A0A3Q0KRW0_SCHMA Loading...

Cation-transporting ATPase

AlphaFold DB , UniProt , Accession A0A3Q0KRW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,169 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
1M54.6Low67Low86 Ų8658.5 Ų58.542%0.42436%0.361SS..  0142.90-67.8-175.4170.100108.8V11 L13 V88 F132 D138 F140M1-V11 HydrophobicContact SD-CG1 4.24Å; M1-L13 HydrophobicContact CE-CD1 3.4Å; M1-L13 VanDerWaalsContact CE-CD1 3.4Å; M1-L13 HydrophobicContact CE-CD2 3.87Å; M1-L13 HydrophobicContact CE-CG 3.62Å; M1-V88 HydrophobicContact CE-CG2 3.63Å; M1-F132 HydrophobicContact CE-CD1 4.17Å; M1-F132 HydrophobicContact CE-CE1 3.79Å; M1-F132 HydrophobicContact SD-CD1 4.19Å; M1-F132 HydrophobicContact SD-CE1 3.63Å; M1-D138 VanDerWaalsContact CA-O 3.24Å; M1-D138 WeakPolarHBondContact CA-O 3.5Å; M1-D138 VanDerWaalsContact CB-O 3.24Å; M1-D138 WeakPolarHBondContact CB-O 3.46Å; M1-D138 HydrophobicContact CE-CB 4.13Å; M1-D138 HydrophobicContact CG-CB 4.19Å; M1-D138 VanDerWaalsContact CG-O 3.32Å; M1-D138 WeakPolarHBondContact CG-O 3.41Å; M1-F140 HydrophobicContact CB-CD1 4.21Å; M1-F140 HydrophobicContact CB-CE1 4.31Å; M1-F140 HydrophobicContact SD-CD1 4.17Å
2V50.5Low68.4Low88 Ų8857.9 Ų57.953%0.53335%0.351SS..BIsolated β-bridgetrans-76.2139.1177.5179.50000109.8K137V2-K137 HydrophobicContact CG2-CD 4.46Å
3Q55.4Low69.8Low120 Ų12054.1 Ų54.156%0.56133%0.327SS*.  trans-83.6134.5-169.9-124.2172.9-1200112I8Q3-I8 PolarHBondContact NE2-O 3.03Å
4S57.1Low70.9Confident68 Ų6851.2 Ų51.248%0.47631%0.308SS..  trans-117.8-28.6168.261.10000113.1F140 H141S4-F140 PolarHBondContact OG-O 3.42Å; S4-H141 WeakPolarHBondContact OG-CA 3.26Å
5D65.8Low72.1Confident30 Ų3049.1 Ų49.116%0.1630%0.295CS..  trans-106134.4-176.2-163-9.3000111.6D7 Y130D5-D7 VanDerWaalsContact C-N 3.26Å; D5-D7 PolarHBondContact O-N 3.01Å; D5-D7 PolarHBondContact OD1-N 3.35Å; D5-Y130 HydrophobicContact CB-CE1 4.31Å; D5-Y130 WeakPolarHBondContact OD2-CE1 3.02Å; D5-Y130 PolarHBondContact OD2-OH 2.78Å
6A66.6Low72.8Confident83 Ų8350.3 Ų50.369%0.68630%0.3SS*.THydrogen-bonded Turntrans-73.1-17.9179.100000112.9T99A6-T99 WeakPolarHBondContact O-CG2 3.13Å; A6-T99 PolarHBondContact O-OG1 2.86Å
7D71.6Confident73.5Confident53 Ų5353.2 Ų53.228%0.28330%0.304SS..THydrogen-bonded Turntrans-82.3-15.9-177.6-70.5-11.8000113.3D5 P98 T99 T102 K379D5-D7 VanDerWaalsContact C-N 3.26Å; D5-D7 PolarHBondContact O-N 3.01Å; D5-D7 PolarHBondContact OD1-N 3.35Å; D7-P98 WeakPolarHBondContact O-CA 3.49Å; D7-T99 PolarHBondContact O-N 3.4Å; D7-T99 PolarHBondContact O-OG1 3.02Å; D7-T102 PolarHBondContact O-OG1 3.47Å; D7-K379 IonicContact OD2-NZ 2.72Å; D7-K379 PolarHBondContact OD2-NZ 3.41Å
8I76.4Confident74.1Confident0 Ų054.9 Ų54.90%032%0.317CS..EExtended strand (participates in β ladder)trans-113119.4-174.9-61.9174.7000109.9Q3 V11 V96 F125 Y130 F140Q3-I8 PolarHBondContact NE2-O 3.03Å; I8-V11 HydrophobicContact CG2-CG2 3.57Å; I8-V96 HydrophobicContact CD1-CG1 4.06Å; I8-V96 HydrophobicContact CG1-CG1 4.07Å; I8-V96 HydrophobicContact CG2-CG1 3.78Å; I8-F125 HydrophobicContact CD1-CD1 4.09Å; I8-F125 HydrophobicContact CG1-CD1 4.24Å; I8-F125 HydrophobicContact CG1-CE1 4.26Å; I8-Y130 HydrophobicContact CD1-CD1 4.45Å; I8-Y130 HydrophobicContact CD1-CE1 3.81Å; I8-Y130 HydrophobicContact CD1-CE2 4.08Å; I8-F140 HydrophobicContact CB-CE2 4.38Å; I8-F140 HydrophobicContact CB-CZ 4.33Å; I8-F140 HydrophobicContact CD1-CE2 3.91Å; I8-F140 HydrophobicContact CG2-CE2 4.34Å; I8-F140 HydrophobicContact CG2-CZ 3.97Å
9A76.7Confident74.3Confident44 Ų4457.3 Ų57.336%0.36433%0.333SS..EExtended strand (participates in β ladder)trans-79.2-45179.200000112.6V97 T99A9-V97 WeakPolarHBondContact CA-O 3.34Å; A9-V97 HydrophobicContact CB-CG1 4.4Å; A9-V97 WeakPolarHBondContact CB-O 3.36Å; A9-V97 PolarHBondContact N-O 3.48Å; A9-T99 HydrophobicContact CB-CG2 4.09Å
10S80.2Confident74.6Confident54 Ų5460.8 Ų60.838%0.37835%0.349SS..EExtended strand (participates in β ladder)trans-154.7153.2177.5680000112.2V97S10-V97 PolarHBondContact N-O 3.37Å; S10-V97 VanDerWaalsContact N-O 3.12Å; S10-V97 PolarHBondContact O-N 3Å; S10-V97 WeakPolarHBondContact OG-CB 3.24Å; S10-V97 WeakPolarHBondContact OG-CG2 3.14Å
11V82.1Confident75Confident18 Ų1862 Ų6211%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-129.3126.8177.91780000108.2M1 I8 V94 K95 F140M1-V11 HydrophobicContact SD-CG1 4.24Å; I8-V11 HydrophobicContact CG2-CG2 3.57Å; V11-V94 HydrophobicContact CG1-CG1 3.3Å; V11-K95 WeakPolarHBondContact CA-O 3.41Å; V11-F140 HydrophobicContact CB-CD1 4.36Å; V11-F140 HydrophobicContact CB-CE1 3.93Å; V11-F140 HydrophobicContact CG2-CD1 4.06Å; V11-F140 HydrophobicContact CG2-CE1 3.45Å; V11-F140 VanDerWaalsContact CG2-CE1 3.45Å; V11-F140 HydrophobicContact CG2-CE2 4.27Å; V11-F140 HydrophobicContact CG2-CZ 3.58Å
12E84.3Confident76.4Confident51 Ų5158.6 Ų58.624%0.23834%0.338CS..EExtended strand (participates in β ladder)trans-122.5137.6177.9-61.1-168.7119.500110.8F14 K84 V94 K95E12-F14 HydrophobicContact CB-CD2 4.34Å; E12-F14 HydrophobicContact CB-CE2 3.6Å; E12-F14 HydrophobicContact CB-CZ 4.24Å; E12-K84 IonicContact OE1-NZ 3.95Å; E12-K84 PolarHBondContact OE1-NZ 3.15Å; E12-V94 CarbonylContact O-C 3.5Å; E12-V94 WeakPolarHBondContact O-CA 3.43Å; E12-K95 HydrophobicContact CB-CB 4.32Å; E12-K95 PolarHBondContact N-O 2.77Å; E12-K95 PolarHBondContact O-N 3.05Å; E12-K95 IonicContact OE2-NZ 3.18Å; E12-K95 PolarHBondContact OE2-NZ 3.33Å
13L85.6Confident77.8Confident8 Ų855.1 Ų55.14%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-94.9138.4-177.8-67.4-179.3000112.4M1 Q85 S87 V88 S91 V94 I110 F132M1-L13 HydrophobicContact CE-CD1 3.4Å; M1-L13 VanDerWaalsContact CE-CD1 3.4Å; M1-L13 HydrophobicContact CE-CD2 3.87Å; M1-L13 HydrophobicContact CE-CG 3.62Å; L13-Q85 PolarHBondContact O-N 2.76Å; L13-S87 VanDerWaalsContact CD1-C 3.48Å; L13-V88 HydrophobicContact CD1-CB 4.48Å; L13-V88 HydrophobicContact CD1-CG2 3.95Å; L13-V88 HydrophobicContact CD2-CG2 4.49Å; L13-S91 WeakPolarHBondContact CB-OG 3.49Å; L13-V94 HydrophobicContact CD2-CG2 3.84Å; L13-I110 HydrophobicContact CD2-CD1 4.23Å; L13-F132 HydrophobicContact CD2-CZ 4.25Å
14F86.1Confident79Confident14 Ų1452.3 Ų52.36%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-140.7150.6-174.9-72.3-77.8000113.4E12 C78 C82 K83 K84 E92 Y93 K95E12-F14 HydrophobicContact CB-CD2 4.34Å; E12-F14 HydrophobicContact CB-CE2 3.6Å; E12-F14 HydrophobicContact CB-CZ 4.24Å; F14-C78 HydrophobicContact CE1-CB 4.07Å; F14-C78 HydrophobicContact CE2-CB 4.44Å; F14-C78 HydrophobicContact CZ-CB 3.96Å; F14-C82 HydrophobicContact CB-CB 3.95Å; F14-C82 HydrophobicContact CD1-CB 3.52Å; F14-C82 HydrophobicContact CE1-CB 4.35Å; F14-C82 HydrophobicContact CG-CB 3.99Å; F14-K83 WeakPolarHBondContact CA-O 3.45Å; F14-K84 HydrophobicContact CD1-CB 4.42Å; F14-K84 HydrophobicContact CE1-CB 4.09Å; F14-E92 PolarHBondContact O-N 2.98Å; F14-E92 VanDerWaalsContact O-N 3.12Å; F14-Y93 PolarHBondContact N-O 3.19Å; F14-Y93 PolarHBondContact O-N 2.71Å; F14-Y93 VanDerWaalsContact O-O 3.07Å; F14-K95 HydrophobicContact CD2-CB 3.8Å; F14-K95 HydrophobicContact CE2-CB 3.51Å; F14-K95 HydrophobicContact CE2-CD 3.94Å; F14-K95 HydrophobicContact CE2-CG 4.38Å; F14-K95 HydrophobicContact CZ-CD 4.47Å
15T88Confident80.3Confident19 Ų1950.7 Ų50.712%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-119.6147.8162.5350000111.3C82 K83 Q85 A90 E92T15-C82 CarbonylContact O-C 3.57Å; T15-C82 WeakPolarHBondContact O-CA 3.46Å; T15-K83 PolarHBondContact N-O 3.47Å; T15-K83 PolarHBondContact O-N 3.36Å; T15-Q85 VanDerWaalsContact CG2-CD 3.49Å; T15-Q85 HydrophobicContact CG2-CG 4.41Å; T15-Q85 PolarHBondContact OG1-NE2 3.33Å; T15-A90 WeakPolarHBondContact CG2-O 3.29Å; T15-E92 HydrophobicContact CG2-CB 4.42Å; T15-E92 HydrophobicContact CG2-CG 4.22Å
16L83.7Confident81.2Confident69 Ų6952.9 Ų52.936%0.36130%0.302SS..EExtended strand (participates in β ladder)trans-71.3138.2172.7-77.4173.8000110.3Y93L16-Y93 HydrophobicContact CB-CE2 4.37Å; L16-Y93 HydrophobicContact CD1-CD2 4.19Å; L16-Y93 HydrophobicContact CD1-CE2 3.26Å; L16-Y93 WeakPolarHBondContact CD1-OH 3.23Å; L16-Y93 HydrophobicContact CD2-CE2 4.44Å; L16-Y93 HydrophobicContact CG-CD2 3.83Å; L16-Y93 HydrophobicContact CG-CE2 3.4Å
17R84.7Confident82.1Confident100 Ų10052 Ų5238%0.37729%0.29SS..PPolyproline II helixtrans-75154.8165.8-61.7179.8-168.1-174.77.4108.5L21 H22 T81 C82R17-L21 HydrophobicContact CB-CB 4.28Å; R17-H22 PolarHBondContact O-NE2 3Å; R17-H22 VanDerWaalsContact O-NE2 3.12Å; R17-T81 WeakPolarHBondContact CB-O 3.5Å; R17-T81 WeakPolarHBondContact CG-O 3.32Å; R17-T81 PolarHBondContact N-O 3.19Å; R17-C82 PolarHBondContact NE-O 2.96Å; R17-C82 PolarHBondContact NH2-O 3.21Å
18P84.7Confident82.9Confident83 Ų8350.4 Ų50.454%0.53928%0.28SS..PPolyproline II helixtrans-50.9144.6166.7-25.233.2000110.9L20 L21 H22P18-L20 PolarHBondContact O-N 2.93Å; P18-L20 VanDerWaalsContact O-N 3.12Å; P18-L21 HydrophobicContact CG-CD1 4.07Å; P18-L21 CarbonylContact O-C 3.59Å; P18-L21 WeakPolarHBondContact O-CA 3.48Å; P18-L21 PolarHBondContact O-N 3.38Å; P18-H22 PolarHBondContact O-CD2 3.45Å; P18-H22 PolarHBondContact O-N 3.43Å
19T78.6Confident83.3Confident100 Ų10053.9 Ų53.961%0.61330%0.301SS*.G310 helixtrans-54.9-35-17750.60000112.9L21 H22 V25T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 3.07Å; T19-H22 WeakPolarHBondContact O-CB 3.38Å; T19-H22 PolarHBondContact O-N 3.33Å; T19-V25 WeakPolarHBondContact O-CG2 3.49Å
20L79.5Confident83.9Confident127 Ų12756.3 Ų56.367%0.66531%0.307SS*.G310 helixtrans-65-30.4174.9-68.6170.1000113.3P18 L26P18-L20 PolarHBondContact O-N 2.93Å; P18-L20 VanDerWaalsContact O-N 3.12Å; L20-L26 WeakPolarHBondContact O-CB 3.46Å
21L82.4Confident84.2Confident88 Ų8857.9 Ų57.946%0.46131%0.311SS..G310 helixtrans-94.45.6-180-68.5178.5000113.2R17 P18 T19 G23 L26R17-L21 HydrophobicContact CB-CB 4.28Å; P18-L21 HydrophobicContact CG-CD1 4.07Å; P18-L21 CarbonylContact O-C 3.59Å; P18-L21 WeakPolarHBondContact O-CA 3.48Å; P18-L21 PolarHBondContact O-N 3.38Å; T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 3.07Å; L21-G23 PolarHBondContact O-N 2.96Å; L21-L26 HydrophobicContact CD2-CD2 3.99Å
