-CG 4.03Å; L770-E804 WeakPolarHBondContact CD2-O 3.4Å; L770-E804 HydrophobicContact CG-CG 4.49Å; L770-E804 PolarHBondContact N-OE1 3.1Å; M797-E804 HydrophobicContact CE-CB 3.96Å; M797-E804 HydrophobicContact CE-CG 4.47Å; Q802-E804 PolarHBondContact O-N 2.94Å; E804-I806 PolarHBondContact O-N 3.27Å; E804-L807 PolarHBondContact O-N 3.3Å
805S95.2Very high92.7Very high0 Ų033.8 Ų33.80%017%0.171CC..G310 helixtrans-62.4-8.8174.4-1610000114Q802 L803 L807 L808 T809Q802-S805 WeakPolarHBondContact O-CB 3.49Å; Q802-S805 PolarHBondContact O-N 3.41Å; L803-S805 PolarHBondContact O-N 2.95Å; L803-S805 VanDerWaalsContact O-N 3.15Å; S805-L807 PolarHBondContact O-N 2.93Å; S805-L808 WeakPolarHBondContact O-CA 3.41Å; S805-L808 WeakPolarHBondContact O-CB 3.28Å; S805-L808 PolarHBondContact O-N 3.31Å; S805-T809 PolarHBondContact O-N 3.38Å; S805-T809 PolarHBondContact O-OG1 3.35Å; S805-T809 VanDerWaalsContact O-OG1 3.07Å
806I94.7Very high92.6Very high2 Ų229.9 Ų29.91%0.0115%0.15CC..Hα-helixtrans-56.8-29.3171.8-149.8161.2000112.3M556 W559 I560 L803 E804 L808 T809 G810 L811 F816M556-I806 HydrophobicContact CG-CD1 3.5Å; M556-I806 VanDerWaalsContact CG-CD1 3.5Å; M556-I806 HydrophobicContact CG-CG2 4.14Å; M556-I806 HydrophobicContact SD-CD1 3.84Å; W559-I806 HydrophobicContact CD2-CG2 4.05Å; W559-I806 HydrophobicContact CE3-CG1 4.4Å; W559-I806 HydrophobicContact CE3-CG2 3.66Å; W559-I806 WeakPolarHBondContact CH2-O 3.49Å; W559-I806 HydrophobicContact CZ3-CG1 4.08Å; W559-I806 HydrophobicContact CZ3-CG2 4.09Å; I560-I806 HydrophobicContact CD1-CD1 4.12Å; I560-I806 HydrophobicContact CG1-CD1 4.42Å; L803-I806 VanDerWaalsContact O-CB 3.27Å; L803-I806 WeakPolarHBondContact O-CB 3.48Å; L803-I806 WeakPolarHBondContact O-CG2 3.25Å; L803-I806 PolarHBondContact O-N 3.44Å; E804-I806 PolarHBondContact O-N 3.27Å; I806-L808 VanDerWaalsContact C-N 3.25Å; I806-L808 PolarHBondContact O-N 2.92Å; I806-T809 WeakPolarHBondContact CA-OG1 3.36Å; I806-G810 VanDerWaalsContact O-CA 3.25Å; I806-G810 WeakPolarHBondContact O-CA 3.45Å; I806-G810 PolarHBondContact O-N 2.95Å; I806-L811 HydrophobicContact CD1-CD2 3.38Å; I806-L811 HydrophobicContact CG1-CD2 3.78Å; I806-F816 HydrophobicContact CD1-CD2 4.43Å; I806-F816 HydrophobicContact CD1-CE2 4.11Å; I806-F816 HydrophobicContact CG1-CD2 4.38Å
807L94.6Very high92.5Very high2 Ų228 Ų281%0.0114%0.137CC..Hα-helixtrans-55.1-41.9170.1173.865.5000111.9W559 V609 F657 L770 I771 V774 E804 S805W559-L807 HydrophobicContact CZ2-CD1 4.26Å; W559-L807 VanDerWaalsContact NE1-CD1 3.25Å; V609-L807 HydrophobicContact CG2-CD1 3.77Å; V609-L807 HydrophobicContact CG2-CG 4.01Å; V609-L807 WeakPolarHBondContact CG2-O 3.41Å; V609-L807 PolarHBondContact N-O 3.06Å; F657-L807 HydrophobicContact CB-CD1 4.25Å; L770-L807 HydrophobicContact CD2-CB 4.36Å; L770-L807 HydrophobicContact CD2-CD2 4.27Å; L770-L807 HydrophobicContact CG-CD2 4.2Å; I771-L807 HydrophobicContact CG1-CD2 4.02Å; V774-L807 HydrophobicContact CB-CD2 4.32Å; V774-L807 HydrophobicContact CG2-CD2 4.16Å; E804-L807 PolarHBondContact O-N 3.3Å; S805-L807 PolarHBondContact O-N 2.93Å
808L95.5Very high92.5Very high1 Ų130.9 Ų30.91%0.00515%0.152CC..Hα-helixtrans-84.5-45.4-175.9-59-180000112.1G608 V609 I610 L770 V774 L790 T793 C794 S805 I806G608-L808 CarbonylContact C-O 3.58Å; G608-L808 WeakPolarHBondContact CA-O 3.46Å; V609-L808 HydrophobicContact CB-CD2 4.18Å; V609-L808 HydrophobicContact CG1-CD2 4.33Å; V609-L808 PolarHBondContact N-O 2.92Å; I610-L808 HydrophobicContact CD1-CB 4.24Å; I610-L808 HydrophobicContact CG1-CB 4.45Å; I610-L808 PolarHBondContact N-O 2.78Å; L770-L808 HydrophobicContact CD1-CD1 4.32Å; L770-L808 HydrophobicContact CD2-CD1 4.08Å; L770-L808 HydrophobicContact CD2-CG 4.04Å; V774-L808 HydrophobicContact CG2-CD2 3.87Å; L790-L808 HydrophobicContact CD2-CD2 3.75Å; T793-L808 HydrophobicContact CG2-CD1 4.14Å; C794-L808 HydrophobicContact CB-CB 4.15Å; C794-L808 HydrophobicContact CB-CD1 3.81Å; S805-L808 WeakPolarHBondContact O-CA 3.41Å; S805-L808 WeakPolarHBondContact O-CB 3.28Å; S805-L808 PolarHBondContact O-N 3.31Å; I806-L808 VanDerWaalsContact C-N 3.25Å; I806-L808 PolarHBondContact O-N 2.92Å
809T93.6Very high92.5Very high9 Ų930.5 Ų30.56%0.05515%0.15CC..Hα-helixtrans-81.2-26.7-174.357.60000113.2C794 V798 S805 I806 S813 D815C794-T809 VanDerWaalsContact SG-CG2 3.53Å; V798-T809 HydrophobicContact CG2-CG2 3.71Å; S805-T809 PolarHBondContact O-N 3.38Å; S805-T809 PolarHBondContact O-OG1 3.35Å; S805-T809 VanDerWaalsContact O-OG1 3.07Å; I806-T809 WeakPolarHBondContact CA-OG1 3.36Å; T809-S813 VanDerWaalsContact O-CB 3.32Å; T809-S813 WeakPolarHBondContact O-CB 3.48Å; T809-S813 PolarHBondContact O-OG 3.12Å; T809-D815 HydrophobicContact CG2-CB 3.54Å
810G91.7Very high92.6Very high0 Ų023.4 Ų23.40%012%0.117CC..BIsolated β-bridgetrans67.9-162.6-166.600000112G606 G608 I806 F816G606-G810 CarbonylContact O-C 3.49Å; G606-G810 WeakPolarHBondContact O-CA 3.4Å; G608-G810 VanDerWaalsContact CA-N 3.34Å; I806-G810 VanDerWaalsContact O-CA 3.25Å; I806-G810 WeakPolarHBondContact O-CA 3.45Å; I806-G810 PolarHBondContact O-N 2.95Å; G810-F816 WeakPolarHBondContact O-CB 3.4Å; G810-F816 WeakPolarHBondContact O-CD2 3.42Å
811L88.9Confident92.8Very high3 Ų319 Ų192%0.01610%0.102CC..SBendtrans-102.7-5.6178.2-63.5173.7000112.5W559 I560 G606 I806 F816 V836 A840 L843 V914W559-L811 HydrophobicContact CZ3-CG 4.47Å; I560-L811 HydrophobicContact CD1-CD2 4.25Å; I560-L811 HydrophobicContact CG1-CD1 4.37Å; I560-L811 HydrophobicContact CG1-CD2 4.44Å; G606-L811 PolarHBondContact O-N 2.82Å; I806-L811 HydrophobicContact CD1-CD2 3.38Å; I806-L811 HydrophobicContact CG1-CD2 3.78Å; L811-F816 HydrophobicContact CD2-CD2 4.25Å; L811-F816 HydrophobicContact CD2-CE2 3.73Å; L811-F816 HydrophobicContact CD2-CZ 4.17Å; L811-F816 VanDerWaalsContact O-CD1 3.25Å; L811-F816 WeakPolarHBondContact O-CD1 3.5Å; L811-V836 HydrophobicContact CD2-CG2 4.42Å; L811-A840 HydrophobicContact CB-CB 3.99Å; L811-A840 WeakPolarHBondContact O-CB 3.4Å; L811-L843 HydrophobicContact CD1-CD1 3.31Å; L811-V914 WeakPolarHBondContact O-CG2 3.45Å
812C81.4Confident92.9Very high17 Ų1721 Ų2112%0.11511%0.112CC..SBendtrans-129.836.2-164.6-62.40000113.8F604 G606 S844 V914F604-C812 HydrophobicContact CD1-CB 4.14Å; F604-C812 HydrophobicContact CE1-CB 4.13Å; F604-C812 WeakPolarHBondContact CE1-SG 3.43Å; G606-C812 PolarHBondContact O-N 2.93Å; C812-S844 PolarHBondContact SG-OG 3.03Å; C812-V914 HydrophobicContact CB-CG2 3.91Å; C812-V914 WeakPolarHBondContact SG-CG2 3.49Å
813S85.3Confident93Very high28 Ų2819.5 Ų19.520%0.19611%0.105CC..SBendtrans-125.7163.8179.464.80000112.2T809 D815 F816 I817T809-S813 VanDerWaalsContact O-CB 3.32Å; T809-S813 WeakPolarHBondContact O-CB 3.48Å; T809-S813 PolarHBondContact O-OG 3.12Å; S813-D815 PolarHBondContact O-N 3.28Å; S813-F816 WeakPolarHBondContact O-CB 3.48Å; S813-F816 PolarHBondContact O-N 3.49Å; S813-F816 PolarHBondContact OG-N 3.21Å; S813-I817 PolarHBondContact O-N 3.4Å
814N86.9Confident92.9Very high84 Ų8420.5 Ų20.545%0.44911%0.111SC..Hα-helixtrans-62.3-35.8168.7-78.4-52.1000111.3F816 I817 N818 L917N814-F816 VanDerWaalsContact C-N 3.3Å; N814-F816 PolarHBondContact O-N 3.17Å; N814-I817 PolarHBondContact O-N 3.05Å; N814-I817 VanDerWaalsContact O-N 3.16Å; N814-N818 PolarHBondContact O-N 3.38Å; N814-N818 PolarHBondContact O-ND2 3.47Å; N814-L917 WeakPolarHBondContact OD1-CD2 2.98Å
815D92.4Very high92.7Very high59 Ų5923.9 Ų23.932%0.31613%0.13SC..Hα-helixtrans-65.2-35.3179.6-62.3-35.2000111.4V798 T809 S813 N818 L819V798-D815 HydrophobicContact CG2-CB 4.3Å; T809-D815 HydrophobicContact CG2-CB 3.54Å; S813-D815 PolarHBondContact O-N 3.28Å; D815-N818 PolarHBondContact O-N 3.15Å; D815-L819 WeakPolarHBondContact O-CB 3.43Å; D815-L819 PolarHBondContact O-N 2.93Å
816F93.9Very high92.5Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-59.5-48169.7168.2-105000112I806 G810 L811 S813 N814 N818 L819 I820 V836 A840I806-F816 HydrophobicContact CD1-CD2 4.43Å; I806-F816 HydrophobicContact CD1-CE2 4.11Å; I806-F816 HydrophobicContact CG1-CD2 4.38Å; G810-F816 WeakPolarHBondContact O-CB 3.4Å; G810-F816 WeakPolarHBondContact O-CD2 3.42Å; L811-F816 HydrophobicContact CD2-CD2 4.25Å; L811-F816 HydrophobicContact CD2-CE2 3.73Å; L811-F816 HydrophobicContact CD2-CZ 4.17Å; L811-F816 VanDerWaalsContact O-CD1 3.25Å; L811-F816 WeakPolarHBondContact O-CD1 3.5Å; S813-F816 WeakPolarHBondContact O-CB 3.48Å; S813-F816 PolarHBondContact O-N 3.49Å; S813-F816 PolarHBondContact OG-N 3.21Å; N814-F816 VanDerWaalsContact C-N 3.3Å; N814-F816 PolarHBondContact O-N 3.17Å; F816-N818 VanDerWaalsContact C-N 3.28Å; F816-N818 PolarHBondContact O-N 3.46Å; F816-L819 WeakPolarHBondContact O-CB 3.2Å; F816-L819 PolarHBondContact O-N 3.44Å; F816-I820 HydrophobicContact CD2-CD1 4.49Å; F816-I820 HydrophobicContact CD2-CG1 4.07Å; F816-I820 HydrophobicContact CE1-CG1 4.42Å; F816-I820 HydrophobicContact CE2-CD1 3.92Å; F816-I820 HydrophobicContact CE2-CG1 3.61Å; F816-I820 HydrophobicContact CZ-CD1 4.45Å; F816-I820 HydrophobicContact CZ-CG1 3.81Å; F816-I820 WeakPolarHBondContact O-CG1 3.3Å; F816-I820 PolarHBondContact O-N 3.06Å; F816-V836 HydrophobicContact CE2-CG2 4.27Å; F816-V836 HydrophobicContact CZ-CG1 4.29Å; F816-V836 HydrophobicContact CZ-CG2 4.25Å; F816-A840 HydrophobicContact CE1-CB 3.83Å; F816-A840 HydrophobicContact CZ-CB 3.96Å
817I93.2Very high92.2Very high5 Ų531.2 Ų31.23%0.02618%0.175CC..Hα-helixtrans-63.4-37179.2-61.3-64.3000111.4S813 N814 Q821 K921 I922 W925S813-I817 PolarHBondContact O-N 3.4Å; N814-I817 PolarHBondContact O-N 3.05Å; N814-I817 VanDerWaalsContact O-N 3.16Å; I817-Q821 WeakPolarHBondContact O-CB 3.37Å; I817-Q821 PolarHBondContact O-N 2.87Å; I817-Q821 VanDerWaalsContact O-N 3.09Å; I817-K921 HydrophobicContact CG2-CB 4.36Å; I817-K921 HydrophobicContact CG2-CD 3.45Å; I817-K921 VanDerWaalsContact CG2-CD 3.45Å; I817-I922 HydrophobicContact CD1-CD1 3.81Å; I817-I922 HydrophobicContact CD1-CG1 4.11Å; I817-W925 HydrophobicContact CG2-CH2 4.34Å
818N94.5Very high91.9Very high65 Ų6532.7 Ų32.735%0.34819%0.191SC..Hα-helixtrans-71.4-38.9175.5-68.1-27.2000112V798 N814 D815 F816 Q821 N822V798-N818 HydrophobicContact CG1-CB 3.91Å; N814-N818 PolarHBondContact O-N 3.38Å; N814-N818 PolarHBondContact O-ND2 3.47Å; D815-N818 PolarHBondContact O-N 3.15Å; F816-N818 VanDerWaalsContact C-N 3.28Å; F816-N818 PolarHBondContact O-N 3.46Å; N818-Q821 PolarHBondContact O-N 3.41Å; N818-N822 WeakPolarHBondContact O-CB 3.29Å; N818-N822 VanDerWaalsContact O-CG 3.25Å; N818-N822 PolarHBondContact O-N 2.93Å; N818-N822 PolarHBondContact O-ND2 3.37Å
819L97Very high91.9Very high0 Ų032.8 Ų32.80%019%0.192CC..Hα-helixtrans-57.2-51.5175.3171.363.1000110.5V798 Q802 L803 D815 F816 Q821 N822 Y823V798-L819 HydrophobicContact CG1-CB 4.39Å; V798-L819 HydrophobicContact CG2-CB 4.25Å; Q802-L819 VanDerWaalsContact O-CD1 3.3Å; Q802-L819 WeakPolarHBondContact O-CD1 3Å; L803-L819 HydrophobicContact CD2-CG 4.49Å; D815-L819 WeakPolarHBondContact O-CB 3.43Å; D815-L819 PolarHBondContact O-N 2.93Å; F816-L819 WeakPolarHBondContact O-CB 3.2Å; F816-L819 PolarHBondContact O-N 3.44Å; L819-Q821 PolarHBondContact O-N 2.85Å; L819-N822 PolarHBondContact O-N 3.39Å; L819-Y823 WeakPolarHBondContact O-CB 3.11Å; L819-Y823 PolarHBondContact O-N 2.96Å
820I96.6Very high92Very high1 Ų133 Ų331%0.00519%0.193CC..Hα-helixtrans-66.4-37.8179.8-59.4-52.6000111.3L803 F816 Y823 V824 A833 V836 W925L803-I820 HydrophobicContact CD2-CD1 3.73Å; F816-I820 HydrophobicContact CD2-CD1 4.49Å; F816-I820 HydrophobicContact CD2-CG1 4.07Å; F816-I820 HydrophobicContact CE1-CG1 4.42Å; F816-I820 HydrophobicContact CE2-CD1 3.92Å; F816-I820 HydrophobicContact CE2-CG1 3.61Å; F816-I820 HydrophobicContact CZ-CD1 4.45Å; F816-I820 HydrophobicContact CZ-CG1 3.81Å; F816-I820 WeakPolarHBondContact O-CG1 3.3Å; F816-I820 PolarHBondContact O-N 3.06Å; I820-Y823 PolarHBondContact O-N 3.37Å; I820-V824 WeakPolarHBondContact O-CG2 3.25Å; I820-V824 PolarHBondContact O-N 3.17Å; I820-A833 HydrophobicContact CG2-CB 3.41Å; I820-A833 VanDerWaalsContact CG2-CB 3.41Å; I820-V836 HydrophobicContact CD1-CG1 3.79Å; I820-V836 HydrophobicContact CG1-CG1 4.1Å; I820-V836 HydrophobicContact CG2-CG1 4.42Å; I820-W925 HydrophobicContact CB-CH2 3.65Å; I820-W925 HydrophobicContact CB-CZ2 4.35Å; I820-W925 HydrophobicContact CB-CZ3 3.94Å; I820-W925 HydrophobicContact CG2-CD2 4.44Å; I820-W925 HydrophobicContact CG2-CE3 3.94Å; I820-W925 HydrophobicContact CG2-CH2 3.48Å; I820-W925 VanDerWaalsContact CG2-CH2 3.48Å; I820-W925 HydrophobicContact CG2-CZ2 4Å; I820-W925 HydrophobicContact CG2-CZ3 3.44Å; I820-W925 VanDerWaalsContact CG2-CZ3 3.44Å
821Q95.4Very high92.2Very high42 Ų4233 Ų3320%0.19619%0.193CC..Hα-helixtrans-61.2-47.9174.5-176.361.356.300111.9I817 N818 L819 Y823 V824 D825 W925I817-Q821 WeakPolarHBondContact O-CB 3.37Å; I817-Q821 PolarHBondContact O-N 2.87Å; I817-Q821 VanDerWaalsContact O-N 3.09Å; N818-Q821 PolarHBondContact O-N 3.41Å; L819-Q821 PolarHBondContact O-N 2.85Å; Q821-Y823 VanDerWaalsContact C-N 3.3Å; Q821-Y823 PolarHBondContact O-N 2.97Å; Q821-V824 PolarHBondContact O-N 3.01Å; Q821-D825 PolarHBondContact NE2-OD1 3.04Å; Q821-D825 PolarHBondContact NE2-OD2 3.26Å; Q821-D825 PolarHBondContact O-N 3.25Å; Q821-W925 HydrophobicContact CB-CZ2 4.08Å
822N95.3Very high92.5Very high43 Ų4333 Ų3323%0.2319%0.193CC..Hα-helixtrans-67.5-33.2-179.5-67.2-21.4000111.8V798 N818 L819 D825 T826V798-N822 WeakPolarHBondContact O-CB 3.37Å; V798-N822 PolarHBondContact O-ND2 3.09Å; N818-N822 WeakPolarHBondContact O-CB 3.29Å; N818-N822 VanDerWaalsContact O-CG 3.25Å; N818-N822 PolarHBondContact O-N 2.93Å; N818-N822 PolarHBondContact O-ND2 3.37Å; L819-N822 PolarHBondContact O-N 3.39Å; N822-D825 PolarHBondContact O-N 3.4Å; N822-T826 WeakPolarHBondContact O-CB 3.32Å; N822-T826 PolarHBondContact O-N 3.25Å; N822-T826 VanDerWaalsContact O-N 3.1Å; N822-T826 PolarHBondContact O-OG1 3.02Å
823Y96.5Very high93.2Very high8 Ų832.1 Ų32.13%0.03119%0.187CC..Hα-helixtrans-59.9-51170.1174.5-100.1000110.9L803 L819 I820 Q821 D825 T826 T827 D829L803-Y823 HydrophobicContact CD1-CD1 4.47Å; L803-Y823 HydrophobicContact CD1-CD2 3.83Å; L803-Y823 HydrophobicContact CD1-CE1 4.23Å; L803-Y823 HydrophobicContact CD1-CE2 3.55Å; L803-Y823 HydrophobicContact CD1-CG 4.28Å; L803-Y823 HydrophobicContact CD2-CD1 4.25Å; L803-Y823 HydrophobicContact CD2-CD2 3.78Å; L803-Y823 HydrophobicContact CD2-CE2 4.38Å; L803-Y823 HydrophobicContact CD2-CG 3.7Å; L803-Y823 HydrophobicContact CG-CD2 3.64Å; L803-Y823 HydrophobicContact CG-CE2 3.86Å; L803-Y823 HydrophobicContact CG-CG 4.09Å; L819-Y823 WeakPolarHBondContact O-CB 3.11Å; L819-Y823 PolarHBondContact O-N 2.96Å; I820-Y823 PolarHBondContact O-N 3.37Å; Q821-Y823 VanDerWaalsContact C-N 3.3Å; Q821-Y823 PolarHBondContact O-N 2.97Å; Y823-D825 VanDerWaalsContact C-N 3.33Å; Y823-D825 PolarHBondContact O-N 2.85Å; Y823-T826 PolarHBondContact O-N 2.93Å; Y823-T826 VanDerWaalsContact O-N 3.12Å; Y823-T827 HydrophobicContact CD2-CG2 3.88Å; Y823-T827 HydrophobicContact CE2-CG2 3.6Å; Y823-T827 PolarHBondContact O-N 2.81Å; Y823-T827 PolarHBondContact O-OG1 3.47Å; Y823-D829 HydrophobicContact CE1-CB 3.81Å; Y823-D829 PolarHBondContact OH-OD2 2.99Å
824V94.7Very high93.5Very high22 Ų2230.8 Ų30.813%0.13318%0.178CC..Hα-helixtrans-60.9-40.8177.11740000111.8I820 Q821 T826 G828 A833I820-V824 WeakPolarHBondContact O-CG2 3.25Å; I820-V824 PolarHBondContact O-N 3.17Å; Q821-V824 PolarHBondContact O-N 3.01Å; V824-T826 PolarHBondContact O-N 3.11Å; V824-G828 VanDerWaalsContact O-CA 3.27Å; V824-G828 WeakPolarHBondContact O-CA 3.04Å; V824-G828 PolarHBondContact O-N 2.63Å; V824-A833 HydrophobicContact CG2-CB 3.36Å
825D90.6Very high93.8Very high110 Ų11026.8 Ų26.859%0.58816%0.157SC*.Hα-helixtrans-64.8-26.3179.2-68.4-18.2000112.3Q821 N822 Y823Q821-D825 PolarHBondContact NE2-OD1 3.04Å; Q821-D825 PolarHBondContact NE2-OD2 3.26Å; Q821-D825 PolarHBondContact O-N 3.25Å; N822-D825 PolarHBondContact O-N 3.4Å; Y823-D825 VanDerWaalsContact C-N 3.33Å; Y823-D825 PolarHBondContact O-N 2.85Å
826T89Confident93.8Very high104 Ų10424 Ų2464%0.63814%0.142SC*.Hα-helixtrans-91.8-39.2-179.7-52.70000112.6N822 Y823 V824N822-T826 WeakPolarHBondContact O-CB 3.32Å; N822-T826 PolarHBondContact O-N 3.25Å; N822-T826 VanDerWaalsContact O-N 3.1Å; N822-T826 PolarHBondContact O-OG1 3.02Å; Y823-T826 PolarHBondContact O-N 2.93Å; Y823-T826 VanDerWaalsContact O-N 3.12Å; V824-T826 PolarHBondContact O-N 3.11Å
827T89Confident93.6Very high52 Ų5224 Ų2432%0.31914%0.142SC..Hα-helixtrans-105.9-26-171.966.70000114.1Y823 D829Y823-T827 HydrophobicContact CD2-CG2 3.88Å; Y823-T827 HydrophobicContact CE2-CG2 3.6Å; Y823-T827 PolarHBondContact O-N 2.81Å; Y823-T827 PolarHBondContact O-OG1 3.47Å; T827-D829 PolarHBondContact O-N 2.77Å; T827-D829 WeakPolarHBondContact OG1-CB 3.47Å; T827-D829 PolarHBondContact OG1-N 3.39Å; T827-D829 VanDerWaalsContact OG1-N 3.1Å
828G89.6Confident93.3Very high34 Ų3423.9 Ų23.935%0.35114%0.141SC..  trans73.22.4-168.400000114.7V824 V830V824-G828 VanDerWaalsContact O-CA 3.27Å; V824-G828 WeakPolarHBondContact O-CA 3.04Å; V824-G828 PolarHBondContact O-N 2.63Å; G828-V830 VanDerWaalsContact C-N 3.28Å; G828-V830 PolarHBondContact O-N 3.13Å
829D94.9Very high92.8Very high3 Ų322.2 Ų22.22%0.01613%0.131CC..  trans-77.376.2-177.4-175.81.2000111.7V522 R529 Y823 T827 Q831 S832 A833V522-D829 HydrophobicContact CG2-CB 4Å; R529-D829 IonicContact NH1-OD2 3.58Å; R529-D829 PolarHBondContact NH1-OD2 3.14Å; Y823-D829 HydrophobicContact CE1-CB 3.81Å; Y823-D829 PolarHBondContact OH-OD2 2.99Å; T827-D829 PolarHBondContact O-N 2.77Å; T827-D829 WeakPolarHBondContact OG1-CB 3.47Å; T827-D829 PolarHBondContact OG1-N 3.39Å; T827-D829 VanDerWaalsContact OG1-N 3.1Å; D829-Q831 VanDerWaalsContact C-N 3.27Å; D829-Q831 PolarHBondContact O-N 3.33Å; D829-Q831 WeakPolarHBondContact OD1-CB 3.36Å; D829-Q831 PolarHBondContact OD1-N 3.44Å; D829-S832 VanDerWaalsContact CG-OG 3.28Å; D829-S832 PolarHBondContact OD1-N 2.91Å; D829-S832 PolarHBondContact OD1-OG 3.35Å; D829-S832 VanDerWaalsContact OD2-CB 3.31Å; D829-S832 WeakPolarHBondContact OD2-CB 3.45Å; D829-S832 PolarHBondContact OD2-OG 2.82Å; D829-A833 PolarHBondContact O-N 3.47Å
830V94.7Very high92.3Very high13 Ų1322.2 Ų22.28%0.07913%0.131CC..Hα-helixtrans-72.1-21.5177.574.90000112.6M526 G828 A833 A834 W925 C928 L932M526-V830 HydrophobicContact SD-CG1 4.24Å; G828-V830 VanDerWaalsContact C-N 3.28Å; G828-V830 PolarHBondContact O-N 3.13Å; V830-A833 PolarHBondContact O-N 3.3Å; V830-A834 WeakPolarHBondContact O-CB 3.45Å; V830-A834 PolarHBondContact O-N 2.95Å; V830-W925 HydrophobicContact CG2-CB 3.92Å; V830-W925 HydrophobicContact CG2-CG 4.38Å; V830-W925 WeakPolarHBondContact CG2-O 3.44Å; V830-C928 HydrophobicContact CG1-CB 4.33Å; V830-C928 HydrophobicContact CG2-CB 3.75Å; V830-L932 HydrophobicContact CG1-CD1 3.61Å
831Q95.6Very high91.4Very high0 Ų022.2 Ų22.20%013%0.131CC..Hα-helixtrans-61.4-54.4174.7170.8-174.76100110.2M526 Y534 D829 A833 A834 I835 Y929M526-Q831 VanDerWaalsContact CA-OE1 3.3Å; M526-Q831 HydrophobicContact CB-CB 4.31Å; M526-Q831 HydrophobicContact CG-CB 3.75Å; M526-Q831 PolarHBondContact O-NE2 3.13Å; M526-Q831 PolarHBondContact O-OE1 2.89Å; M526-Q831 HydrophobicContact SD-CB 3.63Å; Y534-Q831 HydrophobicContact CD1-CG 3.89Å; Y534-Q831 HydrophobicContact CE1-CG 4.09Å; D829-Q831 VanDerWaalsContact C-N 3.27Å; D829-Q831 PolarHBondContact O-N 3.33Å; D829-Q831 WeakPolarHBondContact OD1-CB 3.36Å; D829-Q831 PolarHBondContact OD1-N 3.44Å; Q831-A833 VanDerWaalsContact C-N 3.3Å; Q831-A833 PolarHBondContact O-N 2.9Å; Q831-A834 PolarHBondContact O-N 3.32Å; Q831-I835 HydrophobicContact CG-CD1 3.7Å; Q831-I835 WeakPolarHBondContact O-CD1 3.11Å; Q831-I835 VanDerWaalsContact O-CG1 3.31Å; Q831-I835 WeakPolarHBondContact O-CG1 3.48Å; Q831-I835 PolarHBondContact O-N 2.77Å; Q831-Y929 HydrophobicContact CB-CD2 3.69Å; Q831-Y929 HydrophobicContact CB-CE2 3.57Å; Q831-Y929 HydrophobicContact CB-CG 4.32Å; Q831-Y929 HydrophobicContact CG-CD2 4.15Å; Q831-Y929 HydrophobicContact CG-CE1 4.17Å; Q831-Y929 HydrophobicContact CG-CE2 3.58Å; Q831-Y929 PolarHBondContact NE2-OH 2.9Å