22H84.3Confident84.5Confident14 Ų1459.5 Ų59.57%0.06532%0.315CS..SBendtrans-62138.1170.4-71.9175.8000109.8R17 P18 T19 Y24 V25 L26R17-H22 PolarHBondContact O-NE2 3Å; R17-H22 VanDerWaalsContact O-NE2 3.12Å; P18-H22 PolarHBondContact O-CD2 3.45Å; P18-H22 PolarHBondContact O-N 3.43Å; T19-H22 WeakPolarHBondContact O-CB 3.38Å; T19-H22 PolarHBondContact O-N 3.33Å; H22-Y24 HydrophobicContact CB-CD1 3.93Å; H22-Y24 HydrophobicContact CB-CE1 3.68Å; H22-Y24 HydrophobicContact CB-CE2 4.31Å; H22-Y24 HydrophobicContact CB-CG 4.36Å; H22-Y24 AromaticContact CG-CE1 3.84Å; H22-Y24 AromaticContact CG-CZ 3.92Å; H22-Y24 AromaticContact ND1-CE1 3.5Å; H22-Y24 AromaticContact ND1-CZ 3.23Å; H22-Y24 PolarHBondContact ND1-OH 3.19Å; H22-Y24 PolarHBondContact O-N 3.33Å; H22-V25 HydrophobicContact CB-CG2 4.18Å; H22-V25 PolarHBondContact O-N 3.3Å; H22-L26 PolarHBondContact O-N 2.94Å; H22-L26 VanDerWaalsContact O-N 3.14Å
23G79.8Confident84.7Confident14 Ų1460.5 Ų60.514%0.14433%0.328CS..THydrogen-bonded Turntrans-60.4-16.4-18000000114.3L21 P27 M80L21-G23 PolarHBondContact O-N 2.96Å; G23-P27 WeakPolarHBondContact O-CD 3.34Å; G23-P27 VanDerWaalsContact O-CG 3.25Å; G23-P27 WeakPolarHBondContact O-CG 3.32Å; G23-M80 PolarHBondContact N-O 3.4Å; G23-M80 VanDerWaalsContact O-CE 3.26Å; G23-M80 WeakPolarHBondContact O-CE 3.46Å
24Y81.5Confident84.8Confident61 Ų6164.8 Ų64.824%0.23936%0.355CS..THydrogen-bonded Turntrans-94.9-1.2175.165.3-102.1000114.2H22 F28 Q63 T81H22-Y24 HydrophobicContact CB-CD1 3.93Å; H22-Y24 HydrophobicContact CB-CE1 3.68Å; H22-Y24 HydrophobicContact CB-CE2 4.31Å; H22-Y24 HydrophobicContact CB-CG 4.36Å; H22-Y24 AromaticContact CG-CE1 3.84Å; H22-Y24 AromaticContact CG-CZ 3.92Å; H22-Y24 AromaticContact ND1-CE1 3.5Å; H22-Y24 AromaticContact ND1-CZ 3.23Å; H22-Y24 PolarHBondContact ND1-OH 3.19Å; H22-Y24 PolarHBondContact O-N 3.33Å; Y24-F28 WeakPolarHBondContact O-CD2 3.37Å; Y24-Q63 PolarHBondContact O-NE2 2.89Å; Y24-T81 HydrophobicContact CD1-CG2 4.33Å; Y24-T81 HydrophobicContact CE1-CG2 3.75Å
25V84.7Confident84.7Confident34 Ų3466 Ų6621%0.20636%0.359CS..THydrogen-bonded Turntrans-112.8-63.6177.7-177.10000110.1T19 H22 F28 V29T19-V25 WeakPolarHBondContact O-CG2 3.49Å; H22-V25 HydrophobicContact CB-CG2 4.18Å; H22-V25 PolarHBondContact O-N 3.3Å; V25-F28 PolarHBondContact O-N 3.4Å; V25-V29 HydrophobicContact CG1-CG2 3.94Å; V25-V29 WeakPolarHBondContact O-CG2 3.36Å; V25-V29 PolarHBondContact O-N 2.97Å
26L84.6Confident84.5Confident77 Ų7768.9 Ų68.940%0.40337%0.372SS..Hα-helixtrans-54.8-51.4-172.2-174.571.3000113.2L20 L21 H22 F28 V29 I30L20-L26 WeakPolarHBondContact O-CB 3.46Å; L21-L26 HydrophobicContact CD2-CD2 3.99Å; H22-L26 PolarHBondContact O-N 2.94Å; H22-L26 VanDerWaalsContact O-N 3.14Å; L26-F28 VanDerWaalsContact C-N 3.26Å; L26-F28 PolarHBondContact O-N 3.37Å; L26-V29 PolarHBondContact O-N 2.86Å; L26-I30 HydrophobicContact CD1-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 4.16Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 3.47Å; L26-I30 VanDerWaalsContact O-N 3.14Å
27P85.3Confident84.5Confident65 Ų6566.7 Ų66.742%0.42237%0.367SS..Hα-helixtrans-63.2-35.4-179.2-21.937000111.8G23 L31G23-P27 WeakPolarHBondContact O-CD 3.34Å; G23-P27 VanDerWaalsContact O-CG 3.25Å; G23-P27 WeakPolarHBondContact O-CG 3.32Å; P27-L31 VanDerWaalsContact O-CB 3.23Å; P27-L31 WeakPolarHBondContact O-CB 3.3Å; P27-L31 PolarHBondContact O-N 3.24Å
28F87.2Confident84.5Confident18 Ų1867.1 Ų67.18%0.07937%0.369CS..Hα-helixtrans-74.3-38179.7-70.8-83.7000112.6Y24 V25 L26 I30 L31 Y32 I59 V62 Q63 V66Y24-F28 WeakPolarHBondContact O-CD2 3.37Å; V25-F28 PolarHBondContact O-N 3.4Å; L26-F28 VanDerWaalsContact C-N 3.26Å; L26-F28 PolarHBondContact O-N 3.37Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.37Å; F28-L31 CarbonylContact O-C 3.59Å; F28-L31 PolarHBondContact O-N 3.07Å; F28-L31 VanDerWaalsContact O-N 3.13Å; F28-Y32 HydrophobicContact CB-CD2 4.35Å; F28-Y32 HydrophobicContact CB-CE2 4.21Å; F28-Y32 WeakPolarHBondContact O-CB 3.38Å; F28-Y32 WeakPolarHBondContact O-CD2 3.17Å; F28-Y32 PolarHBondContact O-N 3.11Å; F28-I59 HydrophobicContact CD1-CG2 3.97Å; F28-V62 HydrophobicContact CE1-CB 4.1Å; F28-V62 HydrophobicContact CE1-CG1 3.84Å; F28-V62 HydrophobicContact CZ-CG1 3.92Å; F28-Q63 HydrophobicContact CB-CG 4.35Å; F28-Q63 HydrophobicContact CD1-CB 3.61Å; F28-Q63 HydrophobicContact CD1-CG 4Å; F28-Q63 HydrophobicContact CD2-CB 4.4Å; F28-Q63 HydrophobicContact CD2-CG 4.03Å; F28-Q63 VanDerWaalsContact CE1-CA 3.42Å; F28-Q63 HydrophobicContact CE1-CB 3.63Å; F28-Q63 HydrophobicContact CE1-CG 4.3Å; F28-Q63 VanDerWaalsContact CE1-N 3.3Å; F28-Q63 HydrophobicContact CE2-CB 4.4Å; F28-Q63 HydrophobicContact CE2-CG 4.31Å; F28-Q63 HydrophobicContact CG-CB 4.01Å; F28-Q63 HydrophobicContact CG-CG 3.85Å; F28-Q63 VanDerWaalsContact CZ-CA 3.45Å; F28-Q63 HydrophobicContact CZ-CB 4.03Å; F28-Q63 HydrophobicContact CZ-CG 4.44Å; F28-V66 HydrophobicContact CE2-CB 4.16Å; F28-V66 HydrophobicContact CE2-CG1 4.25Å; F28-V66 HydrophobicContact CE2-CG2 4.19Å; F28-V66 HydrophobicContact CZ-CB 4.16Å; F28-V66 HydrophobicContact CZ-CG2 3.86Å
29V86.5Confident84.2Confident73 Ų7364.2 Ų64.244%0.44235%0.347SS..Hα-helixtrans-60.5-43.3173.5172.20000110.6V25 L26 L31 S33V25-V29 HydrophobicContact CG1-CG2 3.94Å; V25-V29 WeakPolarHBondContact O-CG2 3.36Å; V25-V29 PolarHBondContact O-N 2.97Å; L26-V29 PolarHBondContact O-N 2.86Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-S33 VanDerWaalsContact O-CB 3.3Å; V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.3Å; V29-S33 PolarHBondContact O-OG 2.99Å
30I87.8Confident84.3Confident95 Ų9562.9 Ų62.949%0.48734%0.339SS..Hα-helixtrans-61.8-45.8173.8-64.9167.2000109.7L26 F28 S33 V34L26-I30 HydrophobicContact CD1-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 4.16Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 3.47Å; L26-I30 VanDerWaalsContact O-N 3.14Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.37Å; I30-S33 PolarHBondContact O-N 3.43Å; I30-V34 HydrophobicContact CG2-CG2 4.14Å; I30-V34 WeakPolarHBondContact O-CB 3.28Å; I30-V34 VanDerWaalsContact O-CG2 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.05Å; I30-V34 PolarHBondContact O-N 3.11Å
31L86.9Confident84.3Confident88 Ų8863.4 Ų63.446%0.46134%0.343SS..Hα-helixtrans-67.6-40.4-175.9-157.8136.9000112.7P27 F28 V29 W35 I59P27-L31 VanDerWaalsContact O-CB 3.23Å; P27-L31 WeakPolarHBondContact O-CB 3.3Å; P27-L31 PolarHBondContact O-N 3.24Å; F28-L31 CarbonylContact O-C 3.59Å; F28-L31 PolarHBondContact O-N 3.07Å; F28-L31 VanDerWaalsContact O-N 3.13Å; V29-L31 VanDerWaalsContact C-N 3.33Å; L31-W35 VanDerWaalsContact O-CB 3.26Å; L31-W35 WeakPolarHBondContact O-CB 3.37Å; L31-W35 PolarHBondContact O-N 3.35Å; L31-I59 HydrophobicContact CD2-CB 4Å; L31-I59 HydrophobicContact CD2-CD1 3.4Å; L31-I59 VanDerWaalsContact CD2-CD1 3.4Å; L31-I59 HydrophobicContact CD2-CG1 3.28Å; L31-I59 HydrophobicContact CD2-CG2 3.49Å; L31-I59 VanDerWaalsContact CD2-CG2 3.49Å
32Y89.1Confident83.9Confident51 Ų5163.9 Ų63.920%0.235%0.349CS..Hα-helixtrans-62.4-43.6169-75-63.4000111.4F28 W35 I36 V56 I59 G60 Q63F28-Y32 HydrophobicContact CB-CD2 4.35Å; F28-Y32 HydrophobicContact CB-CE2 4.21Å; F28-Y32 WeakPolarHBondContact O-CB 3.38Å; F28-Y32 WeakPolarHBondContact O-CD2 3.17Å; F28-Y32 PolarHBondContact O-N 3.11Å; Y32-W35 PolarHBondContact O-N 3.36Å; Y32-I36 VanDerWaalsContact O-CB 3.25Å; Y32-I36 WeakPolarHBondContact O-CB 3.39Å; Y32-I36 WeakPolarHBondContact O-CD1 3.49Å; Y32-I36 WeakPolarHBondContact O-CG1 3.28Å; Y32-I36 PolarHBondContact O-N 3.32Å; Y32-V56 HydrophobicContact CD1-CG1 4.49Å; Y32-V56 HydrophobicContact CE1-CG1 4.08Å; Y32-I59 HydrophobicContact CD1-CB 4.31Å; Y32-I59 HydrophobicContact CD1-CD1 4.41Å; Y32-I59 HydrophobicContact CD1-CG2 3.83Å; Y32-I59 HydrophobicContact CD2-CG2 4.23Å; Y32-I59 HydrophobicContact CE1-CB 3.8Å; Y32-I59 HydrophobicContact CE1-CG2 3.47Å; Y32-I59 VanDerWaalsContact CE1-CG2 3.47Å; Y32-I59 HydrophobicContact CE2-CG2 3.9Å; Y32-I59 HydrophobicContact CG-CG2 4.19Å; Y32-G60 WeakPolarHBondContact OH-CA 3.39Å; Y32-G60 PolarHBondContact OH-N 3.44Å; Y32-Q63 PolarHBondContact OH-OE1 2.83Å; Y32-Q63 VanDerWaalsContact OH-OE1 3.12Å
33S87.2Confident83.2Confident72 Ų7264.5 Ų64.550%0.50335%0.352SS..Hα-helixtrans-66.5-43-178.7-58.30000112.1V29 I30 G37V29-S33 VanDerWaalsContact O-CB 3.3Å; V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.3Å; V29-S33 PolarHBondContact O-OG 2.99Å; I30-S33 PolarHBondContact O-N 3.43Å; S33-G37 PolarHBondContact O-N 3.49Å
34V87.5Confident82.8Confident99 Ų9965 Ų6560%0.636%0.358SS*.Hα-helixtrans-64-44.2175.8170.30000110.3I30 Y38I30-V34 HydrophobicContact CG2-CG2 4.14Å; I30-V34 WeakPolarHBondContact O-CB 3.28Å; I30-V34 VanDerWaalsContact O-CG2 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.05Å; I30-V34 PolarHBondContact O-N 3.11Å; V34-Y38 WeakPolarHBondContact O-CB 3.39Å; V34-Y38 PolarHBondContact O-N 3.47Å
35W84.8Confident82.1Confident39 Ų3968.1 Ų68.115%0.14837%0.373CS..Hα-helixtrans-68.5-48179.7-179-109.7000112.8L31 Y32 G37 Y38 W39 L43 F51 G52 V55 I59L31-W35 VanDerWaalsContact O-CB 3.26Å; L31-W35 WeakPolarHBondContact O-CB 3.37Å; L31-W35 PolarHBondContact O-N 3.35Å; Y32-W35 PolarHBondContact O-N 3.36Å; W35-G37 VanDerWaalsContact C-N 3.28Å; W35-G37 PolarHBondContact O-N 2.93Å; W35-Y38 HydrophobicContact CE3-CD1 4.05Å; W35-Y38 HydrophobicContact CH2-CD1 4.15Å; W35-Y38 HydrophobicContact CH2-CE1 4.37Å; W35-Y38 AromaticContact CZ3-CD1 3.63Å; W35-Y38 HydrophobicContact CZ3-CD1 3.63Å; W35-Y38 HydrophobicContact CZ3-CE1 4.05Å; W35-Y38 PolarHBondContact O-N 3.41Å; W35-W39 WeakPolarHBondContact O-CB 3.33Å; W35-W39 PolarHBondContact O-N 3.15Å; W35-L43 HydrophobicContact CH2-CD1 4.27Å; W35-F51 HydrophobicContact CH2-CD1 4.26Å; W35-F51 AromaticContact CH2-CE1 3.59Å; W35-F51 HydrophobicContact CH2-CE1 3.59Å; W35-F51 HydrophobicContact CH2-CZ 4.15Å; W35-F51 HydrophobicContact CZ2-CD1 4.27Å; W35-F51 HydrophobicContact CZ2-CE1 4.03Å; W35-G52 PolarHBondContact NE1-O 3.42Å; W35-V55 HydrophobicContact CD2-CB 4.12Å; W35-V55 HydrophobicContact CD2-CG1 3.47Å; W35-V55 VanDerWaalsContact CD2-CG1 3.47Å; W35-V55 HydrophobicContact CE3-CG1 3.93Å; W35-V55 HydrophobicContact CG-CG1 3.95Å; W35-V55 HydrophobicContact CH2-CB 4.06Å; W35-V55 HydrophobicContact CH2-CG1 3.98Å; W35-V55 HydrophobicContact CH2-CG2 3.79Å; W35-V55 HydrophobicContact CZ2-CB 3.33Å; W35-V55 HydrophobicContact CZ2-CG1 3.56Å; W35-V55 HydrophobicContact CZ2-CG2 3.42Å; W35-V55 VanDerWaalsContact CZ2-CG2 3.42Å; W35-V55 HydrophobicContact CZ3-CG1 4.15Å; W35-I59 HydrophobicContact CB-CD1 3.94Å; W35-I59 HydrophobicContact CG-CD1 4.02Å
36I84.1Confident81.4Confident79 Ų7975.4 Ų75.441%0.40541%0.405SS..Hα-helixtrans-60.8-42.4176.7-68.9166.4000109.5Y32 Y38 W39 T40Y32-I36 VanDerWaalsContact O-CB 3.25Å; Y32-I36 WeakPolarHBondContact O-CB 3.39Å; Y32-I36 WeakPolarHBondContact O-CD1 3.49Å; Y32-I36 WeakPolarHBondContact O-CG1 3.28Å; Y32-I36 PolarHBondContact O-N 3.32Å; I36-Y38 PolarHBondContact O-N 3.05Å; I36-W39 PolarHBondContact O-N 3.35Å; I36-T40 HydrophobicContact CG2-CG2 4.22Å; I36-T40 WeakPolarHBondContact O-CG2 3.42Å; I36-T40 PolarHBondContact O-N 3.34Å; I36-T40 PolarHBondContact O-OG1 2.94Å; I36-T40 VanDerWaalsContact O-OG1 3.08Å
37G84.2Confident80.6Confident23 Ų2379.1 Ų79.124%0.23742%0.42CS..Hα-helixtrans-62-40.4175.100000113.2S33 W35 T40 N41S33-G37 PolarHBondContact O-N 3.49Å; W35-G37 VanDerWaalsContact C-N 3.28Å; W35-G37 PolarHBondContact O-N 2.93Å; G37-T40 PolarHBondContact O-OG1 2.97Å; G37-N41 WeakPolarHBondContact O-CB 3.48Å; G37-N41 VanDerWaalsContact O-CG 3.25Å; G37-N41 PolarHBondContact O-N 2.84Å; G37-N41 PolarHBondContact O-ND2 3.4Å
38Y83.4Confident79.8Confident110 Ų11081.7 Ų81.743%0.43142%0.422SS..Hα-helixtrans-66-42.2173.7-178.6-105.6000111.7V34 W35 I36 V42 L43V34-Y38 WeakPolarHBondContact O-CB 3.39Å; V34-Y38 PolarHBondContact O-N 3.47Å; W35-Y38 HydrophobicContact CE3-CD1 4.05Å; W35-Y38 HydrophobicContact CH2-CD1 4.15Å; W35-Y38 HydrophobicContact CH2-CE1 4.37Å; W35-Y38 AromaticContact CZ3-CD1 3.63Å; W35-Y38 HydrophobicContact CZ3-CD1 3.63Å; W35-Y38 HydrophobicContact CZ3-CE1 4.05Å; W35-Y38 PolarHBondContact O-N 3.41Å; I36-Y38 PolarHBondContact O-N 3.05Å; Y38-V42 HydrophobicContact CD2-CB 3.84Å; Y38-V42 HydrophobicContact CD2-CG1 4.31Å; Y38-V42 HydrophobicContact CD2-CG2 3.7Å; Y38-V42 HydrophobicContact CE2-CB 3.73Å; Y38-V42 HydrophobicContact CE2-CG1 3.68Å; Y38-V42 HydrophobicContact CE2-CG2 3.88Å; Y38-V42 HydrophobicContact CG-CB 4.5Å; Y38-V42 WeakPolarHBondContact O-CA 3.42Å; Y38-V42 WeakPolarHBondContact O-CB 3.22Å; Y38-V42 PolarHBondContact O-N 3.02Å; Y38-L43 HydrophobicContact CD1-CD1 3.67Å; Y38-L43 HydrophobicContact CD1-CG 4.49Å; Y38-L43 HydrophobicContact CE1-CD1 3.44Å; Y38-L43 VanDerWaalsContact CE1-CD1 3.44Å; Y38-L43 HydrophobicContact CE1-CG 4.03Å; Y38-L43 PolarHBondContact O-N 2.94Å
39W79.6Confident79.2Confident22 Ų2285.6 Ų85.68%0.08344%0.442CS..Iπ-helixtrans-63.2-45177.6-177.624.5000111.9W35 I36 G44 F45 Y48 L53W35-W39 WeakPolarHBondContact O-CB 3.33Å; W35-W39 PolarHBondContact O-N 3.15Å; I36-W39 PolarHBondContact O-N 3.35Å; W39-G44 PolarHBondContact O-N 3.36Å; W39-F45 HydrophobicContact CH2-CD2 4.18Å; W39-F45 AromaticContact CH2-CE2 3.8Å; W39-F45 HydrophobicContact CH2-CE2 3.8Å; W39-F45 AromaticContact CZ2-CD2 3.87Å; W39-F45 HydrophobicContact CZ2-CD2 3.87Å; W39-F45 AromaticContact CZ2-CE2 3.86Å; W39-F45 HydrophobicContact CZ2-CE2 3.86Å; W39-F45 HydrophobicContact CZ3-CE2 4.48Å; W39-Y48 PolarHBondContact NE1-O 3.12Å; W39-L53 HydrophobicContact CH2-CD2 4.2Å; W39-L53 HydrophobicContact CH2-CG 4.33Å
40T79.3Confident78.5Confident72 Ų7289 Ų8944%0.44245%0.453SS..Iπ-helixtrans-73.7-39.5-179.757.60000113.1I36 G37I36-T40 HydrophobicContact CG2-CG2 4.22Å; I36-T40 WeakPolarHBondContact O-CG2 3.42Å; I36-T40 PolarHBondContact O-N 3.34Å; I36-T40 PolarHBondContact O-OG1 2.94Å; I36-T40 VanDerWaalsContact O-OG1 3.08Å; G37-T40 PolarHBondContact O-OG1 2.97Å
41N79.7Confident77.8Confident138 Ų13889.2 Ų89.274%0.73845%0.451SS*.Iπ-helixtrans-94-29.1-170.3-62.9-25.7000114.1G37G37-N41 WeakPolarHBondContact O-CB 3.48Å; G37-N41 VanDerWaalsContact O-CG 3.25Å; G37-N41 PolarHBondContact O-N 2.84Å; G37-N41 PolarHBondContact O-ND2 3.4Å
42V74.8Confident77.3Confident98 Ų9885 Ų8559%0.59443%0.429SS*.Iπ-helixtrans-113-45.4-171.9-174.20000112.3Y38Y38-V42 HydrophobicContact CD2-CB 3.84Å; Y38-V42 HydrophobicContact CD2-CG1 4.31Å; Y38-V42 HydrophobicContact CD2-CG2 3.7Å; Y38-V42 HydrophobicContact CE2-CB 3.73Å; Y38-V42 HydrophobicContact CE2-CG1 3.68Å; Y38-V42 HydrophobicContact CE2-CG2 3.88Å; Y38-V42 HydrophobicContact CG-CB 4.5Å; Y38-V42 WeakPolarHBondContact O-CA 3.42Å; Y38-V42 WeakPolarHBondContact O-CB 3.22Å; Y38-V42 PolarHBondContact O-N 3.02Å
43L68.6Low76.9Confident26 Ų2687 Ų8714%0.13644%0.443CS..Iπ-helixtrans-84.6-30.5-178.5-82153.7000113.2W35 Y38 Y48 F51W35-L43 HydrophobicContact CH2-CD1 4.27Å; Y38-L43 HydrophobicContact CD1-CD1 3.67Å; Y38-L43 HydrophobicContact CD1-CG 4.49Å; Y38-L43 HydrophobicContact CE1-CD1 3.44Å; Y38-L43 VanDerWaalsContact CE1-CD1 3.44Å; Y38-L43 HydrophobicContact CE1-CG 4.03Å; Y38-L43 PolarHBondContact O-N 2.94Å; L43-Y48 HydrophobicContact CB-CD2 4.34Å; L43-Y48 HydrophobicContact CD2-CD1 4.47Å; L43-Y48 HydrophobicContact CD2-CD2 3.65Å; L43-Y48 HydrophobicContact CD2-CE2 4.21Å; L43-Y48 HydrophobicContact CD2-CG 3.8Å; L43-Y48 WeakPolarHBondContact O-CD2 3.46Å; L43-F51 HydrophobicContact CD1-CD1 4.14Å; L43-F51 HydrophobicContact CD1-CE1 4.2Å; L43-F51 HydrophobicContact CD2-CD1 4.41Å
44G72.1Confident76.5Confident26 Ų2687 Ų8727%0.26844%0.436SS..  trans78.4130.8-174.600000112.7W39 Q46 E47W39-G44 PolarHBondContact O-N 3.36Å; G44-Q46 VanDerWaalsContact C-N 3.31Å; G44-Q46 PolarHBondContact O-N 3.01Å; G44-E47 PolarHBondContact O-N 3.47Å
45F67.3Low76.1Confident126 Ų12683.9 Ų83.955%0.55342%0.417SS*.THydrogen-bonded Turntrans-63.3-33.2-173.3-172.5-99000113.7W39W39-F45 HydrophobicContact CH2-CD2 4.18Å; W39-F45 AromaticContact CH2-CE2 3.8Å; W39-F45 HydrophobicContact CH2-CE2 3.8Å; W39-F45 AromaticContact CZ2-CD2 3.87Å; W39-F45 HydrophobicContact CZ2-CD2 3.87Å; W39-F45 AromaticContact CZ2-CE2 3.86Å; W39-F45 HydrophobicContact CZ2-CE2 3.86Å; W39-F45 HydrophobicContact CZ3-CE2 4.48Å
46Q70.1Confident76.1Confident186 Ų18684 Ų8487%0.86942%0.422SS*.THydrogen-bonded Turntrans-84.4-30.5-176.5-73.3-177.5-16.800113.8G44G44-Q46 VanDerWaalsContact C-N 3.31Å; G44-Q46 PolarHBondContact O-N 3.01Å
47E66.6Low76.1Confident155 Ų15583.3 Ų83.372%0.72443%0.428SS*.THydrogen-bonded Turntrans-81.6-36.8-172.5-68.7-174.3177.300113G44G44-E47 PolarHBondContact O-N 3.47Å
48Y68.5Low75.9Confident119 Ų11984.7 Ų84.747%0.46744%0.437SS..SBendtrans-129.849-174.4-61.6-84.2000112.6W39 L43 E50 G52W39-Y48 PolarHBondContact NE1-O 3.12Å; L43-Y48 HydrophobicContact CB-CD2 4.34Å; L43-Y48 HydrophobicContact CD2-CD1 4.47Å; L43-Y48 HydrophobicContact CD2-CD2 3.65Å; L43-Y48 HydrophobicContact CD2-CE2 4.21Å; L43-Y48 HydrophobicContact CD2-CG 3.8Å; L43-Y48 WeakPolarHBondContact O-CD2 3.46Å; Y48-E50 PolarHBondContact O-N 3.46Å; Y48-G52 PolarHBondContact O-N 3.45Å; Y48-G52 VanDerWaalsContact O-N 3.09Å
49M74.7Confident76.1Confident100 Ų10080 Ų8049%0.49342%0.42SS..Hα-helixtrans-58.5-46.4-179.2-172.5-177.87100112.3G52 L53M49-G52 PolarHBondContact O-N 3.47Å; M49-L53 HydrophobicContact CG-CD1 4.15Å; M49-L53 WeakPolarHBondContact O-CG 3.32Å; M49-L53 PolarHBondContact O-N 3.12Å; M49-L53 VanDerWaalsContact O-N 3.12Å
50E71.3Confident76.5Confident144 Ų14479.6 Ų79.667%0.67342%0.422SS*.Hα-helixtrans-63.7-46.3-177.7-63.1-178.5171.900112.1Y48 G52 L53 I54Y48-E50 PolarHBondContact O-N 3.46Å; E50-G52 PolarHBondContact O-N 2.91Å; E50-L53 PolarHBondContact O-N 2.91Å; E50-I54 WeakPolarHBondContact O-CD1 3.22Å; E50-I54 VanDerWaalsContact O-CG1 3.27Å; E50-I54 WeakPolarHBondContact O-CG1 3.3Å; E50-I54 PolarHBondContact O-N 3.37Å
51F73.3Confident76.7Confident101 Ų10179.5 Ų79.544%0.44342%0.416SS..Hα-helixtrans-63.9-41.8179.4-177.7-111.4000111.9W35 L43 L53 I54 V55W35-F51 HydrophobicContact CH2-CD1 4.26Å; W35-F51 AromaticContact CH2-CE1 3.59Å; W35-F51 HydrophobicContact CH2-CE1 3.59Å; W35-F51 HydrophobicContact CH2-CZ 4.15Å; W35-F51 HydrophobicContact CZ2-CD1 4.27Å; W35-F51 HydrophobicContact CZ2-CE1 4.03Å; L43-F51 HydrophobicContact CD1-CD1 4.14Å; L43-F51 HydrophobicContact CD1-CE1 4.2Å; L43-F51 HydrophobicContact CD2-CD1 4.41Å; F51-L53 VanDerWaalsContact C-N 3.34Å; F51-L53 PolarHBondContact O-N 3.48Å; F51-I54 PolarHBondContact O-N 3.09Å; F51-V55 HydrophobicContact CE2-CG2 4.24Å; F51-V55 HydrophobicContact CZ-CG2 4.21Å; F51-V55 PolarHBondContact O-N 3.29Å
52G78Confident77Confident0 Ų076.4 Ų76.40%040%0.402CS..Hα-helixtrans-57.3-45.9174.600000112.4W35 Y48 M49 E50 V56W35-G52 PolarHBondContact NE1-O 3.42Å; Y48-G52 PolarHBondContact O-N 3.45Å; Y48-G52 VanDerWaalsContact O-N 3.09Å; M49-G52 PolarHBondContact O-N 3.47Å; E50-G52 PolarHBondContact O-N 2.91Å; G52-V56 WeakPolarHBondContact O-CG2 3.29Å; G52-V56 PolarHBondContact O-N 3.5Å
53L80.1Confident77.6Confident93 Ų9374.5 Ų74.549%0.48739%0.386SS..Hα-helixtrans-67.1-40.9179.5-71.1172.2000113.2W39 M49 E50 F51 V55 V56 A57W39-L53 HydrophobicContact CH2-CD2 4.2Å; W39-L53 HydrophobicContact CH2-CG 4.33Å; M49-L53 HydrophobicContact CG-CD1 4.15Å; M49-L53 WeakPolarHBondContact O-CG 3.32Å; M49-L53 PolarHBondContact O-N 3.12Å; M49-L53 VanDerWaalsContact O-N 3.12Å; E50-L53 PolarHBondContact O-N 2.91Å; F51-L53 VanDerWaalsContact C-N 3.34Å; F51-L53 PolarHBondContact O-N 3.48Å; L53-V55 VanDerWaalsContact C-N 3.35Å; L53-V55 PolarHBondContact O-N 2.9Å; L53-V56 PolarHBondContact O-N 3.4Å; L53-A57 PolarHBondContact O-N 3Å
54I77.6Confident78.5Confident71 Ų7178 Ų7836%0.36440%0.404SS..Hα-helixtrans-61.5-44.5179.2-69.5161.7000110.9E50 F51 A57 A58 Y426E50-I54 WeakPolarHBondContact O-CD1 3.22Å; E50-I54 VanDerWaalsContact O-CG1 3.27Å; E50-I54 WeakPolarHBondContact O-CG1 3.3Å; E50-I54 PolarHBondContact O-N 3.37Å; F51-I54 PolarHBondContact O-N 3.09Å; I54-A57 WeakPolarHBondContact O-CB 3.46Å; I54-A57 PolarHBondContact O-N 2.89Å; I54-A58 PolarHBondContact O-N 3.45Å; I54-Y426 HydrophobicContact CD1-CD2 3.63Å; I54-Y426 HydrophobicContact CD1-CE2 3.55Å; I54-Y426 HydrophobicContact CG1-CE2 4.16Å