832S96Very high90.5Very high2 Ų222.5 Ų22.51%0.01413%0.133CC..Hα-helixtrans-60.6-41178.8-67.60000111.7Y534 L553 D829 I835 V836Y534-S832 WeakPolarHBondContact CE1-OG 3.43Å; Y534-S832 PolarHBondContact OH-OG 2.9Å; Y534-S832 VanDerWaalsContact OH-OG 3.06Å; L553-S832 WeakPolarHBondContact CD1-OG 3.28Å; D829-S832 VanDerWaalsContact CG-OG 3.28Å; D829-S832 PolarHBondContact OD1-N 2.91Å; D829-S832 PolarHBondContact OD1-OG 3.35Å; D829-S832 VanDerWaalsContact OD2-CB 3.31Å; D829-S832 WeakPolarHBondContact OD2-CB 3.45Å; D829-S832 PolarHBondContact OD2-OG 2.82Å; S832-I835 PolarHBondContact O-N 3.46Å; S832-V836 WeakPolarHBondContact O-CB 3.36Å; S832-V836 VanDerWaalsContact O-CG1 3.25Å; S832-V836 WeakPolarHBondContact O-CG1 3.5Å; S832-V836 PolarHBondContact O-N 3.26Å
833A95.4Very high89.4Confident0 Ų020.8 Ų20.80%012%0.123CC..Hα-helixtrans-61.7-43.4177.200000113.2I820 V824 D829 V830 Q831 G837 W925I820-A833 HydrophobicContact CG2-CB 3.41Å; I820-A833 VanDerWaalsContact CG2-CB 3.41Å; V824-A833 HydrophobicContact CG2-CB 3.36Å; D829-A833 PolarHBondContact O-N 3.47Å; V830-A833 PolarHBondContact O-N 3.3Å; Q831-A833 VanDerWaalsContact C-N 3.3Å; Q831-A833 PolarHBondContact O-N 2.9Å; A833-G837 PolarHBondContact O-N 2.8Å; A833-W925 HydrophobicContact CB-CB 4.34Å; A833-W925 HydrophobicContact CB-CD2 4Å; A833-W925 HydrophobicContact CB-CE3 4.07Å; A833-W925 HydrophobicContact CB-CG 4.12Å
834A92.9Very high88.2Confident0 Ų020.4 Ų20.40%012%0.122CC..Hα-helixtrans-62.8-48.6176.300000111.4V830 Q831 G837 L838 W925 V926 Y929V830-A834 WeakPolarHBondContact O-CB 3.45Å; V830-A834 PolarHBondContact O-N 2.95Å; Q831-A834 PolarHBondContact O-N 3.32Å; A834-G837 PolarHBondContact O-N 2.96Å; A834-L838 WeakPolarHBondContact O-CB 3.35Å; A834-L838 WeakPolarHBondContact O-CD1 3.18Å; A834-L838 VanDerWaalsContact O-CG 3.28Å; A834-L838 WeakPolarHBondContact O-CG 3.3Å; A834-L838 PolarHBondContact O-N 3.36Å; A834-W925 HydrophobicContact CB-CB 4.37Å; A834-V926 HydrophobicContact CB-CG2 3.97Å; A834-Y929 HydrophobicContact CB-CD1 4.4Å
835I92.6Very high86.8Confident0 Ų021.3 Ų21.30%013%0.126CC..Hα-helixtrans-65.1-50.5-177.3-65.6162.2000110.9Y534 G535 Y543 W557 Q831 S832 G837 L838 H839 F945Y534-I835 HydrophobicContact CD1-CD1 3.62Å; Y534-I835 HydrophobicContact CD2-CD1 4.48Å; Y534-I835 HydrophobicContact CE1-CD1 3.68Å; Y534-I835 HydrophobicContact CG-CD1 4.05Å; G535-I835 VanDerWaalsContact CA-CD1 3.44Å; Y543-I835 HydrophobicContact CE2-CG2 4.03Å; W557-I835 HydrophobicContact CH2-CG2 3.97Å; W557-I835 HydrophobicContact CZ2-CG2 3.87Å; Q831-I835 HydrophobicContact CG-CD1 3.7Å; Q831-I835 WeakPolarHBondContact O-CD1 3.11Å; Q831-I835 VanDerWaalsContact O-CG1 3.31Å; Q831-I835 WeakPolarHBondContact O-CG1 3.48Å; Q831-I835 PolarHBondContact O-N 2.77Å; S832-I835 PolarHBondContact O-N 3.46Å; I835-G837 VanDerWaalsContact C-N 3.32Å; I835-G837 PolarHBondContact O-N 2.82Å; I835-L838 PolarHBondContact O-N 3.24Å; I835-H839 WeakPolarHBondContact O-CB 3.24Å; I835-H839 PolarHBondContact O-N 3.31Å; I835-F945 HydrophobicContact CG1-CE2 4.28Å
836V91.9Very high85.6Confident1 Ų119.9 Ų19.91%0.00612%0.118CC..Hα-helixtrans-65.8-36.5-179.875.90000111.6M556 W557 I560 L811 F816 I820 S832 H839 A840M556-V836 HydrophobicContact CE-CB 4.27Å; M556-V836 HydrophobicContact CE-CG2 4.01Å; M556-V836 HydrophobicContact SD-CG2 3.96Å; W557-V836 HydrophobicContact CZ2-CB 4.48Å; I560-V836 HydrophobicContact CD1-CG2 4.06Å; L811-V836 HydrophobicContact CD2-CG2 4.42Å; F816-V836 HydrophobicContact CE2-CG2 4.27Å; F816-V836 HydrophobicContact CZ-CG1 4.29Å; F816-V836 HydrophobicContact CZ-CG2 4.25Å; I820-V836 HydrophobicContact CD1-CG1 3.79Å; I820-V836 HydrophobicContact CG1-CG1 4.1Å; I820-V836 HydrophobicContact CG2-CG1 4.42Å; S832-V836 WeakPolarHBondContact O-CB 3.36Å; S832-V836 VanDerWaalsContact O-CG1 3.25Å; S832-V836 WeakPolarHBondContact O-CG1 3.5Å; S832-V836 PolarHBondContact O-N 3.26Å; V836-H839 PolarHBondContact O-N 3.21Å; V836-A840 WeakPolarHBondContact O-CB 3.18Å; V836-A840 PolarHBondContact O-N 3.37Å
837G90Very high84.3Confident0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-63.4-42.8175.100000112.5A833 A834 I835 A840 C841A833-G837 PolarHBondContact O-N 2.8Å; A834-G837 PolarHBondContact O-N 2.96Å; I835-G837 VanDerWaalsContact C-N 3.32Å; I835-G837 PolarHBondContact O-N 2.82Å; G837-A840 PolarHBondContact O-N 2.79Å; G837-C841 PolarHBondContact O-N 2.72Å; G837-C841 PolarHBondContact O-SG 2.86Å; G837-C841 VanDerWaalsContact O-SG 3.37Å
838L87.2Confident82.6Confident1 Ų115.9 Ų15.91%0.0059%0.091CC..Hα-helixtrans-67.1-37.7175.2-74164.8000112.2A834 I835 C841 Q842 V926 F945 Y949 R952A834-L838 WeakPolarHBondContact O-CB 3.35Å; A834-L838 WeakPolarHBondContact O-CD1 3.18Å; A834-L838 VanDerWaalsContact O-CG 3.28Å; A834-L838 WeakPolarHBondContact O-CG 3.3Å; A834-L838 PolarHBondContact O-N 3.36Å; I835-L838 PolarHBondContact O-N 3.24Å; L838-C841 WeakPolarHBondContact O-CB 3.42Å; L838-C841 PolarHBondContact O-N 3.31Å; L838-Q842 PolarHBondContact O-N 2.9Å; L838-Q842 VanDerWaalsContact O-N 3.08Å; L838-V926 HydrophobicContact CD1-CG2 3.63Å; L838-V926 HydrophobicContact CD2-CG2 4.13Å; L838-V926 HydrophobicContact CG-CG2 3.79Å; L838-F945 HydrophobicContact CD1-CE1 4.49Å; L838-F945 HydrophobicContact CD1-CE2 4.15Å; L838-F945 HydrophobicContact CD1-CZ 3.63Å; L838-Y949 HydrophobicContact CB-CD1 3.59Å; L838-Y949 HydrophobicContact CB-CE1 3.64Å; L838-Y949 HydrophobicContact CD1-CD1 3.58Å; L838-Y949 HydrophobicContact CD1-CD2 4.04Å; L838-Y949 HydrophobicContact CD1-CE1 3.98Å; L838-Y949 HydrophobicContact CD1-CE2 4.41Å; L838-Y949 HydrophobicContact CD1-CG 3.67Å; L838-Y949 HydrophobicContact CD2-CD1 4.26Å; L838-Y949 HydrophobicContact CG-CD1 4.01Å; L838-Y949 HydrophobicContact CG-CE1 4.4Å; L838-R952 HydrophobicContact CD2-CB 4.49Å
839H84.9Confident80.5Confident30 Ų3022.5 Ų22.514%0.13911%0.107CC..Hα-helixtrans-65-42.2174.7-168-86.9000111.8W557 I560 I835 V836 C841 Q842 L843W557-H839 HydrophobicContact CH2-CB 4.46Å; I560-H839 WeakPolarHBondContact CG2-CE1 3.46Å; I835-H839 WeakPolarHBondContact O-CB 3.24Å; I835-H839 PolarHBondContact O-N 3.31Å; V836-H839 PolarHBondContact O-N 3.21Å; H839-C841 VanDerWaalsContact C-N 3.35Å; H839-C841 PolarHBondContact O-N 3.38Å; H839-Q842 WeakPolarHBondContact O-CB 3.43Å; H839-Q842 PolarHBondContact O-N 3.45Å; H839-L843 PolarHBondContact O-N 3.44Å
840A84.6Confident78.1Confident0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-60.8-41.5174.200000112.5L811 F816 V836 G837 Q842 S844 V914L811-A840 HydrophobicContact CB-CB 3.99Å; L811-A840 WeakPolarHBondContact O-CB 3.4Å; F816-A840 HydrophobicContact CE1-CB 3.83Å; F816-A840 HydrophobicContact CZ-CB 3.96Å; V836-A840 WeakPolarHBondContact O-CB 3.18Å; V836-A840 PolarHBondContact O-N 3.37Å; G837-A840 PolarHBondContact O-N 2.79Å; A840-Q842 VanDerWaalsContact C-N 3.33Å; A840-Q842 PolarHBondContact O-N 2.84Å; A840-S844 WeakPolarHBondContact O-CB 3.4Å; A840-S844 PolarHBondContact O-N 2.76Å; A840-S844 VanDerWaalsContact O-N 3.07Å; A840-S844 PolarHBondContact O-OG 3.27Å; A840-V914 HydrophobicContact CB-CG2 4.49Å
841C79.2Confident75.3Confident2 Ų228.7 Ų28.71%0.01414%0.141CC..Hα-helixtrans-60.3-41.6173.1-73.50000112.2G837 L838 H839 S844 L845G837-C841 PolarHBondContact O-N 2.72Å; G837-C841 PolarHBondContact O-SG 2.86Å; G837-C841 VanDerWaalsContact O-SG 3.37Å; L838-C841 WeakPolarHBondContact O-CB 3.42Å; L838-C841 PolarHBondContact O-N 3.31Å; H839-C841 VanDerWaalsContact C-N 3.35Å; H839-C841 PolarHBondContact O-N 3.38Å; C841-S844 WeakPolarHBondContact O-CB 3.47Å; C841-S844 PolarHBondContact O-N 3.17Å; C841-L845 WeakPolarHBondContact O-CG 3.39Å; C841-L845 PolarHBondContact O-N 2.88Å; C841-L845 VanDerWaalsContact O-N 3.16Å
842Q75.7Confident72.6Confident47 Ų4732.8 Ų32.822%0.2217%0.165CC..Hα-helixtrans-65.9-49.4179.6-175.4-172.70.600112.4L838 H839 A840 S844 L845 N846L838-Q842 PolarHBondContact O-N 2.9Å; L838-Q842 VanDerWaalsContact O-N 3.08Å; H839-Q842 WeakPolarHBondContact O-CB 3.43Å; H839-Q842 PolarHBondContact O-N 3.45Å; A840-Q842 VanDerWaalsContact C-N 3.33Å; A840-Q842 PolarHBondContact O-N 2.84Å; Q842-S844 PolarHBondContact O-N 2.88Å; Q842-L845 WeakPolarHBondContact O-CB 3.4Å; Q842-L845 PolarHBondContact O-N 3.46Å; Q842-N846 PolarHBondContact O-N 3.27Å
843L73.6Confident69.6Low7 Ų737.6 Ų37.64%0.03719%0.191CC..Hα-helixtrans-56.4-36.5176-72.5171.9000110.6N564 L811 H839 L845 N846 D847N564-L843 VanDerWaalsContact OD1-CD2 3.24Å; N564-L843 WeakPolarHBondContact OD1-CD2 3.49Å; L811-L843 HydrophobicContact CD1-CD1 3.31Å; H839-L843 PolarHBondContact O-N 3.44Å; L843-L845 VanDerWaalsContact C-N 3.29Å; L843-L845 PolarHBondContact O-N 3.29Å; L843-N846 PolarHBondContact O-N 3.38Å; L843-D847 PolarHBondContact O-N 3.28Å
844S70.2Confident66.8Low0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-66.3-29.4177.3-57.30000114.9F604 C812 A840 C841 Q842 V914F604-S844 WeakPolarHBondContact CZ-O 3.46Å; C812-S844 PolarHBondContact SG-OG 3.03Å; A840-S844 WeakPolarHBondContact O-CB 3.4Å; A840-S844 PolarHBondContact O-N 2.76Å; A840-S844 VanDerWaalsContact O-N 3.07Å; A840-S844 PolarHBondContact O-OG 3.27Å; C841-S844 WeakPolarHBondContact O-CB 3.47Å; C841-S844 PolarHBondContact O-N 3.17Å; Q842-S844 PolarHBondContact O-N 2.88Å; S844-V914 VanDerWaalsContact OG-CG2 3.32Å; S844-V914 WeakPolarHBondContact OG-CG2 3.4Å
845L65.8Low64.1Low42 Ų4249.3 Ų49.322%0.2225%0.254CS..Hα-helixtrans-80.5-39.7178.9-75.4162.6000112C841 Q842 L843 D847 N848 Y849 P912 Y957C841-L845 WeakPolarHBondContact O-CG 3.39Å; C841-L845 PolarHBondContact O-N 2.88Å; C841-L845 VanDerWaalsContact O-N 3.16Å; Q842-L845 WeakPolarHBondContact O-CB 3.4Å; Q842-L845 PolarHBondContact O-N 3.46Å; L843-L845 VanDerWaalsContact C-N 3.29Å; L843-L845 PolarHBondContact O-N 3.29Å; L845-D847 VanDerWaalsContact C-N 3.33Å; L845-D847 PolarHBondContact O-N 3Å; L845-N848 PolarHBondContact O-N 3.22Å; L845-Y849 PolarHBondContact O-N 3.13Å; L845-P912 HydrophobicContact CD2-CG 3.36Å; L845-P912 HydrophobicContact CG-CG 3.81Å; L845-Y957 WeakPolarHBondContact CD2-OH 3.46Å
846N64.7Low61.4Low80 Ų8057.8 Ų57.843%0.42829%0.291SS..Hα-helixtrans-63.5-38.9-178.2-74.6-4.9000112.2Q842 L843 N848 Y849 S850Q842-N846 PolarHBondContact O-N 3.27Å; L843-N846 PolarHBondContact O-N 3.38Å; N846-N848 PolarHBondContact O-N 3.45Å; N846-Y849 PolarHBondContact O-N 2.96Å; N846-S850 PolarHBondContact O-N 3.49Å; N846-S850 VanDerWaalsContact O-N 3.12Å
847D61.1Low58.5Low16 Ų1668.4 Ų68.49%0.08633%0.331CS..Hα-helixtrans-64.5-40.5178.5-77.6-10.9000111.9F604 R605 L843 L845 Y849 S850 M851F604-D847 WeakPolarHBondContact CA-OD2 3.24Å; F604-D847 HydrophobicContact CD2-CB 3.53Å; F604-D847 WeakPolarHBondContact CD2-OD2 3.28Å; F604-D847 HydrophobicContact CE2-CB 3.33Å; F604-D847 HydrophobicContact CG-CB 4.41Å; F604-D847 WeakPolarHBondContact CG-OD2 3.4Å; F604-D847 HydrophobicContact CZ-CB 4.07Å; R605-D847 WeakPolarHBondContact CB-OD2 3.39Å; R605-D847 WeakPolarHBondContact CD-OD1 3.38Å; R605-D847 WeakPolarHBondContact CG-OD1 3.42Å; R605-D847 PolarHBondContact N-OD2 2.98Å; R605-D847 IonicContact NE-OD1 3.47Å; L843-D847 PolarHBondContact O-N 3.28Å; L845-D847 VanDerWaalsContact C-N 3.33Å; L845-D847 PolarHBondContact O-N 3Å; D847-Y849 VanDerWaalsContact C-N 3.3Å; D847-Y849 PolarHBondContact O-N 3.47Å; D847-S850 PolarHBondContact O-N 3.3Å; D847-S850 PolarHBondContact O-OG 3.09Å; D847-M851 WeakPolarHBondContact O-CG 3.28Å; D847-M851 PolarHBondContact O-N 3.42Å
848N53.6Low55.7Low55 Ų5573.9 Ų73.929%0.29436%0.364SS..Hα-helixtrans-61.6-36.8175.4-77-15.7000112.2L845 N846 V852L845-N848 PolarHBondContact O-N 3.22Å; N846-N848 PolarHBondContact O-N 3.45Å; N848-V852 WeakPolarHBondContact O-CG2 3.42Å; N848-V852 PolarHBondContact O-N 3.36Å
849Y45.1Very low53.2Low174 Ų17481.6 Ų81.668%0.68241%0.405SS*.Hα-helixtrans-69.4-38.8177.4-115.2-85.8000112.7L845 N846 D847 M851 V852 N853L845-Y849 PolarHBondContact O-N 3.13Å; N846-Y849 PolarHBondContact O-N 2.96Å; D847-Y849 VanDerWaalsContact C-N 3.3Å; D847-Y849 PolarHBondContact O-N 3.47Å; Y849-M851 VanDerWaalsContact C-N 3.3Å; Y849-M851 PolarHBondContact O-N 2.99Å; Y849-V852 PolarHBondContact O-N 2.93Å; Y849-N853 PolarHBondContact O-N 3.15Å
850S45.3Very low50.6Low46 Ų4687 Ų8732%0.32244%0.441SS..Hα-helixtrans-63.5-36.6178.678.80000112.4N846 D847 N854N846-S850 PolarHBondContact O-N 3.49Å; N846-S850 VanDerWaalsContact O-N 3.12Å; D847-S850 PolarHBondContact O-N 3.3Å; D847-S850 PolarHBondContact O-OG 3.09Å; S850-N854 PolarHBondContact O-N 2.87Å
851M35.6Very low47.9Very low100 Ų10093.7 Ų93.749%0.49348%0.476SS..Hα-helixtrans-67.6-40179.3-67.8-73.5-7700112.1D847 Y849 N853D847-M851 WeakPolarHBondContact O-CG 3.28Å; D847-M851 PolarHBondContact O-N 3.42Å; Y849-M851 VanDerWaalsContact C-N 3.3Å; Y849-M851 PolarHBondContact O-N 2.99Å; M851-N853 PolarHBondContact O-N 3.47Å
852V38.5Very low45.6Very low85 Ų8599.4 Ų99.452%0.51551%0.507SS..Hα-helixtrans-70.7-31.4-177.8176.60000112.4N848 Y849N848-V852 WeakPolarHBondContact O-CG2 3.42Å; N848-V852 PolarHBondContact O-N 3.36Å; Y849-V852 PolarHBondContact O-N 2.93Å
853N34.3Very low43.3Very low103 Ų103103.3 Ų103.355%0.55153%0.529SS*.Hα-helixtrans-80.8-25.8-178.3-84.5-15.1000113.9Y849 M851 D855Y849-N853 PolarHBondContact O-N 3.15Å; M851-N853 PolarHBondContact O-N 3.47Å; N853-D855 VanDerWaalsContact C-N 3.33Å; N853-D855 PolarHBondContact O-N 3.05Å
854N36.4Very low41.2Very low121 Ų121109.4 Ų109.465%0.64756%0.562SS**Hα-helixtrans-73.5-23.2179.6-81.7-12.8000113.3S850 K856S850-N854 PolarHBondContact O-N 2.87Å; N854-K856 VanDerWaalsContact C-N 3.26Å; N854-K856 PolarHBondContact O-N 3.29Å
855D36.7Very low39.1Very low125 Ų125116.3 Ų116.367%0.66860%0.599SS**THydrogen-bonded Turntrans-77.4-4178.5-78.4-22.3000114.2N853N853-D855 VanDerWaalsContact C-N 3.33Å; N853-D855 PolarHBondContact O-N 3.05Å
856K35.2Very low37.2Very low179 Ų179121.4 Ų121.478%0.77863%0.626SS**THydrogen-bonded Turntrans-105.511.9179.3-76-172178.31790115.4N854N854-K856 VanDerWaalsContact C-N 3.26Å; N854-K856 PolarHBondContact O-N 3.29Å
857R29.9Very low35.3Very low224 Ų224125.1 Ų125.185%0.84565%0.645SS**  trans-107.856.5175-74-174.1174.9-177.6-0.6112.3
858T33.2Very low33.7Very low115 Ų115130.8 Ų130.871%0.70668%0.676SS**SBendtrans-141.3136.5153.350.20000106.3
859D33.1Very low32.3Very low162 Ų162134.3 Ų134.387%0.86671%0.705SS**  trans92.860.5-175.5-49.1-20.1000114.8N861D859-N861 PolarHBondContact O-N 2.51Å
860T30Very low31.3Very low144 Ų144136.8 Ų136.888%0.88371%0.713SS**  trans-79.7101153.947.10000109.1
861N29.4Very low30.3Very low140 Ų140143.1 Ų143.175%0.74974%0.737SS**  trans-148.9124.2146.1-131.517.5000111.3D859D859-N861 PolarHBondContact O-N 2.51Å
862D30.3Very low29.7Very low122 Ų122145.4 Ų145.465%0.65275%0.75SS**  trans64.1111.2158.5-62.6-32.4000122.1
863N28.3Very low28.9Very low130 Ų130149.7 Ų149.770%0.69577%0.765SS**  72105.3129.4-68.3-36.3000120.5
864N27.8Very low28.4Very low135 Ų135150.5 Ų150.572%0.72277%0.768SS**  58.8130.2125.7-72-20.5000120.4
865N26.6Very low27.7Very low144 Ų144150.3 Ų150.377%0.7777%0.771SS**  trans71.8106.2153.3-64.1-23.4000116.2
866L26.7Very low27.1Very low150 Ų150150.2 Ų150.279%0.78577%0.769SS**  177.3130.784.8-141.472.3000109.4N868L866-N868 PolarHBondContact O-N 3.25Å
867N25.1Very low26.6Very low157 Ų157149.1 Ų149.184%0.8477%0.772SS**  trans-50.7121.5165.9-72.9-33000110.5
868N26.4Very low26.3Very low136 Ų136142.3 Ų142.373%0.72777%0.771SS**  trans-154103.5154.4-96.3-33.3000109.3L866 R870L866-N868 PolarHBondContact O-N 3.25Å; N868-R870 PolarHBondContact O-N 3.26Å
869S24.3Very low25.9Very low129 Ų129141.8 Ų141.890%0.90278%0.779SS**  trans-54.293.2168.1-73.20000110.3H871S869-H871 PolarHBondContact O-N 2.85Å
870R24.8Very low25.4Very low225 Ų225145.9 Ų145.985%0.84978%0.782SS**  trans-85.797.2168.6-74.1-174.5177.5166.80.9108.8N868 L872N868-R870 PolarHBondContact O-N 3.26Å; R870-L872 PolarHBondContact O-N 3.13Å; R870-L872 VanDerWaalsContact O-N 3.07Å
871H24.1Very low25.2Very low179 Ų179144.7 Ų144.783%0.82978%0.78SS**  trans-53.1104.2163.1-1680.2000109S869 Q873S869-H871 PolarHBondContact O-N 2.85Å; H871-Q873 PolarHBondContact O-N 3.05Å
872L22.6Very low25Very low148 Ų148143 Ų14378%0.77578%0.779SS**  trans-74.9101.6178.2-102.9148.8000109.4R870 I874R870-L872 PolarHBondContact O-N 3.13Å; R870-L872 VanDerWaalsContact O-N 3.07Å; L872-I874 PolarHBondContact O-N 2.97Å
873Q22.4Very low24.8Very low175 Ų175143.1 Ų143.182%0.81878%0.784SS**  trans-71.7114.3161.7-89.5-172.1-27.100108.9H871H871-Q873 PolarHBondContact O-N 3.05Å
874I22.9Very low24.6Very low121 Ų121143.3 Ų143.362%0.62179%0.79SS**  trans-86113.6-177.8-64.2169.5000109L872 L876L872-I874 PolarHBondContact O-N 2.97Å; I874-L876 HydrophobicContact CG2-CD1 3.89Å; I874-L876 HydrophobicContact CG2-CD2 4.45Å; I874-L876 HydrophobicContact CG2-CG 3.73Å
875V21.9Very low24.5Very low116 Ų116144.2 Ų144.270%0.70380%0.795SS**  trans-107.2111.6168.1179.10000107.6
876L25.4Very low24.5Very low123 Ų123146.8 Ų146.864%0.64480%0.799SS**  trans-102.6113.2-179.9-75.4161.5000110.1I874I874-L876 HydrophobicContact CG2-CD1 3.89Å; I874-L876 HydrophobicContact CG2-CD2 4.45Å; I874-L876 HydrophobicContact CG2-CG 3.73Å
877N23.3Very low24.4Very low157 Ų157149.3 Ų149.384%0.8480%0.804SS**PPolyproline II helixtrans-87.9134.4170.7-86.6-17000110.9
878G23.4Very low24.2Very low80 Ų80150.2 Ų150.283%0.82581%0.808SS**PPolyproline II helixtrans-72.6136.2-169.400000115.2
879A24.9Very low24.1Very low105 Ų105149.3 Ų149.387%0.86881%0.812SS**PPolyproline II helixtrans-91.2116.1165.300000109.5
880R23.4Very low24.1Very low248 Ų248149.6 Ų149.694%0.93681%0.808SS**PPolyproline II helixtrans-75.8124171-78.4179.1172177.2-2.4109.4S882R880-S882 PolarHBondContact O-N 3.5Å
881S24.6Very low24.9Very low119 Ų119144.6 Ų144.683%0.83281%0.805SS**  trans-68.5112.7170.7-174.40000109.7
882S25.3Very low24.9Very low103 Ų103143.2 Ų143.272%0.7281%0.809SS**  trans-86.3113.9173.945.10000110.3R880 V884R880-S882 PolarHBondContact O-N 3.5Å; S882-V884 PolarHBondContact O-N 3.4Å
883T25.8Very low24.9Very low126 Ų126139.8 Ų139.877%0.77381%0.81SS**  trans-67.2119.7167.244.20000109.5D885T883-D885 PolarHBondContact O-N 3.18Å
884V25.5Very low24.9Very low134 Ų134135.6 Ų135.681%0.81281%0.813SS**  trans-78.498.1-179.8177.50000109.1S882S882-V884 PolarHBondContact O-N 3.4Å
885D25.5Very low24.9Very low154 Ų154133.4 Ų133.482%0.82482%0.821SS**  trans-82.1122.4166.3-93.6-36.4000110.4T883 K887T883-D885 PolarHBondContact O-N 3.18Å; D885-K887 PolarHBondContact O-N 3.44Å
886K25.6Very low24.9Very low198 Ų198139.2 Ų139.286%0.86183%0.832SS**  trans-62.4116.3172.4-71.1171.3174.6174.60109.7
887K24.4Very low24.9Very low203 Ų203140.4 Ų140.488%0.88384%0.843SS**  trans-150.1119.4149.7-109.2169.1-171.2-178.40111.5D885D885-K887 PolarHBondContact O-N 3.44Å
888L22.1Very low25Very low176 Ų176136.6 Ų136.692%0.92184%0.841SS**  trans-60.5124.5172.4-167.877.7000110.5
889S23.9Very low25Very low116 Ų116144.1 Ų144.181%0.81185%0.845SS**  trans-171.7137.9149.617.70000111.8
890T23.8Very low24.9Very low135 Ų135142.5 Ų142.583%0.82884%0.838SS**  trans-68.1166.3-173.733.10000115.7
891P42.4Very low24.8Very low120 Ų120141.3 Ų141.378%0.77984%0.835SS**  trans-94.3143.8-157.136.4-31.7000113.8
892V24.6Very low24.8Very low150 Ų150144.3 Ų144.391%0.90984%0.841SS**  trans-138.5131161.8-179.30000107.6
893G21.3Very low24.7Very low77 Ų77145.5 Ų145.579%0.79485%0.849SS**  trans-83.6-175.1-162.900000116.8
894G22.3Very low24.6Very low87 Ų87142.8 Ų142.890%0.89785%0.846SS**  trans117.4121.2150.400000115
895G23.1Very low24.6Very low75 Ų75141.8 Ų141.877%0.77385%0.845SS**  trans128.282.4147.900000116
896Y21.7Very low24.7Very low238 Ų238140 Ų14093%0.93384%0.844SS**  trans-56.3128.5162.3-76.6-101.9000111.7
897V26.3Very low25Very low147 Ų147137.5 Ų137.589%0.89184%0.839SS**  trans-139.4129.3151.5-175.10000108.6
898G24.8Very low25.6Very low77 Ų77129.9 Ų129.979%0.79482%0.818SS**  trans-56.3135.6-163.700000115.9
899R23.9Very low26.4Very low239 Ų239127.4 Ų127.490%0.90281%0.81SS**  trans-86.6107.1177.3-148.6177.7-169.8-157.52.7108.5
900G22Very low27.5Very low70 Ų70129.4 Ų129.472%0.72281%0.807SS**  trans-69.7132.5168.300000110.9L902G900-L902 PolarHBondContact O-N 2.89Å