55V81Confident79.1Confident34 Ų3479.7 Ų79.721%0.20641%0.406CS..Hα-helixtrans-68.6-38.3179.61770000110.7W35 F51 L53 A57 A58 I59W35-V55 HydrophobicContact CD2-CB 4.12Å; W35-V55 HydrophobicContact CD2-CG1 3.47Å; W35-V55 VanDerWaalsContact CD2-CG1 3.47Å; W35-V55 HydrophobicContact CE3-CG1 3.93Å; W35-V55 HydrophobicContact CG-CG1 3.95Å; W35-V55 HydrophobicContact CH2-CB 4.06Å; W35-V55 HydrophobicContact CH2-CG1 3.98Å; W35-V55 HydrophobicContact CH2-CG2 3.79Å; W35-V55 HydrophobicContact CZ2-CB 3.33Å; W35-V55 HydrophobicContact CZ2-CG1 3.56Å; W35-V55 HydrophobicContact CZ2-CG2 3.42Å; W35-V55 VanDerWaalsContact CZ2-CG2 3.42Å; W35-V55 HydrophobicContact CZ3-CG1 4.15Å; F51-V55 HydrophobicContact CE2-CG2 4.24Å; F51-V55 HydrophobicContact CZ-CG2 4.21Å; F51-V55 PolarHBondContact O-N 3.29Å; L53-V55 VanDerWaalsContact C-N 3.35Å; L53-V55 PolarHBondContact O-N 2.9Å; V55-A57 VanDerWaalsContact C-N 3.31Å; V55-A57 PolarHBondContact O-N 3.49Å; V55-A58 PolarHBondContact O-N 2.98Å; V55-I59 HydrophobicContact CG1-CD1 3.94Å; V55-I59 HydrophobicContact CG1-CG1 4.36Å; V55-I59 WeakPolarHBondContact O-CD1 3.46Å; V55-I59 WeakPolarHBondContact O-CG1 3.39Å; V55-I59 PolarHBondContact O-N 3.28Å
56V84.8Confident80Confident41 Ų4174.9 Ų74.925%0.24839%0.387CS..Hα-helixtrans-58.2-43.9171.2171.50000111.2Y32 G52 L53 I59 G60Y32-V56 HydrophobicContact CD1-CG1 4.49Å; Y32-V56 HydrophobicContact CE1-CG1 4.08Å; G52-V56 WeakPolarHBondContact O-CG2 3.29Å; G52-V56 PolarHBondContact O-N 3.5Å; L53-V56 PolarHBondContact O-N 3.4Å; V56-I59 PolarHBondContact O-N 2.95Å; V56-G60 PolarHBondContact O-N 3.37Å
57A82.3Confident80.8Confident65 Ų6569.1 Ų69.154%0.53737%0.367SS..Hα-helixtrans-64-40.5176.400000112.3L53 I54 V55 G60 F61L53-A57 PolarHBondContact O-N 3Å; I54-A57 WeakPolarHBondContact O-CB 3.46Å; I54-A57 PolarHBondContact O-N 2.89Å; V55-A57 VanDerWaalsContact C-N 3.31Å; V55-A57 PolarHBondContact O-N 3.49Å; A57-G60 PolarHBondContact O-N 3.01Å; A57-F61 PolarHBondContact O-N 3.42Å
58A81.9Confident81.6Confident51 Ų5163 Ų6342%0.42134%0.339SS..Hα-helixtrans-63.2-42.517600000111.8I54 V55 G60 F61 V62I54-A58 PolarHBondContact O-N 3.45Å; V55-A58 PolarHBondContact O-N 2.98Å; A58-G60 VanDerWaalsContact C-N 3.32Å; A58-G60 PolarHBondContact O-N 3.32Å; A58-F61 PolarHBondContact O-N 3.47Å; A58-V62 WeakPolarHBondContact O-CG2 3.16Å; A58-V62 PolarHBondContact O-N 2.95Å
59I87Confident82.3Confident13 Ų1358.6 Ų58.67%0.06733%0.325CS..Hα-helixtrans-61-44.3174.3-62.7164.5000110.2F28 L31 Y32 W35 V55 V56 F61 V62 Q63F28-I59 HydrophobicContact CD1-CG2 3.97Å; L31-I59 HydrophobicContact CD2-CB 4Å; L31-I59 HydrophobicContact CD2-CD1 3.4Å; L31-I59 VanDerWaalsContact CD2-CD1 3.4Å; L31-I59 HydrophobicContact CD2-CG1 3.28Å; L31-I59 HydrophobicContact CD2-CG2 3.49Å; L31-I59 VanDerWaalsContact CD2-CG2 3.49Å; Y32-I59 HydrophobicContact CD1-CB 4.31Å; Y32-I59 HydrophobicContact CD1-CD1 4.41Å; Y32-I59 HydrophobicContact CD1-CG2 3.83Å; Y32-I59 HydrophobicContact CD2-CG2 4.23Å; Y32-I59 HydrophobicContact CE1-CB 3.8Å; Y32-I59 HydrophobicContact CE1-CG2 3.47Å; Y32-I59 VanDerWaalsContact CE1-CG2 3.47Å; Y32-I59 HydrophobicContact CE2-CG2 3.9Å; Y32-I59 HydrophobicContact CG-CG2 4.19Å; W35-I59 HydrophobicContact CB-CD1 3.94Å; W35-I59 HydrophobicContact CG-CD1 4.02Å; V55-I59 HydrophobicContact CG1-CD1 3.94Å; V55-I59 HydrophobicContact CG1-CG1 4.36Å; V55-I59 WeakPolarHBondContact O-CD1 3.46Å; V55-I59 WeakPolarHBondContact O-CG1 3.39Å; V55-I59 PolarHBondContact O-N 3.28Å; V56-I59 PolarHBondContact O-N 2.95Å; I59-F61 VanDerWaalsContact C-N 3.35Å; I59-F61 PolarHBondContact O-N 3.39Å; I59-V62 PolarHBondContact O-N 2.9Å; I59-Q63 WeakPolarHBondContact O-CB 3.29Å; I59-Q63 PolarHBondContact O-N 3.38Å
60G86.9Confident82.7Confident13 Ų1354.4 Ų54.413%0.13431%0.306CS..Hα-helixtrans-60.7-41.5175.200000113.1Y32 V56 A57 A58 Q63 I64Y32-G60 WeakPolarHBondContact OH-CA 3.39Å; Y32-G60 PolarHBondContact OH-N 3.44Å; V56-G60 PolarHBondContact O-N 3.37Å; A57-G60 PolarHBondContact O-N 3.01Å; A58-G60 VanDerWaalsContact C-N 3.32Å; A58-G60 PolarHBondContact O-N 3.32Å; G60-Q63 WeakPolarHBondContact O-CB 3.42Å; G60-Q63 PolarHBondContact O-N 3.44Å; G60-I64 VanDerWaalsContact O-CG1 3.3Å; G60-I64 WeakPolarHBondContact O-CG1 3.34Å; G60-I64 PolarHBondContact O-N 2.92Å
61F84Confident83.1Confident70 Ų7052.4 Ų52.431%0.30730%0.296SS..Hα-helixtrans-64.2-45.2176-177.3-109000112.3A57 A58 I59 Q63 I64 I65 F203A57-F61 PolarHBondContact O-N 3.42Å; A58-F61 PolarHBondContact O-N 3.47Å; I59-F61 VanDerWaalsContact C-N 3.35Å; I59-F61 PolarHBondContact O-N 3.39Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 3.36Å; F61-I64 PolarHBondContact O-N 3.17Å; F61-I65 HydrophobicContact CD1-CD1 3.75Å; F61-I65 HydrophobicContact CE1-CD1 3.24Å; F61-I65 HydrophobicContact CE1-CG1 4.23Å; F61-I65 HydrophobicContact CE2-CD1 4.32Å; F61-I65 HydrophobicContact CG-CD1 4.49Å; F61-I65 HydrophobicContact CZ-CD1 3.57Å; F61-I65 HydrophobicContact CZ-CG1 4.22Å; F61-I65 PolarHBondContact O-N 3.16Å; F61-F203 AromaticContact CD2-CD2 3.95Å; F61-F203 HydrophobicContact CD2-CD2 3.95Å; F61-F203 AromaticContact CD2-CE2 3.9Å; F61-F203 HydrophobicContact CD2-CE2 3.9Å; F61-F203 HydrophobicContact CE1-CE2 4.14Å; F61-F203 HydrophobicContact CE1-CZ 4.12Å; F61-F203 HydrophobicContact CE2-CB 4.39Å; F61-F203 HydrophobicContact CE2-CD1 4.45Å; F61-F203 AromaticContact CE2-CD2 3.22Å; F61-F203 HydrophobicContact CE2-CD2 3.22Å; F61-F203 AromaticContact CE2-CE2 3.44Å; F61-F203 HydrophobicContact CE2-CE2 3.44Å; F61-F203 VanDerWaalsContact CE2-CE2 3.44Å; F61-F203 AromaticContact CE2-CG 3.77Å; F61-F203 HydrophobicContact CE2-CG 3.77Å; F61-F203 HydrophobicContact CE2-CZ 4.15Å; F61-F203 HydrophobicContact CG-CE2 4.44Å; F61-F203 HydrophobicContact CZ-CD1 4.07Å; F61-F203 AromaticContact CZ-CD2 3.61Å; F61-F203 HydrophobicContact CZ-CD2 3.61Å; F61-F203 HydrophobicContact CZ-CE1 4.02Å; F61-F203 AromaticContact CZ-CE2 3.55Å; F61-F203 HydrophobicContact CZ-CE2 3.55Å; F61-F203 AromaticContact CZ-CG 3.86Å; F61-F203 HydrophobicContact CZ-CG 3.86Å; F61-F203 AromaticContact CZ-CZ 3.77Å; F61-F203 HydrophobicContact CZ-CZ 3.77Å
62V85.8Confident83.4Confident73 Ų7351.2 Ų51.244%0.44229%0.288SS..Hα-helixtrans-61.3-38.3174.9177.40000110.6F28 A58 I59 I65 V66F28-V62 HydrophobicContact CE1-CB 4.1Å; F28-V62 HydrophobicContact CE1-CG1 3.84Å; F28-V62 HydrophobicContact CZ-CG1 3.92Å; A58-V62 WeakPolarHBondContact O-CG2 3.16Å; A58-V62 PolarHBondContact O-N 2.95Å; I59-V62 PolarHBondContact O-N 2.9Å; V62-I65 PolarHBondContact O-N 3.42Å; V62-V66 WeakPolarHBondContact O-CG2 3.37Å; V62-V66 PolarHBondContact O-N 3.12Å
63Q88.5Confident83.5Confident57 Ų5757.1 Ų57.127%0.26631%0.314SS..Hα-helixtrans-61.9-44.7174.6-169.4-175.69.400112.1Y24 F28 Y32 I59 G60 F61 V66 C67Y24-Q63 PolarHBondContact O-NE2 2.89Å; F28-Q63 HydrophobicContact CB-CG 4.35Å; F28-Q63 HydrophobicContact CD1-CB 3.61Å; F28-Q63 HydrophobicContact CD1-CG 4Å; F28-Q63 HydrophobicContact CD2-CB 4.4Å; F28-Q63 HydrophobicContact CD2-CG 4.03Å; F28-Q63 VanDerWaalsContact CE1-CA 3.42Å; F28-Q63 HydrophobicContact CE1-CB 3.63Å; F28-Q63 HydrophobicContact CE1-CG 4.3Å; F28-Q63 VanDerWaalsContact CE1-N 3.3Å; F28-Q63 HydrophobicContact CE2-CB 4.4Å; F28-Q63 HydrophobicContact CE2-CG 4.31Å; F28-Q63 HydrophobicContact CG-CB 4.01Å; F28-Q63 HydrophobicContact CG-CG 3.85Å; F28-Q63 VanDerWaalsContact CZ-CA 3.45Å; F28-Q63 HydrophobicContact CZ-CB 4.03Å; F28-Q63 HydrophobicContact CZ-CG 4.44Å; Y32-Q63 PolarHBondContact OH-OE1 2.83Å; Y32-Q63 VanDerWaalsContact OH-OE1 3.12Å; I59-Q63 WeakPolarHBondContact O-CB 3.29Å; I59-Q63 PolarHBondContact O-N 3.38Å; G60-Q63 WeakPolarHBondContact O-CB 3.42Å; G60-Q63 PolarHBondContact O-N 3.44Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 3.36Å; Q63-V66 PolarHBondContact O-N 2.98Å; Q63-C67 WeakPolarHBondContact O-CB 3.4Å; Q63-C67 PolarHBondContact O-N 3.36Å
64I86.7Confident83.4Confident99 Ų9954.7 Ų54.751%0.50830%0.303SS..Hα-helixtrans-61.1-46.2176.6-69.3164.4000110.2G60 F61 V66 C67 L68G60-I64 VanDerWaalsContact O-CG1 3.3Å; G60-I64 WeakPolarHBondContact O-CG1 3.34Å; G60-I64 PolarHBondContact O-N 2.92Å; F61-I64 PolarHBondContact O-N 3.17Å; I64-V66 PolarHBondContact O-N 3.26Å; I64-C67 WeakPolarHBondContact O-CB 2.9Å; I64-C67 PolarHBondContact O-N 2.93Å; I64-L68 HydrophobicContact CG2-CD1 3.87Å; I64-L68 HydrophobicContact CG2-CG 4.34Å; I64-L68 WeakPolarHBondContact O-CG 3.32Å; I64-L68 PolarHBondContact O-N 3.16Å
65I84.9Confident83.6Confident62 Ų6257.4 Ų57.432%0.31832%0.315SS..Hα-helixtrans-60-46.8177-71.1172.2000111F61 V62 C67 L68 C69F61-I65 HydrophobicContact CD1-CD1 3.75Å; F61-I65 HydrophobicContact CE1-CD1 3.24Å; F61-I65 HydrophobicContact CE1-CG1 4.23Å; F61-I65 HydrophobicContact CE2-CD1 4.32Å; F61-I65 HydrophobicContact CG-CD1 4.49Å; F61-I65 HydrophobicContact CZ-CD1 3.57Å; F61-I65 HydrophobicContact CZ-CG1 4.22Å; F61-I65 PolarHBondContact O-N 3.16Å; V62-I65 PolarHBondContact O-N 3.42Å; I65-C67 VanDerWaalsContact C-N 3.26Å; I65-C67 PolarHBondContact O-N 3.2Å; I65-L68 PolarHBondContact O-N 3.44Å; I65-L68 VanDerWaalsContact O-N 3.15Å; I65-C69 WeakPolarHBondContact O-CB 3.47Å; I65-C69 PolarHBondContact O-N 3.2Å; I65-C69 PolarHBondContact O-SG 3.2Å
66V85.8Confident83.6Confident25 Ų2558.8 Ų58.815%0.15232%0.318CS..Hα-helixtrans-61.7-37.7178.81730000111.1F28 V62 Q63 I64 C69 C70 F76 M80F28-V66 HydrophobicContact CE2-CB 4.16Å; F28-V66 HydrophobicContact CE2-CG1 4.25Å; F28-V66 HydrophobicContact CE2-CG2 4.19Å; F28-V66 HydrophobicContact CZ-CB 4.16Å; F28-V66 HydrophobicContact CZ-CG2 3.86Å; V62-V66 WeakPolarHBondContact O-CG2 3.37Å; V62-V66 PolarHBondContact O-N 3.12Å; Q63-V66 PolarHBondContact O-N 2.98Å; I64-V66 PolarHBondContact O-N 3.26Å; V66-C69 PolarHBondContact O-N 3.03Å; V66-C70 PolarHBondContact O-N 3.13Å; V66-C70 PolarHBondContact O-SG 3.19Å; V66-F76 HydrophobicContact CG1-CE1 4.09Å; V66-F76 HydrophobicContact CG1-CZ 4.22Å; V66-M80 HydrophobicContact CG1-CE 3.55Å
67C86.1Confident83.5Confident65 Ų6561.2 Ų61.244%0.43933%0.325SS..Hα-helixtrans-64.2-44.2174.2-170.40000111.8Q63 I64 I65 C70 H71Q63-C67 WeakPolarHBondContact O-CB 3.4Å; Q63-C67 PolarHBondContact O-N 3.36Å; I64-C67 WeakPolarHBondContact O-CB 2.9Å; I64-C67 PolarHBondContact O-N 2.93Å; I65-C67 VanDerWaalsContact C-N 3.26Å; I65-C67 PolarHBondContact O-N 3.2Å; C67-C70 VanDerWaalsContact O-CB 3.31Å; C67-C70 WeakPolarHBondContact O-CB 3.45Å; C67-C70 PolarHBondContact O-N 3.19Å; C67-H71 PolarHBondContact O-N 2.89Å
68L85.3Confident83.6Confident28 Ų2858.4 Ų58.415%0.14730%0.302CS..Hα-helixtrans-67.4-37.2177-70171.8000112.7I64 I65 C70 H71 W72 T194 V199I64-L68 HydrophobicContact CG2-CD1 3.87Å; I64-L68 HydrophobicContact CG2-CG 4.34Å; I64-L68 WeakPolarHBondContact O-CG 3.32Å; I64-L68 PolarHBondContact O-N 3.16Å; I65-L68 PolarHBondContact O-N 3.44Å; I65-L68 VanDerWaalsContact O-N 3.15Å; L68-C70 PolarHBondContact O-N 3.37Å; L68-H71 CarbonylContact O-C 3.32Å; L68-H71 WeakPolarHBondContact O-CA 3.36Å; L68-H71 VanDerWaalsContact O-CB 3.28Å; L68-H71 WeakPolarHBondContact O-CB 3.24Å; L68-H71 PolarHBondContact O-N 3.07Å; L68-W72 HydrophobicContact CB-CD2 4.49Å; L68-W72 HydrophobicContact CB-CH2 4.09Å; L68-W72 HydrophobicContact CB-CZ2 3.83Å; L68-W72 HydrophobicContact CD1-CZ2 4.26Å; L68-W72 PolarHBondContact O-N 2.94Å; L68-T194 HydrophobicContact CD2-CG2 4.41Å; L68-V199 HydrophobicContact CD1-CB 4.36Å; L68-V199 HydrophobicContact CD1-CG1 3.55Å; L68-V199 HydrophobicContact CD1-CG2 3.96Å
69C82.9Confident83.7Confident25 Ų2561.6 Ų61.617%0.16931%0.311CS..Hα-helixtrans-59.3-32.6172.2-75.20000112.1I65 V66 H71 W72 F73 F76I65-C69 WeakPolarHBondContact O-CB 3.47Å; I65-C69 PolarHBondContact O-N 3.2Å; I65-C69 PolarHBondContact O-SG 3.2Å; V66-C69 PolarHBondContact O-N 3.03Å; C69-H71 PolarHBondContact O-N 2.89Å; C69-W72 PolarHBondContact O-N 3.27Å; C69-F73 PolarHBondContact O-N 2.94Å; C69-F76 HydrophobicContact CB-CD1 3.64Å; C69-F76 HydrophobicContact CB-CE1 3.54Å; C69-F76 HydrophobicContact CB-CG 4.39Å; C69-F76 HydrophobicContact CB-CZ 4.25Å
70C82.5Confident83.5Confident13 Ų1362.6 Ų62.69%0.08832%0.315CS..Hα-helixtrans-68.3-23.3171.9-62.20000112.4V66 C67 L68 K77V66-C70 PolarHBondContact O-N 3.13Å; V66-C70 PolarHBondContact O-SG 3.19Å; C67-C70 VanDerWaalsContact O-CB 3.31Å; C67-C70 WeakPolarHBondContact O-CB 3.45Å; C67-C70 PolarHBondContact O-N 3.19Å; L68-C70 PolarHBondContact O-N 3.37Å; C70-K77 HydrophobicContact CB-CB 4.31Å; C70-K77 HydrophobicContact CB-CG 4.35Å; C70-K77 WeakPolarHBondContact O-CB 3.26Å; C70-K77 WeakPolarHBondContact O-CD 3.25Å
71H80.8Confident83.4Confident101 Ų10162.3 Ų62.347%0.46831%0.311SS..Hα-helixtrans-83-40.5173.2-172.766.3000111.7C67 L68 C69 T194C67-H71 PolarHBondContact O-N 2.89Å; L68-H71 CarbonylContact O-C 3.32Å; L68-H71 WeakPolarHBondContact O-CA 3.36Å; L68-H71 VanDerWaalsContact O-CB 3.28Å; L68-H71 WeakPolarHBondContact O-CB 3.24Å; L68-H71 PolarHBondContact O-N 3.07Å; C69-H71 PolarHBondContact O-N 2.89Å; H71-T194 PolarHBondContact CD2-OG1 3.44Å; H71-T194 PolarHBondContact NE2-OG1 3.21Å
72W78.4Confident83.4Confident76 Ų7659.1 Ų59.129%0.28830%0.298SS..Hα-helixtrans-71.1-41-178.9-59.3-25.8000113.6L68 C69 T194 P196 V199L68-W72 HydrophobicContact CB-CD2 4.49Å; L68-W72 HydrophobicContact CB-CH2 4.09Å; L68-W72 HydrophobicContact CB-CZ2 3.83Å; L68-W72 HydrophobicContact CD1-CZ2 4.26Å; L68-W72 PolarHBondContact O-N 2.94Å; C69-W72 PolarHBondContact O-N 3.27Å; W72-T194 PolarHBondContact NE1-O 3.26Å; W72-P196 HydrophobicContact CD2-CG 4Å; W72-P196 HydrophobicContact CE3-CG 4.44Å; W72-P196 HydrophobicContact CG-CG 4.38Å; W72-P196 HydrophobicContact CH2-CB 4.21Å; W72-P196 HydrophobicContact CH2-CG 4.45Å; W72-P196 HydrophobicContact CZ2-CB 4.03Å; W72-P196 HydrophobicContact CZ2-CG 4Å; W72-V199 HydrophobicContact CZ2-CG2 4.37Å
73F80.5Confident83.4Confident124 Ų12462.2 Ų62.254%0.54431%0.305SS..  trans-119.9111.5-173.8-58.8-72.5000110.6C69 E75 F76 K77C69-F73 PolarHBondContact O-N 2.94Å; F73-E75 PolarHBondContact O-N 2.88Å; F73-F76 HydrophobicContact CB-CB 3.65Å; F73-F76 WeakPolarHBondContact O-CB 3.35Å; F73-F76 PolarHBondContact O-N 2.87Å; F73-F76 VanDerWaalsContact O-N 3.14Å; F73-K77 PolarHBondContact O-N 3.36Å
74V78.9Confident83.2Confident43 Ų4365.8 Ų65.826%0.26132%0.32SS..Hα-helixtrans-60.9-34.9177.1-178.10000111.5K77 C78 I107V74-K77 WeakPolarHBondContact O-CB 2.95Å; V74-K77 PolarHBondContact O-N 2.96Å; V74-C78 PolarHBondContact O-N 3.42Å; V74-C78 PolarHBondContact O-SG 3.3Å; V74-C78 VanDerWaalsContact O-SG 3.41Å; V74-I107 HydrophobicContact CG1-CD1 3.77Å; V74-I107 HydrophobicContact CG1-CG1 3.6Å
75E80.7Confident83Confident128 Ų12863.5 Ų63.560%0.59831%0.307SS*.Hα-helixtrans-67.7-40.3176.9-53.9-159.8135.400112.2F73 C78 L79 K95F73-E75 PolarHBondContact O-N 2.88Å; E75-C78 PolarHBondContact O-N 2.98Å; E75-L79 PolarHBondContact O-N 3Å; E75-K95 IonicContact OE1-NZ 2.69Å; E75-K95 PolarHBondContact OE1-NZ 2.95Å
76F81.7Confident82.7Confident63 Ų6365.8 Ų65.828%0.27633%0.328SS..Hα-helixtrans-65.7-40.6174.7-169.1-99.8000111.2V66 C69 F73 L79 M80V66-F76 HydrophobicContact CG1-CE1 4.09Å; V66-F76 HydrophobicContact CG1-CZ 4.22Å; C69-F76 HydrophobicContact CB-CD1 3.64Å; C69-F76 HydrophobicContact CB-CE1 3.54Å; C69-F76 HydrophobicContact CB-CG 4.39Å; C69-F76 HydrophobicContact CB-CZ 4.25Å; F73-F76 HydrophobicContact CB-CB 3.65Å; F73-F76 WeakPolarHBondContact O-CB 3.35Å; F73-F76 PolarHBondContact O-N 2.87Å; F73-F76 VanDerWaalsContact O-N 3.14Å; F76-L79 PolarHBondContact O-N 3.42Å; F76-M80 HydrophobicContact CD1-CG 3.97Å; F76-M80 HydrophobicContact CE1-CE 4.48Å; F76-M80 HydrophobicContact CE1-CG 3.66Å; F76-M80 HydrophobicContact CE2-CG 4.23Å; F76-M80 HydrophobicContact CG-CG 4.4Å; F76-M80 HydrophobicContact CZ-CE 4.19Å; F76-M80 HydrophobicContact CZ-CG 3.8Å; F76-M80 HydrophobicContact CZ-SD 4.23Å; F76-M80 WeakPolarHBondContact O-CB 3.3Å; F76-M80 VanDerWaalsContact O-CG 3.29Å; F76-M80 WeakPolarHBondContact O-CG 3.18Å; F76-M80 PolarHBondContact O-N 2.92Å
77K83.1Confident82.3Confident92 Ų9267 Ų6740%0.434%0.338SS..Hα-helixtrans-57-51.2171.6-168.1174.1172.8-178.20111.3C70 F73 V74 L79 M80 T81 I107C70-K77 HydrophobicContact CB-CB 4.31Å; C70-K77 HydrophobicContact CB-CG 4.35Å; C70-K77 WeakPolarHBondContact O-CB 3.26Å; C70-K77 WeakPolarHBondContact O-CD 3.25Å; F73-K77 PolarHBondContact O-N 3.36Å; V74-K77 WeakPolarHBondContact O-CB 2.95Å; V74-K77 PolarHBondContact O-N 2.96Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 3.48Å; K77-M80 PolarHBondContact O-N 2.89Å; K77-T81 PolarHBondContact O-N 3.46Å; K77-T81 PolarHBondContact O-OG1 3.31Å; K77-I107 HydrophobicContact CB-CD1 4.33Å; K77-I107 HydrophobicContact CD-CD1 3.97Å; K77-I107 HydrophobicContact CG-CD1 4.17Å
78C82.9Confident81.9Confident6 Ų664 Ų644%0.04132%0.318CS..Hα-helixtrans-56.6-41.8176.7-75.50000112.3F14 V74 E75 C82 I107F14-C78 HydrophobicContact CE1-CB 4.07Å; F14-C78 HydrophobicContact CE2-CB 4.44Å; F14-C78 HydrophobicContact CZ-CB 3.96Å; V74-C78 PolarHBondContact O-N 3.42Å; V74-C78 PolarHBondContact O-SG 3.3Å; V74-C78 VanDerWaalsContact O-SG 3.41Å; E75-C78 PolarHBondContact O-N 2.98Å; C78-C82 WeakPolarHBondContact O-CA 3.33Å; C78-C82 VanDerWaalsContact O-CB 3.27Å; C78-C82 WeakPolarHBondContact O-CB 3.46Å; C78-C82 PolarHBondContact O-N 3.45Å; C78-C82 VanDerWaalsContact O-N 3.12Å; C78-I107 WeakPolarHBondContact SG-CD1 3.25Å
79L84.5Confident81.5Confident117 Ų11765.5 Ų65.561%0.61333%0.334SS*.Hα-helixtrans-64.3-43.6178.4-176.766.7000112.2E75 F76 K77E75-L79 PolarHBondContact O-N 3Å; F76-L79 PolarHBondContact O-N 3.42Å; K77-L79 VanDerWaalsContact C-N 3.28Å; K77-L79 PolarHBondContact O-N 3.48Å
80M83.7Confident81.4Confident34 Ų3467 Ų6717%0.16735%0.349CS..Hα-helixtrans-85.6-35.7-171.2-67.2-63-88.200114G23 V66 F76 K77G23-M80 PolarHBondContact N-O 3.4Å; G23-M80 VanDerWaalsContact O-CE 3.26Å; G23-M80 WeakPolarHBondContact O-CE 3.46Å; V66-M80 HydrophobicContact CG1-CE 3.55Å; F76-M80 HydrophobicContact CD1-CG 3.97Å; F76-M80 HydrophobicContact CE1-CE 4.48Å; F76-M80 HydrophobicContact CE1-CG 3.66Å; F76-M80 HydrophobicContact CE2-CG 4.23Å; F76-M80 HydrophobicContact CG-CG 4.4Å; F76-M80 HydrophobicContact CZ-CE 4.19Å; F76-M80 HydrophobicContact CZ-CG 3.8Å; F76-M80 HydrophobicContact CZ-SD 4.23Å; F76-M80 WeakPolarHBondContact O-CB 3.3Å; F76-M80 VanDerWaalsContact O-CG 3.29Å; F76-M80 WeakPolarHBondContact O-CG 3.18Å; F76-M80 PolarHBondContact O-N 2.92Å; K77-M80 PolarHBondContact O-N 2.89Å
81T83.1Confident81.3Confident7 Ų766.9 Ų66.94%0.04335%0.348CS..Hα-helixtrans-106.5-22.1-174.764.10000113.5R17 Y24 K77R17-T81 WeakPolarHBondContact CB-O 3.5Å; R17-T81 WeakPolarHBondContact CG-O 3.32Å; R17-T81 PolarHBondContact N-O 3.19Å; Y24-T81 HydrophobicContact CD1-CG2 4.33Å; Y24-T81 HydrophobicContact CE1-CG2 3.75Å; K77-T81 PolarHBondContact O-N 3.46Å; K77-T81 PolarHBondContact O-OG1 3.31Å
82C84.7Confident81.5Confident4 Ų466.9 Ų66.93%0.02735%0.348CS..EExtended strand (participates in β ladder)trans-113.5158.1-169.2-53.90000113.5F14 T15 R17 C78F14-C82 HydrophobicContact CB-CB 3.95Å; F14-C82 HydrophobicContact CD1-CB 3.52Å; F14-C82 HydrophobicContact CE1-CB 4.35Å; F14-C82 HydrophobicContact CG-CB 3.99Å; T15-C82 CarbonylContact O-C 3.57Å; T15-C82 WeakPolarHBondContact O-CA 3.46Å; R17-C82 PolarHBondContact NE-O 2.96Å; R17-C82 PolarHBondContact NH2-O 3.21Å; C78-C82 WeakPolarHBondContact O-CA 3.33Å; C78-C82 VanDerWaalsContact O-CB 3.27Å; C78-C82 WeakPolarHBondContact O-CB 3.46Å; C78-C82 PolarHBondContact O-N 3.45Å; C78-C82 VanDerWaalsContact O-N 3.12Å
83K85Confident81.8Confident137 Ų13766.1 Ų66.160%0.59635%0.345SS*.EExtended strand (participates in β ladder)trans-115130.1167.7-176.3179.3177.9-178.50108.3F14 T15F14-K83 WeakPolarHBondContact CA-O 3.45Å; T15-K83 PolarHBondContact N-O 3.47Å; T15-K83 PolarHBondContact O-N 3.36Å
84K84.3Confident82.1Confident133 Ų13360.2 Ų60.258%0.57832%0.319SS*.EExtended strand (participates in β ladder)trans-69.2140.4176.9-171.4167.2-179.6163.30110E12 F14E12-K84 IonicContact OE1-NZ 3.95Å; E12-K84 PolarHBondContact OE1-NZ 3.15Å; F14-K84 HydrophobicContact CD1-CB 4.42Å; F14-K84 HydrophobicContact CE1-CB 4.09Å