901Y22.6Very low29Very low224 Ų224128.2 Ų128.288%0.87879%0.792SS**  trans-69.4118.1-179.4-68.2-97.6000111.3
902L24.5Very low29.7Very low181 Ų181122.6 Ų122.695%0.94876%0.755SS**  trans-131.596.1157.5-77.1171.5000107.5G900G900-L902 PolarHBondContact O-N 2.89Å
903S22.7Very low31.5Very low129 Ų129121 Ų12190%0.90274%0.74SS**  trans-88.4118.6173.2-1700000108.4
904G24.3Very low33.6Very low69 Ų69117.5 Ų117.571%0.71170%0.703SS**  trans-171.769-179.600000110.1S906G904-S906 PolarHBondContact O-N 3.33Å
905S25.7Very low35.6Very low113 Ų113114.1 Ų114.179%0.7966%0.664SS**  trans-74.999.8177.950.70000110.9
906S26.7Very low37.7Very low115 Ų115118.8 Ų118.880%0.80466%0.663SS**  trans-84.2122.917047.50000110.7G904 G908G904-S906 PolarHBondContact O-N 3.33Å; S906-G908 PolarHBondContact O-N 3.22Å
907I32.8Very low39.8Very low147 Ų147110.3 Ų110.375%0.75463%0.633SS**  trans-79.6111.2-177.1-65.4162.4000109.2
908G35.4Very low41.9Very low43 Ų43103.6 Ų103.644%0.44359%0.594SS.*  trans-74.9127.1168.400000110.7S906 Q910S906-G908 PolarHBondContact O-N 3.22Å; G908-Q910 PolarHBondContact O-N 3.39Å; G908-Q910 VanDerWaalsContact O-N 3.11Å
909V40.4Very low44.3Very low124 Ų124100.1 Ų100.175%0.75256%0.558SS**  trans-65.9109176.5-178.20000108.8
910Q47Very low46.8Very low158 Ų15894 Ų9474%0.73854%0.543SS*.PPolyproline II helixtrans-72.7127.8177.4-70.9-177.2-2.100110.2G908G908-Q910 PolarHBondContact O-N 3.39Å; G908-Q910 VanDerWaalsContact O-N 3.11Å
911Q53.7Low49.7Very low109 Ų10994.1 Ų94.151%0.50952%0.523SS..PPolyproline II helixtrans-64141.4172.1-71.4-175.6-14.200110.6Y957Q911-Y957 HydrophobicContact CG-CD1 4.18Å
912P58.2Low52.7Low2 Ų283.5 Ų83.51%0.01348%0.481CS..PPolyproline II helixtrans-56.1139.5175.4-23.731.7000112.9L845 V914 I915 K916L845-P912 HydrophobicContact CD2-CG 3.36Å; L845-P912 HydrophobicContact CG-CG 3.81Å; P912-V914 PolarHBondContact O-N 2.95Å; P912-I915 HydrophobicContact CB-CD1 4.08Å; P912-I915 HydrophobicContact CB-CG1 4.15Å; P912-I915 HydrophobicContact CG-CD1 3.84Å; P912-I915 HydrophobicContact CG-CG1 4.45Å; P912-I915 PolarHBondContact O-N 3.06Å; P912-I915 VanDerWaalsContact O-N 3.15Å; P912-K916 PolarHBondContact O-N 3.35Å
913M62.4Low55.4Low118 Ų11875.4 Ų75.458%0.58144%0.441SS*.Hα-helixtrans-60.9-41-173.3-161.8-174.2-6800112.8I915 K916 L917M913-I915 VanDerWaalsContact C-N 3.28Å; M913-I915 PolarHBondContact O-N 2.95Å; M913-K916 WeakPolarHBondContact O-CB 3.36Å; M913-K916 PolarHBondContact O-N 3.02Å; M913-K916 VanDerWaalsContact O-N 3.1Å; M913-L917 HydrophobicContact CG-CD1 3.9Å; M913-L917 HydrophobicContact CG-CG 4.25Å; M913-L917 VanDerWaalsContact O-CG 3.3Å; M913-L917 WeakPolarHBondContact O-CG 3.35Å; M913-L917 PolarHBondContact O-N 2.9Å; M913-L917 HydrophobicContact SD-CD1 4.27Å
914V65.6Low58.4Low3 Ų372.7 Ų72.72%0.01842%0.416CS..Hα-helixtrans-56.4-40.4176.9168.70000112.4L811 C812 A840 S844 P912 K916 L917 G918 I922L811-V914 WeakPolarHBondContact O-CG2 3.45Å; C812-V914 HydrophobicContact CB-CG2 3.91Å; C812-V914 WeakPolarHBondContact SG-CG2 3.49Å; A840-V914 HydrophobicContact CB-CG2 4.49Å; S844-V914 VanDerWaalsContact OG-CG2 3.32Å; S844-V914 WeakPolarHBondContact OG-CG2 3.4Å; P912-V914 PolarHBondContact O-N 2.95Å; V914-K916 VanDerWaalsContact C-N 3.34Å; V914-L917 PolarHBondContact O-N 2.89Å; V914-G918 PolarHBondContact O-N 3.03Å; V914-I922 HydrophobicContact CG1-CD1 3.44Å; V914-I922 VanDerWaalsContact CG1-CD1 3.44Å
915I64.6Low61.6Low16 Ų1670 Ų708%0.08239%0.385CS..Hα-helixtrans-66.8-41.1179.4-58.8-178.3000110P912 M913 L917 G919 L954 Y957P912-I915 HydrophobicContact CB-CD1 4.08Å; P912-I915 HydrophobicContact CB-CG1 4.15Å; P912-I915 HydrophobicContact CG-CD1 3.84Å; P912-I915 HydrophobicContact CG-CG1 4.45Å; P912-I915 PolarHBondContact O-N 3.06Å; P912-I915 VanDerWaalsContact O-N 3.15Å; M913-I915 VanDerWaalsContact C-N 3.28Å; M913-I915 PolarHBondContact O-N 2.95Å; I915-L917 VanDerWaalsContact C-N 3.35Å; I915-L917 PolarHBondContact O-N 3.04Å; I915-G919 WeakPolarHBondContact O-CA 3.45Å; I915-G919 PolarHBondContact O-N 2.89Å; I915-L954 HydrophobicContact CB-CD2 4.32Å; I915-L954 HydrophobicContact CD1-CD2 3.65Å; I915-L954 HydrophobicContact CG1-CD2 3.63Å; I915-L954 HydrophobicContact CG2-CD2 3.9Å; I915-Y957 HydrophobicContact CD1-CD2 3.77Å; I915-Y957 HydrophobicContact CD1-CE2 4.12Å; I915-Y957 HydrophobicContact CD1-CG 3.99Å
916K66.5Low64.7Low173 Ų17365 Ų6575%0.75235%0.35SS*.Hα-helixtrans-65.9-35.5177-169.6179.1179.5-177.50112.8P912 M913 V914P912-K916 PolarHBondContact O-N 3.35Å; M913-K916 WeakPolarHBondContact O-CB 3.36Å; M913-K916 PolarHBondContact O-N 3.02Å; M913-K916 VanDerWaalsContact O-N 3.1Å; V914-K916 VanDerWaalsContact C-N 3.34Å
917L65.1Low67.5Low59 Ų5962.2 Ų62.231%0.30932%0.324SS..Hα-helixtrans-82.3-39.9-177.4-65.4174.1000112.9N814 M913 V914 I915N814-L917 WeakPolarHBondContact OD1-CD2 2.98Å; M913-L917 HydrophobicContact CG-CD1 3.9Å; M913-L917 HydrophobicContact CG-CG 4.25Å; M913-L917 VanDerWaalsContact O-CG 3.3Å; M913-L917 WeakPolarHBondContact O-CG 3.35Å; M913-L917 PolarHBondContact O-N 2.9Å; M913-L917 HydrophobicContact SD-CD1 4.27Å; V914-L917 PolarHBondContact O-N 2.89Å; I915-L917 VanDerWaalsContact C-N 3.35Å; I915-L917 PolarHBondContact O-N 3.04Å
918G70.9Confident70.2Confident7 Ų758.2 Ų58.27%0.07231%0.308CS..Hα-helixtrans-147.213.4-168.800000116.1V914 L920 K921 I922V914-G918 PolarHBondContact O-N 3.03Å; G918-L920 VanDerWaalsContact C-N 3.25Å; G918-L920 PolarHBondContact O-N 3.35Å; G918-L920 VanDerWaalsContact O-N 3.11Å; G918-K921 PolarHBondContact O-N 3.5Å; G918-I922 PolarHBondContact O-N 2.93Å; G918-I922 VanDerWaalsContact O-N 3.14Å
919G74.7Confident73Confident3 Ų356.4 Ų56.43%0.03129%0.288CS..Hα-helixtrans-52.4-38.4-172.900000114.5I915 I922 A923 L954I915-G919 WeakPolarHBondContact O-CA 3.45Å; I915-G919 PolarHBondContact O-N 2.89Å; G919-I922 PolarHBondContact O-N 3.48Å; G919-A923 WeakPolarHBondContact O-CB 3.25Å; G919-A923 PolarHBondContact O-N 2.91Å; G919-L954 WeakPolarHBondContact O-CD1 2.9Å
920L76.2Confident75.2Confident112 Ų11250.8 Ų50.859%0.58625%0.253SS*.Hα-helixtrans-65.9-39.4177.8-173.865000112.8G918 A923 N924G918-L920 VanDerWaalsContact C-N 3.25Å; G918-L920 PolarHBondContact O-N 3.35Å; G918-L920 VanDerWaalsContact O-N 3.11Å; L920-A923 PolarHBondContact O-N 3.24Å; L920-N924 PolarHBondContact O-N 3.4Å; L920-N924 PolarHBondContact O-ND2 3.14Å
921K83.9Confident77Confident72 Ų7245.5 Ų45.531%0.31323%0.23SC..Hα-helixtrans-66.6-45.5177.3-77.5-179.1171-174.90110.8I817 G918 A923 N924 W925I817-K921 HydrophobicContact CG2-CB 4.36Å; I817-K921 HydrophobicContact CG2-CD 3.45Å; I817-K921 VanDerWaalsContact CG2-CD 3.45Å; G918-K921 PolarHBondContact O-N 3.5Å; K921-A923 VanDerWaalsContact C-N 3.33Å; K921-A923 PolarHBondContact O-N 3.32Å; K921-N924 WeakPolarHBondContact O-CB 3.45Å; K921-N924 PolarHBondContact O-N 3.05Å; K921-N924 VanDerWaalsContact O-N 3.14Å; K921-W925 HydrophobicContact CB-CH2 4.29Å; K921-W925 HydrophobicContact CB-CZ2 4.02Å; K921-W925 HydrophobicContact CD-CZ2 4.45Å; K921-W925 PolarHBondContact O-N 3.44Å
922I86Confident78.7Confident0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-59.9-45.7177-64.4163.2000110.4I817 V914 G918 G919 N924 W925 V926 L954I817-I922 HydrophobicContact CD1-CD1 3.81Å; I817-I922 HydrophobicContact CD1-CG1 4.11Å; V914-I922 HydrophobicContact CG1-CD1 3.44Å; V914-I922 VanDerWaalsContact CG1-CD1 3.44Å; G918-I922 PolarHBondContact O-N 2.93Å; G918-I922 VanDerWaalsContact O-N 3.14Å; G919-I922 PolarHBondContact O-N 3.48Å; I922-N924 VanDerWaalsContact C-N 3.29Å; I922-N924 PolarHBondContact O-N 2.93Å; I922-W925 HydrophobicContact CB-CE3 4.47Å; I922-W925 HydrophobicContact CG1-CE3 4.11Å; I922-W925 HydrophobicContact CG1-CZ3 3.89Å; I922-W925 PolarHBondContact O-N 3.13Å; I922-V926 HydrophobicContact CG2-CG2 4.38Å; I922-V926 VanDerWaalsContact O-CG2 3.28Å; I922-V926 WeakPolarHBondContact O-CG2 3.33Å; I922-V926 PolarHBondContact O-N 3.33Å; I922-L954 HydrophobicContact CB-CD1 4.19Å; I922-L954 HydrophobicContact CG2-CD1 3.96Å
923A81.5Confident80.2Confident12 Ų1242.1 Ų42.110%0.09922%0.215CC..Hα-helixtrans-58.1-41.617600000112.3G919 L920 K921 V926 Q927 L954 I1028G919-A923 WeakPolarHBondContact O-CB 3.25Å; G919-A923 PolarHBondContact O-N 2.91Å; L920-A923 PolarHBondContact O-N 3.24Å; K921-A923 VanDerWaalsContact C-N 3.33Å; K921-A923 PolarHBondContact O-N 3.32Å; A923-V926 PolarHBondContact O-N 2.81Å; A923-Q927 WeakPolarHBondContact O-CB 3.35Å; A923-Q927 PolarHBondContact O-N 3.41Å; A923-L954 HydrophobicContact CB-CD1 3.89Å; A923-I1028 HydrophobicContact CB-CD1 3.81Å
924N84.5Confident81.3Confident72 Ų7239.7 Ų39.739%0.38520%0.204SC..Hα-helixtrans-65.3-43.8177-71.1-15.2000112.2L920 K921 I922 V926 Q927 C928L920-N924 PolarHBondContact O-N 3.4Å; L920-N924 PolarHBondContact O-ND2 3.14Å; K921-N924 WeakPolarHBondContact O-CB 3.45Å; K921-N924 PolarHBondContact O-N 3.05Å; K921-N924 VanDerWaalsContact O-N 3.14Å; I922-N924 VanDerWaalsContact C-N 3.29Å; I922-N924 PolarHBondContact O-N 2.93Å; N924-V926 VanDerWaalsContact C-N 3.33Å; N924-V926 PolarHBondContact O-N 3.36Å; N924-Q927 PolarHBondContact O-N 3.25Å; N924-C928 WeakPolarHBondContact O-CB 3.29Å; N924-C928 PolarHBondContact O-N 2.93Å; N924-C928 PolarHBondContact O-SG 3.01Å
925W92.7Very high81.9Confident13 Ų1346.3 Ų46.35%0.04924%0.235CC..Hα-helixtrans-61.3-44.2176.6-58.3-31.6000111.4I817 I820 Q821 V830 A833 A834 K921 I922 Q927 C928 Y929I817-W925 HydrophobicContact CG2-CH2 4.34Å; I820-W925 HydrophobicContact CB-CH2 3.65Å; I820-W925 HydrophobicContact CB-CZ2 4.35Å; I820-W925 HydrophobicContact CB-CZ3 3.94Å; I820-W925 HydrophobicContact CG2-CD2 4.44Å; I820-W925 HydrophobicContact CG2-CE3 3.94Å; I820-W925 HydrophobicContact CG2-CH2 3.48Å; I820-W925 VanDerWaalsContact CG2-CH2 3.48Å; I820-W925 HydrophobicContact CG2-CZ2 4Å; I820-W925 HydrophobicContact CG2-CZ3 3.44Å; I820-W925 VanDerWaalsContact CG2-CZ3 3.44Å; Q821-W925 HydrophobicContact CB-CZ2 4.08Å; V830-W925 HydrophobicContact CG2-CB 3.92Å; V830-W925 HydrophobicContact CG2-CG 4.38Å; V830-W925 WeakPolarHBondContact CG2-O 3.44Å; A833-W925 HydrophobicContact CB-CB 4.34Å; A833-W925 HydrophobicContact CB-CD2 4Å; A833-W925 HydrophobicContact CB-CE3 4.07Å; A833-W925 HydrophobicContact CB-CG 4.12Å; A834-W925 HydrophobicContact CB-CB 4.37Å; K921-W925 HydrophobicContact CB-CH2 4.29Å; K921-W925 HydrophobicContact CB-CZ2 4.02Å; K921-W925 HydrophobicContact CD-CZ2 4.45Å; K921-W925 PolarHBondContact O-N 3.44Å; I922-W925 HydrophobicContact CB-CE3 4.47Å; I922-W925 HydrophobicContact CG1-CE3 4.11Å; I922-W925 HydrophobicContact CG1-CZ3 3.89Å; I922-W925 PolarHBondContact O-N 3.13Å; W925-Q927 VanDerWaalsContact C-N 3.33Å; W925-Q927 PolarHBondContact O-N 2.84Å; W925-C928 PolarHBondContact O-N 3.15Å; W925-Y929 PolarHBondContact O-N 3.05Å
926V90.2Very high82.9Confident8 Ų847.5 Ų47.55%0.04824%0.238CC..Hα-helixtrans-59.5-44175.5171.80000111A834 L838 I922 A923 N924 Y929 R930 F945 L953A834-V926 HydrophobicContact CB-CG2 3.97Å; L838-V926 HydrophobicContact CD1-CG2 3.63Å; L838-V926 HydrophobicContact CD2-CG2 4.13Å; L838-V926 HydrophobicContact CG-CG2 3.79Å; I922-V926 HydrophobicContact CG2-CG2 4.38Å; I922-V926 VanDerWaalsContact O-CG2 3.28Å; I922-V926 WeakPolarHBondContact O-CG2 3.33Å; I922-V926 PolarHBondContact O-N 3.33Å; A923-V926 PolarHBondContact O-N 2.81Å; N924-V926 VanDerWaalsContact C-N 3.33Å; N924-V926 PolarHBondContact O-N 3.36Å; V926-Y929 PolarHBondContact O-N 3.2Å; V926-R930 WeakPolarHBondContact O-CB 3.25Å; V926-R930 WeakPolarHBondContact O-CG 3.48Å; V926-R930 PolarHBondContact O-N 3.14Å; V926-F945 HydrophobicContact CG1-CE1 4.13Å; V926-F945 HydrophobicContact CG1-CZ 4.42Å; V926-L953 HydrophobicContact CG1-CD2 4.36Å
927Q85.3Confident83.9Confident56 Ų5645.6 Ų45.626%0.26223%0.232SC..Hα-helixtrans-67.1-42.4178.1-171.459.446.100112.5A923 N924 W925 Y929 R930 D931A923-Q927 WeakPolarHBondContact O-CB 3.35Å; A923-Q927 PolarHBondContact O-N 3.41Å; N924-Q927 PolarHBondContact O-N 3.25Å; W925-Q927 VanDerWaalsContact C-N 3.33Å; W925-Q927 PolarHBondContact O-N 2.84Å; Q927-Y929 VanDerWaalsContact C-N 3.31Å; Q927-Y929 PolarHBondContact O-N 3.02Å; Q927-R930 WeakPolarHBondContact O-CB 3.46Å; Q927-R930 PolarHBondContact O-N 3.27Å; Q927-D931 PolarHBondContact NE2-OD1 3Å; Q927-D931 VanDerWaalsContact O-CG 3.23Å; Q927-D931 PolarHBondContact O-N 3.41Å
928C88.5Confident85Confident63 Ų6343.3 Ų43.343%0.42622%0.22SC..Hα-helixtrans-59.8-42.8175.9-72.40000111.6V830 N924 W925 D931 L932V830-C928 HydrophobicContact CG1-CB 4.33Å; V830-C928 HydrophobicContact CG2-CB 3.75Å; N924-C928 WeakPolarHBondContact O-CB 3.29Å; N924-C928 PolarHBondContact O-N 2.93Å; N924-C928 PolarHBondContact O-SG 3.01Å; W925-C928 PolarHBondContact O-N 3.15Å; C928-D931 PolarHBondContact O-N 3.11Å; C928-L932 WeakPolarHBondContact O-CG 3.05Å; C928-L932 PolarHBondContact O-N 3.15Å
929Y94.2Very high85.8Confident5 Ų550 Ų502%0.0224%0.243CC..Hα-helixtrans-67-40.6178.1-179-130.2000112.3Q831 A834 W925 V926 Q927 D931 L932 L933 F945Q831-Y929 HydrophobicContact CB-CD2 3.69Å; Q831-Y929 HydrophobicContact CB-CE2 3.57Å; Q831-Y929 HydrophobicContact CB-CG 4.32Å; Q831-Y929 HydrophobicContact CG-CD2 4.15Å; Q831-Y929 HydrophobicContact CG-CE1 4.17Å; Q831-Y929 HydrophobicContact CG-CE2 3.58Å; Q831-Y929 PolarHBondContact NE2-OH 2.9Å; A834-Y929 HydrophobicContact CB-CD1 4.4Å; W925-Y929 PolarHBondContact O-N 3.05Å; V926-Y929 PolarHBondContact O-N 3.2Å; Q927-Y929 VanDerWaalsContact C-N 3.31Å; Q927-Y929 PolarHBondContact O-N 3.02Å; Y929-D931 VanDerWaalsContact C-N 3.35Å; Y929-D931 PolarHBondContact O-N 3.18Å; Y929-L932 WeakPolarHBondContact O-CB 3.43Å; Y929-L932 PolarHBondContact O-N 2.98Å; Y929-L933 HydrophobicContact CD1-CD1 4.31Å; Y929-L933 HydrophobicContact CD2-CG 4.41Å; Y929-L933 HydrophobicContact CE1-CD1 3.84Å; Y929-L933 HydrophobicContact CE1-CG 4.44Å; Y929-L933 HydrophobicContact CE2-CD1 4.27Å; Y929-L933 HydrophobicContact CE2-CD2 4.03Å; Y929-L933 HydrophobicContact CE2-CG 3.97Å; Y929-L933 PolarHBondContact O-N 3.28Å; Y929-F945 HydrophobicContact CD1-CD2 4.42Å; Y929-F945 HydrophobicContact CD1-CE1 4.3Å; Y929-F945 AromaticContact CD1-CE2 3.99Å; Y929-F945 HydrophobicContact CD1-CE2 3.99Å; Y929-F945 AromaticContact CD1-CZ 3.93Å; Y929-F945 HydrophobicContact CD1-CZ 3.93Å; Y929-F945 AromaticContact CE1-CD2 3.97Å; Y929-F945 HydrophobicContact CE1-CD2 3.97Å; Y929-F945 AromaticContact CE1-CE2 3.89Å; Y929-F945 HydrophobicContact CE1-CE2 3.89Å; Y929-F945 HydrophobicContact CE1-CG 4.43Å; Y929-F945 HydrophobicContact CE1-CZ 4.29Å
930R87.7Confident86.4Confident6 Ų657.3 Ų57.32%0.02328%0.275CS..Hα-helixtrans-54.8-49.1171.8-78.7171.6-179.9-85.8-19.8112.1V926 Q927 L932 L933 D934 R942 F945 D946 L953V926-R930 WeakPolarHBondContact O-CB 3.25Å; V926-R930 WeakPolarHBondContact O-CG 3.48Å; V926-R930 PolarHBondContact O-N 3.14Å; Q927-R930 WeakPolarHBondContact O-CB 3.46Å; Q927-R930 PolarHBondContact O-N 3.27Å; R930-L932 VanDerWaalsContact C-N 3.28Å; R930-L932 PolarHBondContact O-N 3.14Å; R930-L933 PolarHBondContact O-N 2.84Å; R930-D934 PolarHBondContact O-N 2.77Å; R930-D934 VanDerWaalsContact O-N 3.07Å; R930-R942 PolarHBondContact O-NH1 3.15Å; R930-R942 VanDerWaalsContact O-NH1 3.12Å; R930-F945 HydrophobicContact CG-CE1 4.29Å; R930-D946 IonicContact CZ-OD1 3.69Å; R930-D946 IonicContact CZ-OD2 3.59Å; R930-D946 IonicContact NE-OD1 3.9Å; R930-D946 IonicContact NH1-OD1 3.73Å; R930-D946 PolarHBondContact NH1-OD1 3.29Å; R930-D946 IonicContact NH1-OD2 2.86Å; R930-D946 PolarHBondContact NH1-OD2 2.79Å; R930-D946 VanDerWaalsContact NH2-CG 3.34Å; R930-D946 IonicContact NH2-OD1 3.27Å; R930-D946 PolarHBondContact NH2-OD1 3.37Å; R930-D946 IonicContact NH2-OD2 3.89Å; R930-L953 VanDerWaalsContact NH2-CD2 3.31Å
931D85.6Confident87Confident47 Ų4755.7 Ų55.725%0.25126%0.261SS..Hα-helixtrans-63-35.8179.3-66.7-11.8000111.5Q927 C928 Y929 D934 Q935Q927-D931 PolarHBondContact NE2-OD1 3Å; Q927-D931 VanDerWaalsContact O-CG 3.23Å; Q927-D931 PolarHBondContact O-N 3.41Å; C928-D931 PolarHBondContact O-N 3.11Å; Y929-D931 VanDerWaalsContact C-N 3.35Å; Y929-D931 PolarHBondContact O-N 3.18Å; D931-D934 PolarHBondContact O-N 3.31Å; D931-Q935 WeakPolarHBondContact O-CB 3.3Å; D931-Q935 WeakPolarHBondContact O-CG 3.28Å; D931-Q935 PolarHBondContact O-N 2.95Å
932L89.2Confident87.1Confident40 Ų4053.4 Ų53.421%0.20925%0.251CS..Hα-helixtrans-66.8-44.5175.3-73.6174.3000112.2M526 V830 C928 Y929 R930 D934 Q935 W936M526-L932 HydrophobicContact CE-CD1 3.97Å; M526-L932 HydrophobicContact SD-CD1 4.4Å; V830-L932 HydrophobicContact CG1-CD1 3.61Å; C928-L932 WeakPolarHBondContact O-CG 3.05Å; C928-L932 PolarHBondContact O-N 3.15Å; Y929-L932 WeakPolarHBondContact O-CB 3.43Å; Y929-L932 PolarHBondContact O-N 2.98Å; R930-L932 VanDerWaalsContact C-N 3.28Å; R930-L932 PolarHBondContact O-N 3.14Å; L932-D934 VanDerWaalsContact C-N 3.27Å; L932-D934 PolarHBondContact O-N 2.94Å; L932-Q935 PolarHBondContact O-N 3.35Å; L932-W936 HydrophobicContact CB-CE3 4.47Å; L932-W936 HydrophobicContact CB-CH2 3.97Å; L932-W936 HydrophobicContact CB-CZ2 4.03Å; L932-W936 HydrophobicContact CB-CZ3 4.22Å; L932-W936 HydrophobicContact CD1-CH2 4.11Å; L932-W936 HydrophobicContact CD1-CZ2 4.22Å; L932-W936 HydrophobicContact CD2-CZ2 3.97Å; L932-W936 HydrophobicContact CG-CH2 4.47Å; L932-W936 HydrophobicContact CG-CZ2 4.31Å; L932-W936 WeakPolarHBondContact O-CB 3.45Å; L932-W936 VanDerWaalsContact O-CG 3.24Å; L932-W936 PolarHBondContact O-N 3.34Å
933L89.3Confident87.1Confident0 Ų055.6 Ų55.60%027%0.269CS..Hα-helixtrans-60.3-39.7176-68.9173.6000111.5A530 Y929 R930 W936 Q937 M938 R942A530-L933 HydrophobicContact CB-CD2 4.31Å; Y929-L933 HydrophobicContact CD1-CD1 4.31Å; Y929-L933 HydrophobicContact CD2-CG 4.41Å; Y929-L933 HydrophobicContact CE1-CD1 3.84Å; Y929-L933 HydrophobicContact CE1-CG 4.44Å; Y929-L933 HydrophobicContact CE2-CD1 4.27Å; Y929-L933 HydrophobicContact CE2-CD2 4.03Å; Y929-L933 HydrophobicContact CE2-CG 3.97Å; Y929-L933 PolarHBondContact O-N 3.28Å; R930-L933 PolarHBondContact O-N 2.84Å; L933-W936 HydrophobicContact CD2-CE3 4.43Å; L933-W936 PolarHBondContact O-N 3.16Å; L933-Q937 PolarHBondContact O-N 2.84Å; L933-M938 HydrophobicContact CB-CB 4.42Å; L933-M938 HydrophobicContact CD2-CB 3.96Å; L933-M938 HydrophobicContact CD2-SD 3.94Å; L933-M938 PolarHBondContact O-N 2.97Å; L933-R942 HydrophobicContact CB-CB 3.98Å; L933-R942 HydrophobicContact CD1-CB 4.07Å
934D84.3Confident87.3Confident66 Ų6657.7 Ų57.735%0.35328%0.278SS..Hα-helixtrans-65.1-44.9176-67-13.6000111.4R930 D931 L932 W936 Q937 R942R930-D934 PolarHBondContact O-N 2.77Å; R930-D934 VanDerWaalsContact O-N 3.07Å; D931-D934 PolarHBondContact O-N 3.31Å; L932-D934 VanDerWaalsContact C-N 3.27Å; L932-D934 PolarHBondContact O-N 2.94Å; D934-W936 VanDerWaalsContact C-N 3.31Å; D934-W936 PolarHBondContact O-N 3.38Å; D934-Q937 PolarHBondContact O-N 2.92Å; D934-R942 IonicContact OD1-CZ 3.41Å; D934-R942 IonicContact OD1-NH1 3.94Å; D934-R942 PolarHBondContact OD1-NH1 3.21Å; D934-R942 IonicContact OD2-CZ 2.64Å; D934-R942 IonicContact OD2-NH1 3.51Å; D934-R942 PolarHBondContact OD2-NH1 2.91Å
935Q78.4Confident87.5Confident142 Ų14254.4 Ų54.466%0.66426%0.26SS*.Hα-helixtrans-64.6-33.8177.5-74.7172.636.300112.9D931 L932 Q937D931-Q935 WeakPolarHBondContact O-CB 3.3Å; D931-Q935 WeakPolarHBondContact O-CG 3.28Å; D931-Q935 PolarHBondContact O-N 2.95Å; L932-Q935 PolarHBondContact O-N 3.35Å; Q935-Q937 PolarHBondContact O-N 3.12Å