85Q83.5Confident82.4Confident51 Ų5158.8 Ų58.824%0.23831%0.31CS..EExtended strand (participates in β ladder)trans-128.6159.5177.4-74.8-165.9-8.700112.4L13 T15 A90 S91L13-Q85 PolarHBondContact O-N 2.76Å; T15-Q85 VanDerWaalsContact CG2-CD 3.49Å; T15-Q85 HydrophobicContact CG2-CG 4.41Å; T15-Q85 PolarHBondContact OG1-NE2 3.33Å; Q85-A90 VanDerWaalsContact CD-O 3.32Å; Q85-A90 PolarHBondContact NE2-O 2.94Å; Q85-A90 VanDerWaalsContact NE2-O 3.08Å; Q85-A90 PolarHBondContact OE1-O 2.67Å; Q85-S91 VanDerWaalsContact OE1-CA 3.27Å; Q85-S91 PolarHBondContact OE1-OG 3.1Å
86S79.3Confident82.6Confident109 Ų10952.7 Ų52.776%0.76228%0.281SS*.SBendtrans-93.9-33.1-179.848.60000113.5
87S77.4Confident82.6Confident52 Ų5251.3 Ų51.336%0.36428%0.278SS..  trans-113.2141.5-174.2177.90000112.2L13 A89 A90 S91L13-S87 VanDerWaalsContact CD1-C 3.48Å; S87-A89 VanDerWaalsContact C-N 3.27Å; S87-A89 PolarHBondContact O-N 2.87Å; S87-A89 PolarHBondContact OG-N 2.9Å; S87-A90 PolarHBondContact O-N 3.12Å; S87-S91 PolarHBondContact O-OG 3.37Å
88V77.1Confident82.4Confident1 Ų147.4 Ų47.41%0.00626%0.262CS..G310 helixtrans-60.4-37.2177.2-175.50000111.3M1 L13 A90 S91 Y121 F132M1-V88 HydrophobicContact CE-CG2 3.63Å; L13-V88 HydrophobicContact CD1-CB 4.48Å; L13-V88 HydrophobicContact CD1-CG2 3.95Å; L13-V88 HydrophobicContact CD2-CG2 4.49Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.35Å; V88-S91 WeakPolarHBondContact O-CB 3.36Å; V88-S91 PolarHBondContact O-N 3.47Å; V88-Y121 VanDerWaalsContact CG1-CB 3.49Å; V88-Y121 HydrophobicContact CG1-CD1 3.97Å; V88-Y121 HydrophobicContact CG1-CD2 4Å; V88-Y121 HydrophobicContact CG1-CG 3.56Å; V88-F132 HydrophobicContact CG1-CB 4.14Å; V88-F132 HydrophobicContact CG1-CD1 4.44Å; V88-F132 HydrophobicContact CG1-CD2 3.72Å; V88-F132 HydrophobicContact CG1-CE2 4.18Å; V88-F132 HydrophobicContact CG1-CG 3.85Å; V88-F132 HydrophobicContact CG2-CB 4.32Å; V88-F132 HydrophobicContact CG2-CD1 3.83Å; V88-F132 HydrophobicContact CG2-CE1 4.27Å; V88-F132 HydrophobicContact CG2-CG 4Å
89A77.6Confident81.9Confident59 Ų5948.7 Ų48.749%0.48827%0.27SS..G310 helixtrans-64.9-31.5-17400000113.9S87 S91 Y121S87-A89 VanDerWaalsContact C-N 3.27Å; S87-A89 PolarHBondContact O-N 2.87Å; S87-A89 PolarHBondContact OG-N 2.9Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-Y121 WeakPolarHBondContact CA-OH 3.36Å; A89-Y121 HydrophobicContact CB-CE2 4.34Å; A89-Y121 WeakPolarHBondContact CB-OH 3.29Å
90A79.6Confident81Confident58 Ų5847 Ų4748%0.47927%0.265SS..G310 helixtrans-86.4-9.1177.500000112.6T15 Q85 S87 V88T15-A90 WeakPolarHBondContact CG2-O 3.29Å; Q85-A90 VanDerWaalsContact CD-O 3.32Å; Q85-A90 PolarHBondContact NE2-O 2.94Å; Q85-A90 VanDerWaalsContact NE2-O 3.08Å; Q85-A90 PolarHBondContact OE1-O 2.67Å; S87-A90 PolarHBondContact O-N 3.12Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.35Å
91S80.9Confident80.1Confident9 Ų947.2 Ų47.26%0.06327%0.267CS..  trans-95.5138.7-167.4-62.80000112.2L13 Q85 S87 V88 A89 I110L13-S91 WeakPolarHBondContact CB-OG 3.49Å; Q85-S91 VanDerWaalsContact OE1-CA 3.27Å; Q85-S91 PolarHBondContact OE1-OG 3.1Å; S87-S91 PolarHBondContact O-OG 3.37Å; V88-S91 WeakPolarHBondContact O-CB 3.36Å; V88-S91 PolarHBondContact O-N 3.47Å; A89-S91 VanDerWaalsContact C-N 3.34Å; S91-I110 WeakPolarHBondContact O-CD1 3.35Å
92E84.2Confident79.4Confident102 Ų10248.2 Ų48.248%0.47727%0.274SS..SBendtrans-103.4-26.3176.7-70.6-180169.300112.5F14 T15 I110F14-E92 PolarHBondContact O-N 2.98Å; F14-E92 VanDerWaalsContact O-N 3.12Å; T15-E92 HydrophobicContact CG2-CB 4.42Å; T15-E92 HydrophobicContact CG2-CG 4.22Å; E92-I110 PolarHBondContact O-N 3.3Å
93Y85.9Confident78.7Confident59 Ų5948.5 Ų48.523%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-134.5153.3-174.3-66-89.1000111.7F14 L16 I107 V108 K109F14-Y93 PolarHBondContact N-O 3.19Å; F14-Y93 PolarHBondContact O-N 2.71Å; F14-Y93 VanDerWaalsContact O-O 3.07Å; L16-Y93 HydrophobicContact CB-CE2 4.37Å; L16-Y93 HydrophobicContact CD1-CD2 4.19Å; L16-Y93 HydrophobicContact CD1-CE2 3.26Å; L16-Y93 WeakPolarHBondContact CD1-OH 3.23Å; L16-Y93 HydrophobicContact CD2-CE2 4.44Å; L16-Y93 HydrophobicContact CG-CD2 3.83Å; L16-Y93 HydrophobicContact CG-CE2 3.4Å; Y93-I107 HydrophobicContact CD1-CG2 3.84Å; Y93-I107 HydrophobicContact CG-CG2 4.15Å; Y93-V108 CarbonylContact C-O 2.97Å; Y93-V108 VanDerWaalsContact CA-O 3.31Å; Y93-V108 WeakPolarHBondContact CA-O 3.41Å; Y93-K109 HydrophobicContact CD1-CB 4.17Å; Y93-K109 HydrophobicContact CE1-CB 3.98Å; Y93-K109 HydrophobicContact CE1-CG 4.17Å
94V86.3Confident78.1Confident0 Ų047.9 Ų47.90%027%0.272CS..EExtended strand (participates in β ladder)trans-125.8127177.4177.70000108.4V11 E12 L13 V96 I107 V108 I110 F132V11-V94 HydrophobicContact CG1-CG1 3.3Å; E12-V94 CarbonylContact O-C 3.5Å; E12-V94 WeakPolarHBondContact O-CA 3.43Å; L13-V94 HydrophobicContact CD2-CG2 3.84Å; V94-V96 HydrophobicContact CG1-CG2 3.77Å; V94-I107 CarbonylContact O-C 3.53Å; V94-I107 WeakPolarHBondContact O-CA 3.14Å; V94-V108 PolarHBondContact N-O 3.01Å; V94-V108 PolarHBondContact O-N 3.22Å; V94-I110 HydrophobicContact CG2-CD1 3.54Å; V94-I110 HydrophobicContact CG2-CG1 3.35Å; V94-F132 HydrophobicContact CG2-CE2 4Å; V94-F132 HydrophobicContact CG2-CZ 3.74Å
95K85.3Confident77.8Confident14 Ų1443.3 Ų43.36%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-89.4118164.7180-169.5172-169.60107.7V11 E12 F14 E75 M106V11-K95 WeakPolarHBondContact CA-O 3.41Å; E12-K95 HydrophobicContact CB-CB 4.32Å; E12-K95 PolarHBondContact N-O 2.77Å; E12-K95 PolarHBondContact O-N 3.05Å; E12-K95 IonicContact OE2-NZ 3.18Å; E12-K95 PolarHBondContact OE2-NZ 3.33Å; F14-K95 HydrophobicContact CD2-CB 3.8Å; F14-K95 HydrophobicContact CE2-CB 3.51Å; F14-K95 HydrophobicContact CE2-CD 3.94Å; F14-K95 HydrophobicContact CE2-CG 4.38Å; F14-K95 HydrophobicContact CZ-CD 4.47Å; E75-K95 IonicContact OE1-NZ 2.69Å; E75-K95 PolarHBondContact OE1-NZ 2.95Å; K95-M106 WeakPolarHBondContact CA-O 3.46Å
96V83.9Confident77.7Confident0 Ų043 Ų430%026%0.256CS..EExtended strand (participates in β ladder)trans-102.7124.8174.8-173.70000108.4I8 V94 S105 M106 F123 F125I8-V96 HydrophobicContact CD1-CG1 4.06Å; I8-V96 HydrophobicContact CG1-CG1 4.07Å; I8-V96 HydrophobicContact CG2-CG1 3.78Å; V94-V96 HydrophobicContact CG1-CG2 3.77Å; V96-S105 VanDerWaalsContact O-CA 3.3Å; V96-S105 WeakPolarHBondContact O-CA 3.45Å; V96-M106 PolarHBondContact N-O 2.97Å; V96-M106 PolarHBondContact O-N 3.11Å; V96-F123 HydrophobicContact CG2-CD2 4.19Å; V96-F123 HydrophobicContact CG2-CE2 3.75Å; V96-F125 HydrophobicContact CB-CD2 3.57Å; V96-F125 HydrophobicContact CB-CE2 3.7Å; V96-F125 HydrophobicContact CB-CG 4.07Å; V96-F125 HydrophobicContact CB-CZ 4.3Å; V96-F125 HydrophobicContact CG1-CD1 3.83Å; V96-F125 HydrophobicContact CG1-CD2 3.64Å; V96-F125 HydrophobicContact CG1-CE1 3.83Å; V96-F125 HydrophobicContact CG1-CE2 3.66Å; V96-F125 HydrophobicContact CG1-CG 3.72Å; V96-F125 HydrophobicContact CG1-CZ 3.75Å; V96-F125 HydrophobicContact CG2-CB 4.28Å; V96-F125 HydrophobicContact CG2-CD2 3.9Å; V96-F125 HydrophobicContact CG2-CG 4.16Å
97V81.7Confident77.8Confident33 Ų3339.9 Ų39.920%0.223%0.23CC..EExtended strand (participates in β ladder)trans-104.4110.4171.3-176.70000107.5A9 S10A9-V97 WeakPolarHBondContact CA-O 3.34Å; A9-V97 HydrophobicContact CB-CG1 4.4Å; A9-V97 WeakPolarHBondContact CB-O 3.36Å; A9-V97 PolarHBondContact N-O 3.48Å; S10-V97 PolarHBondContact N-O 3.37Å; S10-V97 VanDerWaalsContact N-O 3.12Å; S10-V97 PolarHBondContact O-N 3Å; S10-V97 WeakPolarHBondContact OG-CB 3.24Å; S10-V97 WeakPolarHBondContact OG-CG2 3.14Å
98P79.2Confident78.2Confident11 Ų1138.4 Ų38.47%0.07122%0.219CC..EExtended strand (participates in β ladder)trans-69.416217627.4-31.9000111.4D7 T102 F125D7-P98 WeakPolarHBondContact O-CA 3.49Å; P98-T102 WeakPolarHBondContact CB-OG1 3.38Å; P98-F125 HydrophobicContact CB-CE1 4.41Å; P98-F125 HydrophobicContact CB-CZ 4.04Å; P98-F125 HydrophobicContact CG-CZ 4.27Å
99T72.1Confident78.6Confident32 Ų3244.8 Ų44.820%0.19625%0.247CC..PPolyproline II helixtrans-59.8151.1166.343.90000111.2A6 D7 A9 N101 T102A6-T99 WeakPolarHBondContact O-CG2 3.13Å; A6-T99 PolarHBondContact O-OG1 2.86Å; D7-T99 PolarHBondContact O-N 3.4Å; D7-T99 PolarHBondContact O-OG1 3.02Å; A9-T99 HydrophobicContact CB-CG2 4.09Å; T99-N101 PolarHBondContact O-N 3.21Å; T99-T102 PolarHBondContact N-OG1 3.3Å; T99-T102 PolarHBondContact O-N 3.31Å; T99-T102 PolarHBondContact O-OG1 3.13Å; T99-T102 WeakPolarHBondContact OG1-CG2 3.34Å; T99-T102 PolarHBondContact OG1-OG1 3.01Å
100P66.3Low78.9Confident81 Ų8142.6 Ų42.653%0.52623%0.227SC..THydrogen-bonded Turntrans-59.4127.3179.723.1-33.8000110.6
101N64.8Low79.1Confident39 Ų3943.9 Ų43.921%0.20922%0.223CC..THydrogen-bonded Turntrans70.729.4-172.1-39-69.8000116.2T99 S384 K815 Q836T99-N101 PolarHBondContact O-N 3.21Å; N101-S384 CarbonylContact C-O 3.54Å; N101-S384 WeakPolarHBondContact CA-O 3.11Å; N101-S384 CarbonylContact O-C 3.26Å; N101-K815 PolarHBondContact OD1-NZ 2.83Å; N101-K815 VanDerWaalsContact OD1-NZ 3.12Å; N101-Q836 PolarHBondContact O-NE2 3.23Å
102T67.5Low79Confident28 Ų2849 Ų4917%0.17224%0.244CC..SBendtrans-123.718.2166.558.50000112.4D7 P98 T99 Q126 Y383D7-T102 PolarHBondContact O-OG1 3.47Å; P98-T102 WeakPolarHBondContact CB-OG1 3.38Å; T99-T102 PolarHBondContact N-OG1 3.3Å; T99-T102 PolarHBondContact O-N 3.31Å; T99-T102 PolarHBondContact O-OG1 3.13Å; T99-T102 WeakPolarHBondContact OG1-CG2 3.34Å; T99-T102 PolarHBondContact OG1-OG1 3.01Å; T102-Q126 PolarHBondContact O-NE2 3.12Å; T102-Y383 CarbonylContact C-O 3.55Å
103G70.6Confident78.5Confident11 Ų1146.5 Ų46.511%0.11323%0.233CC..  trans134.5-151.5172.500000114.1Y383G103-Y383 WeakPolarHBondContact CA-O 3.47Å; G103-Y383 PolarHBondContact N-O 3.26Å
104Y72.1Confident77.8Confident123 Ų12350.2 Ų50.248%0.48225%0.252SS..  trans-126.6153.2179.956.6-85.5000111.6M106Y104-M106 HydrophobicContact CD2-CE 3.88Å; Y104-M106 HydrophobicContact CD2-CG 3.73Å; Y104-M106 HydrophobicContact CE1-CE 3.83Å; Y104-M106 HydrophobicContact CE2-CE 3.03Å; Y104-M106 HydrophobicContact CE2-CG 3.61Å; Y104-M106 HydrophobicContact CE2-SD 4.12Å; Y104-M106 WeakPolarHBondContact OH-CE 3.25Å
105S78.9Confident76.5Confident37 Ų3751.7 Ų51.726%0.25926%0.262SS..  trans-66.7136.1177.9-49.70000110.2V96V96-S105 VanDerWaalsContact O-CA 3.3Å; V96-S105 WeakPolarHBondContact O-CA 3.45Å