936W86.4Confident87.1Confident41 Ų4155 Ų5516%0.15527%0.265CS..THydrogen-bonded Turntrans-82.83.2174.3-60.2-22.2000113.5A523 M526 R527 L932 L933 D934 M938A523-W936 HydrophobicContact CB-CZ2 3.71Å; M526-W936 HydrophobicContact CB-CH2 3.62Å; M526-W936 HydrophobicContact CB-CZ3 4Å; M526-W936 HydrophobicContact CE-CH2 3.96Å; M526-W936 HydrophobicContact CE-CZ2 4.36Å; M526-W936 HydrophobicContact SD-CH2 4.39Å; R527-W936 HydrophobicContact CB-CE3 4.15Å; R527-W936 HydrophobicContact CB-CZ3 4.29Å; R527-W936 HydrophobicContact CG-CE3 4.45Å; L932-W936 HydrophobicContact CB-CE3 4.47Å; L932-W936 HydrophobicContact CB-CH2 3.97Å; L932-W936 HydrophobicContact CB-CZ2 4.03Å; L932-W936 HydrophobicContact CB-CZ3 4.22Å; L932-W936 HydrophobicContact CD1-CH2 4.11Å; L932-W936 HydrophobicContact CD1-CZ2 4.22Å; L932-W936 HydrophobicContact CD2-CZ2 3.97Å; L932-W936 HydrophobicContact CG-CH2 4.47Å; L932-W936 HydrophobicContact CG-CZ2 4.31Å; L932-W936 WeakPolarHBondContact O-CB 3.45Å; L932-W936 VanDerWaalsContact O-CG 3.24Å; L932-W936 PolarHBondContact O-N 3.34Å; L933-W936 HydrophobicContact CD2-CE3 4.43Å; L933-W936 PolarHBondContact O-N 3.16Å; D934-W936 VanDerWaalsContact C-N 3.31Å; D934-W936 PolarHBondContact O-N 3.38Å; W936-M938 HydrophobicContact CB-CG 3.95Å; W936-M938 HydrophobicContact CB-SD 4.29Å; W936-M938 HydrophobicContact CE3-SD 3.98Å; W936-M938 PolarHBondContact O-N 2.91Å
937Q88.1Confident86.7Confident134 Ų13460.2 Ų60.263%0.62629%0.291SS*.THydrogen-bonded Turntrans59.826.9-178.3-57-178.9-30.100113.7L933 D934 Q935 W939L933-Q937 PolarHBondContact O-N 2.84Å; D934-Q937 PolarHBondContact O-N 2.92Å; Q935-Q937 PolarHBondContact O-N 3.12Å; Q937-W939 HydrophobicContact CB-CH2 4.01Å; Q937-W939 HydrophobicContact CB-CZ2 3.52Å; Q937-W939 HydrophobicContact CG-CH2 4.36Å; Q937-W939 HydrophobicContact CG-CZ2 3.67Å; Q937-W939 PolarHBondContact O-N 3.12Å; Q937-W939 VanDerWaalsContact O-N 3.12Å
938M88.5Confident86.4Confident11 Ų1158.8 Ų58.85%0.05429%0.286CS..  trans-88.550.4179.3-66.6-172.386.100111.3R527 A530 E531 L933 W936 F940 Y941 R942R527-M938 HydrophobicContact CB-SD 4.43Å; R527-M938 HydrophobicContact CG-CE 4.13Å; R527-M938 HydrophobicContact CG-SD 3.59Å; R527-M938 VanDerWaalsContact CG-SD 3.59Å; A530-M938 HydrophobicContact CB-CE 3.8Å; A530-M938 HydrophobicContact CB-SD 4.38Å; E531-M938 HydrophobicContact CG-CE 3.68Å; L933-M938 HydrophobicContact CB-CB 4.42Å; L933-M938 HydrophobicContact CD2-CB 3.96Å; L933-M938 HydrophobicContact CD2-SD 3.94Å; L933-M938 PolarHBondContact O-N 2.97Å; W936-M938 HydrophobicContact CB-CG 3.95Å; W936-M938 HydrophobicContact CB-SD 4.29Å; W936-M938 HydrophobicContact CE3-SD 3.98Å; W936-M938 PolarHBondContact O-N 2.91Å; M938-F940 VanDerWaalsContact C-N 3.32Å; M938-F940 PolarHBondContact O-N 3.46Å; M938-Y941 HydrophobicContact CB-CD2 3.77Å; M938-Y941 HydrophobicContact CB-CG 4.4Å; M938-Y941 HydrophobicContact CE-CD1 4.23Å; M938-Y941 HydrophobicContact CE-CD2 3.48Å; M938-Y941 VanDerWaalsContact CE-CD2 3.48Å; M938-Y941 HydrophobicContact CE-CE1 4.37Å; M938-Y941 HydrophobicContact CE-CE2 3.61Å; M938-Y941 HydrophobicContact CE-CG 3.79Å; M938-Y941 HydrophobicContact CG-CD2 4.23Å; M938-Y941 PolarHBondContact O-N 3.01Å; M938-R942 PolarHBondContact O-N 3.3Å
939W85.9Confident85.9Confident146 Ų14655.9 Ų55.955%0.55327%0.266SS*.Hα-helixtrans-62.9-35.2-169-45.3-59.6000113.6Q937 R942 A943Q937-W939 HydrophobicContact CB-CH2 4.01Å; Q937-W939 HydrophobicContact CB-CZ2 3.52Å; Q937-W939 HydrophobicContact CG-CH2 4.36Å; Q937-W939 HydrophobicContact CG-CZ2 3.67Å; Q937-W939 PolarHBondContact O-N 3.12Å; Q937-W939 VanDerWaalsContact O-N 3.12Å; W939-R942 WeakPolarHBondContact O-CB 3.26Å; W939-R942 PolarHBondContact O-N 3.47Å; W939-A943 WeakPolarHBondContact O-CB 3.3Å; W939-A943 PolarHBondContact O-N 3.43Å
940F87.3Confident84.8Confident158 Ų15863.3 Ų63.369%0.69330%0.299SS*.Hα-helixtrans-64-49.8176.2-61-72.4000111.2M938 R942 A943 D944M938-F940 VanDerWaalsContact C-N 3.32Å; M938-F940 PolarHBondContact O-N 3.46Å; F940-R942 VanDerWaalsContact C-N 3.26Å; F940-R942 PolarHBondContact O-N 3.43Å; F940-A943 WeakPolarHBondContact O-CB 3.28Å; F940-A943 PolarHBondContact O-N 3.34Å; F940-A943 VanDerWaalsContact O-N 3.08Å; F940-D944 WeakPolarHBondContact O-CB 3.47Å; F940-D944 PolarHBondContact O-N 3.04Å
941Y88.6Confident83.4Confident78 Ų7868.2 Ų68.231%0.30633%0.334SS..Hα-helixtrans-61.1-36.5176.1-55.9-88000112.2A530 L536 M938 F945A530-Y941 WeakPolarHBondContact O-CD1 3.48Å; L536-Y941 HydrophobicContact CD1-CD1 3.95Å; M938-Y941 HydrophobicContact CB-CD2 3.77Å; M938-Y941 HydrophobicContact CB-CG 4.4Å; M938-Y941 HydrophobicContact CE-CD1 4.23Å; M938-Y941 HydrophobicContact CE-CD2 3.48Å; M938-Y941 VanDerWaalsContact CE-CD2 3.48Å; M938-Y941 HydrophobicContact CE-CE1 4.37Å; M938-Y941 HydrophobicContact CE-CE2 3.61Å; M938-Y941 HydrophobicContact CE-CG 3.79Å; M938-Y941 HydrophobicContact CG-CD2 4.23Å; M938-Y941 PolarHBondContact O-N 3.01Å; Y941-F945 VanDerWaalsContact O-CB 3.24Å; Y941-F945 WeakPolarHBondContact O-CB 3.47Å; Y941-F945 PolarHBondContact O-N 3.13Å
942R87.7Confident82.1Confident24 Ų2468 Ų689%0.09133%0.329CS..Hα-helixtrans-62.7-47.6172.2168.959.2-175.5-77.7-6.5111.7R930 L933 D934 M938 W939 F940 D944 F945 D946R930-R942 PolarHBondContact O-NH1 3.15Å; R930-R942 VanDerWaalsContact O-NH1 3.12Å; L933-R942 HydrophobicContact CB-CB 3.98Å; L933-R942 HydrophobicContact CD1-CB 4.07Å; D934-R942 IonicContact OD1-CZ 3.41Å; D934-R942 IonicContact OD1-NH1 3.94Å; D934-R942 PolarHBondContact OD1-NH1 3.21Å; D934-R942 IonicContact OD2-CZ 2.64Å; D934-R942 IonicContact OD2-NH1 3.51Å; D934-R942 PolarHBondContact OD2-NH1 2.91Å; M938-R942 PolarHBondContact O-N 3.3Å; W939-R942 WeakPolarHBondContact O-CB 3.26Å; W939-R942 PolarHBondContact O-N 3.47Å; F940-R942 VanDerWaalsContact C-N 3.26Å; F940-R942 PolarHBondContact O-N 3.43Å; R942-D944 VanDerWaalsContact C-N 3.34Å; R942-F945 PolarHBondContact O-N 3.13Å; R942-D946 IonicContact CZ-OD2 2.89Å; R942-D946 IonicContact NE-OD1 2.63Å; R942-D946 PolarHBondContact NE-OD1 2.93Å; R942-D946 IonicContact NE-OD2 3.04Å; R942-D946 PolarHBondContact NE-OD2 3.01Å; R942-D946 IonicContact NH2-OD2 2.85Å; R942-D946 WeakPolarHBondContact O-CB 3.24Å; R942-D946 PolarHBondContact O-N 3.24Å
943A85.6Confident80.5Confident45 Ų4567.7 Ų67.737%0.37233%0.328SS..Hα-helixtrans-61.8-44.1177.900000111.3W939 F940 F945 D946 I947W939-A943 WeakPolarHBondContact O-CB 3.3Å; W939-A943 PolarHBondContact O-N 3.43Å; F940-A943 WeakPolarHBondContact O-CB 3.28Å; F940-A943 PolarHBondContact O-N 3.34Å; F940-A943 VanDerWaalsContact O-N 3.08Å; A943-F945 PolarHBondContact O-N 2.91Å; A943-D946 WeakPolarHBondContact O-CB 3.37Å; A943-D946 PolarHBondContact O-N 3.27Å; A943-D946 VanDerWaalsContact O-N 3.16Å; A943-I947 VanDerWaalsContact O-CG1 3.27Å; A943-I947 WeakPolarHBondContact O-CG1 3.42Å; A943-I947 PolarHBondContact O-N 3.22Å
944D85Confident78.8Confident57 Ų5768.2 Ų68.231%0.30533%0.331SS..Hα-helixtrans-62.8-41.9177.3-74.5-19.2000112.4L536 I538 F940 R942 D946 I947 T948L536-D944 HydrophobicContact CD1-CB 4.13Å; L536-D944 HydrophobicContact CD2-CB 3.75Å; I538-D944 HydrophobicContact CD1-CB 3.54Å; F940-D944 WeakPolarHBondContact O-CB 3.47Å; F940-D944 PolarHBondContact O-N 3.04Å; R942-D944 VanDerWaalsContact C-N 3.34Å; D944-D946 VanDerWaalsContact C-N 3.33Å; D944-D946 PolarHBondContact O-N 2.91Å; D944-I947 PolarHBondContact O-N 2.76Å; D944-T948 VanDerWaalsContact O-CB 3.27Å; D944-T948 WeakPolarHBondContact O-CB 3.26Å; D944-T948 PolarHBondContact O-N 2.88Å; D944-T948 PolarHBondContact O-OG1 3.12Å
945F88.4Confident77.3Confident2 Ų267.7 Ų67.71%0.00933%0.332CS..Hα-helixtrans-59.3-47.1172.5178-99.5000110L536 I835 L838 V926 Y929 R930 Y941 R942 A943 I947 T948 Y949L536-F945 VanDerWaalsContact CD2-CA 3.5Å; L536-F945 HydrophobicContact CD2-CB 3.87Å; L536-F945 VanDerWaalsContact CD2-N 3.25Å; I835-F945 HydrophobicContact CG1-CE2 4.28Å; L838-F945 HydrophobicContact CD1-CE1 4.49Å; L838-F945 HydrophobicContact CD1-CE2 4.15Å; L838-F945 HydrophobicContact CD1-CZ 3.63Å; V926-F945 HydrophobicContact CG1-CE1 4.13Å; V926-F945 HydrophobicContact CG1-CZ 4.42Å; Y929-F945 HydrophobicContact CD1-CD2 4.42Å; Y929-F945 HydrophobicContact CD1-CE1 4.3Å; Y929-F945 AromaticContact CD1-CE2 3.99Å; Y929-F945 HydrophobicContact CD1-CE2 3.99Å; Y929-F945 AromaticContact CD1-CZ 3.93Å; Y929-F945 HydrophobicContact CD1-CZ 3.93Å; Y929-F945 AromaticContact CE1-CD2 3.97Å; Y929-F945 HydrophobicContact CE1-CD2 3.97Å; Y929-F945 AromaticContact CE1-CE2 3.89Å; Y929-F945 HydrophobicContact CE1-CE2 3.89Å; Y929-F945 HydrophobicContact CE1-CG 4.43Å; Y929-F945 HydrophobicContact CE1-CZ 4.29Å; R930-F945 HydrophobicContact CG-CE1 4.29Å; Y941-F945 VanDerWaalsContact O-CB 3.24Å; Y941-F945 WeakPolarHBondContact O-CB 3.47Å; Y941-F945 PolarHBondContact O-N 3.13Å; R942-F945 PolarHBondContact O-N 3.13Å; A943-F945 PolarHBondContact O-N 2.91Å; F945-I947 VanDerWaalsContact C-N 3.35Å; F945-I947 PolarHBondContact O-N 3.25Å; F945-T948 PolarHBondContact O-N 3.48Å; F945-Y949 HydrophobicContact CD1-CD2 4.44Å; F945-Y949 AromaticContact CD2-CD2 3.51Å; F945-Y949 HydrophobicContact CD2-CD2 3.51Å; F945-Y949 AromaticContact CD2-CE2 3.41Å; F945-Y949 HydrophobicContact CD2-CE2 3.41Å; F945-Y949 VanDerWaalsContact CD2-CE2 3.41Å; F945-Y949 HydrophobicContact CE1-CD2 4.42Å; F945-Y949 AromaticContact CE2-CD2 3.47Å; F945-Y949 HydrophobicContact CE2-CD2 3.47Å; F945-Y949 VanDerWaalsContact CE2-CD2 3.47Å; F945-Y949 AromaticContact CE2-CE2 3.35Å; F945-Y949 HydrophobicContact CE2-CE2 3.35Å; F945-Y949 HydrophobicContact CG-CD2 4.01Å; F945-Y949 HydrophobicContact CG-CE2 4.31Å; F945-Y949 AromaticContact CZ-CD2 3.95Å; F945-Y949 HydrophobicContact CZ-CD2 3.95Å; F945-Y949 HydrophobicContact CZ-CE2 4.23Å; F945-Y949 WeakPolarHBondContact O-CD2 3.38Å; F945-Y949 PolarHBondContact O-N 2.91Å
946D84.5Confident75.9Confident26 Ų2667.2 Ų67.214%0.13933%0.334CS..Hα-helixtrans-63.4-40.4-179.4-67.2-1.8000112.5R930 R942 A943 D944 K950R930-D946 IonicContact CZ-OD1 3.69Å; R930-D946 IonicContact CZ-OD2 3.59Å; R930-D946 IonicContact NE-OD1 3.9Å; R930-D946 IonicContact NH1-OD1 3.73Å; R930-D946 PolarHBondContact NH1-OD1 3.29Å; R930-D946 IonicContact NH1-OD2 2.86Å; R930-D946 PolarHBondContact NH1-OD2 2.79Å; R930-D946 VanDerWaalsContact NH2-CG 3.34Å; R930-D946 IonicContact NH2-OD1 3.27Å; R930-D946 PolarHBondContact NH2-OD1 3.37Å; R930-D946 IonicContact NH2-OD2 3.89Å; R942-D946 IonicContact CZ-OD2 2.89Å; R942-D946 IonicContact NE-OD1 2.63Å; R942-D946 PolarHBondContact NE-OD1 2.93Å; R942-D946 IonicContact NE-OD2 3.04Å; R942-D946 PolarHBondContact NE-OD2 3.01Å; R942-D946 IonicContact NH2-OD2 2.85Å; R942-D946 WeakPolarHBondContact O-CB 3.24Å; R942-D946 PolarHBondContact O-N 3.24Å; A943-D946 WeakPolarHBondContact O-CB 3.37Å; A943-D946 PolarHBondContact O-N 3.27Å; A943-D946 VanDerWaalsContact O-N 3.16Å; D944-D946 VanDerWaalsContact C-N 3.33Å; D944-D946 PolarHBondContact O-N 2.91Å; D946-K950 VanDerWaalsContact O-CA 3.28Å; D946-K950 WeakPolarHBondContact O-CA 3.2Å; D946-K950 WeakPolarHBondContact O-CB 3.43Å; D946-K950 PolarHBondContact O-N 2.83Å
947I81.7Confident74.2Confident117 Ų11769 Ų6960%0.634%0.341SS*.Hα-helixtrans-65.7-49.1176.2-69.3164.6000110.3A943 D944 F945 Y949 K950A943-I947 VanDerWaalsContact O-CG1 3.27Å; A943-I947 WeakPolarHBondContact O-CG1 3.42Å; A943-I947 PolarHBondContact O-N 3.22Å; D944-I947 PolarHBondContact O-N 2.76Å; F945-I947 VanDerWaalsContact C-N 3.35Å; F945-I947 PolarHBondContact O-N 3.25Å; I947-Y949 VanDerWaalsContact C-N 3.26Å; I947-Y949 PolarHBondContact O-N 2.72Å; I947-K950 WeakPolarHBondContact O-CB 3.34Å; I947-K950 PolarHBondContact O-N 3.45Å; I947-K950 VanDerWaalsContact O-N 3.17Å
948T79.9Confident72Confident26 Ų2665.9 Ų65.916%0.1633%0.328CS..Hα-helixtrans-57.8-40.9-179-59.30000111.2D537 D944 F945D537-T948 HydrophobicContact CB-CG2 4.17Å; D944-T948 VanDerWaalsContact O-CB 3.27Å; D944-T948 WeakPolarHBondContact O-CB 3.26Å; D944-T948 PolarHBondContact O-N 2.88Å; D944-T948 PolarHBondContact O-OG1 3.12Å; F945-T948 PolarHBondContact O-N 3.48Å
949Y78.6Confident69.5Low3 Ų373.4 Ų73.41%0.01236%0.358CS..THydrogen-bonded Turntrans-99.37.1-178.6-63.1-79.9000113.7G535 L838 F945 I947 S951 R952 L953G535-Y949 WeakPolarHBondContact O-CE2 3.22Å; G535-Y949 PolarHBondContact O-OH 3.34Å; L838-Y949 HydrophobicContact CB-CD1 3.59Å; L838-Y949 HydrophobicContact CB-CE1 3.64Å; L838-Y949 HydrophobicContact CD1-CD1 3.58Å; L838-Y949 HydrophobicContact CD1-CD2 4.04Å; L838-Y949 HydrophobicContact CD1-CE1 3.98Å; L838-Y949 HydrophobicContact CD1-CE2 4.41Å; L838-Y949 HydrophobicContact CD1-CG 3.67Å; L838-Y949 HydrophobicContact CD2-CD1 4.26Å; L838-Y949 HydrophobicContact CG-CD1 4.01Å; L838-Y949 HydrophobicContact CG-CE1 4.4Å; F945-Y949 HydrophobicContact CD1-CD2 4.44Å; F945-Y949 AromaticContact CD2-CD2 3.51Å; F945-Y949 HydrophobicContact CD2-CD2 3.51Å; F945-Y949 AromaticContact CD2-CE2 3.41Å; F945-Y949 HydrophobicContact CD2-CE2 3.41Å; F945-Y949 VanDerWaalsContact CD2-CE2 3.41Å; F945-Y949 HydrophobicContact CE1-CD2 4.42Å; F945-Y949 AromaticContact CE2-CD2 3.47Å; F945-Y949 HydrophobicContact CE2-CD2 3.47Å; F945-Y949 VanDerWaalsContact CE2-CD2 3.47Å; F945-Y949 AromaticContact CE2-CE2 3.35Å; F945-Y949 HydrophobicContact CE2-CE2 3.35Å; F945-Y949 HydrophobicContact CG-CD2 4.01Å; F945-Y949 HydrophobicContact CG-CE2 4.31Å; F945-Y949 AromaticContact CZ-CD2 3.95Å; F945-Y949 HydrophobicContact CZ-CD2 3.95Å; F945-Y949 HydrophobicContact CZ-CE2 4.23Å; F945-Y949 WeakPolarHBondContact O-CD2 3.38Å; F945-Y949 PolarHBondContact O-N 2.91Å; I947-Y949 VanDerWaalsContact C-N 3.26Å; I947-Y949 PolarHBondContact O-N 2.72Å; Y949-S951 VanDerWaalsContact C-N 3.31Å; Y949-S951 PolarHBondContact O-N 3.01Å; Y949-R952 HydrophobicContact CD1-CB 4.43Å; Y949-R952 VanDerWaalsContact CE1-NH1 3.29Å; Y949-R952 CarbonylContact O-C 3.59Å; Y949-R952 VanDerWaalsContact O-CA 3.28Å; Y949-R952 WeakPolarHBondContact O-CA 3.12Å; Y949-R952 WeakPolarHBondContact O-CB 3.35Å; Y949-R952 PolarHBondContact O-N 3.29Å; Y949-L953 WeakPolarHBondContact O-CG 3.38Å; Y949-L953 PolarHBondContact O-N 3.03Å
950K69.9Low67Low161 Ų16171.9 Ų71.970%0.737%0.367SS*.G310 helixtrans-54-44.1-175.1-175.3177.4177.1-1800113.1D946 I947 R952D946-K950 VanDerWaalsContact O-CA 3.28Å; D946-K950 WeakPolarHBondContact O-CA 3.2Å; D946-K950 WeakPolarHBondContact O-CB 3.43Å; D946-K950 PolarHBondContact O-N 2.83Å; I947-K950 WeakPolarHBondContact O-CB 3.34Å; I947-K950 PolarHBondContact O-N 3.45Å; I947-K950 VanDerWaalsContact O-N 3.17Å; K950-R952 PolarHBondContact O-N 3.47Å
951S58.2Low64.4Low108 Ų10869.8 Ų69.876%0.75537%0.368SS*.G310 helixtrans-71.9-12.8176.6590000113.8Y949Y949-S951 VanDerWaalsContact C-N 3.31Å; Y949-S951 PolarHBondContact O-N 3.01Å
952R59.7Low61.7Low43 Ų4371.4 Ų71.416%0.16239%0.392CS..G310 helixtrans-109.4-7.1-172.9-46.4-177-169.2164.55.6112.2L838 Y949 K950 L954L838-R952 HydrophobicContact CD2-CB 4.49Å; Y949-R952 HydrophobicContact CD1-CB 4.43Å; Y949-R952 VanDerWaalsContact CE1-NH1 3.29Å; Y949-R952 CarbonylContact O-C 3.59Å; Y949-R952 VanDerWaalsContact O-CA 3.28Å; Y949-R952 WeakPolarHBondContact O-CA 3.12Å; Y949-R952 WeakPolarHBondContact O-CB 3.35Å; Y949-R952 PolarHBondContact O-N 3.29Å; K950-R952 PolarHBondContact O-N 3.47Å; R952-L954 PolarHBondContact O-N 2.87Å
953L54Low59Low34 Ų3477.1 Ų77.118%0.17843%0.429CS..  trans-68.8123.6-178.3-76.3168.6000110.4V926 R930 Y949 S955V926-L953 HydrophobicContact CG1-CD2 4.36Å; R930-L953 VanDerWaalsContact NH2-CD2 3.31Å; Y949-L953 WeakPolarHBondContact O-CG 3.38Å; Y949-L953 PolarHBondContact O-N 3.03Å; L953-S955 PolarHBondContact O-N 2.7Å
954L53.9Low56.3Low11 Ų1179.7 Ų79.76%0.05844%0.444CS..THydrogen-bonded Turntrans-59.2-6.5-174.3-71.8159.5000115.1I915 G919 I922 A923 R952 D956 Y957 L958I915-L954 HydrophobicContact CB-CD2 4.32Å; I915-L954 HydrophobicContact CD1-CD2 3.65Å; I915-L954 HydrophobicContact CG1-CD2 3.63Å; I915-L954 HydrophobicContact CG2-CD2 3.9Å; G919-L954 WeakPolarHBondContact O-CD1 2.9Å; I922-L954 HydrophobicContact CB-CD1 4.19Å; I922-L954 HydrophobicContact CG2-CD1 3.96Å; A923-L954 HydrophobicContact CB-CD1 3.89Å; R952-L954 PolarHBondContact O-N 2.87Å; L954-D956 PolarHBondContact O-N 3.47Å; L954-D956 VanDerWaalsContact O-N 3.15Å; L954-Y957 PolarHBondContact O-N 3.03Å; L954-L958 HydrophobicContact CB-CD1 4.05Å; L954-L958 HydrophobicContact CB-CG 4.48Å; L954-L958 WeakPolarHBondContact O-CG 3.49Å; L954-L958 PolarHBondContact O-N 2.73Å
955S53.5Low53.5Low55 Ų5588.7 Ų88.739%0.38547%0.474SS..Hα-helixtrans-51.4-40.3-178.349.10000111.8L953 Y957 L958 Y959L953-S955 PolarHBondContact O-N 2.7Å; S955-Y957 PolarHBondContact O-N 2.89Å; S955-L958 PolarHBondContact O-N 3.38Å; S955-Y959 WeakPolarHBondContact O-CD2 3.21Å
956D47.8Very low50.5Low132 Ų13294.3 Ų94.371%0.70651%0.509SS*.Hα-helixtrans-69.4-21.6-175-64.8-1.7000113L954L954-D956 PolarHBondContact O-N 3.47Å; L954-D956 VanDerWaalsContact O-N 3.15Å
957Y50.6Low47.8Very low78 Ų78102.1 Ų102.131%0.30654%0.544SS..Hα-helixtrans-100-15.4-177.2-65.4-79.3000114.1L845 Q911 I915 L954 S955L845-Y957 WeakPolarHBondContact CD2-OH 3.46Å; Q911-Y957 HydrophobicContact CG-CD1 4.18Å; I915-Y957 HydrophobicContact CD1-CD2 3.77Å; I915-Y957 HydrophobicContact CD1-CE2 4.12Å; I915-Y957 HydrophobicContact CD1-CG 3.99Å; L954-Y957 PolarHBondContact O-N 3.03Å; S955-Y957 PolarHBondContact O-N 2.89Å
958L42.2Very low45Very low68 Ų68105.1 Ų105.136%0.35656%0.558SS.*Hα-helixtrans-90.8-8.5-174.6-69.4172.7000113.9L954 S955 P960 I1028L954-L958 HydrophobicContact CB-CD1 4.05Å; L954-L958 HydrophobicContact CB-CG 4.48Å; L954-L958 WeakPolarHBondContact O-CG 3.49Å; L954-L958 PolarHBondContact O-N 2.73Å; S955-L958 PolarHBondContact O-N 3.38Å; L958-P960 WeakPolarHBondContact O-CD 3.39Å; L958-I1028 HydrophobicContact CD1-CD1 3.28Å
959Y37.3Very low42.3Very low170 Ų170108.8 Ų108.867%0.66758%0.584SS**SBendtrans-91.7112.9170.7-68.2-78.6000110.1S955S955-Y959 WeakPolarHBondContact O-CD2 3.21Å
960P32.3Very low39.7Very low114 Ų114114.5 Ų114.574%0.7463%0.625SS**  trans-62.9133.8166.7-8.523000108.2L958 S962L958-P960 WeakPolarHBondContact O-CD 3.39Å; P960-S962 PolarHBondContact O-N 2.9Å
961P32.4Very low37.6Very low113 Ų113111.8 Ų111.873%0.73463%0.626SS**  trans-61.9125.6179.524-30.8000109.2T963P961-T963 PolarHBondContact O-N 3.27Å; P961-T963 VanDerWaalsContact O-N 3.08Å
962S31.5Very low35.9Very low113 Ų113114.8 Ų114.879%0.7963%0.633SS**  trans-54.9112.8173.638.20000109.1P960 S964P960-S962 PolarHBondContact O-N 2.9Å; S962-S964 PolarHBondContact O-N 3.5Å
963T32Very low34.1Very low144 Ų144120.8 Ų120.888%0.88367%0.667SS**  trans-46.3107.1176.914.10000110.4P961 R965P961-T963 PolarHBondContact O-N 3.27Å; P961-T963 VanDerWaalsContact O-N 3.08Å; T963-R965 PolarHBondContact O-N 3.28Å
964S28.4Very low32.7Very low98 Ų98125.6 Ų125.669%0.68570%0.698SS**  trans-67.4118172.145.30000108.5S962 T966S962-S964 PolarHBondContact O-N 3.5Å; S964-T966 PolarHBondContact O-N 3.19Å
965R26Very low31.3Very low247 Ų247130.4 Ų130.493%0.93273%0.733SS**  trans-56.785.4-178.4-163-179.8-172.8-145.63.5110.4T963 Q967T963-R965 PolarHBondContact O-N 3.28Å; R965-Q967 PolarHBondContact O-N 3.49Å
966T27Very low29.9Very low120 Ų120133.6 Ų133.674%0.73676%0.755SS**  trans-72.811616932.40000108.4S964 M968S964-T966 PolarHBondContact O-N 3.19Å; T966-M968 VanDerWaalsContact C-N 3.3Å; T966-M968 PolarHBondContact O-N 3.43Å
967Q26.5Very low28.8Very low189 Ų189136.7 Ų136.788%0.88376%0.762SS**  trans-56.192.8168.1-70.3176.7-20.200108.4R965 S969R965-Q967 PolarHBondContact O-N 3.49Å; Q967-S969 PolarHBondContact O-N 2.8Å
968M23.3Very low27.6Very low181 Ų181137.9 Ų137.989%0.89278%0.782SS**  trans-85.4108159.5-83.8-162.9130.700107.6T966T966-M968 VanDerWaalsContact C-N 3.3Å; T966-M968 PolarHBondContact O-N 3.43Å
969S24Very low26.8Very low102 Ų102141.3 Ų141.371%0.71381%0.806SS**  trans-44.5131.2175-51.40000112Q967 S971Q967-S969 PolarHBondContact O-N 2.8Å; S969-S971 PolarHBondContact O-N 2.92Å; S969-S971 VanDerWaalsContact O-N 3.11Å
970S23.7Very low26.2Very low123 Ų123141.3 Ų141.386%0.8681%0.812SS**SBendtrans-37.5105.8164.444.80000113.4
971S24.5Very low25.8Very low104 Ų104140.3 Ų140.373%0.72781%0.813SS**  trans-169.9143.5146.939.90000108.9S969S969-S971 PolarHBondContact O-N 2.92Å; S969-S971 VanDerWaalsContact O-N 3.11Å
972L23.7Very low25.4Very low172 Ų172142.5 Ų142.590%0.90182%0.818SS**  trans90.956.2179.8-49.9167.5000116.1
973L22.2Very low25.1Very low169 Ų169144.2 Ų144.289%0.88582%0.817SS**  trans-69.9121.7138.1-78.2152000108.1
974T23.7Very low24.8Very low134 Ų134143.3 Ų143.382%0.82281%0.814SS**  trans159.1112138.5400000111.1
975S24.9Very low24.7Very low112 Ų112144.7 Ų144.778%0.78382%0.818SS**  trans155.471.7135.460.50000110.2K977S975-K977 PolarHBondContact O-N 3.45Å; S975-K977 VanDerWaalsContact O-N 3.16Å
976S24.2Very low24.6Very low122 Ų122140 Ų14085%0.85382%0.817SS**  trans-62.4102.7159.232.40000109.3S978S976-S978 PolarHBondContact O-N 3.4Å
977K25.3Very low24.6Very low197 Ų197139 Ų13986%0.85782%0.815SS**  trans-83.3101.7161.6-80.1-175.2174.6-178.60108.2S975S975-K977 PolarHBondContact O-N 3.45Å; S975-K977 VanDerWaalsContact O-N 3.16Å
978S24.4Very low24.4Very low104 Ų104136.8 Ų136.873%0.72782%0.815SS**  trans-64121.5164.944.50000109.4S976S976-S978 PolarHBondContact O-N 3.4Å
979V25.7Very low24.6Very low140 Ų140135.5 Ų135.585%0.84881%0.81SS**  trans-98100.9166.81770000105.8
980E24Very low24.6Very low170 Ų170135.8 Ų135.879%0.79481%0.812SS**  trans-67.1128.8171.8-79.3170.1145.500109.3
981A24.4Very low24.4Very low93 Ų93133.3 Ų133.377%0.76981%0.806SS**  trans-95.6108.3174.900000108.2
982D24.9Very low24.5Very low158 Ų158135.3 Ų135.385%0.84581%0.814SS**PPolyproline II helixtrans-68.2127.4176.8-78.7-41.3000111.6
983I24.3Very low24.4Very low150 Ų150132.9 Ų132.977%0.76981%0.811SS**PPolyproline II helixtrans-79.6121.5178.1-64.4165.6000108.1T985I983-T985 PolarHBondContact O-N 3.34Å
984P25.3Very low24.6Very low124 Ų124129.9 Ų129.981%0.80581%0.805SS**PPolyproline II helixtrans-81.2117.3178.814.9-2.7000110.2
985T27.9Very low24.6Very low127 Ų127130 Ų13078%0.77981%0.805SS**PPolyproline II helixtrans-72.2133.4175.132.50000111.9I983 S987I983-T985 PolarHBondContact O-N 3.34Å; T985-S987 PolarHBondContact O-N 3.46Å
986T21.9Very low24.6Very low149 Ų149131.5 Ų131.591%0.91480%0.804SS**PPolyproline II helixtrans-51.1121.4169.516.50000112
987S27.4Very low24.6Very low98 Ų98132.1 Ų132.169%0.68580%0.803SS**  trans-125.7114.7162.548.20000110.3T985T985-S987 PolarHBondContact O-N 3.46Å
988T22.2Very low24.7Very low144 Ų144129.2 Ų129.288%0.88380%0.795SS**  trans-59.4122.8165.817.40000110
989I28Very low24.7Very low154 Ų154130.7 Ų130.779%0.7980%0.8SS**  trans-127.1104.9167.1-61-179.1000109
990S23.6Very low24.6Very low108 Ų108130 Ų13076%0.75580%0.797SS**  trans-61.3147.5162.133.40000111.7
991G21.1Very low24.6Very low71 Ų71128.2 Ų128.273%0.73280%0.797SS**  trans-65.1167.8-164.200000117.1
992T26.1Very low24.5Very low145 Ų145131.2 Ų131.289%0.8980%0.801SS**  trans-164137.7139.814.90000109.3
993S22.1Very low24.5Very low121 Ų121129 Ų12985%0.84680%0.798SS**  trans-60136.4177-31.60000112
994S26Very low24.3Very low107 Ų107128.2 Ų128.275%0.74880%0.8SS**  trans-167.1116.2142.335.70000111
995T23.6Very low24.2Very low135 Ų135128 Ų12883%0.82880%0.796SS**  trans-42.9128156.428.40000111.9
996N25.5Very low23.9Very low144 Ų144128.7 Ų128.777%0.7780%0.8SS**  trans-143.694.9153.7-96.4-20.7000109.3I998N996-I998 PolarHBondContact O-N 2.93Å
997T22.9Very low23.9Very low135 Ų135127.1 Ų127.183%0.82879%0.79SS**  trans-56.2118.2154.1300000109.6
998I27.1Very low23.7Very low136 Ų136128.7 Ų128.770%0.69780%0.796SS**  trans-130.398.2158.6-60.7-179.7000107.5N996 T1000N996-I998 PolarHBondContact O-N 2.93Å; I998-T1000 HydrophobicContact CG2-CG2 4.38Å
999T24.2Very low23.7Very low135 Ų135127.5 Ų127.583%0.82879%0.794SS**  trans-55.9122.8153.520.80000109.4
1000T25.1Very low23.4Very low127 Ų127125.7 Ų125.778%0.77979%0.79SS**  trans-137.4123.2157.2290000109.7I998I998-T1000 HydrophobicContact CG2-CG2 4.38Å
1001T24.2Very low23.4Very low131 Ų131125.7 Ų125.780%0.80479%0.79SS**  trans-72.2143.5-168.139.30000113.8
1002N22.3Very low23.5Very low157 Ų157128.9 Ų128.984%0.8479%0.79SS**  trans-40.5128167.7-66.4-26.3000113.5
1003S23.1Very low23.4Very low111 Ų111128.1 Ų128.178%0.77679%0.785SS**  trans-122.599.3156.8-68.20000107.6V1005S1003-V1005 PolarHBondContact O-N 3.48Å
1004T21.5Very low23.5Very low133 Ų133129.1 Ų129.182%0.81678%0.781SS**  trans-61.6113.217130.90000110.1
1005V23.5Very low23.4Very low119 Ų119129.5 Ų129.572%0.72178%0.784SS**  trans-115.5105162.5-179.20000107.5S1003 T1007S1003-V1005 PolarHBondContact O-N 3.48Å; V1005-T1007 HydrophobicContact CG1-CG2 4.15Å; V1005-T1007 PolarHBondContact O-N 3.24Å
1006T21.4Very low23.5Very low142 Ų142127.4 Ų127.487%0.87178%0.775SS**  trans-68.9101.2171.9-7.60000108.4
1007T22.3Very low23.4Very low116 Ų116126.2 Ų126.271%0.71278%0.778SS**  trans-106.5117.1168.246.60000110.3V1005 S1009V1005-T1007 HydrophobicContact CG1-CG2 4.15Å; V1005-T1007 PolarHBondContact O-N 3.24Å; T1007-S1009 PolarHBondContact O-N 3.34Å
1008V23Very low23.5Very low131 Ų131130 Ų13079%0.79478%0.778SS**  trans-50.8120.7172.4174.40000110.4T1010V1008-T1010 PolarHBondContact O-N 3.33Å
1009S21.3Very low23.4Very low120 Ų120127 Ų12784%0.83978%0.781SS**  trans-70.582.3178.6-52.50000111.4T1007 S1011T1007-S1009 PolarHBondContact O-N 3.34Å; S1009-S1011 PolarHBondContact O-N 2.91Å
1010T22.5Very low23.4Very low116 Ų116125.5 Ų125.571%0.71278%0.776SS**  trans-76.6106.6155.945.10000108.1V1008 N1012V1008-T1010 PolarHBondContact O-N 3.33Å; T1010-N1012 PolarHBondContact O-N 2.93Å
1011S22.3Very low23.3Very low108 Ų108128.8 Ų128.876%0.75578%0.779SS**  trans-66.475.6174.154.10000111S1009 T1013S1009-S1011 PolarHBondContact O-N 2.91Å; S1011-T1013 PolarHBondContact O-N 2.83Å
1012N22.7Very low23.3Very low137 Ų137127.9 Ų127.973%0.73377%0.774SS**  trans-83.791.3161.6-98.2-11.6000107.8T1010 N1014T1010-N1012 PolarHBondContact O-N 2.93Å; N1012-N1014 PolarHBondContact O-N 3.33Å
1013T24.3Very low23.4Very low129 Ų129131.2 Ų131.279%0.79178%0.775SS**  trans-68.478.4163.449.90000108.5S1011 S1015S1011-T1013 PolarHBondContact O-N 2.83Å; T1013-S1015 VanDerWaalsContact C-N 3.3Å; T1013-S1015 PolarHBondContact O-N 2.87Å
1014N24.8Very low23.5Very low142 Ų142132.6 Ų132.676%0.75977%0.773SS**  trans-66.798.6159.5-86.7-16.8000106.7N1012 S1016N1012-N1014 PolarHBondContact O-N 3.33Å; N1014-S1016 PolarHBondContact O-N 3.13Å
1015S24.7Very low23.8Very low115 Ų115134.5 Ų134.580%0.80477%0.771SS**  trans-62.482.1168.945.50000109.3T1013 S1017T1013-S1015 VanDerWaalsContact C-N 3.3Å; T1013-S1015 PolarHBondContact O-N 2.87Å; S1015-S1017 PolarHBondContact O-N 2.56Å
1016S24.2Very low24.2Very low92 Ų92131.7 Ų131.764%0.64377%0.765SS**  trans-63.6104.1161.457.20000107.1N1014 Y1018N1014-S1016 PolarHBondContact O-N 3.13Å; S1016-Y1018 PolarHBondContact O-N 3.29Å
1017S24.8Very low24.6Very low118 Ų118132.9 Ų132.983%0.82576%0.759SS**  trans-64.979.1175.265.60000109.8S1015 G1019S1015-S1017 PolarHBondContact O-N 2.56Å; S1017-G1019 PolarHBondContact O-N 2.97Å; S1017-G1019 VanDerWaalsContact O-N 3.09Å
1018Y25Very low25.1Very low215 Ų215130.8 Ų130.884%0.84374%0.742SS**  trans-69.5103.7159.9-95.9-86.6000106.5S1016 S1020S1016-Y1018 PolarHBondContact O-N 3.29Å; Y1018-S1020 VanDerWaalsContact C-N 3.29Å; Y1018-S1020 PolarHBondContact O-N 3.15Å
1019G24.2Very low25.8Very low74 Ų74125.7 Ų125.776%0.76371%0.714SS**  trans-56.492.1175.500000110.1S1017 K1021S1017-G1019 PolarHBondContact O-N 2.97Å; S1017-G1019 VanDerWaalsContact O-N 3.09Å; G1019-K1021 PolarHBondContact O-N 2.77Å; G1019-K1021 VanDerWaalsContact O-N 3.14Å
1020S24Very low26.3Very low102 Ų102122.1 Ų122.171%0.71370%0.696SS**  trans-58.8116.6163.1-170.90000106.1Y1018 V1022Y1018-S1020 VanDerWaalsContact C-N 3.29Å; Y1018-S1020 PolarHBondContact O-N 3.15Å; S1020-V1022 PolarHBondContact O-N 3.01Å
1021K22.8Very low27Very low196 Ų196119 Ų11985%0.85268%0.682SS**  trans-60.587.1168.6-75.1-180177.1176.80107G1019 R1023G1019-K1021 PolarHBondContact O-N 2.77Å; G1019-K1021 VanDerWaalsContact O-N 3.14Å; K1021-R1023 PolarHBondContact O-N 3.38Å
1022V25.1Very low27.6Very low113 Ų113121 Ų12169%0.68568%0.684SS**  trans-57.4106.9169.2179.90000105.2S1020 N1024S1020-V1022 PolarHBondContact O-N 3.01Å; V1022-N1024 PolarHBondContact O-N 3.07Å
1023R24.2Very low28.2Very low227 Ų227121 Ų12186%0.85768%0.68SS**  trans-56.6122.8178.1-70.5178.7175.7-179.8-1.6107.1K1021 F1025K1021-R1023 PolarHBondContact O-N 3.38Å; R1023-F1025 PolarHBondContact O-N 3.19Å
1024N24.2Very low29.2Very low140 Ų140120 Ų12075%0.74969%0.685SS**  trans-42.2107.2-179.3-80.4-15.8000110.8V1022V1022-N1024 PolarHBondContact O-N 3.07Å
1025F28.7Very low30.6Very low173 Ų173118.3 Ų118.376%0.75967%0.671SS**PPolyproline II helixtrans-65.1130.8159-88.3-93.4000106.9R1023 F1027R1023-F1025 PolarHBondContact O-N 3.19Å; F1025-F1027 PolarHBondContact O-N 2.77Å
1026G30.7Very low32.2Very low59 Ų59115.5 Ų115.561%0.60865%0.649SS**PPolyproline II helixtrans-50.2133.7-175.700000111.6
1027F30.9Very low34.1Very low167 Ų167113.1 Ų113.173%0.73263%0.634SS**PPolyproline II helixtrans-60.9147-176.5-73.5-88.3000111.5F1025 A1029F1025-F1027 PolarHBondContact O-N 2.77Å; F1027-A1029 PolarHBondContact O-N 2.84Å
1028I33.4Very low35.8Very low73 Ų73107.6 Ų107.637%0.37460%0.596SS.*PPolyproline II helixtrans-54116.8178-60.4169.1000108.9A923 L958A923-I1028 HydrophobicContact CB-CD1 3.81Å; L958-I1028 HydrophobicContact CD1-CD1 3.28Å
1029A36.9Very low37.6Very low23 Ų23101.2 Ų101.219%0.1960%0.595CS.*PPolyproline II helixtrans-66.9139.3167.700000108.8F1027 Q1033F1027-A1029 PolarHBondContact O-N 2.84Å; A1029-Q1033 HydrophobicContact CB-CB 4.44Å
1030G32.7Very low39.3Very low46 Ų46104.2 Ų104.247%0.47459%0.588SS.*PPolyproline II helixtrans-52.7144.7170.600000109.9N1032 Q1033G1030-N1032 PolarHBondContact O-N 3.29Å; G1030-Q1033 PolarHBondContact O-N 2.75Å
1031A36.8Very low40.8Very low49 Ų49101.7 Ų101.741%0.40557%0.569SS.*THydrogen-bonded Turntrans-52.9-3.9-161.900000117.7
1032N33.9Very low42.4Very low152 Ų15295 Ų9581%0.81356%0.556SS**THydrogen-bonded Turntrans-128.222.9-171.7-61.6-12.7000114.6G1030G1030-N1032 PolarHBondContact O-N 3.29Å
1033Q36.8Very low44.2Very low137 Ų13796 Ų9664%0.6455%0.547SS*.  trans-109.9118.8179.6-71.3-176.5-8.600113.4A1029 G1030A1029-Q1033 HydrophobicContact CB-CB 4.44Å; G1030-Q1033 PolarHBondContact O-N 2.75Å
1034A45.3Very low46Very low108 Ų10889.6 Ų89.689%0.89352%0.523SS*.  trans-64.7145163.600000110.3
1035F53.8Low47.8Very low105 Ų10584.9 Ų84.946%0.46150%0.498SS..  trans-124.9151.2-179.265.7-91.3000112.6R1044F1035-R1044 HydrophobicContact CB-CG 4.1Å; F1035-R1044 VanDerWaalsContact CB-CZ 3.45Å; F1035-R1044 HydrophobicContact CD2-CG 3.82Å; F1035-R1044 HydrophobicContact CG-CG 4.2Å; F1035-R1044 VanDerWaalsContact CG-CZ 3.47Å
1036V58.5Low49.2Very low57 Ų5783.2 Ų83.235%0.34549%0.492SS..EExtended strand (participates in β ladder)trans-102.2139.3174.9-171.90000108.8L1045 L1124 W1213V1036-L1045 HydrophobicContact CG1-CD1 4.06Å; V1036-L1045 PolarHBondContact O-N 2.93Å; V1036-L1124 HydrophobicContact CG1-CD2 3.99Å; V1036-W1213 HydrophobicContact CG2-CH2 4.33Å
1037A62.8Low50Low41 Ų4186 Ų8634%0.33950%0.5SS..EExtended strand (participates in β ladder)trans-127.1153.9176.400000111.3G1039 W1043A1037-G1039 PolarHBondContact O-N 3.31Å; A1037-W1043 CarbonylContact C-O 3.58Å; A1037-W1043 VanDerWaalsContact CA-O 3.27Å; A1037-W1043 WeakPolarHBondContact CA-O 3.42Å
1038C62Low50.4Low3 Ų384.5 Ų84.52%0.0250%0.495CS..  trans-64.5118.3176176.10000110.3F1040 C1041 G1042 W1043 L1045 C1107 C1110C1038-F1040 PolarHBondContact O-N 2.94Å; C1038-C1041 PolarHBondContact O-N 3.17Å; C1038-C1041 VanDerWaalsContact SG-SG 3.65Å; C1038-G1042 VanDerWaalsContact O-CA 3.31Å; C1038-G1042 WeakPolarHBondContact O-CA 3.49Å; C1038-G1042 PolarHBondContact O-N 3.06Å; C1038-W1043 HydrophobicContact CB-CB 4.35Å; C1038-W1043 PolarHBondContact N-O 2.86Å; C1038-L1045 HydrophobicContact CB-CD2 4.47Å; C1038-C1107 HydrophobicContact CB-CB 4.11Å; C1038-C1107 VanDerWaalsContact SG-CB 3.57Å; C1038-C1107 VanDerWaalsContact SG-SG 3.61Å; C1038-C1110 VanDerWaalsContact SG-SG 3.63Å
1039G62.2Low50.4Low80 Ų8088.4 Ų88.483%0.82552%0.517SS*.THydrogen-bonded Turntrans-59.5-17.4178.400000115.2A1037A1037-G1039 PolarHBondContact O-N 3.31Å
1040F59.4Low50.1Low138 Ų13893.8 Ų93.861%0.60554%0.542SS*.THydrogen-bonded Turntrans-88.2-38178.3-64.9-79.9000114.1C1038 K1112 P1113C1038-F1040 PolarHBondContact O-N 2.94Å; F1040-K1112 HydrophobicContact CB-CB 4.2Å; F1040-K1112 HydrophobicContact CB-CG 4.16Å; F1040-K1112 HydrophobicContact CD1-CB 4.43Å; F1040-K1112 HydrophobicContact CD1-CG 4.26Å; F1040-K1112 HydrophobicContact CD2-CB 3.52Å; F1040-K1112 HydrophobicContact CD2-CG 4.21Å; F1040-K1112 HydrophobicContact CE2-CB 3.95Å; F1040-K1112 HydrophobicContact CG-CB 3.79Å; F1040-K1112 HydrophobicContact CG-CG 3.95Å; F1040-P1113 WeakPolarHBondContact CE2-O 3.49Å
1041C56.2Low49.8Very low48 Ų48101.3 Ų101.332%0.32456%0.562SS.*THydrogen-bonded Turntrans-126.4-1.9-173.5660000114.8C1038 W1043 C1110C1038-C1041 PolarHBondContact O-N 3.17Å; C1038-C1041 VanDerWaalsContact SG-SG 3.65Å; C1041-W1043 PolarHBondContact O-N 3.36Å; C1041-W1043 WeakPolarHBondContact SG-CB 3.23Å; C1041-C1110 HydrophobicContact CB-CB 3.82Å
1042G55.3Low49.4Very low56 Ų56105.4 Ų105.458%0.57758%0.577SS**  trans72.54.4-176.500000114.6C1038 R1044C1038-G1042 VanDerWaalsContact O-CA 3.31Å; C1038-G1042 WeakPolarHBondContact O-CA 3.49Å; C1038-G1042 PolarHBondContact O-N 3.06Å; G1042-R1044 PolarHBondContact O-N 3.07Å
1043W63.6Low49Very low133 Ų133105.2 Ų105.250%0.50458%0.575SS.*  trans-67.1126.2-178-171.1-86.3000112A1037 C1038 C1041 L1045 H1109A1037-W1043 CarbonylContact C-O 3.58Å; A1037-W1043 VanDerWaalsContact CA-O 3.27Å; A1037-W1043 WeakPolarHBondContact CA-O 3.42Å; C1038-W1043 HydrophobicContact CB-CB 4.35Å; C1038-W1043 PolarHBondContact N-O 2.86Å; C1041-W1043 PolarHBondContact O-N 3.36Å; C1041-W1043 WeakPolarHBondContact SG-CB 3.23Å; W1043-L1045 PolarHBondContact O-N 3.06Å; W1043-H1109 HydrophobicContact CB-CB 3.77Å; W1043-H1109 HydrophobicContact CD2-CB 3.56Å; W1043-H1109 AromaticContact CD2-CD2 3.92Å; W1043-H1109 AromaticContact CD2-CG 3.79Å; W1043-H1109 HydrophobicContact CE3-CB 3.77Å; W1043-H1109 AromaticContact CE3-CD2 3.2Å; W1043-H1109 AromaticContact CE3-CG 3.42Å; W1043-H1109 VanDerWaalsContact CE3-CG 3.42Å; W1043-H1109 AromaticContact CE3-NE2 3.82Å; W1043-H1109 HydrophobicContact CG-CB 3.55Å; W1043-H1109 AromaticContact CZ3-CD2 3.37Å; W1043-H1109 WeakPolarHBondContact CZ3-CD2 3.31Å; W1043-H1109 AromaticContact CZ3-NE2 3.88Å
1044R61.2Low48.3Very low94 Ų94106.4 Ų106.436%0.35558%0.583SS.*EExtended strand (participates in β ladder)trans-65.3127.5178.9-169.1168.8178.6159.92.9110.9F1035 G1042F1035-R1044 HydrophobicContact CB-CG 4.1Å; F1035-R1044 VanDerWaalsContact CB-CZ 3.45Å; F1035-R1044 HydrophobicContact CD2-CG 3.82Å; F1035-R1044 HydrophobicContact CG-CG 4.2Å; F1035-R1044 VanDerWaalsContact CG-CZ 3.47Å; G1042-R1044 PolarHBondContact O-N 3.07Å
1045L63.6Low47.4Very low40 Ų40110.5 Ų110.521%0.20958%0.581CS.*EExtended strand (participates in β ladder)trans-91108.3179.3-56.4175.6000107.8V1036 C1038 W1043 L1114 L1124V1036-L1045 HydrophobicContact CG1-CD1 4.06Å; V1036-L1045 PolarHBondContact O-N 2.93Å; C1038-L1045 HydrophobicContact CB-CD2 4.47Å; W1043-L1045 PolarHBondContact O-N 3.06Å; L1045-L1114 HydrophobicContact CD1-CD1 4.27Å; L1045-L1114 HydrophobicContact CD1-CD2 3.66Å; L1045-L1114 HydrophobicContact CD2-CD2 3.92Å; L1045-L1114 HydrophobicContact CG-CD2 4.47Å; L1045-L1124 HydrophobicContact CD1-CD2 3.77Å
1046E56.7Low46Very low138 Ų138113 Ų11365%0.64560%0.599SS**  trans-73.9141.9177.5-75178.8167.200111Q1048E1046-Q1048 PolarHBondContact O-N 3.44Å
1047P47.9Very low44.4Very low118 Ų118116.8 Ų116.877%0.76662%0.623SS**  trans-65.2107.1160.9-5.920.8000107.2N1049P1047-N1049 VanDerWaalsContact C-N 3.34Å; P1047-N1049 PolarHBondContact O-N 3.1Å
1048Q40.5Very low42.6Very low136 Ų136117.3 Ų117.364%0.63663%0.632SS**  trans-65.4100.9169.8-66.3-158.43.100107E1046 N1050E1046-Q1048 PolarHBondContact O-N 3.44Å; Q1048-N1050 PolarHBondContact O-N 3.18Å
1049N32.7Very low40.7Very low154 Ų154122.9 Ų122.982%0.82467%0.67SS**  trans-51.9110.5163.2-95.3-15.3000106.3P1047 K1051P1047-N1049 VanDerWaalsContact C-N 3.34Å; P1047-N1049 PolarHBondContact O-N 3.1Å; N1049-K1051 VanDerWaalsContact C-N 3.26Å; N1049-K1051 PolarHBondContact O-N 2.91Å
1050N31.5Very low38.9Very low136 Ų136126.8 Ų126.873%0.72767%0.67SS**  trans-52.688.6-179-82.8-31000109.6Q1048 L1052Q1048-N1050 PolarHBondContact O-N 3.18Å; N1050-L1052 HydrophobicContact CB-CD1 4.05Å; N1050-L1052 HydrophobicContact CB-CG 4.2Å; N1050-L1052 PolarHBondContact O-N 3.45Å
1051K25.5Very low37.3Very low204 Ų204125.8 Ų125.889%0.88768%0.68SS**  trans-73.864153.2-73.7-175.2177.5178.30106.4N1049 N1053N1049-K1051 VanDerWaalsContact C-N 3.26Å; N1049-K1051 PolarHBondContact O-N 2.91Å; K1051-N1053 PolarHBondContact O-N 2.89Å; K1051-N1053 VanDerWaalsContact O-N 3.14Å
1052L27.7Very low35.7Very low136 Ų136127.2 Ų127.271%0.71270%0.703SS**  trans-61.2115.7166.9-92.1158.8000106N1050 M1054N1050-L1052 HydrophobicContact CB-CD1 4.05Å; N1050-L1052 HydrophobicContact CB-CG 4.2Å; N1050-L1052 PolarHBondContact O-N 3.45Å; L1052-M1054 PolarHBondContact O-N 3.07Å
1053N25.6Very low34.2Very low147 Ų147130 Ų13079%0.78672%0.72SS**  trans-45.998.8176.2-73.9-38.7000110.3K1051 F1055K1051-N1053 PolarHBondContact O-N 2.89Å; K1051-N1053 VanDerWaalsContact O-N 3.14Å; N1053-F1055 PolarHBondContact O-N 3.04Å
1054M23.2Very low32.4Very low163 Ų163127.1 Ų127.180%0.80373%0.732SS**  trans-73.368.7162.6-81.1-162.972.300109L1052L1052-M1054 PolarHBondContact O-N 3.07Å
1055F26.4Very low30.6Very low193 Ų193128.6 Ų128.685%0.84676%0.757SS**  trans-136.166.3158.9-77.9-72000107.4N1053N1053-F1055 PolarHBondContact O-N 3.04Å
1056N24.8Very low28.6Very low158 Ų158130.8 Ų130.885%0.84579%0.789SS**  trans-158.861.1152.6-131.19.6000110.6G1058N1056-G1058 PolarHBondContact O-N 2.65Å
1057T23.5Very low27.1Very low137 Ų137128.1 Ų128.184%0.8480%0.798SS**  trans-76.773.3159.920.80000108.3
1058G24.6Very low25.9Very low52 Ų52127.8 Ų127.854%0.53680%0.799SS.*  trans-95.597.4169.200000109.9N1056N1056-G1058 PolarHBondContact O-N 2.65Å
1059C22.5Very low25.1Very low120 Ų120128.5 Ų128.581%0.81181%0.807SS**  trans19105.314826.50000118.4S1061C1059-S1061 PolarHBondContact O-N 2.65Å
1060I25.2Very low24.8Very low162 Ų162128 Ų12883%0.83181%0.81SS**  trans7.9108.8139-54.3173.9000114.8G1062I1060-G1062 PolarHBondContact O-N 2.83Å
1061S24.5Very low24.4Very low116 Ų116126.2 Ų126.281%0.81181%0.808SS**  trans-31112.7159.747.70000114.9C1059C1059-S1061 PolarHBondContact O-N 2.65Å
1062G23.8Very low24.4Very low78 Ų78123.3 Ų123.380%0.80480%0.802SS**  trans-93.5118.4154.900000109.7I1060I1060-G1062 PolarHBondContact O-N 2.83Å
1063A23Very low24.2Very low114 Ų114122.6 Ų122.694%0.94280%0.804SS**  trans-72.5120.3164.100000108.6
1064G25.2Very low24.2Very low74 Ų74124.2 Ų124.276%0.76381%0.809SS**  trans-161.9104.2-179.200000110.6
1065S23.6Very low24.3Very low125 Ų125123.7 Ų123.787%0.87481%0.809SS**  trans-53.4144.5-175-43.90000116.2
1066G22.2Very low24.1Very low86 Ų86120 Ų12089%0.88781%0.807SS**  trans71112.7138.100000118.4
1067G25.4Very low24.2Very low81 Ų81118.6 Ų118.684%0.83581%0.807SS**  trans168.3100.4165.300000113.7
1068S22.8Very low24.3Very low112 Ų112117.2 Ų117.278%0.78380%0.803SS**  trans-67.5148.5177.8-39.10000113.4
1069N22.7Very low24.4Very low150 Ų150123.7 Ų123.780%0.80282%0.821SS**  trans53.6113.1154.6-63.3-11.3000118.7
1070T27.2Very low24.5Very low143 Ų143125 Ų12588%0.87782%0.819SS**  -176.4138.3116.126.30000111.6
1071S22.7Very low24.5Very low99 Ų99124.5 Ų124.569%0.69282%0.818SS**  trans-53.6142.216746.80000114.1
1072N25.7Very low24.5Very low143 Ų143125.3 Ų125.377%0.76582%0.818SS**  trans171.2102.1137.2-85.7-16.2000108.6
1073T24Very low24.6Very low121 Ų121127 Ų12774%0.74282%0.815SS**  51.8110.6103.3490000114.7
1074M24.5Very low24.6Very low181 Ų181127.8 Ų127.889%0.89281%0.812SS**  trans-165.3105.5136.4-84.8-133.4156.400111.8
1075N26.4Very low24.5Very low153 Ų153129.9 Ų129.982%0.81882%0.815SS**  trans44.3104.5136.4-64.7-9.5000121.3
1076S22.4Very low24.8Very low115 Ų115129.7 Ų129.780%0.80481%0.811SS**  trans-74.3140.5153-43.70000111.5
1077P26.3Very low25Very low129 Ų129132.4 Ų132.484%0.83881%0.811SS**  trans-84.5115.917031.3-26.7000110
1078S26Very low24.9Very low108 Ų108133.2 Ų133.276%0.75581%0.809SS**  trans-76.9114.1-179.651.70000111.9
1079M26.3Very low25.2Very low187 Ų187134.2 Ų134.292%0.92181%0.811SS**  trans-76.5127.8157.7-78.3-76.2-15600108.6D1081M1079-D1081 PolarHBondContact O-N 3.35Å
1080I24.7Very low25.3Very low148 Ų148132.8 Ų132.876%0.75981%0.808SS**  trans-78.5105-175.3-63.5162.4000108.4