106M81Confident75.3Confident46 Ų4660.1 Ų60.123%0.22730%0.301CS..EExtended strand (participates in β ladder)trans-135.4154.7178.8-67.9178.7177.300110.4K95 V96 Y104 V108 F125K95-M106 WeakPolarHBondContact CA-O 3.46Å; V96-M106 PolarHBondContact N-O 2.97Å; V96-M106 PolarHBondContact O-N 3.11Å; Y104-M106 HydrophobicContact CD2-CE 3.88Å; Y104-M106 HydrophobicContact CD2-CG 3.73Å; Y104-M106 HydrophobicContact CE1-CE 3.83Å; Y104-M106 HydrophobicContact CE2-CE 3.03Å; Y104-M106 HydrophobicContact CE2-CG 3.61Å; Y104-M106 HydrophobicContact CE2-SD 4.12Å; Y104-M106 WeakPolarHBondContact OH-CE 3.25Å; M106-V108 HydrophobicContact CB-CG2 4.37Å; M106-F125 HydrophobicContact CB-CE2 4.48Å; M106-F125 HydrophobicContact SD-CE2 4.47Å
107I81.9Confident74.2Confident42 Ų4266.1 Ų66.122%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-100.5121165.8-61.2162.3000107.1V74 K77 C78 Y93 V94V74-I107 HydrophobicContact CG1-CD1 3.77Å; V74-I107 HydrophobicContact CG1-CG1 3.6Å; K77-I107 HydrophobicContact CB-CD1 4.33Å; K77-I107 HydrophobicContact CD-CD1 3.97Å; K77-I107 HydrophobicContact CG-CD1 4.17Å; C78-I107 WeakPolarHBondContact SG-CD1 3.25Å; Y93-I107 HydrophobicContact CD1-CG2 3.84Å; Y93-I107 HydrophobicContact CG-CG2 4.15Å; V94-I107 CarbonylContact O-C 3.53Å; V94-I107 WeakPolarHBondContact O-CA 3.14Å
108V85.2Confident73.5Confident22 Ų2271.1 Ų71.113%0.13336%0.364CS..EExtended strand (participates in β ladder)trans-114.6145.2-178.6-178.90000108.6Y93 V94 M106 F123 H124 F125Y93-V108 CarbonylContact C-O 2.97Å; Y93-V108 VanDerWaalsContact CA-O 3.31Å; Y93-V108 WeakPolarHBondContact CA-O 3.41Å; V94-V108 PolarHBondContact N-O 3.01Å; V94-V108 PolarHBondContact O-N 3.22Å; M106-V108 HydrophobicContact CB-CG2 4.37Å; V108-F123 HydrophobicContact CG1-CB 4.2Å; V108-H124 WeakPolarHBondContact CG1-O 3.35Å; V108-F125 HydrophobicContact CG2-CD2 4.45Å
109K85.4Confident73.4Confident135 Ų13573.1 Ų73.159%0.58738%0.376SS*.EExtended strand (participates in β ladder)trans-78.4139.8174.9-171.3178.5176.9-176.60110.7Y93Y93-K109 HydrophobicContact CD1-CB 4.17Å; Y93-K109 HydrophobicContact CE1-CB 3.98Å; Y93-K109 HydrophobicContact CE1-CG 4.17Å
110I84.2Confident73.7Confident13 Ų1374 Ų747%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-81.6129.1170.3-60.7164.7000108.5L13 S91 E92 V94 Y121 F132L13-I110 HydrophobicContact CD2-CD1 4.23Å; S91-I110 WeakPolarHBondContact O-CD1 3.35Å; E92-I110 PolarHBondContact O-N 3.3Å; V94-I110 HydrophobicContact CG2-CD1 3.54Å; V94-I110 HydrophobicContact CG2-CG1 3.35Å; I110-Y121 HydrophobicContact CG2-CD1 3.96Å; I110-F132 HydrophobicContact CG1-CE2 4.43Å
111E83.3Confident74.5Confident85 Ų8571.6 Ų71.640%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-96.6118.1169.9-66.6-177.6-171.300109.3T122E111-T122 PolarHBondContact N-O 3.03Å; E111-T122 PolarHBondContact O-N 3.35Å; E111-T122 PolarHBondContact O-OG1 3.3Å
112K80.4Confident75.4Confident115 Ų11569.8 Ų69.850%0.535%0.35SS..EExtended strand (participates in β ladder)trans-87.8124.4171.9-175.4-171.6172.2-155.30108.8E114 V119 Y121K112-E114 WeakPolarHBondContact CE-OE1 3.34Å; K112-E114 IonicContact NZ-OE1 3.73Å; K112-E114 PolarHBondContact NZ-OE1 2.86Å; K112-V119 HydrophobicContact CD-CG1 4.12Å; K112-V119 HydrophobicContact CG-CG1 3.68Å; K112-Y121 HydrophobicContact CB-CD1 4.35Å; K112-Y121 HydrophobicContact CB-CE1 4.27Å; K112-Y121 HydrophobicContact CD-CE1 4.3Å; K112-Y121 HydrophobicContact CG-CD1 4.35Å; K112-Y121 HydrophobicContact CG-CE1 3.94Å
113Q72.7Confident76.3Confident51 Ų5168.4 Ų68.424%0.23834%0.342CS..EExtended strand (participates in β ladder)trans-122.7131.1176.4-62.1-177.4-4.600109.3I120Q113-I120 PolarHBondContact N-O 3.48Å; Q113-I120 PolarHBondContact O-N 3.46Å
114E72.1Confident76.9Confident137 Ų13771.4 Ų71.464%0.6435%0.353SS*.EExtended strand (participates in β ladder)trans-102.4115.1177.6-64.5-177.7175.200109.1K112 V119K112-E114 WeakPolarHBondContact CE-OE1 3.34Å; K112-E114 IonicContact NZ-OE1 3.73Å; K112-E114 PolarHBondContact NZ-OE1 2.86Å; E114-V119 HydrophobicContact CG-CG2 4.39Å
115C58.7Low77.3Confident31 Ų3165.6 Ų65.621%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-118.7108.3180-81.50000110S117 E118 I120C115-S117 PolarHBondContact O-N 3.24Å; C115-E118 PolarHBondContact N-O 3.04Å; C115-E118 PolarHBondContact O-N 3.06Å; C115-I120 HydrophobicContact CB-CD1 4.48Å
116H59.9Low77.2Confident190 Ų19064.4 Ų64.488%0.8832%0.321SS*.THydrogen-bonded Turntrans38.232.6167.2-70.5-64.2000117.5
117S60.7Low76.9Confident126 Ų12666.8 Ų66.888%0.88133%0.327SS*.THydrogen-bonded Turntrans116.3-16.1179.265.90000116.9C115C115-S117 PolarHBondContact O-N 3.24Å
118E67.8Low76.8Confident138 Ų13865.8 Ų65.865%0.64532%0.322SS*.EExtended strand (participates in β ladder)trans-103.8134.6174-69-174.5174.600111.9C115C115-E118 PolarHBondContact N-O 3.04Å; C115-E118 PolarHBondContact O-N 3.06Å
119V76.1Confident76.6Confident54 Ų5466.2 Ų66.233%0.32732%0.322SS..EExtended strand (participates in β ladder)trans-94.7113.8173.9-177.50000108.3K112 E114 Y121K112-V119 HydrophobicContact CD-CG1 4.12Å; K112-V119 HydrophobicContact CG-CG1 3.68Å; E114-V119 HydrophobicContact CG-CG2 4.39Å; V119-Y121 HydrophobicContact CB-CE2 4.32Å; V119-Y121 HydrophobicContact CG1-CD2 4.26Å; V119-Y121 HydrophobicContact CG1-CE1 4.28Å; V119-Y121 HydrophobicContact CG1-CE2 3.62Å
120I79Confident76.5Confident51 Ų5159.8 Ų59.826%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-102.4124.8178.6-52.3177.5000108.4Q113 C115 T122 I131Q113-I120 PolarHBondContact N-O 3.48Å; Q113-I120 PolarHBondContact O-N 3.46Å; C115-I120 HydrophobicContact CB-CD1 4.48Å; I120-T122 HydrophobicContact CG2-CG2 3.84Å; I120-I131 HydrophobicContact CG2-CG2 3.65Å
121Y83Confident76.5Confident29 Ų2960.3 Ų60.311%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-98.6127.1173.8-62.5-88.8000109.3V88 A89 I110 K112 V119 F132 T134V88-Y121 VanDerWaalsContact CG1-CB 3.49Å; V88-Y121 HydrophobicContact CG1-CD1 3.97Å; V88-Y121 HydrophobicContact CG1-CD2 4Å; V88-Y121 HydrophobicContact CG1-CG 3.56Å; A89-Y121 WeakPolarHBondContact CA-OH 3.36Å; A89-Y121 HydrophobicContact CB-CE2 4.34Å; A89-Y121 WeakPolarHBondContact CB-OH 3.29Å; I110-Y121 HydrophobicContact CG2-CD1 3.96Å; K112-Y121 HydrophobicContact CB-CD1 4.35Å; K112-Y121 HydrophobicContact CB-CE1 4.27Å; K112-Y121 HydrophobicContact CD-CE1 4.3Å; K112-Y121 HydrophobicContact CG-CD1 4.35Å; K112-Y121 HydrophobicContact CG-CE1 3.94Å; V119-Y121 HydrophobicContact CB-CE2 4.32Å; V119-Y121 HydrophobicContact CG1-CD2 4.26Å; V119-Y121 HydrophobicContact CG1-CE1 4.28Å; V119-Y121 HydrophobicContact CG1-CE2 3.62Å; Y121-F132 PolarHBondContact O-N 3.4Å; Y121-T134 HydrophobicContact CD2-CG2 4.36Å
122T83.7Confident76.3Confident1 Ų156.6 Ų56.61%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-130.7152.7-177.662.90000111.3E111 I120 Y130 I131E111-T122 PolarHBondContact N-O 3.03Å; E111-T122 PolarHBondContact O-N 3.35Å; E111-T122 PolarHBondContact O-OG1 3.3Å; I120-T122 HydrophobicContact CG2-CG2 3.84Å; T122-Y130 VanDerWaalsContact CA-O 3.23Å; T122-Y130 WeakPolarHBondContact CA-O 3.41Å; T122-Y130 WeakPolarHBondContact CB-O 3.3Å; T122-I131 HydrophobicContact CG2-CG1 4.09Å
123F85.8Confident75.9Confident0 Ų057.1 Ų57.10%028%0.278CS..EExtended strand (participates in β ladder)trans-141.4152.9171.570.8-83.6000110.5V96 V108 F125 Y130 F132 F140V96-F123 HydrophobicContact CG2-CD2 4.19Å; V96-F123 HydrophobicContact CG2-CE2 3.75Å; V108-F123 HydrophobicContact CG1-CB 4.2Å; F123-F125 HydrophobicContact CD2-CB 4.11Å; F123-F125 HydrophobicContact CE2-CB 3.87Å; F123-Y130 HydrophobicContact CD2-CD2 4.32Å; F123-Y130 HydrophobicContact CE1-CG 4.13Å; F123-Y130 AromaticContact CE2-CD2 3.72Å; F123-Y130 HydrophobicContact CE2-CD2 3.72Å; F123-Y130 AromaticContact CE2-CG 3.91Å; F123-Y130 HydrophobicContact CE2-CG 3.91Å; F123-Y130 HydrophobicContact CZ-CD1 4.34Å; F123-Y130 AromaticContact CZ-CD2 3.97Å; F123-Y130 HydrophobicContact CZ-CD2 3.97Å; F123-Y130 AromaticContact CZ-CG 3.64Å; F123-Y130 HydrophobicContact CZ-CG 3.64Å; F123-Y130 PolarHBondContact N-O 2.98Å; F123-Y130 PolarHBondContact O-N 3.01Å; F123-F132 AromaticContact CD1-CD2 3.97Å; F123-F132 HydrophobicContact CD1-CD2 3.97Å; F123-F132 HydrophobicContact CD1-CE1 4.35Å; F123-F132 AromaticContact CD1-CE2 3.21Å; F123-F132 HydrophobicContact CD1-CE2 3.21Å; F123-F132 AromaticContact CD1-CZ 3.43Å; F123-F132 HydrophobicContact CD1-CZ 3.43Å; F123-F132 VanDerWaalsContact CD1-CZ 3.43Å; F123-F132 HydrophobicContact CE1-CD2 4.37Å; F123-F132 AromaticContact CE1-CE1 3.96Å; F123-F132 HydrophobicContact CE1-CE1 3.96Å; F123-F132 AromaticContact CE1-CE2 3.68Å; F123-F132 HydrophobicContact CE1-CE2 3.68Å; F123-F132 AromaticContact CE1-CZ 3.41Å; F123-F132 HydrophobicContact CE1-CZ 3.41Å; F123-F132 VanDerWaalsContact CE1-CZ 3.41Å; F123-F132 HydrophobicContact CG-CE2 4.22Å; F123-F132 HydrophobicContact CG-CZ 4.47Å; F123-F132 HydrophobicContact CZ-CZ 4.48Å; F123-F140 HydrophobicContact CE1-CB 4.14Å; F123-F140 HydrophobicContact CE1-CG 4.5Å; F123-F140 HydrophobicContact CZ-CD2 4.31Å; F123-F140 HydrophobicContact CZ-CG 4.49Å
124H82.6Confident75.5Confident74 Ų7458.9 Ų58.934%0.34329%0.292SS..EExtended strand (participates in β ladder)trans-108.1107.4179.2-73.7-84.5000111.2V108 L128V108-H124 WeakPolarHBondContact CG1-O 3.35Å; H124-L128 CarbonylContact C-O 3.55Å; H124-L128 VanDerWaalsContact CA-O 3.28Å; H124-L128 WeakPolarHBondContact CA-O 3.33Å