1081D24.9Very low25.1Very low151 Ų151131.5 Ų131.581%0.80780%0.8SS**  trans-121.6108.4157.3-91.9-31.7000107.3M1079 P1083M1079-D1081 PolarHBondContact O-N 3.35Å; D1081-P1083 WeakPolarHBondContact O-CD 3.27Å
1082T24.1Very low25.2Very low133 Ų133132.1 Ų132.182%0.81680%0.8SS**  trans-66.1111.3-176.3-400000110.6
1083P25.6Very low25.3Very low113 Ų113132.3 Ų132.373%0.73481%0.806SS**  trans-93115.5176.36.214.9000109.6D1081 S1085D1081-P1083 WeakPolarHBondContact O-CD 3.27Å; P1083-S1085 PolarHBondContact O-N 2.88Å
1084C23.2Very low25.4Very low132 Ų132133 Ų13389%0.89281%0.805SS**PPolyproline II helixtrans-56.7116.8166.1-95.20000110P1086C1084-P1086 WeakPolarHBondContact O-CD 3.48Å
1085S24.5Very low25.4Very low118 Ų118132.7 Ų132.783%0.82581%0.806SS**PPolyproline II helixtrans-70.1123.2174.2-54.30000111P1083P1083-S1085 PolarHBondContact O-N 2.88Å
1086P29.2Very low25.3Very low121 Ų121133.3 Ų133.379%0.78680%0.804SS**PPolyproline II helixtrans-87.3123.3164.719.7-5.2000109.5C1084C1084-P1086 WeakPolarHBondContact O-CD 3.48Å
1087T26.5Very low25.5Very low143 Ų143136 Ų13688%0.87781%0.806SS**PPolyproline II helixtrans-58.9132.6170.732.70000111.5
1088A23.3Very low25.6Very low98 Ų98139.2 Ų139.281%0.8181%0.81SS**PPolyproline II helixtrans-71128.7-174.800000113.5
1089T28.5Very low25.7Very low132 Ų132138.1 Ų138.181%0.8182%0.815SS**  trans-141.5100.7149.538.70000108.5
1090T25.2Very low25.9Very low121 Ų121133 Ų13374%0.74281%0.81SS**  trans-6.7141.2143.748.20000115.9
1091T24.2Very low26.4Very low115 Ų115128.6 Ų128.671%0.70680%0.801SS**  cis-172.7143.910.3120000108
1092T23.2Very low27.5Very low113 Ų113123.8 Ų123.869%0.69379%0.788SS**  trans65.2100.9148.559.60000121.4
1093T29.4Very low29Very low146 Ų146125.6 Ų125.690%0.89678%0.784SS**  -152.1105.3116.446.60000109.3
1094N25.1Very low30.8Very low137 Ų137125.1 Ų125.173%0.73378%0.775SS**  trans-76.7113.4-175.2-76.4-40.3000112.2
1095L24.2Very low33.2Very low173 Ų173119.9 Ų119.991%0.90674%0.739SS**  trans-108.282.5148.6-79.6169.8000107.3M1097L1095-M1097 PolarHBondContact O-N 3.46Å
1096Q24.7Very low35.7Very low166 Ų166117.2 Ų117.278%0.77672%0.715SS**  trans-74.693.5179.6-158.5170.42.700108.2H1098Q1096-H1098 PolarHBondContact O-N 3.11Å; Q1096-H1098 VanDerWaalsContact O-N 3.14Å
1097M25.6Very low37.6Very low173 Ų173111.5 Ų111.585%0.85268%0.677SS**  trans-49.1116.9164-75.2-89.5-69.800108.3L1095 G1099L1095-M1097 PolarHBondContact O-N 3.46Å; M1097-G1099 PolarHBondContact O-N 3.3Å
1098H28.5Very low39.9Very low196 Ų196110 Ų11091%0.90766%0.66SS**  trans-54.5103170.3-82.1-74000109Q1096Q1096-H1098 PolarHBondContact O-N 3.11Å; Q1096-H1098 VanDerWaalsContact O-N 3.14Å
1099G28.1Very low42.1Very low84 Ų84110.6 Ų110.687%0.86665%0.646SS**  trans-66.7128.1173.500000109.7M1097M1097-G1099 PolarHBondContact O-N 3.3Å
1100G31.7Very low44.1Very low79 Ų79106.3 Ų106.381%0.81462%0.621SS**  trans160.1-18.2170.500000116.6G1102G1100-G1102 PolarHBondContact O-N 2.91Å
1101G35Very low46.4Very low56 Ų56110 Ų11058%0.57762%0.622SS**  trans-80.4104.8-177.600000112.8
1102G47.6Very low48.7Very low51 Ų51109.5 Ų109.553%0.52661%0.61SS.*  trans-60178.117400000113.8G1100 L1104 T1105G1100-G1102 PolarHBondContact O-N 2.91Å; G1102-L1104 PolarHBondContact O-N 3.36Å; G1102-T1105 PolarHBondContact O-N 3.29Å; G1102-T1105 PolarHBondContact O-OG1 3.3Å
1103K56.3Low51.2Low170 Ų170107.1 Ų107.174%0.73960%0.596SS**THydrogen-bonded Turntrans-50.6-10.2-176.4-66.6178.5-179.2175.70116Q1108K1103-Q1108 PolarHBondContact O-NE2 2.97Å
1104L62.1Low53.5Low104 Ų104101 Ų10155%0.54556%0.558SS.*THydrogen-bonded Turntrans-84.2-15.5-176.4-65.1168.3000114.3G1102G1102-L1104 PolarHBondContact O-N 3.36Å
1105T73.6Confident56.1Low21 Ų2197.7 Ų97.713%0.12954%0.544CS..SBendtrans-94.7-0.4-174.859.30000114.1G1102 L1114 H1123G1102-T1105 PolarHBondContact O-N 3.29Å; G1102-T1105 PolarHBondContact O-OG1 3.3Å; T1105-L1114 PolarHBondContact O-N 3.06Å; T1105-H1123 HydrophobicContact CG2-CB 4.02Å
1106I77.1Confident58.9Low63 Ų6396.2 Ų96.232%0.32353%0.526SS..BIsolated β-bridgetrans-127.9149.2-177.460.6171000111.1Q1108 K1112I1106-Q1108 PolarHBondContact O-N 3.49Å; I1106-K1112 WeakPolarHBondContact CA-O 3.07Å
1107C70.6Confident61.8Low0 Ų088.3 Ų88.30%049%0.489CS..  trans-66.7125.7171.3176.10000110.4C1038 H1109 C1110 R1111 K1112 L1114C1038-C1107 HydrophobicContact CB-CB 4.11Å; C1038-C1107 VanDerWaalsContact SG-CB 3.57Å; C1038-C1107 VanDerWaalsContact SG-SG 3.61Å; C1107-H1109 PolarHBondContact O-N 3.29Å; C1107-H1109 VanDerWaalsContact O-N 3.17Å; C1107-H1109 PolarHBondContact SG-N 3.14Å; C1107-H1109 VanDerWaalsContact SG-N 3.43Å; C1107-C1110 VanDerWaalsContact SG-SG 3.69Å; C1107-R1111 WeakPolarHBondContact O-CA 3.39Å; C1107-R1111 PolarHBondContact O-N 3.49Å; C1107-K1112 PolarHBondContact N-O 3.29Å; C1107-L1114 HydrophobicContact CB-CD2 4.13Å
1108Q74Confident64.7Low111 Ų11181.1 Ų81.152%0.51946%0.456SS..THydrogen-bonded Turntrans-64.8-21.2179.8-65.2-62.6-32.600113.5K1103 I1106K1103-Q1108 PolarHBondContact O-NE2 2.97Å; I1106-Q1108 PolarHBondContact O-N 3.49Å
1109H70.4Confident67.4Low111 Ų11174.6 Ų74.651%0.51443%0.428SS..THydrogen-bonded Turntrans-86.8-56.6-179-175.9-99.6000112.8W1043 C1107W1043-H1109 HydrophobicContact CB-CB 3.77Å; W1043-H1109 HydrophobicContact CD2-CB 3.56Å; W1043-H1109 AromaticContact CD2-CD2 3.92Å; W1043-H1109 AromaticContact CD2-CG 3.79Å; W1043-H1109 HydrophobicContact CE3-CB 3.77Å; W1043-H1109 AromaticContact CE3-CD2 3.2Å; W1043-H1109 AromaticContact CE3-CG 3.42Å; W1043-H1109 VanDerWaalsContact CE3-CG 3.42Å; W1043-H1109 AromaticContact CE3-NE2 3.82Å; W1043-H1109 HydrophobicContact CG-CB 3.55Å; W1043-H1109 AromaticContact CZ3-CD2 3.37Å; W1043-H1109 WeakPolarHBondContact CZ3-CD2 3.31Å; W1043-H1109 AromaticContact CZ3-NE2 3.88Å; C1107-H1109 PolarHBondContact O-N 3.29Å; C1107-H1109 VanDerWaalsContact O-N 3.17Å; C1107-H1109 PolarHBondContact SG-N 3.14Å; C1107-H1109 VanDerWaalsContact SG-N 3.43Å
1110C68.9Low70.1Confident42 Ų4272.6 Ų72.628%0.28440%0.4SS..THydrogen-bonded Turntrans-100-4.5-17768.10000114.4C1038 C1041 C1107 K1112C1038-C1110 VanDerWaalsContact SG-SG 3.63Å; C1041-C1110 HydrophobicContact CB-CB 3.82Å; C1107-C1110 VanDerWaalsContact SG-SG 3.69Å; C1110-K1112 HydrophobicContact CB-CG 4.43Å; C1110-K1112 PolarHBondContact O-N 2.68Å
1111R74Confident72.7Confident199 Ų19973.8 Ų73.875%0.75139%0.387SS*.  trans58.110.9-176.6-56-172.8-179.61690.3115.4C1107C1107-R1111 WeakPolarHBondContact O-CA 3.39Å; C1107-R1111 PolarHBondContact O-N 3.49Å
1112K72.9Confident74.9Confident105 Ų10573.8 Ų73.846%0.45737%0.373SS..PPolyproline II helixtrans-74.1147.8171-64.7-67.8-172.7178.40110.3F1040 I1106 C1107 C1110F1040-K1112 HydrophobicContact CB-CB 4.2Å; F1040-K1112 HydrophobicContact CB-CG 4.16Å; F1040-K1112 HydrophobicContact CD1-CB 4.43Å; F1040-K1112 HydrophobicContact CD1-CG 4.26Å; F1040-K1112 HydrophobicContact CD2-CB 3.52Å; F1040-K1112 HydrophobicContact CD2-CG 4.21Å; F1040-K1112 HydrophobicContact CE2-CB 3.95Å; F1040-K1112 HydrophobicContact CG-CB 3.79Å; F1040-K1112 HydrophobicContact CG-CG 3.95Å; I1106-K1112 WeakPolarHBondContact CA-O 3.07Å; C1107-K1112 PolarHBondContact N-O 3.29Å; C1110-K1112 HydrophobicContact CB-CG 4.43Å; C1110-K1112 PolarHBondContact O-N 2.68Å
1113P75.1Confident76.4Confident62 Ų6272.3 Ų72.340%0.40335%0.352SS..BIsolated β-bridgetrans-60.2144.9178.323.5-32.5000111.6F1040F1040-P1113 WeakPolarHBondContact CE2-O 3.49Å
1114L78.2Confident77.3Confident17 Ų1765.6 Ų65.69%0.08932%0.324CS..PPolyproline II helixtrans-74160.2171.9-64.2-178.7000110.8L1045 T1105 C1107 H1123 L1124L1045-L1114 HydrophobicContact CD1-CD1 4.27Å; L1045-L1114 HydrophobicContact CD1-CD2 3.66Å; L1045-L1114 HydrophobicContact CD2-CD2 3.92Å; L1045-L1114 HydrophobicContact CG-CD2 4.47Å; T1105-L1114 PolarHBondContact O-N 3.06Å; C1107-L1114 HydrophobicContact CB-CD2 4.13Å; L1114-H1123 PolarHBondContact O-ND1 3.36Å; L1114-L1124 HydrophobicContact CB-CB 4.15Å
1115P78.8Confident77.7Confident69 Ų6963.3 Ų63.345%0.44833%0.326SS..PPolyproline II helixtrans-53.8146.4178-24.734.4000112H1123 L1124 F1211P1115-H1123 CarbonylContact O-C 3.56Å; P1115-H1123 WeakPolarHBondContact O-CA 3.39Å; P1115-L1124 PolarHBondContact O-N 2.93Å; P1115-F1211 HydrophobicContact CB-CZ 4.46Å
1116R83.8Confident77.5Confident141 Ų14164.5 Ų64.553%0.53233%0.333SS..BIsolated β-bridgetrans-103149.9176.5-68173.4-178.8-99.36110.4S1118 L1121 M1122 H1123R1116-S1118 PolarHBondContact O-N 2.95Å; R1116-L1121 WeakPolarHBondContact CD-O 3.47Å; R1116-L1121 WeakPolarHBondContact CG-O 3.38Å; R1116-L1121 PolarHBondContact NH1-O 3.29Å; R1116-M1122 CarbonylContact C-O 3.2Å; R1116-M1122 WeakPolarHBondContact CA-O 3.36Å; R1116-H1123 WeakPolarHBondContact CG-ND1 3.38Å; R1116-H1123 PolarHBondContact NE-CE1 3.45Å; R1116-H1123 PolarHBondContact NE-NE2 2.94Å; R1116-H1123 PolarHBondContact NH2-NE2 3.23Å
1117C85.1Confident76.8Confident0 Ų066.5 Ų66.50%035%0.352CS..PPolyproline II helixtrans-64.7129.8168.8167.40000109.8I1119 C1120 L1121 M1122 F1211 G1220 G1221 H1222C1117-I1119 PolarHBondContact O-N 3.27Å; C1117-I1119 VanDerWaalsContact O-N 3.08Å; C1117-I1119 PolarHBondContact SG-N 3.37Å; C1117-C1120 VanDerWaalsContact CB-SG 3.52Å; C1117-L1121 WeakPolarHBondContact O-CA 3.4Å; C1117-L1121 PolarHBondContact O-N 3.34Å; C1117-M1122 PolarHBondContact N-O 3.09Å; C1117-F1211 HydrophobicContact CB-CE2 3.96Å; C1117-G1220 WeakPolarHBondContact CA-O 3.32Å; C1117-G1221 WeakPolarHBondContact SG-CA 2.99Å; C1117-H1222 PolarHBondContact SG-N 3.29Å; C1117-H1222 VanDerWaalsContact SG-N 3.42Å
1118S86.4Confident76.4Confident23 Ų2368.1 Ų68.116%0.16136%0.361CS..THydrogen-bonded Turntrans-60.6-17.7-17952.30000114.8R1116 G1220 P1247R1116-S1118 PolarHBondContact O-N 2.95Å; S1118-G1220 PolarHBondContact N-O 3.15Å; S1118-G1220 PolarHBondContact OG-O 3.01Å; S1118-P1247 VanDerWaalsContact OG-CG 3.23Å; S1118-P1247 WeakPolarHBondContact OG-CG 3.46Å
1119I85Confident75.7Confident59 Ų5967.3 Ų67.330%0.30337%0.365SS..THydrogen-bonded Turntrans-101.5-64.5-176.5-63.6167.5000110.2C1117 L1121 H1225 L1226 W1229 P1247C1117-I1119 PolarHBondContact O-N 3.27Å; C1117-I1119 VanDerWaalsContact O-N 3.08Å; C1117-I1119 PolarHBondContact SG-N 3.37Å; I1119-L1121 VanDerWaalsContact C-N 3.35Å; I1119-L1121 PolarHBondContact O-N 3.49Å; I1119-H1225 HydrophobicContact CB-CB 4.09Å; I1119-H1225 VanDerWaalsContact CD1-C 3.48Å; I1119-H1225 HydrophobicContact CD1-CB 3.73Å; I1119-H1225 WeakPolarHBondContact CD1-O 3.38Å; I1119-H1225 HydrophobicContact CG1-CB 4.49Å; I1119-H1225 HydrophobicContact CG2-CB 4.19Å; I1119-L1226 HydrophobicContact CD1-CD2 3.91Å; I1119-L1226 HydrophobicContact CD1-CG 4.46Å; I1119-W1229 HydrophobicContact CD1-CB 3.63Å; I1119-W1229 HydrophobicContact CD1-CD2 4.32Å; I1119-W1229 HydrophobicContact CD1-CE3 4.27Å; I1119-W1229 HydrophobicContact CD1-CG 4.07Å; I1119-W1229 HydrophobicContact CG1-CE3 4.38Å; I1119-P1247 HydrophobicContact CD1-CG 4.49Å; I1119-P1247 HydrophobicContact CG1-CB 4.04Å; I1119-P1247 HydrophobicContact CG1-CG 4.25Å
1120C85.7Confident75Confident42 Ų4266 Ų6628%0.28437%0.369SS..THydrogen-bonded Turntrans-83.5-6.6-178.870.50000114.7C1117 M1122 H1222 H1225C1117-C1120 VanDerWaalsContact CB-SG 3.52Å; C1120-M1122 HydrophobicContact CB-CG 4.41Å; C1120-M1122 HydrophobicContact CB-SD 4.46Å; C1120-M1122 PolarHBondContact O-N 3.04Å; C1120-H1222 PolarHBondContact SG-CE1 2.87Å; C1120-H1222 PolarHBondContact SG-ND1 3.43Å; C1120-H1225 VanDerWaalsContact CB-CE1 3.42Å; C1120-H1225 WeakPolarHBondContact CB-CE1 3.39Å; C1120-H1225 VanDerWaalsContact SG-CE1 3.5Å
1121L85.3Confident73.9Confident104 Ų10471 Ų7155%0.54539%0.392SS..  trans58.711.5-179.9-52.5178.2000115.5R1116 C1117 I1119R1116-L1121 WeakPolarHBondContact CD-O 3.47Å; R1116-L1121 WeakPolarHBondContact CG-O 3.38Å; R1116-L1121 PolarHBondContact NH1-O 3.29Å; C1117-L1121 WeakPolarHBondContact O-CA 3.4Å; C1117-L1121 PolarHBondContact O-N 3.34Å; I1119-L1121 VanDerWaalsContact C-N 3.35Å; I1119-L1121 PolarHBondContact O-N 3.49Å
1122M81.4Confident72.3Confident56 Ų5668 Ų6828%0.27639%0.387SS..PPolyproline II helixtrans-78147.2173.6-62.7172.568.300110.9R1116 C1117 C1120 T1126R1116-M1122 CarbonylContact C-O 3.2Å; R1116-M1122 WeakPolarHBondContact CA-O 3.36Å; C1117-M1122 PolarHBondContact N-O 3.09Å; C1120-M1122 HydrophobicContact CB-CG 4.41Å; C1120-M1122 HydrophobicContact CB-SD 4.46Å; C1120-M1122 PolarHBondContact O-N 3.04Å; M1122-T1126 HydrophobicContact CE-CG2 3.22Å
1123H80.3Confident70.9Confident19 Ų1967.7 Ų67.79%0.08838%0.384CS..BIsolated β-bridgetrans-73.6151.5-179-67.2-80.9000112.3T1105 L1114 P1115 R1116 G1125 T1126T1105-H1123 HydrophobicContact CG2-CB 4.02Å; L1114-H1123 PolarHBondContact O-ND1 3.36Å; P1115-H1123 CarbonylContact O-C 3.56Å; P1115-H1123 WeakPolarHBondContact O-CA 3.39Å; R1116-H1123 WeakPolarHBondContact CG-ND1 3.38Å; R1116-H1123 PolarHBondContact NE-CE1 3.45Å; R1116-H1123 PolarHBondContact NE-NE2 2.94Å; R1116-H1123 PolarHBondContact NH2-NE2 3.23Å; H1123-G1125 PolarHBondContact O-N 3.39Å; H1123-T1126 PolarHBondContact N-OG1 3.26Å; H1123-T1126 WeakPolarHBondContact O-CB 3.44Å; H1123-T1126 PolarHBondContact O-N 2.87Å; H1123-T1126 PolarHBondContact O-OG1 3.47Å
1124L75.7Confident69.2Low30 Ų3070.2 Ų70.216%0.15740%0.398CS..THydrogen-bonded Turntrans-46.8124.6165.3177.471.3000110.3V1036 L1045 L1114 P1115 F1211V1036-L1124 HydrophobicContact CG1-CD2 3.99Å; L1045-L1124 HydrophobicContact CD1-CD2 3.77Å; L1114-L1124 HydrophobicContact CB-CB 4.15Å; P1115-L1124 PolarHBondContact O-N 2.93Å; L1124-F1211 HydrophobicContact CB-CD2 4.4Å; L1124-F1211 HydrophobicContact CB-CE2 4.43Å; L1124-F1211 HydrophobicContact CD1-CB 3.45Å; L1124-F1211 VanDerWaalsContact CD1-CB 3.45Å; L1124-F1211 HydrophobicContact CD1-CD1 3.98Å; L1124-F1211 HydrophobicContact CD1-CD2 3.87Å; L1124-F1211 HydrophobicContact CD1-CG 3.5Å; L1124-F1211 VanDerWaalsContact CD1-CG 3.5Å
1125G69.7Low67.5Low56 Ų5673.4 Ų73.458%0.57742%0.421SS*.THydrogen-bonded Turntrans96.9-0.4-177.100000115.1H1123H1123-G1125 PolarHBondContact O-N 3.39Å
1126T69.1Low65.6Low46 Ų4671.5 Ų71.528%0.28241%0.409SS..PPolyproline II helixtrans-89.1125.2173.5-34.50000109.6M1122 H1123M1122-T1126 HydrophobicContact CE-CG2 3.22Å; H1123-T1126 PolarHBondContact N-OG1 3.26Å; H1123-T1126 WeakPolarHBondContact O-CB 3.44Å; H1123-T1126 PolarHBondContact O-N 2.87Å; H1123-T1126 PolarHBondContact O-OG1 3.47Å
1127S62.4Low63.3Low105 Ų10569.1 Ų69.173%0.73441%0.406SS*.PPolyproline II helixtrans-68.9137.9176.347.90000111.4
1128I63.3Low61.1Low33 Ų3374.3 Ų74.317%0.16943%0.434CS..PPolyproline II helixtrans-74131.3173.8-51.9171.3000108.1S1130 H1222I1128-S1130 PolarHBondContact O-N 3.35Å; I1128-H1222 HydrophobicContact CD1-CB 3.78Å
1129P58.6Low58.8Low94 Ų9475.3 Ų75.361%0.6144%0.444SS*.PPolyproline II helixtrans-58.6132176.3-20.831.3000111.2N1131P1129-N1131 PolarHBondContact O-N 2.94Å
1130S54.6Low56.6Low85 Ų8576.6 Ų76.659%0.59445%0.451SS*.THydrogen-bonded Turntrans-68.516-170.743.70000116.5I1128 Y1133I1128-S1130 PolarHBondContact O-N 3.35Å; S1130-Y1133 WeakPolarHBondContact O-CD2 3.43Å
1131N46.5Very low54.5Low145 Ų14581.2 Ų81.278%0.77547%0.466SS*.THydrogen-bonded Turntrans-99.48.3-174.4-79.75.4000115.5P1129P1129-N1131 PolarHBondContact O-N 2.94Å
1132E41.2Very low52.4Low138 Ų13878.4 Ų78.465%0.64546%0.455SS*.  trans-11614.4176.9-74.6-176.3165.500114.9T1134 S1135E1132-T1134 PolarHBondContact O-N 3.24Å; E1132-T1134 VanDerWaalsContact O-N 3.09Å; E1132-S1135 PolarHBondContact O-N 3.33Å
1133Y42.5Very low50.4Low98 Ų9878.5 Ų78.538%0.38446%0.464SS..Hα-helixtrans-62.9-16.4177.4-79.5-73000114.8S1130 S1135S1130-Y1133 WeakPolarHBondContact O-CD2 3.43Å; Y1133-S1135 VanDerWaalsContact C-N 3.34Å; Y1133-S1135 PolarHBondContact O-N 3.46Å
1134T40.1Very low48.5Very low115 Ų11583 Ų8371%0.70649%0.486SS*.Hα-helixtrans-71.9-22.9-176.28.40000114.1E1132 N1138E1132-T1134 PolarHBondContact O-N 3.24Å; E1132-T1134 VanDerWaalsContact O-N 3.09Å; T1134-N1138 PolarHBondContact O-ND2 2.93Å
1135S41.7Very low46.8Very low83 Ų8384.7 Ų84.758%0.5850%0.5SS*.Hα-helixtrans-84.4-44.1177.7-157.50000111.9E1132 Y1133 N1137 N1138 A1139E1132-S1135 PolarHBondContact O-N 3.33Å; Y1133-S1135 VanDerWaalsContact C-N 3.34Å; Y1133-S1135 PolarHBondContact O-N 3.46Å; S1135-N1137 PolarHBondContact O-N 3.26Å; S1135-N1138 PolarHBondContact O-N 3.35Å; S1135-A1139 PolarHBondContact O-N 3.48Å
1136V38.6Very low45.3Very low30 Ų3088.8 Ų88.818%0.18251%0.506CS..Hα-helixtrans-68-37.7-172.9-1750000112.7N1138 A1139 I1140V1136-N1138 VanDerWaalsContact C-N 3.26Å; V1136-N1138 PolarHBondContact O-N 3.47Å; V1136-A1139 PolarHBondContact O-N 3.43Å; V1136-I1140 HydrophobicContact CG1-CD1 3.88Å; V1136-I1140 HydrophobicContact CG1-CG1 4.33Å; V1136-I1140 WeakPolarHBondContact O-CG1 3.5Å; V1136-I1140 PolarHBondContact O-N 3.35Å
1137N35.6Very low43.6Very low90 Ų9094.1 Ų94.148%0.48153%0.525SS..Hα-helixtrans-67.7-26.1177.3-83.6-23.4000113.1S1135 K1141S1135-N1137 PolarHBondContact O-N 3.26Å; N1137-K1141 WeakPolarHBondContact O-CB 3.32Å; N1137-K1141 VanDerWaalsContact O-CG 3.27Å; N1137-K1141 WeakPolarHBondContact O-CG 3.47Å; N1137-K1141 PolarHBondContact O-N 3.37Å; N1137-K1141 VanDerWaalsContact O-N 3.14Å
1138N38.6Very low42.4Very low109 Ų10996.4 Ų96.458%0.58352%0.524SS*.Hα-helixtrans-77.9-35.9175-71.3-20.2000111.1T1134 S1135 V1136 K1141 S1142T1134-N1138 PolarHBondContact O-ND2 2.93Å; S1135-N1138 PolarHBondContact O-N 3.35Å; V1136-N1138 VanDerWaalsContact C-N 3.26Å; V1136-N1138 PolarHBondContact O-N 3.47Å; N1138-K1141 PolarHBondContact O-N 3.35Å; N1138-S1142 PolarHBondContact O-N 2.88Å; N1138-S1142 PolarHBondContact O-OG 2.94Å
1139A38.2Very low41.1Very low44 Ų44103.3 Ų103.336%0.36456%0.556SS.*Hα-helixtrans-67.4-39.1172.700000112.7S1135 V1136 K1141 S1142 A1143S1135-A1139 PolarHBondContact O-N 3.48Å; V1136-A1139 PolarHBondContact O-N 3.43Å; A1139-K1141 VanDerWaalsContact C-N 3.34Å; A1139-S1142 WeakPolarHBondContact CA-OG 3.22Å; A1139-S1142 PolarHBondContact O-N 2.86Å; A1139-S1142 PolarHBondContact O-OG 3.33Å; A1139-A1143 WeakPolarHBondContact O-CB 3.42Å; A1139-A1143 PolarHBondContact O-N 2.81Å
1140I40.1Very low40Very low87 Ų87104.6 Ų104.645%0.44656%0.562SS.*Hα-helixtrans-66.1-39.4174.6-66.8169.5000110.5V1136 A1143 E1144V1136-I1140 HydrophobicContact CG1-CD1 3.88Å; V1136-I1140 HydrophobicContact CG1-CG1 4.33Å; V1136-I1140 WeakPolarHBondContact O-CG1 3.5Å; V1136-I1140 PolarHBondContact O-N 3.35Å; I1140-A1143 PolarHBondContact O-N 3.35Å; I1140-E1144 WeakPolarHBondContact O-CB 3.11Å; I1140-E1144 PolarHBondContact O-N 3Å
1141K40.2Very low38.9Very low138 Ų138103.6 Ų103.660%0.656%0.559SS**Hα-helixtrans-70.2-35.1176.2-77.4178.8179.5-179.30113.2N1137 N1138 A1139 S1145N1137-K1141 WeakPolarHBondContact O-CB 3.32Å; N1137-K1141 VanDerWaalsContact O-CG 3.27Å; N1137-K1141 WeakPolarHBondContact O-CG 3.47Å; N1137-K1141 PolarHBondContact O-N 3.37Å; N1137-K1141 VanDerWaalsContact O-N 3.14Å; N1138-K1141 PolarHBondContact O-N 3.35Å; A1139-K1141 VanDerWaalsContact C-N 3.34Å; K1141-S1145 WeakPolarHBondContact O-CB 3.39Å; K1141-S1145 PolarHBondContact O-N 3.5Å
1142S41Very low38Very low46 Ų46105 Ų10532%0.32257%0.566SS.*Hα-helixtrans-67.8-43.1174.566.30000110.4N1138 A1139 S1145 M1146N1138-S1142 PolarHBondContact O-N 2.88Å; N1138-S1142 PolarHBondContact O-OG 2.94Å; A1139-S1142 WeakPolarHBondContact CA-OG 3.22Å; A1139-S1142 PolarHBondContact O-N 2.86Å; A1139-S1142 PolarHBondContact O-OG 3.33Å; S1142-S1145 PolarHBondContact O-N 3.06Å; S1142-S1145 PolarHBondContact O-OG 3.49Å; S1142-S1145 VanDerWaalsContact O-OG 3.06Å; S1142-M1146 PolarHBondContact O-N 3.47Å
1143A41.2Very low37.5Very low57 Ų57103 Ų10347%0.47157%0.567SS.*Hα-helixtrans-60.5-44.2173.200000112.2A1139 I1140 M1146 F1147A1139-A1143 WeakPolarHBondContact O-CB 3.42Å; A1139-A1143 PolarHBondContact O-N 2.81Å; I1140-A1143 PolarHBondContact O-N 3.35Å; A1143-M1146 PolarHBondContact O-N 3.47Å; A1143-F1147 WeakPolarHBondContact O-CB 3.46Å; A1143-F1147 PolarHBondContact O-N 2.65Å
1144E38.7Very low36.9Very low115 Ų115103.8 Ų103.854%0.53759%0.587SS.*Hα-helixtrans-64.1-39.4174.9-89.3-173.9143.600112.8I1140 F1147 Q1148I1140-E1144 WeakPolarHBondContact O-CB 3.11Å; I1140-E1144 PolarHBondContact O-N 3Å; E1144-F1147 PolarHBondContact O-N 3.12Å; E1144-Q1148 WeakPolarHBondContact O-CG 3.48Å; E1144-Q1148 PolarHBondContact O-N 3.37Å
1145S40.4Very low36.4Very low65 Ų65104.7 Ų104.746%0.45559%0.592SS.*Hα-helixtrans-69.8-35.7178.384.30000112.6K1141 S1142 F1147 Q1148 Q1149K1141-S1145 WeakPolarHBondContact O-CB 3.39Å; K1141-S1145 PolarHBondContact O-N 3.5Å; S1142-S1145 PolarHBondContact O-N 3.06Å; S1142-S1145 PolarHBondContact O-OG 3.49Å; S1142-S1145 VanDerWaalsContact O-OG 3.06Å; S1145-F1147 VanDerWaalsContact C-N 3.34Å; S1145-Q1148 PolarHBondContact O-N 2.92Å; S1145-Q1149 PolarHBondContact O-N 3.33Å
1146M38.5Very low36.1Very low142 Ų142104 Ų10470%0.760%0.598SS**Hα-helixtrans-68.6-36.6173.4-77.2-173.273.200111.1S1142 A1143 T1150S1142-M1146 PolarHBondContact O-N 3.47Å; A1143-M1146 PolarHBondContact O-N 3.47Å; M1146-T1150 PolarHBondContact O-OG1 3.43Å; M1146-T1150 VanDerWaalsContact O-OG1 3.05Å
1147F33.2Very low36Very low158 Ų158110.8 Ų110.869%0.69363%0.625SS**Hα-helixtrans-69.1-34.5177.2-150.1-92.4000112.5A1143 E1144 S1145A1143-F1147 WeakPolarHBondContact O-CB 3.46Å; A1143-F1147 PolarHBondContact O-N 2.65Å; E1144-F1147 PolarHBondContact O-N 3.12Å; S1145-F1147 VanDerWaalsContact C-N 3.34Å
1148Q36.6Very low35.8Very low152 Ų152113.8 Ų113.871%0.7164%0.64SS**Hα-helixtrans-73.9-27.5178.9-78.2177.4-1.200113.9E1144 S1145E1144-Q1148 WeakPolarHBondContact O-CG 3.48Å; E1144-Q1148 PolarHBondContact O-N 3.37Å; S1145-Q1148 PolarHBondContact O-N 2.92Å
1149Q37.3Very low35.9Very low179 Ų179111.7 Ų111.784%0.83663%0.634SS**Hα-helixtrans-83.6-16.6-177.5-85.3-174.8-2.700115.1S1145S1145-Q1149 PolarHBondContact O-N 3.33Å
1150T36Very low36Very low120 Ų120114.2 Ų114.274%0.73664%0.64SS**Hα-helixtrans-117.4-3-171.343.10000116.2M1146M1146-T1150 PolarHBondContact O-OG1 3.43Å; M1146-T1150 VanDerWaalsContact O-OG1 3.05Å
1151A29.9Very low35.7Very low65 Ų65115 Ų11554%0.53765%0.646SS.*  trans-107.926.7-171.700000116.4S1153A1151-S1153 VanDerWaalsContact C-N 3.3Å; A1151-S1153 PolarHBondContact O-N 3.33Å
1152L28.6Very low35.5Very low175 Ų175115 Ų11592%0.91665%0.646SS**  trans-89.356.5166.8-81160.5000111.5
1153S29.7Very low35.1Very low94 Ų94118.3 Ų118.366%0.65766%0.658SS**SBendtrans-162.8106.7151.647.70000112A1151A1151-S1153 VanDerWaalsContact C-N 3.3Å; A1151-S1153 PolarHBondContact O-N 3.33Å
1154S30Very low34.8Very low116 Ų116120.3 Ų120.381%0.81166%0.66SS**SBendtrans50.471.2151.859.40000119.3
1155T30.5Very low34.6Very low134 Ų134118.4 Ų118.482%0.82266%0.664SS**  trans-149.246.5148.6410000111K1157T1155-K1157 PolarHBondContact O-N 3.13Å; T1155-K1157 VanDerWaalsContact O-N 3.15Å
1156G35.8Very low34Very low67 Ų67121.4 Ų121.469%0.69167%0.673SS**THydrogen-bonded Turntrans-84.938.5-169.200000117.6
1157K36.7Very low33.4Very low173 Ų173121.7 Ų121.775%0.75267%0.672SS**THydrogen-bonded Turntrans-135-11.6178.4-119.5-179-178.8-175.20118.8T1155T1155-K1157 PolarHBondContact O-N 3.13Å; T1155-K1157 VanDerWaalsContact O-N 3.15Å
1158L31.2Very low33Very low154 Ų154121.1 Ų121.181%0.80668%0.675SS**SBendtrans-98.4-27.5-179.9-82.1156.9000114F1162L1158-F1162 WeakPolarHBondContact O-CB 3.47Å; L1158-F1162 PolarHBondContact O-N 2.94Å
1159S40Very low32.5Very low65 Ų65120.2 Ų120.246%0.45568%0.675SS.*Hα-helixtrans-77.4-32.6-17662.30000113.8M1163S1159-M1163 PolarHBondContact O-N 3.26Å
1160I39.5Very low31.9Very low96 Ų96117.7 Ų117.749%0.49267%0.672SS.*Hα-helixtrans-74.2-41-179.8-72.4166.6000110.8F1162 M1163 N1164I1160-F1162 VanDerWaalsContact C-N 3.32Å; I1160-F1162 PolarHBondContact O-N 3.44Å; I1160-M1163 PolarHBondContact O-N 3.01Å; I1160-N1164 VanDerWaalsContact CG2-ND2 3.33Å; I1160-N1164 WeakPolarHBondContact CG2-ND2 3.46Å; I1160-N1164 VanDerWaalsContact O-CB 3.24Å; I1160-N1164 WeakPolarHBondContact O-CB 3.5Å; I1160-N1164 PolarHBondContact O-N 3.49Å; I1160-N1164 PolarHBondContact O-ND2 3.24Å
1161D34.5Very low31.3Very low104 Ų104117.2 Ų117.256%0.55667%0.669SS**Hα-helixtrans-67.8-35.1177.8-70.4-16.6000111.5A1165D1161-A1165 WeakPolarHBondContact O-CB 3.47Å; D1161-A1165 PolarHBondContact O-N 3.43Å
1162F36Very low31Very low138 Ų138119.2 Ų119.261%0.60568%0.679SS**Hα-helixtrans-69-41175.1-169.9-101.9000112.7L1158 I1160 A1165 M1166L1158-F1162 WeakPolarHBondContact O-CB 3.47Å; L1158-F1162 PolarHBondContact O-N 2.94Å; I1160-F1162 VanDerWaalsContact C-N 3.32Å; I1160-F1162 PolarHBondContact O-N 3.44Å; F1162-A1165 PolarHBondContact O-N 3.1Å; F1162-M1166 HydrophobicContact CE1-CE 3.79Å; F1162-M1166 HydrophobicContact CZ-CE 3.69Å; F1162-M1166 PolarHBondContact O-N 2.98Å
1163M32.2Very low30.8Very low116 Ų116116.1 Ų116.157%0.57167%0.672SS**Hα-helixtrans-70.6-36.1174.6-81-167.6-86.700112.7S1159 I1160 A1165 M1166 Q1167S1159-M1163 PolarHBondContact O-N 3.26Å; I1160-M1163 PolarHBondContact O-N 3.01Å; M1163-A1165 VanDerWaalsContact C-N 3.32Å; M1163-A1165 PolarHBondContact O-N 3.48Å; M1163-M1166 PolarHBondContact O-N 2.95Å; M1163-Q1167 PolarHBondContact O-N 2.88Å; M1163-Q1167 VanDerWaalsContact O-N 3.08Å
1164N34.7Very low30.6Very low99 Ų99117.5 Ų117.553%0.52968%0.682SS.*Hα-helixtrans-67.6-32.8175.1-73.2-19.9000112I1160 M1166I1160-N1164 VanDerWaalsContact CG2-ND2 3.33Å; I1160-N1164 WeakPolarHBondContact CG2-ND2 3.46Å; I1160-N1164 VanDerWaalsContact O-CB 3.24Å; I1160-N1164 WeakPolarHBondContact O-CB 3.5Å; I1160-N1164 PolarHBondContact O-N 3.49Å; I1160-N1164 PolarHBondContact O-ND2 3.24Å; N1164-M1166 VanDerWaalsContact C-N 3.29Å; N1164-M1166 PolarHBondContact O-N 3.46Å
1165A35Very low30.5Very low75 Ų75119 Ų11962%0.6268%0.679SS**Hα-helixtrans-68.6-26.4175.300000113.2D1161 F1162 M1163D1161-A1165 WeakPolarHBondContact O-CB 3.47Å; D1161-A1165 PolarHBondContact O-N 3.43Å; F1162-A1165 PolarHBondContact O-N 3.1Å; M1163-A1165 VanDerWaalsContact C-N 3.32Å; M1163-A1165 PolarHBondContact O-N 3.48Å
1166M27.7Very low30.5Very low128 Ų128118.4 Ų118.463%0.63168%0.678SS**Hα-helixtrans-93.7-21.3178.3-82.6-138.9-13700114.8F1162 M1163 N1164 I1168F1162-M1166 HydrophobicContact CE1-CE 3.79Å; F1162-M1166 HydrophobicContact CZ-CE 3.69Å; F1162-M1166 PolarHBondContact O-N 2.98Å; M1163-M1166 PolarHBondContact O-N 2.95Å; N1164-M1166 VanDerWaalsContact C-N 3.29Å; N1164-M1166 PolarHBondContact O-N 3.46Å; M1166-I1168 PolarHBondContact O-N 2.88Å
1167Q25.4Very low30Very low148 Ų148123.3 Ų123.369%0.69269%0.687SS**  trans-78.575.2171.1-74.9-170.5-2.500110.4M1163 N1169M1163-Q1167 PolarHBondContact O-N 2.88Å; M1163-Q1167 VanDerWaalsContact O-N 3.08Å; Q1167-N1169 PolarHBondContact O-N 2.67Å
1168I26.3Very low29.3Very low145 Ų145119.6 Ų119.674%0.74468%0.683SS**  trans-68.575.7163.5-55175000107.3M1166 T1170M1166-I1168 PolarHBondContact O-N 2.88Å; I1168-T1170 HydrophobicContact CG2-CG2 4.33Å; I1168-T1170 PolarHBondContact O-N 3.16Å
1169N25.4Very low29Very low134 Ų134120.4 Ų120.472%0.71768%0.682SS**  trans-77.8110159.1-122.6-7.1000105.9Q1167 T1171Q1167-N1169 PolarHBondContact O-N 2.67Å; N1169-T1171 PolarHBondContact O-N 3Å
1170T24.8Very low28.3Very low126 Ų126124 Ų12477%0.77370%0.696SS**  trans-67.677175.347.80000110.1I1168I1168-T1170 HydrophobicContact CG2-CG2 4.33Å; I1168-T1170 PolarHBondContact O-N 3.16Å
1171T24.2Very low27.6Very low109 Ų109127.4 Ų127.467%0.66972%0.716SS**  trans-145.495.6166.147.10000109.2N1169N1169-T1171 PolarHBondContact O-N 3Å
1172S23.9Very low27.1Very low108 Ų108126.5 Ų126.576%0.75572%0.723SS**  trans18.4110.2143.551.80000118.5
1173S23.8Very low26.5Very low110 Ų110127.3 Ų127.377%0.76973%0.732SS**  trans53.7112134.761.70000119.8
1174S25.9Very low26.2Very low122 Ų122129.1 Ų129.185%0.85374%0.744SS**  trans-129.9115.4138.150.40000109.5
1175I26.5Very low25.6Very low148 Ų148133.2 Ų133.276%0.75976%0.757SS**PPolyproline II helixtrans-78.9140.4173.7-67.4168.3000107.5
1176P30.7Very low25.1Very low122 Ų122136.6 Ų136.679%0.79277%0.765SS**PPolyproline II helixtrans-76.5127.2-17730.3-32.1000110.7
1177L25.1Very low25.1Very low170 Ų170138.5 Ų138.589%0.8978%0.778SS**PPolyproline II helixtrans-90.8133.3168.5-77.9169.2000110.1
1178S23.5Very low24.9Very low95 Ų95141 Ų14166%0.66479%0.789SS**PPolyproline II helixtrans-61.6152.9-179.942.30000115.7
1179E23.7Very low24.9Very low170 Ų170143.4 Ų143.479%0.79479%0.794SS**  trans66119.7143.6-72.6175.4171.900120.4
1180D25.2Very low24.7Very low140 Ų140143.3 Ų143.375%0.74979%0.793SS**  trans43.5107.7137.1-65.9-16.6000117.8
1181N25.3Very low24.7Very low169 Ų169145.5 Ų145.590%0.90480%0.8SS**  -164.4122.7120.8-92-48.1000110.7
1182A23.8Very low24.6Very low85 Ų85150.5 Ų150.570%0.70281%0.808SS**  trans-71160.9168.900000111.2
1183I24.1Very low24.7Very low154 Ų154150.9 Ų150.979%0.7981%0.81SS**  trans84.598.6166.2-46.6161.7000114.1
1184N26.2Very low24.7Very low155 Ų155150.9 Ų150.983%0.82981%0.811SS**  -179.4135.481.8-132.9-19.7000110.8
1185K22.5Very low25Very low185 Ų185151.1 Ų151.180%0.80481%0.809SS**  trans-75.5157.5172.5-76175.8174.2175.20110.3
1186N23.5Very low25Very low146 Ų146153 Ų15378%0.78181%0.814SS**  trans95.792.7166-54.8-18.1000115.9
1187N27.3Very low24.8Very low168 Ų168157.2 Ų157.290%0.89882%0.821SS**  174.879.5120.1-85.6-24000110
1188Q21.9Very low24.9Very low199 Ų199154.5 Ų154.593%0.9382%0.816SS**  trans-97.2106.2162.9-81.6-178.8-11.800108.6
1189K25.9Very low25.1Very low197 Ų197154.9 Ų154.986%0.85782%0.818SS**  trans-131.4101.5159.6-85.8-172.3177.9178.70109
1190N22.3Very low25.5Very low131 Ų131152.5 Ų152.570%0.70182%0.818SS**  trans33.1107136.2-63.8-21.2000118.1
1191L23.9Very low25.8Very low173 Ų173151.6 Ų151.691%0.90682%0.817SS**  trans-132.989145.4-99.8135.9000108.1
1192Y21.4Very low26.3Very low214 Ų214149.4 Ų149.484%0.83981%0.812SS**  trans-69.1125.3162.9-85.7-96.5000108.3
1193S26Very low26.8Very low115 Ų115152.4 Ų152.480%0.80482%0.816SS**  trans-133130.4157.352.20000108.7
1194S25Very low27.4Very low111 Ų111149 Ų14978%0.77681%0.806SS**PPolyproline II helixtrans-70.6148.4-162.6-44.50000112.7E1196S1194-E1196 PolarHBondContact O-N 3.28Å
1195P31.6Very low28.4Very low127 Ų127147.7 Ų147.783%0.82580%0.798SS**PPolyproline II helixtrans-80.9121.2-171.630.9-31.7000111.6
1196E26.6Very low30.2Very low186 Ų186145.7 Ų145.787%0.86979%0.786SS**PPolyproline II helixtrans-68128.2168.7-70.5-175.315800110.3S1194 S1198S1194-E1196 PolarHBondContact O-N 3.28Å; E1196-S1198 PolarHBondContact O-N 3.42Å
1197K27.3Very low32Very low212 Ų212145.7 Ų145.792%0.92278%0.783SS**  trans-59.397.5177.9-75.7171.3172.8174.50110.6
1198S26.8Very low33.7Very low112 Ų112138.9 Ų138.978%0.78375%0.75SS**PPolyproline II helixtrans-79.1127.5161.545.70000109.2E1196E1196-S1198 PolarHBondContact O-N 3.42Å
1199S27.4Very low35.8Very low103 Ų103132.1 Ų132.172%0.7272%0.72SS**PPolyproline II helixtrans-59.4135.6177.9480000111.4V1201S1199-V1201 PolarHBondContact O-N 3.38Å
1200P31.9Very low38.2Very low121 Ų121129.1 Ų129.179%0.78670%0.704SS**PPolyproline II helixtrans-68.9131.5-173.628-32.4000111.2
1201V31.3Very low41Very low121 Ų121124.6 Ų124.673%0.73368%0.678SS**PPolyproline II helixtrans-63.8123.5177-178.20000109S1199 N1203S1199-V1201 PolarHBondContact O-N 3.38Å; V1201-N1203 PolarHBondContact O-N 2.85Å
1202P36.1Very low43.7Very low123 Ų123118.9 Ų118.980%0.79965%0.65SS**THydrogen-bonded Turntrans-74.615.3-165.3-16.730.8000117.5
1203N34.2Very low46.7Very low148 Ų148115.3 Ų115.379%0.79164%0.635SS**THydrogen-bonded Turntrans-121.614.6-165.5-79.6-5.3000116V1201 I1205V1201-N1203 PolarHBondContact O-N 2.85Å; N1203-I1205 PolarHBondContact O-N 2.96Å
1204S36.7Very low49.3Very low81 Ų81110.9 Ų110.957%0.56660%0.604SS**  trans-84.5110.6169.469.70000110.2Y1206S1204-Y1206 PolarHBondContact O-N 3.03Å
1205I47Very low51.6Low129 Ų129113.9 Ų113.966%0.66261%0.606SS**  trans-63.4119167.4-59.6170.3000107.1N1203 D1209N1203-I1205 PolarHBondContact O-N 2.96Å; I1205-D1209 HydrophobicContact CG2-CB 4.02Å
1206Y60.6Low53.6Low142 Ų142111.1 Ų111.156%0.55759%0.593SS**  trans-66.3142.1177.3-68.6-79.1000109.5S1204 A1208 D1209S1204-Y1206 PolarHBondContact O-N 3.03Å; Y1206-A1208 PolarHBondContact O-N 3.41Å; Y1206-D1209 PolarHBondContact O-N 3.22Å
1207M60.3Low56.2Low146 Ų146103.4 Ų103.472%0.71956%0.56SS**G310 helixtrans-55.3-27.7179-170.9172.1170.500112.4D1209 W1210 A1223M1207-D1209 PolarHBondContact O-N 3.33Å; M1207-W1210 WeakPolarHBondContact O-CB 3.39Å; M1207-W1210 PolarHBondContact O-N 3.4Å; M1207-W1210 VanDerWaalsContact O-N 3.15Å; M1207-A1223 WeakPolarHBondContact O-CB 3.35Å
1208A64.3Low58.6Low26 Ų26103.4 Ų103.422%0.21555%0.554CS.*G310 helixtrans-53.2-31.9172.300000114Y1206 W1210 S1224Y1206-A1208 PolarHBondContact O-N 3.41Å; A1208-W1210 VanDerWaalsContact C-N 3.34Å; A1208-S1224 WeakPolarHBondContact O-CB 3.49Å; A1208-S1224 PolarHBondContact O-N 3.31Å; A1208-S1224 VanDerWaalsContact O-N 3.1Å; A1208-S1224 PolarHBondContact O-OG 3.29Å
1209D65.3Low61.3Low56 Ų56101.3 Ų101.330%0.29953%0.532SS..G310 helixtrans-87.3-1.8-176.4-60.7-39000113.5I1205 Y1206 M1207I1205-D1209 HydrophobicContact CG2-CB 4.02Å; Y1206-D1209 PolarHBondContact O-N 3.22Å; M1207-D1209 PolarHBondContact O-N 3.33Å
1210W76.8Confident64Low134 Ų13496.8 Ų96.851%0.50850%0.501SS..  trans-70.7150.3-176.6-74.430.6000111.3M1207 A1208 V1212 H1222 A1223M1207-W1210 WeakPolarHBondContact O-CB 3.39Å; M1207-W1210 PolarHBondContact O-N 3.4Å; M1207-W1210 VanDerWaalsContact O-N 3.15Å; A1208-W1210 VanDerWaalsContact C-N 3.34Å; W1210-V1212 HydrophobicContact CB-CG1 4.42Å; W1210-H1222 CarbonylContact O-C 3.4Å; W1210-H1222 VanDerWaalsContact O-CA 3.26Å; W1210-H1222 WeakPolarHBondContact O-CA 3.37Å; W1210-A1223 HydrophobicContact CB-CB 4.09Å; W1210-A1223 WeakPolarHBondContact O-CB 3.17Å; W1210-A1223 PolarHBondContact O-N 3.45Å
1211F80.8Confident66.7Low36 Ų3691 Ų9116%0.15846%0.464CS..EExtended strand (participates in β ladder)trans-99.2116.9170.3-159.7-78.7000109.2P1115 C1117 L1124 W1213 G1221 H1222P1115-F1211 HydrophobicContact CB-CZ 4.46Å; C1117-F1211 HydrophobicContact CB-CE2 3.96Å; L1124-F1211 HydrophobicContact CB-CD2 4.4Å; L1124-F1211 HydrophobicContact CB-CE2 4.43Å; L1124-F1211 HydrophobicContact CD1-CB 3.45Å; L1124-F1211 VanDerWaalsContact CD1-CB 3.45Å; L1124-F1211 HydrophobicContact CD1-CD1 3.98Å; L1124-F1211 HydrophobicContact CD1-CD2 3.87Å; L1124-F1211 HydrophobicContact CD1-CG 3.5Å; L1124-F1211 VanDerWaalsContact CD1-CG 3.5Å; F1211-W1213 HydrophobicContact CD1-CE3 4.47Å; F1211-G1221 CarbonylContact C-O 3.52Å; F1211-G1221 WeakPolarHBondContact CA-O 3.24Å; F1211-H1222 AromaticContact CD2-CD2 3.85Å
1212V81Confident69.3Low53 Ų5385.5 Ų85.532%0.32143%0.43SS..EExtended strand (participates in β ladder)trans-118.2154.1-176.1-59.50000110.9W1210 G1220 G1221 A1223 L1226W1210-V1212 HydrophobicContact CB-CG1 4.42Å; V1212-G1220 CarbonylContact O-C 3.59Å; V1212-G1220 WeakPolarHBondContact O-CA 3.46Å; V1212-G1221 PolarHBondContact N-O 3.32Å; V1212-G1221 PolarHBondContact O-N 3.14Å; V1212-A1223 HydrophobicContact CG1-CB 4.09Å; V1212-A1223 HydrophobicContact CG2-CB 4.28Å; V1212-L1226 HydrophobicContact CG2-CB 4.44Å; V1212-L1226 HydrophobicContact CG2-CD1 3.49Å; V1212-L1226 VanDerWaalsContact CG2-CD1 3.49Å
1213W84.8Confident71.4Confident140 Ų14080.2 Ų80.253%0.5340%0.397SS..EExtended strand (participates in β ladder)trans-146.5153.8-179.46388.5000112.3V1036 F1211 H1219V1036-W1213 HydrophobicContact CG2-CH2 4.33Å; F1211-W1213 HydrophobicContact CD1-CE3 4.47Å; W1213-H1219 CarbonylContact C-O 3.1Å; W1213-H1219 VanDerWaalsContact CA-O 3.26Å; W1213-H1219 WeakPolarHBondContact CA-O 3.47Å; W1213-H1219 WeakPolarHBondContact CB-O 3.21Å
1214C79.3Confident73.7Confident21 Ų2173.9 Ų73.914%0.14236%0.364CS..  trans-81.7131174.3178.60000110.3A1216 C1217 R1218 H1219 C1255C1214-A1216 VanDerWaalsContact C-N 3.28Å; C1214-A1216 PolarHBondContact O-N 2.78Å; C1214-A1216 PolarHBondContact SG-N 3.46Å; C1214-A1216 VanDerWaalsContact SG-N 3.44Å; C1214-C1217 VanDerWaalsContact CB-SG 3.56Å; C1214-R1218 WeakPolarHBondContact O-CA 3.2Å; C1214-R1218 PolarHBondContact O-N 2.79Å; C1214-H1219 PolarHBondContact N-O 3.34Å; C1214-C1255 HydrophobicContact CB-CB 4.35Å
1215Q73.4Confident76.1Confident175 Ų17571.3 Ų71.382%0.81834%0.343SS*.THydrogen-bonded Turntrans-69.2-25.5177.9-67.1-175.7-11.800113.2
1216A74.5Confident77.9Confident68 Ų6866 Ų6656%0.56232%0.316SS*.THydrogen-bonded Turntrans-77-54.3-179.900000112.4C1214 L1258C1214-A1216 VanDerWaalsContact C-N 3.28Å; C1214-A1216 PolarHBondContact O-N 2.78Å; C1214-A1216 PolarHBondContact SG-N 3.46Å; C1214-A1216 VanDerWaalsContact SG-N 3.44Å; A1216-L1258 HydrophobicContact CB-CD1 3.47Å; A1216-L1258 VanDerWaalsContact CB-CD1 3.47Å
1217C79.8Confident78.8Confident24 Ų2462.7 Ų62.716%0.16231%0.31CS..THydrogen-bonded Turntrans-94.2-10.8-178.870.10000114.5C1214 H1219 C1253C1214-C1217 VanDerWaalsContact CB-SG 3.56Å; C1217-H1219 PolarHBondContact O-N 2.87Å; C1217-C1253 HydrophobicContact CB-CB 3.61Å
1218R78.6Confident79.7Confident212 Ų21258.9 Ų58.980%0.829%0.293SS*.  trans60.38.9-176.8-54-173.7177.7-158.9-0.4115.3C1214C1214-R1218 WeakPolarHBondContact O-CA 3.2Å; C1214-R1218 PolarHBondContact O-N 2.79Å
1219H83Confident80.7Confident69 Ų6962.9 Ų62.932%0.31930%0.303SS..  trans-78.8147.9169-59137.2000110.4W1213 C1214 C1217 V1248 C1251W1213-H1219 CarbonylContact C-O 3.1Å; W1213-H1219 VanDerWaalsContact CA-O 3.26Å; W1213-H1219 WeakPolarHBondContact CA-O 3.47Å; W1213-H1219 WeakPolarHBondContact CB-O 3.21Å; C1214-H1219 PolarHBondContact N-O 3.34Å; C1217-H1219 PolarHBondContact O-N 2.87Å; H1219-V1248 HydrophobicContact CB-CG2 3.77Å; H1219-V1248 VanDerWaalsContact CG-CG2 3.5Å; H1219-C1251 PolarHBondContact ND1-SG 3.29Å
1220G85.3Confident81.5Confident8 Ų861.2 Ų61.28%0.08229%0.293CS..EExtended strand (participates in β ladder)trans-155.7177.2-177.300000113.4C1117 S1118 V1212C1117-G1220 WeakPolarHBondContact CA-O 3.32Å; S1118-G1220 PolarHBondContact N-O 3.15Å; S1118-G1220 PolarHBondContact OG-O 3.01Å; V1212-G1220 CarbonylContact O-C 3.59Å; V1212-G1220 WeakPolarHBondContact O-CA 3.46Å
1221G87.1Confident81.6Confident0 Ų058.9 Ų58.90%029%0.285CS..EExtended strand (participates in β ladder)trans-177.3-177.7-176.700000113C1117 F1211 V1212C1117-G1221 WeakPolarHBondContact SG-CA 2.99Å; F1211-G1221 CarbonylContact C-O 3.52Å; F1211-G1221 WeakPolarHBondContact CA-O 3.24Å; V1212-G1221 PolarHBondContact N-O 3.32Å; V1212-G1221 PolarHBondContact O-N 3.14Å
1222H85.8Confident80.9Confident5 Ų558.4 Ų58.42%0.02329%0.289CS..EExtended strand (participates in β ladder)trans-62.9139.7174.5-54.9127.2000110.1C1117 C1120 I1128 W1210 F1211 S1224 H1225 L1226C1117-H1222 PolarHBondContact SG-N 3.29Å; C1117-H1222 VanDerWaalsContact SG-N 3.42Å; C1120-H1222 PolarHBondContact SG-CE1 2.87Å; C1120-H1222 PolarHBondContact SG-ND1 3.43Å; I1128-H1222 HydrophobicContact CD1-CB 3.78Å; W1210-H1222 CarbonylContact O-C 3.4Å; W1210-H1222 VanDerWaalsContact O-CA 3.26Å; W1210-H1222 WeakPolarHBondContact O-CA 3.37Å; F1211-H1222 AromaticContact CD2-CD2 3.85Å; H1222-S1224 VanDerWaalsContact C-N 3.34Å; H1222-S1224 PolarHBondContact O-N 3.33Å; H1222-H1225 HydrophobicContact CB-CB 4.44Å; H1222-H1225 AromaticContact CG-ND1 3.98Å; H1222-H1225 AromaticContact ND1-CE1 3.57Å; H1222-H1225 AromaticContact ND1-ND1 3.39Å; H1222-H1225 PolarHBondContact ND1-ND1 2.98Å; H1222-H1225 PolarHBondContact O-N 2.85Å; H1222-L1226 PolarHBondContact O-N 3.05Å
1223A81.6Confident79.7Confident11 Ų1161.6 Ų61.69%0.09131%0.305CS..Hα-helixtrans-58.8-46.7-175.900000110.5M1207 W1210 V1212 H1225 L1226 T1227M1207-A1223 WeakPolarHBondContact O-CB 3.35Å; W1210-A1223 HydrophobicContact CB-CB 4.09Å; W1210-A1223 WeakPolarHBondContact O-CB 3.17Å; W1210-A1223 PolarHBondContact O-N 3.45Å; V1212-A1223 HydrophobicContact CG1-CB 4.09Å; V1212-A1223 HydrophobicContact CG2-CB 4.28Å; A1223-H1225 PolarHBondContact O-N 2.97Å; A1223-L1226 PolarHBondContact O-N 3.12Å; A1223-T1227 VanDerWaalsContact O-CB 3.28Å; A1223-T1227 WeakPolarHBondContact O-CB 3.07Å; A1223-T1227 PolarHBondContact O-N 3.4Å; A1223-T1227 PolarHBondContact O-OG1 3.05Å
1224S81.9Confident77.8Confident16 Ų1658.1 Ų58.111%0.11230%0.302CS..Hα-helixtrans-53.5-52.4174.2540000112.6A1208 H1222 L1226 T1227 D1228A1208-S1224 WeakPolarHBondContact O-CB 3.49Å; A1208-S1224 PolarHBondContact O-N 3.31Å; A1208-S1224 VanDerWaalsContact O-N 3.1Å; A1208-S1224 PolarHBondContact O-OG 3.29Å; H1222-S1224 VanDerWaalsContact C-N 3.34Å; H1222-S1224 PolarHBondContact O-N 3.33Å; S1224-L1226 PolarHBondContact O-N 3.3Å; S1224-T1227 PolarHBondContact O-N 3.1Å; S1224-D1228 WeakPolarHBondContact O-CB 3.37Å; S1224-D1228 VanDerWaalsContact O-CG 3.26Å; S1224-D1228 PolarHBondContact O-N 3.3Å
1225H87.6Confident76.3Confident27 Ų2766.6 Ų66.613%0.12534%0.337CS..Hα-helixtrans-61.6-42.6-179.9-64.6156.7000112.7I1119 C1120 H1222 A1223 W1229I1119-H1225 HydrophobicContact CB-CB 4.09Å; I1119-H1225 VanDerWaalsContact CD1-C 3.48Å; I1119-H1225 HydrophobicContact CD1-CB 3.73Å; I1119-H1225 WeakPolarHBondContact CD1-O 3.38Å; I1119-H1225 HydrophobicContact CG1-CB 4.49Å; I1119-H1225 HydrophobicContact CG2-CB 4.19Å; C1120-H1225 VanDerWaalsContact CB-CE1 3.42Å; C1120-H1225 WeakPolarHBondContact CB-CE1 3.39Å; C1120-H1225 VanDerWaalsContact SG-CE1 3.5Å; H1222-H1225 HydrophobicContact CB-CB 4.44Å; H1222-H1225 AromaticContact CG-ND1 3.98Å; H1222-H1225 AromaticContact ND1-CE1 3.57Å; H1222-H1225 AromaticContact ND1-ND1 3.39Å; H1222-H1225 PolarHBondContact ND1-ND1 2.98Å; H1222-H1225 PolarHBondContact O-N 2.85Å; A1223-H1225 PolarHBondContact O-N 2.97Å; H1225-W1229 VanDerWaalsContact O-CB 3.31Å; H1225-W1229 WeakPolarHBondContact O-CB 3.45Å; H1225-W1229 PolarHBondContact O-N 3.37Å
1226L84Confident75Confident18 Ų1865.5 Ų65.59%0.09434%0.336CS..Hα-helixtrans-71.5-36.2179.2-71.9174.9000111.5I1119 V1212 H1222 A1223 S1224 W1229 F1230 P1247I1119-L1226 HydrophobicContact CD1-CD2 3.91Å; I1119-L1226 HydrophobicContact CD1-CG 4.46Å; V1212-L1226 HydrophobicContact CG2-CB 4.44Å; V1212-L1226 HydrophobicContact CG2-CD1 3.49Å; V1212-L1226 VanDerWaalsContact CG2-CD1 3.49Å; H1222-L1226 PolarHBondContact O-N 3.05Å; A1223-L1226 PolarHBondContact O-N 3.12Å; S1224-L1226 PolarHBondContact O-N 3.3Å; L1226-W1229 PolarHBondContact O-N 2.94Å; L1226-F1230 HydrophobicContact CB-CD2 4.33Å; L1226-F1230 HydrophobicContact CB-CE2 4.34Å; L1226-F1230 HydrophobicContact CD2-CE2 4Å; L1226-F1230 WeakPolarHBondContact O-CB 3.32Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.37Å; L1226-F1230 PolarHBondContact O-N 3.36Å; L1226-P1247 HydrophobicContact CD2-CG 3.89Å
1227T79.8Confident73.5Confident71 Ų7168.1 Ų68.144%0.43634%0.34SS..Hα-helixtrans-62-47.1172.6-64.50000110.6A1223 S1224 W1229 F1230 Y1231A1223-T1227 VanDerWaalsContact O-CB 3.28Å; A1223-T1227 WeakPolarHBondContact O-CB 3.07Å; A1223-T1227 PolarHBondContact O-N 3.4Å; A1223-T1227 PolarHBondContact O-OG1 3.05Å; S1224-T1227 PolarHBondContact O-N 3.1Å; T1227-W1229 VanDerWaalsContact C-N 3.31Å; T1227-W1229 PolarHBondContact O-N 3.29Å; T1227-F1230 PolarHBondContact O-N 3.16Å; T1227-Y1231 HydrophobicContact CG2-CD2 4.08Å; T1227-Y1231 WeakPolarHBondContact O-CA 3.35Å; T1227-Y1231 VanDerWaalsContact O-CB 3.3Å; T1227-Y1231 WeakPolarHBondContact O-CB 3.18Å; T1227-Y1231 WeakPolarHBondContact O-CD2 3.23Å; T1227-Y1231 PolarHBondContact O-N 3.06Å
1228D79.7Confident71.5Confident66 Ų6670.4 Ų70.435%0.35337%0.368SS..Hα-helixtrans-64.1-36.4176.8-67.7-17.5000111.7S1224 G1232S1224-D1228 WeakPolarHBondContact O-CB 3.37Å; S1224-D1228 VanDerWaalsContact O-CG 3.26Å; S1224-D1228 PolarHBondContact O-N 3.3Å; D1228-G1232 WeakPolarHBondContact O-CA 3.45Å; D1228-G1232 PolarHBondContact O-N 3.47Å
1229W84.6Confident69.9Low111 Ų11168.2 Ų68.242%0.4237%0.372SS..Hα-helixtrans-66.2-46.2177.1-179.1-89.4000113.1I1119 H1225 L1226 T1227 S1243 E1245 P1247I1119-W1229 HydrophobicContact CD1-CB 3.63Å; I1119-W1229 HydrophobicContact CD1-CD2 4.32Å; I1119-W1229 HydrophobicContact CD1-CE3 4.27Å; I1119-W1229 HydrophobicContact CD1-CG 4.07Å; I1119-W1229 HydrophobicContact CG1-CE3 4.38Å; H1225-W1229 VanDerWaalsContact O-CB 3.31Å; H1225-W1229 WeakPolarHBondContact O-CB 3.45Å; H1225-W1229 PolarHBondContact O-N 3.37Å; L1226-W1229 PolarHBondContact O-N 2.94Å; T1227-W1229 VanDerWaalsContact C-N 3.31Å; T1227-W1229 PolarHBondContact O-N 3.29Å; W1229-S1243 PolarHBondContact NE1-OG 3.13Å; W1229-S1243 PolarHBondContact O-OG 3.46Å; W1229-E1245 PolarHBondContact NE1-O 3.21Å; W1229-P1247 HydrophobicContact CD2-CB 3.82Å; W1229-P1247 HydrophobicContact CE3-CB 4.27Å; W1229-P1247 HydrophobicContact CG-CB 4.3Å; W1229-P1247 HydrophobicContact CH2-CB 4.21Å; W1229-P1247 HydrophobicContact CZ2-CB 3.75Å; W1229-P1247 HydrophobicContact CZ3-CB 4.45Å
1230F82.8Confident68.1Low21 Ų2172.3 Ų72.39%0.09240%0.396CS..Hα-helixtrans-85.3-26.6-176.6-68.4-58.9000113.2L1226 T1227 S1243 C1255 A1256L1226-F1230 HydrophobicContact CB-CD2 4.33Å; L1226-F1230 HydrophobicContact CB-CE2 4.34Å; L1226-F1230 HydrophobicContact CD2-CE2 4Å; L1226-F1230 WeakPolarHBondContact O-CB 3.32Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.37Å; L1226-F1230 PolarHBondContact O-N 3.36Å; T1227-F1230 PolarHBondContact O-N 3.16Å; F1230-S1243 VanDerWaalsContact CD1-O 3.25Å; F1230-S1243 WeakPolarHBondContact CD1-O 3.48Å; F1230-C1255 HydrophobicContact CE1-CB 4.05Å; F1230-C1255 HydrophobicContact CE2-CB 4.26Å; F1230-C1255 HydrophobicContact CZ-CB 3.54Å; F1230-A1256 HydrophobicContact CB-CB 4.3Å; F1230-A1256 HydrophobicContact CD1-CB 3.62Å; F1230-A1256 HydrophobicContact CE1-CB 4.17Å; F1230-A1256 HydrophobicContact CG-CB 4.06Å
1231Y78.1Confident66.3Low85 Ų8573.7 Ų73.733%0.33341%0.41SS..Hα-helixtrans-136.11.2-168.5-47.4-71.5000115.1T1227 D1259T1227-Y1231 HydrophobicContact CG2-CD2 4.08Å; T1227-Y1231 WeakPolarHBondContact O-CA 3.35Å; T1227-Y1231 VanDerWaalsContact O-CB 3.3Å; T1227-Y1231 WeakPolarHBondContact O-CB 3.18Å; T1227-Y1231 WeakPolarHBondContact O-CD2 3.23Å; T1227-Y1231 PolarHBondContact O-N 3.06Å; Y1231-D1259 PolarHBondContact OH-OD2 3.01Å; Y1231-D1259 VanDerWaalsContact OH-OD2 3.07Å
1232G65.8Low64.9Low25 Ų2580.7 Ų80.726%0.25844%0.438SS..  trans-71.1141.3-178.400000113.5D1228 S1234D1228-G1232 WeakPolarHBondContact O-CA 3.45Å; D1228-G1232 PolarHBondContact O-N 3.47Å; G1232-S1234 VanDerWaalsContact C-N 3.3Å; G1232-S1234 PolarHBondContact O-N 3.41Å
1233D56.2Low63.8Low120 Ų12082.4 Ų82.464%0.64245%0.451SS*.  trans-72.178.3175.4-76.7-28.5000110.8F1235D1233-F1235 VanDerWaalsContact C-N 3.32Å; D1233-F1235 PolarHBondContact O-N 2.91Å
1234S45Very low63.3Low68 Ų6887.6 Ų87.648%0.47647%0.471SS..  trans-73.291.3166.1174.30000109.3G1232 D1236 L1237G1232-S1234 VanDerWaalsContact C-N 3.3Å; G1232-S1234 PolarHBondContact O-N 3.41Å; S1234-D1236 PolarHBondContact O-N 3.2Å; S1234-L1237 PolarHBondContact O-N 3.15Å
1235F48Very low63.4Low199 Ų19991.6 Ų91.687%0.87349%0.488SS*.THydrogen-bonded Turntrans-52.7-17176.9-119.6-93.5000114.8D1233D1233-F1235 VanDerWaalsContact C-N 3.32Å; D1233-F1235 PolarHBondContact O-N 2.91Å
1236D46.5Very low63.4Low151 Ų15190.9 Ų90.981%0.80749%0.486SS*.THydrogen-bonded Turntrans-100.96.4-172.8-75.1-24.4000115.7S1234S1234-D1236 PolarHBondContact O-N 3.2Å
1237L41.6Very low63.5Low124 Ų12490.9 Ų90.965%0.64949%0.487SS*.SBendtrans-128.295.2175.8-73.2163.6000110.2S1234S1234-L1237 PolarHBondContact O-N 3.15Å
1238G38.8Very low63.6Low72 Ų7289.5 Ų89.574%0.74248%0.478SS*.THydrogen-bonded Turntrans-46.3138-17700000115N1240G1238-N1240 PolarHBondContact O-N 3.39Å
1239D45.4Very low63.7Low166 Ų16692.2 Ų92.289%0.88850%0.502SS*.THydrogen-bonded Turntrans40.56161.5-119.27000121.7
1240N44.3Very low63.5Low155 Ų15590.9 Ų90.983%0.82952%0.523SS*.THydrogen-bonded Turntrans-139.820.6171.7-85.5-33.8000113.3G1238 Y1242G1238-N1240 PolarHBondContact O-N 3.39Å; N1240-Y1242 VanDerWaalsContact C-N 3.34Å; N1240-Y1242 PolarHBondContact O-N 3.2Å
1241G47.9Very low63.5Low36 Ų3691 Ų9137%0.37153%0.527SS..  trans-74.836.9-161.600000119.5
1242Y56.7Low63.8Low147 Ų14794.7 Ų94.758%0.57655%0.547SS*.  trans-110.5119.9170.2-57.2-75000110.9N1240 K1244N1240-Y1242 VanDerWaalsContact C-N 3.34Å; N1240-Y1242 PolarHBondContact O-N 3.2Å; Y1242-K1244 PolarHBondContact O-N 3.49Å; Y1242-K1244 VanDerWaalsContact O-N 3.15Å
1243S63.2Low64.5Low42 Ų4294.7 Ų94.729%0.29454%0.543SS..  trans-69.6111.9171.574.10000108.5W1229 F1230W1229-S1243 PolarHBondContact NE1-OG 3.13Å; W1229-S1243 PolarHBondContact O-OG 3.46Å; F1230-S1243 VanDerWaalsContact CD1-O 3.25Å; F1230-S1243 WeakPolarHBondContact CD1-O 3.48Å
1244K71.7Confident65.8Low120 Ų12093.1 Ų93.152%0.52253%0.531SS..  trans-83.6-21.2177.8-67.6-177.4-177.5176.90112.3Y1242 H1254 C1255Y1242-K1244 PolarHBondContact O-N 3.49Å; Y1242-K1244 VanDerWaalsContact O-N 3.15Å; K1244-H1254 CarbonylContact O-C 3.45Å; K1244-H1254 VanDerWaalsContact O-C 3.31Å; K1244-H1254 WeakPolarHBondContact O-CA 3.42Å; K1244-C1255 PolarHBondContact O-N 2.88Å
1245E83Confident67.5Low99 Ų9990.6 Ų90.646%0.46351%0.513SS..SBendtrans-94.8152.6-172.3-63.2-173167.200112.3W1229 H1254W1229-E1245 PolarHBondContact NE1-O 3.21Å; E1245-H1254 IonicContact OE1-CE1 3.27Å; E1245-H1254 IonicContact OE1-NE2 3.87Å
1246C87.8Confident68.8Low12 Ų1281.2 Ų81.28%0.08147%0.473CS..  trans-56.5136.8179.8-171.10000111.4V1248 C1251 C1253C1246-V1248 PolarHBondContact O-N 3.43Å; C1246-C1251 HydrophobicContact CB-CB 3.87Å; C1246-C1253 HydrophobicContact CB-CB 4.44Å; C1246-C1253 WeakPolarHBondContact CB-O 3.26Å; C1246-C1253 PolarHBondContact N-O 3.16Å
1247P86.3Confident70.1Confident19 Ų1976.8 Ų76.812%0.12346%0.457CS..SBendtrans-62.4-14.3177.121.6-33.3000114.7S1118 I1119 L1226 W1229 S1249S1118-P1247 VanDerWaalsContact OG-CG 3.23Å; S1118-P1247 WeakPolarHBondContact OG-CG 3.46Å; I1119-P1247 HydrophobicContact CD1-CG 4.49Å; I1119-P1247 HydrophobicContact CG1-CB 4.04Å; I1119-P1247 HydrophobicContact CG1-CG 4.25Å; L1226-P1247 HydrophobicContact CD2-CG 3.89Å; W1229-P1247 HydrophobicContact CD2-CB 3.82Å; W1229-P1247 HydrophobicContact CE3-CB 4.27Å; W1229-P1247 HydrophobicContact CG-CB 4.3Å; W1229-P1247 HydrophobicContact CH2-CB 4.21Å; W1229-P1247 HydrophobicContact CZ2-CB 3.75Å; W1229-P1247 HydrophobicContact CZ3-CB 4.45Å; P1247-S1249 PolarHBondContact O-N 2.92Å
1248V83.3Confident71.4Confident41 Ų4175.8 Ų75.825%0.24845%0.452CS..SBendtrans-76.6117.1179.9178.70000109.8H1219 C1246 G1250 C1251H1219-V1248 HydrophobicContact CB-CG2 3.77Å; H1219-V1248 VanDerWaalsContact CG-CG2 3.5Å; C1246-V1248 PolarHBondContact O-N 3.43Å; V1248-G1250 PolarHBondContact O-N 3.23Å; V1248-C1251 HydrophobicContact CB-CB 4.1Å; V1248-C1251 HydrophobicContact CG1-CB 4.46Å; V1248-C1251 WeakPolarHBondContact O-CB 3.27Å; V1248-C1251 PolarHBondContact O-N 3.09Å
1249S80.6Confident72.7Confident123 Ų12375.4 Ų75.486%0.8643%0.433SS*.THydrogen-bonded Turntrans-51.3125.9178.2-51.30000111.8P1247P1247-S1249 PolarHBondContact O-N 2.92Å
1250G81.4Confident73.2Confident84 Ų8472.7 Ų72.787%0.86642%0.422SS*.THydrogen-bonded Turntrans87.5-5.2-177.100000115.1V1248V1248-G1250 PolarHBondContact O-N 3.23Å
1251C81.8Confident73.4Confident24 Ų2470.7 Ų70.716%0.16241%0.411CS..  trans-90.4110.2174.6-170.90000111.2H1219 C1246 V1248 C1253H1219-C1251 PolarHBondContact ND1-SG 3.29Å; C1246-C1251 HydrophobicContact CB-CB 3.87Å; V1248-C1251 HydrophobicContact CB-CB 4.1Å; V1248-C1251 HydrophobicContact CG1-CB 4.46Å; V1248-C1251 WeakPolarHBondContact O-CB 3.27Å; V1248-C1251 PolarHBondContact O-N 3.09Å; C1251-C1253 PolarHBondContact O-N 3.32Å; C1251-C1253 VanDerWaalsContact SG-CB 3.54Å
1252Q83.7Confident73.3Confident162 Ų16271.1 Ų71.176%0.75740%0.404SS*.  trans-82.711.9178.2-61.7175.7-5.200113.4H1254Q1252-H1254 PolarHBondContact O-N 3.42Å; Q1252-H1254 PolarHBondContact O-ND1 3.18Å
1253C80.8Confident72.4Confident25 Ų2568.6 Ų68.617%0.16940%0.404CS..  trans-73.6121.7-177-173.90000110.4C1217 C1246 C1251 C1255C1217-C1253 HydrophobicContact CB-CB 3.61Å; C1246-C1253 HydrophobicContact CB-CB 4.44Å; C1246-C1253 WeakPolarHBondContact CB-O 3.26Å; C1246-C1253 PolarHBondContact N-O 3.16Å; C1251-C1253 PolarHBondContact O-N 3.32Å; C1251-C1253 VanDerWaalsContact SG-CB 3.54Å; C1253-C1255 PolarHBondContact O-N 2.94Å
1254H84.1Confident71.2Confident87 Ų8772.7 Ų72.740%0.40342%0.422SS..  trans-79.368.6177.6-69.252.1000110.7K1244 E1245 Q1252 A1256 A1257 L1258K1244-H1254 CarbonylContact O-C 3.45Å; K1244-H1254 VanDerWaalsContact O-C 3.31Å; K1244-H1254 WeakPolarHBondContact O-CA 3.42Å; E1245-H1254 IonicContact OE1-CE1 3.27Å; E1245-H1254 IonicContact OE1-NE2 3.87Å; Q1252-H1254 PolarHBondContact O-N 3.42Å; Q1252-H1254 PolarHBondContact O-ND1 3.18Å; H1254-A1256 VanDerWaalsContact C-N 3.28Å; H1254-A1256 PolarHBondContact O-N 2.94Å; H1254-A1257 HydrophobicContact CB-CB 4.11Å; H1254-A1257 WeakPolarHBondContact O-CB 3.46Å; H1254-A1257 PolarHBondContact O-N 3.42Å; H1254-L1258 PolarHBondContact O-N 2.82Å
1255C81.5Confident69.5Low14 Ų1470.4 Ų70.410%0.09542%0.421CS..G310 helixtrans-57.5-39.5-168.4-64.20000112.6C1214 F1230 K1244 C1253 A1257 L1258 D1259C1214-C1255 HydrophobicContact CB-CB 4.35Å; F1230-C1255 HydrophobicContact CE1-CB 4.05Å; F1230-C1255 HydrophobicContact CE2-CB 4.26Å; F1230-C1255 HydrophobicContact CZ-CB 3.54Å; K1244-C1255 PolarHBondContact O-N 2.88Å; C1253-C1255 PolarHBondContact O-N 2.94Å; C1255-A1257 VanDerWaalsContact C-N 3.3Å; C1255-A1257 PolarHBondContact O-N 3.21Å; C1255-L1258 PolarHBondContact O-N 2.98Å; C1255-D1259 PolarHBondContact O-N 3.42Å
1256A74.3Confident67.2Low3 Ų372.5 Ų72.53%0.02543%0.431CS..G310 helixtrans-65.8-30178.900000113.5F1230 H1254 L1258 D1259F1230-A1256 HydrophobicContact CB-CB 4.3Å; F1230-A1256 HydrophobicContact CD1-CB 3.62Å; F1230-A1256 HydrophobicContact CE1-CB 4.17Å; F1230-A1256 HydrophobicContact CG-CB 4.06Å; H1254-A1256 VanDerWaalsContact C-N 3.28Å; H1254-A1256 PolarHBondContact O-N 2.94Å; A1256-L1258 VanDerWaalsContact C-N 3.29Å; A1256-D1259 WeakPolarHBondContact O-CB 3.23Å; A1256-D1259 PolarHBondContact O-N 3.48Å
1257A73.3Confident64.7Low58 Ų5878.2 Ų78.248%0.47946%0.46SS..G310 helixtrans-75.8-20.2177.700000112.6H1254 C1255 D1259H1254-A1257 HydrophobicContact CB-CB 4.11Å; H1254-A1257 WeakPolarHBondContact O-CB 3.46Å; H1254-A1257 PolarHBondContact O-N 3.42Å; C1255-A1257 VanDerWaalsContact C-N 3.3Å; C1255-A1257 PolarHBondContact O-N 3.21Å; A1257-D1259 VanDerWaalsContact C-N 3.35Å
1258L70.5Confident62.2Low103 Ų10383.6 Ų83.654%0.53949%0.488SS..G310 helixtrans-85.1-12173.1-62.3172.8000112.3A1216 H1254 C1255 A1256 V1260A1216-L1258 HydrophobicContact CB-CD1 3.47Å; A1216-L1258 VanDerWaalsContact CB-CD1 3.47Å; H1254-L1258 PolarHBondContact O-N 2.82Å; C1255-L1258 PolarHBondContact O-N 2.98Å; A1256-L1258 VanDerWaalsContact C-N 3.29Å; L1258-V1260 PolarHBondContact O-N 2.94Å
1259D65.7Low59.7Low63 Ų6391.9 Ų91.934%0.33752%0.516SS..SBendtrans-75.7118.5174.1-1680.5000109.4Y1231 C1255 A1256 A1257 N1261 Q1262Y1231-D1259 PolarHBondContact OH-OD2 3.01Å; Y1231-D1259 VanDerWaalsContact OH-OD2 3.07Å; C1255-D1259 PolarHBondContact O-N 3.42Å; A1256-D1259 WeakPolarHBondContact O-CB 3.23Å; A1256-D1259 PolarHBondContact O-N 3.48Å; A1257-D1259 VanDerWaalsContact C-N 3.35Å; D1259-N1261 PolarHBondContact O-N 3.19Å; D1259-Q1262 PolarHBondContact O-N 3.39Å; D1259-Q1262 VanDerWaalsContact O-N 3.1Å
1260V55.9Low57.3Low110 Ų11091.1 Ų91.167%0.66751%0.51SS*.THydrogen-bonded Turntrans-56-22.5-171.4-175.50000112L1258 Q1262 T1263L1258-V1260 PolarHBondContact O-N 2.94Å; V1260-Q1262 VanDerWaalsContact C-N 3.31Å; V1260-Q1262 PolarHBondContact O-N 3.17Å; V1260-T1263 PolarHBondContact O-N 3.45Å; V1260-T1263 PolarHBondContact O-OG1 2.82Å
1261N49Very low54.9Low113 Ų11398.4 Ų98.460%0.60451%0.512SS*.THydrogen-bonded Turntrans-64-24.1178.5-77.5-32000114.9D1259D1259-N1261 PolarHBondContact O-N 3.19Å
1262Q44.7Very low52.4Low44 Ų44102.4 Ų102.421%0.20654%0.54CS..Hα-helixtrans-72.1-28.2175.9-77.4-162.61.200113.2D1259 V1260 L1264 S1265 Q1266D1259-Q1262 PolarHBondContact O-N 3.39Å; D1259-Q1262 VanDerWaalsContact O-N 3.1Å; V1260-Q1262 VanDerWaalsContact C-N 3.31Å; V1260-Q1262 PolarHBondContact O-N 3.17Å; Q1262-L1264 PolarHBondContact O-N 3.18Å; Q1262-S1265 PolarHBondContact O-N 2.95Å; Q1262-S1265 PolarHBondContact O-OG 3.21Å; Q1262-Q1266 PolarHBondContact O-N 3.01Å
1263T38.3Very low49.8Very low95 Ų95100.2 Ų100.258%0.58354%0.542SS*.Hα-helixtrans-64.4-23.6-179-9.20000112.6V1260V1260-T1263 PolarHBondContact O-N 3.45Å; V1260-T1263 PolarHBondContact O-OG1 2.82Å
1264L37.9Very low47.3Very low128 Ų128106.7 Ų106.767%0.6757%0.574SS**Hα-helixtrans-83.1-29.5178.5-88.7147.5000113.6Q1262Q1262-L1264 PolarHBondContact O-N 3.18Å
1265S35.7Very low44.7Very low72 Ų72110.7 Ų110.750%0.50360%0.598SS.*Hα-helixtrans-82.8-31.8-17956.70000113.1Q1262 L1267 N1268Q1262-S1265 PolarHBondContact O-N 2.95Å; Q1262-S1265 PolarHBondContact O-OG 3.21Å; S1265-L1267 VanDerWaalsContact C-N 3.31Å; S1265-L1267 PolarHBondContact O-N 3.25Å; S1265-N1268 PolarHBondContact O-N 3.12Å
1266Q34.8Very low42.4Very low142 Ų142115.6 Ų115.666%0.66463%0.633SS**G310 helixtrans-72.7-20.7179-68.4-168.4900114.1Q1262 N1268Q1262-Q1266 PolarHBondContact O-N 3.01Å; Q1266-N1268 PolarHBondContact O-N 2.71Å
1267L34.6Very low40.1Very low132 Ų132127.5 Ų127.569%0.69168%0.677SS**G310 helixtrans-74.8-8.3177.1-79.4166.4000114.1S1265S1265-L1267 VanDerWaalsContact C-N 3.31Å; S1265-L1267 PolarHBondContact O-N 3.25Å
1268N34.8Very low38.1Very low133 Ų133129.7 Ų129.771%0.71169%0.689SS**G310 helixtrans-102.4-6.6-178.4-78.6-20.8000115.2S1265 Q1266S1265-N1268 PolarHBondContact O-N 3.12Å; Q1266-N1268 PolarHBondContact O-N 2.71Å
1269Y31.1Very low36.7Very low215 Ų215130.3 Ų130.384%0.84370%0.699SS**THydrogen-bonded Turntrans-87-4.1-177.9-106.7-82.5000115.6
1270S30.5Very low35.2Very low106 Ų106135.2 Ų135.274%0.74173%0.725SS**THydrogen-bonded Turntrans-101.219.7179.248.30000114.3
1271R30Very low34Very low237 Ų237134.3 Ų134.389%0.89472%0.724SS**SBendtrans-135.250.6-175.6-125.2-179.1-172.9-167.72.4114.9
1272S29.9Very low33Very low108 Ų108136.6 Ų136.676%0.75573%0.731SS**  trans-155.965.9166.161.10000113.2
1273S28.9Very low32.2Very low116 Ų116142.4 Ų142.481%0.81176%0.758SS**  trans-15351.3160.461.20000110.7
1274I29.1Very low31.8Very low161 Ų161142.9 Ų142.983%0.82677%0.765SS**  trans-139.283.7169.1-54.3177.7000107.5
1275N28.7Very low31.2Very low171 Ų171142 Ų14291%0.91477%0.77SS**  trans-162.682156.2-104.3-13.7000109.6
1276S32.2Very low30.9Very low117 Ų117144.6 Ų144.682%0.81879%0.788SS**  trans-147.3101152.755.70000107.8
1277R26.3Very low30.5Very low253 Ų253145.2 Ų145.296%0.95580%0.795SS**  trans-62.8128.6164.3-96.9175.9169.4-176.3-3.8108.9
1278S31.9Very low30.3Very low105 Ų105143.4 Ų143.473%0.73479%0.789SS**  trans-139.6115.114848.50000106.7
1279P40.6Very low30.3Very low115 Ų115145.3 Ų145.375%0.74780%0.799SS**  trans-84.7124175.232.2-24.9000108
1280D34.6Very low30.3Very low167 Ų167141.7 Ų141.789%0.89379%0.794SS**  trans-149.6148.9156-86.7-37.2000109.6
1281S30.1Very low30.4Very low91 Ų91145.8 Ų145.864%0.63680%0.802SS**  trans-90.8168.7-154.642.50000114.2
1282E29.4Very low31.3Very low161 Ų161139.2 Ų139.275%0.75279%0.79SS**  trans86.8107.2147.5-78164.5-165.300120.1
1283E27.8Very low31.3Very low166 Ų166142.2 Ų142.278%0.77680%0.796SS**  95.5125.2118.1-81.1-174.4168.500121.7
1284S29.4Very low31.7Very low104 Ų104143.8 Ų143.873%0.72783%0.83SS**  trans84.987.3140.469.70000118.4
1285S24.6Very low31.8Very low110 Ų110142.9 Ų142.977%0.76983%0.83SS**  trans-19.2134130.4540000116.6
1286S29.9Very low32Very low127 Ų127141.4 Ų141.489%0.88883%0.826SS**  trans-146.8134130.457.70000110.1
1287L27.5Very low32Very low154 Ų154142.8 Ų142.881%0.80683%0.826SS**  trans-85144.5-170.1-78.8144.9000111.1
1288V28.7Very low32.3Very low95 Ų95136.3 Ų136.358%0.57682%0.819SS**  trans46.3108.4130.4-1730000117.4
1289D35Very low32.3Very low173 Ų173138.3 Ų138.393%0.92582%0.824SS**  trans-112.1107.5144.5-81.2-38.3000108.8
1290N30.6Very low31.8Very low138 Ų138139.8 Ų139.874%0.73883%0.829SS**  trans-83.7138.8162-79.4-46.3000108
1291E34.1Very low31.6Very low193 Ų193137.9 Ų137.990%0.90283%0.825SS**  trans-161.3155.3140.6-97.5-144.9146.400112
1292P47.7Very low31.7Very low98 Ų98141.5 Ų141.564%0.63684%0.839SS**  trans-122161.4-139.430.1-10.2000116
1293I29.6Very low31.9Very low171 Ų171139.8 Ų139.888%0.87785%0.846SS**  trans43.8106.9148.4-53.2168.2000117.5
1294G37.9Very low32.3Very low149 Ų149137.5 Ų137.5100%1.53685%0.853SS**  trans-124.90146.600000109.5

Retrieved 1,294 of 1,294 residues in 2392.3 ms (Link to these results)

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