125F81.4Confident74.8Confident1 Ų156.5 Ų56.50%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-111.4127.8174.3179.7-108.9000110.1I8 V96 P98 M106 V108 F123 R127 L128 Y130I8-F125 HydrophobicContact CD1-CD1 4.09Å; I8-F125 HydrophobicContact CG1-CD1 4.24Å; I8-F125 HydrophobicContact CG1-CE1 4.26Å; V96-F125 HydrophobicContact CB-CD2 3.57Å; V96-F125 HydrophobicContact CB-CE2 3.7Å; V96-F125 HydrophobicContact CB-CG 4.07Å; V96-F125 HydrophobicContact CB-CZ 4.3Å; V96-F125 HydrophobicContact CG1-CD1 3.83Å; V96-F125 HydrophobicContact CG1-CD2 3.64Å; V96-F125 HydrophobicContact CG1-CE1 3.83Å; V96-F125 HydrophobicContact CG1-CE2 3.66Å; V96-F125 HydrophobicContact CG1-CG 3.72Å; V96-F125 HydrophobicContact CG1-CZ 3.75Å; V96-F125 HydrophobicContact CG2-CB 4.28Å; V96-F125 HydrophobicContact CG2-CD2 3.9Å; V96-F125 HydrophobicContact CG2-CG 4.16Å; P98-F125 HydrophobicContact CB-CE1 4.41Å; P98-F125 HydrophobicContact CB-CZ 4.04Å; P98-F125 HydrophobicContact CG-CZ 4.27Å; M106-F125 HydrophobicContact CB-CE2 4.48Å; M106-F125 HydrophobicContact SD-CE2 4.47Å; V108-F125 HydrophobicContact CG2-CD2 4.45Å; F123-F125 HydrophobicContact CD2-CB 4.11Å; F123-F125 HydrophobicContact CE2-CB 3.87Å; F125-R127 PolarHBondContact O-N 3.48Å; F125-R127 VanDerWaalsContact O-N 3.1Å; F125-L128 PolarHBondContact N-O 3.33Å; F125-L128 PolarHBondContact O-N 3.06Å; F125-Y130 HydrophobicContact CB-CD2 4.12Å; F125-Y130 HydrophobicContact CB-CE2 3.91Å; F125-Y130 HydrophobicContact CD1-CE2 4.48Å
126Q75.9Confident74.7Confident12 Ų1263.6 Ų63.66%0.05632%0.32CS..THydrogen-bonded Turntrans49.736.2-173.9-62.3177.8-4.100112.5T102 L128 Y383T102-Q126 PolarHBondContact O-NE2 3.12Å; Q126-L128 PolarHBondContact O-N 2.78Å; Q126-L128 VanDerWaalsContact O-N 3.16Å; Q126-Y383 HydrophobicContact CB-CD1 4.48Å; Q126-Y383 HydrophobicContact CB-CD2 3.83Å; Q126-Y383 HydrophobicContact CB-CE1 4.49Å; Q126-Y383 HydrophobicContact CB-CE2 3.83Å; Q126-Y383 HydrophobicContact CB-CG 4.17Å; Q126-Y383 HydrophobicContact CG-CD1 4.07Å; Q126-Y383 HydrophobicContact CG-CD2 4.13Å; Q126-Y383 HydrophobicContact CG-CE1 4.39Å; Q126-Y383 HydrophobicContact CG-CE2 4.43Å; Q126-Y383 HydrophobicContact CG-CG 3.93Å
127R75Confident74.5Confident95 Ų9562 Ų6236%0.35831%0.31SS..THydrogen-bonded Turntrans63.38.4-175.8-57.6174.1171.5-168.2-6.1115.6F125 H179 D181 L370F125-R127 PolarHBondContact O-N 3.48Å; F125-R127 VanDerWaalsContact O-N 3.1Å; R127-H179 PolarHBondContact NH1-O 3.02Å; R127-D181 IonicContact NH2-OD2 3.11Å; R127-L370 HydrophobicContact CB-CD1 3.32Å; R127-L370 HydrophobicContact CG-CD1 4.39Å
128L79.3Confident74.8Confident21 Ų2158.6 Ų58.611%0.1128%0.283CS..EExtended strand (participates in β ladder)trans-87.5138165.2-68.5176.3000110.3H124 F125 Q126 Y130 L370 K379H124-L128 CarbonylContact C-O 3.55Å; H124-L128 VanDerWaalsContact CA-O 3.28Å; H124-L128 WeakPolarHBondContact CA-O 3.33Å; F125-L128 PolarHBondContact N-O 3.33Å; F125-L128 PolarHBondContact O-N 3.06Å; Q126-L128 PolarHBondContact O-N 2.78Å; Q126-L128 VanDerWaalsContact O-N 3.16Å; L128-Y130 HydrophobicContact CB-CD2 4.43Å; L128-Y130 HydrophobicContact CB-CE2 3.76Å; L128-Y130 WeakPolarHBondContact O-CD2 3.19Å; L128-L370 HydrophobicContact CD2-CB 3.75Å; L128-K379 HydrophobicContact CD1-CD 3.87Å; L128-K379 VanDerWaalsContact CD1-NZ 3.26Å
129K82.3Confident75.1Confident32 Ų3253.6 Ų53.614%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-83.7127.8175-172.1175.8-179.4174.30109.7T143 R171K129-T143 PolarHBondContact O-N 2.92Å; K129-T143 PolarHBondContact O-OG1 3.08Å; K129-R171 PolarHBondContact NZ-O 3.08Å
130Y83.5Confident75.2Confident0 Ų051.3 Ų51.30%025%0.248CC..EExtended strand (participates in β ladder)trans-116.3140.6173.1-69-89.5000109.4D5 I8 T122 F123 F125 L128 F140 H141 P142D5-Y130 HydrophobicContact CB-CE1 4.31Å; D5-Y130 WeakPolarHBondContact OD2-CE1 3.02Å; D5-Y130 PolarHBondContact OD2-OH 2.78Å; I8-Y130 HydrophobicContact CD1-CD1 4.45Å; I8-Y130 HydrophobicContact CD1-CE1 3.81Å; I8-Y130 HydrophobicContact CD1-CE2 4.08Å; T122-Y130 VanDerWaalsContact CA-O 3.23Å; T122-Y130 WeakPolarHBondContact CA-O 3.41Å; T122-Y130 WeakPolarHBondContact CB-O 3.3Å; F123-Y130 HydrophobicContact CD2-CD2 4.32Å; F123-Y130 HydrophobicContact CE1-CG 4.13Å; F123-Y130 AromaticContact CE2-CD2 3.72Å; F123-Y130 HydrophobicContact CE2-CD2 3.72Å; F123-Y130 AromaticContact CE2-CG 3.91Å; F123-Y130 HydrophobicContact CE2-CG 3.91Å; F123-Y130 HydrophobicContact CZ-CD1 4.34Å; F123-Y130 AromaticContact CZ-CD2 3.97Å; F123-Y130 HydrophobicContact CZ-CD2 3.97Å; F123-Y130 AromaticContact CZ-CG 3.64Å; F123-Y130 HydrophobicContact CZ-CG 3.64Å; F123-Y130 PolarHBondContact N-O 2.98Å; F123-Y130 PolarHBondContact O-N 3.01Å; F125-Y130 HydrophobicContact CB-CD2 4.12Å; F125-Y130 HydrophobicContact CB-CE2 3.91Å; F125-Y130 HydrophobicContact CD1-CE2 4.48Å; L128-Y130 HydrophobicContact CB-CD2 4.43Å; L128-Y130 HydrophobicContact CB-CE2 3.76Å; L128-Y130 WeakPolarHBondContact O-CD2 3.19Å; Y130-F140 HydrophobicContact CD1-CD2 4.06Å; Y130-H141 WeakPolarHBondContact CA-O 3.3Å; Y130-P142 HydrophobicContact CD1-CB 4.27Å; Y130-P142 HydrophobicContact CE1-CB 4.06Å
131I83Confident75.3Confident23 Ų2350.4 Ų50.412%0.11824%0.243CC..EExtended strand (participates in β ladder)trans-112.2129.5-179.2-57.9170.6000107.9I120 T122 F140 H141I120-I131 HydrophobicContact CG2-CG2 3.65Å; T122-I131 HydrophobicContact CG2-CG1 4.09Å; I131-F140 WeakPolarHBondContact O-CA 3.49Å; I131-H141 PolarHBondContact N-O 3.38Å; I131-H141 PolarHBondContact O-N 3.37Å; I131-H141 PolarHBondContact O-ND1 2.83Å
132F79.4Confident75.1Confident8 Ų851.6 Ų51.64%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-82.1132.5168.9-71-74.1000109.7M1 L13 V88 V94 I110 Y121 F123 F140M1-F132 HydrophobicContact CE-CD1 4.17Å; M1-F132 HydrophobicContact CE-CE1 3.79Å; M1-F132 HydrophobicContact SD-CD1 4.19Å; M1-F132 HydrophobicContact SD-CE1 3.63Å; L13-F132 HydrophobicContact CD2-CZ 4.25Å; V88-F132 HydrophobicContact CG1-CB 4.14Å; V88-F132 HydrophobicContact CG1-CD1 4.44Å; V88-F132 HydrophobicContact CG1-CD2 3.72Å; V88-F132 HydrophobicContact CG1-CE2 4.18Å; V88-F132 HydrophobicContact CG1-CG 3.85Å; V88-F132 HydrophobicContact CG2-CB 4.32Å; V88-F132 HydrophobicContact CG2-CD1 3.83Å; V88-F132 HydrophobicContact CG2-CE1 4.27Å; V88-F132 HydrophobicContact CG2-CG 4Å; V94-F132 HydrophobicContact CG2-CE2 4Å; V94-F132 HydrophobicContact CG2-CZ 3.74Å; I110-F132 HydrophobicContact CG1-CE2 4.43Å; Y121-F132 PolarHBondContact O-N 3.4Å; F123-F132 AromaticContact CD1-CD2 3.97Å; F123-F132 HydrophobicContact CD1-CD2 3.97Å; F123-F132 HydrophobicContact CD1-CE1 4.35Å; F123-F132 AromaticContact CD1-CE2 3.21Å; F123-F132 HydrophobicContact CD1-CE2 3.21Å; F123-F132 AromaticContact CD1-CZ 3.43Å; F123-F132 HydrophobicContact CD1-CZ 3.43Å; F123-F132 VanDerWaalsContact CD1-CZ 3.43Å; F123-F132 HydrophobicContact CE1-CD2 4.37Å; F123-F132 AromaticContact CE1-CE1 3.96Å; F123-F132 HydrophobicContact CE1-CE1 3.96Å; F123-F132 AromaticContact CE1-CE2 3.68Å; F123-F132 HydrophobicContact CE1-CE2 3.68Å; F123-F132 AromaticContact CE1-CZ 3.41Å; F123-F132 HydrophobicContact CE1-CZ 3.41Å; F123-F132 VanDerWaalsContact CE1-CZ 3.41Å; F123-F132 HydrophobicContact CG-CE2 4.22Å; F123-F132 HydrophobicContact CG-CZ 4.47Å; F123-F132 HydrophobicContact CZ-CZ 4.48Å; F132-F140 HydrophobicContact CD1-CB 3.88Å; F132-F140 HydrophobicContact CE1-CB 3.94Å
133R72.1Confident74.9Confident126 Ų12652.2 Ų52.248%0.47526%0.258SS..EExtended strand (participates in β ladder)trans-100.6119.1170.8-164.3166.5177161.1-1.3108.3D135 S139R133-D135 HydrophobicContact CG-CB 4.34Å; R133-D135 IonicContact CZ-OD2 3.79Å; R133-D135 IonicContact NE-OD2 3.08Å; R133-D135 PolarHBondContact NE-OD2 3.24Å; R133-D135 IonicContact NH2-OD2 3.05Å; R133-D135 PolarHBondContact NH2-OD2 3.01Å; R133-D135 PolarHBondContact O-N 2.91Å; R133-S139 PolarHBondContact N-O 3.38Å
134T64Low74.6Confident87 Ų8757.9 Ų57.953%0.53428%0.284SS..  trans-83.727.3-178.639.50000113.5Y121Y121-T134 HydrophobicContact CD2-CG2 4.36Å
135D58Low74.7Confident87 Ų8755.8 Ų55.847%0.46527%0.274SS..SBendtrans-78.1166.2171.9-64.9-9.5000110R133 K137 D138R133-D135 HydrophobicContact CG-CB 4.34Å; R133-D135 IonicContact CZ-OD2 3.79Å; R133-D135 IonicContact NE-OD2 3.08Å; R133-D135 PolarHBondContact NE-OD2 3.24Å; R133-D135 IonicContact NH2-OD2 3.05Å; R133-D135 PolarHBondContact NH2-OD2 3.01Å; R133-D135 PolarHBondContact O-N 2.91Å; D135-K137 CarbonylContact O-C 3.52Å; D135-K137 PolarHBondContact O-N 3.01Å; D135-D138 PolarHBondContact O-N 2.91Å
136D55.9Low74.7Confident181 Ų18156 Ų5697%0.96828%0.276SS*.SBendtrans-40.7-22.7-172.6-75.3-29.2000117.1
137K56.2Low74.8Confident155 Ų15555.7 Ų55.767%0.67428%0.275SS*.SBendtrans-116.497170.3-66176.3-178174.90108.7V2 D135 S139V2-K137 HydrophobicContact CG2-CD 4.46Å; D135-K137 CarbonylContact O-C 3.52Å; D135-K137 PolarHBondContact O-N 3.01Å; K137-S139 WeakPolarHBondContact O-CB 3.3Å; K137-S139 PolarHBondContact O-N 3.38Å; K137-S139 PolarHBondContact O-OG 2.82Å; K137-S139 VanDerWaalsContact O-OG 3.13Å
138D66.8Low74.9Confident56 Ų5657.2 Ų57.230%0.29929%0.29SS..  trans-41.8102.7169.3-78.2-35.5000110.1M1 D135M1-D138 VanDerWaalsContact CA-O 3.24Å; M1-D138 WeakPolarHBondContact CA-O 3.5Å; M1-D138 VanDerWaalsContact CB-O 3.24Å; M1-D138 WeakPolarHBondContact CB-O 3.46Å; M1-D138 HydrophobicContact CE-CB 4.13Å; M1-D138 HydrophobicContact CG-CB 4.19Å; M1-D138 VanDerWaalsContact CG-O 3.32Å; M1-D138 WeakPolarHBondContact CG-O 3.41Å; D135-D138 PolarHBondContact O-N 2.91Å
139S74.7Confident75.1Confident32 Ų3260.3 Ų60.322%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-132.6146-175.555.30000108.6R133 K137R133-S139 PolarHBondContact N-O 3.38Å; K137-S139 WeakPolarHBondContact O-CB 3.3Å; K137-S139 PolarHBondContact O-N 3.38Å; K137-S139 PolarHBondContact O-OG 2.82Å; K137-S139 VanDerWaalsContact O-OG 3.13Å
140F78.7Confident75.1Confident6 Ų660.8 Ų60.83%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-112.7143.817463.6-87.2000108.2M1 S4 I8 V11 F123 Y130 I131 F132M1-F140 HydrophobicContact CB-CD1 4.21Å; M1-F140 HydrophobicContact CB-CE1 4.31Å; M1-F140 HydrophobicContact SD-CD1 4.17Å; S4-F140 PolarHBondContact OG-O 3.42Å; I8-F140 HydrophobicContact CB-CE2 4.38Å; I8-F140 HydrophobicContact CB-CZ 4.33Å; I8-F140 HydrophobicContact CD1-CE2 3.91Å; I8-F140 HydrophobicContact CG2-CE2 4.34Å; I8-F140 HydrophobicContact CG2-CZ 3.97Å; V11-F140 HydrophobicContact CB-CD1 4.36Å; V11-F140 HydrophobicContact CB-CE1 3.93Å; V11-F140 HydrophobicContact CG2-CD1 4.06Å; V11-F140 HydrophobicContact CG2-CE1 3.45Å; V11-F140 VanDerWaalsContact CG2-CE1 3.45Å; V11-F140 HydrophobicContact CG2-CE2 4.27Å; V11-F140 HydrophobicContact CG2-CZ 3.58Å; F123-F140 HydrophobicContact CE1-CB 4.14Å; F123-F140 HydrophobicContact CE1-CG 4.5Å; F123-F140 HydrophobicContact CZ-CD2 4.31Å; F123-F140 HydrophobicContact CZ-CG 4.49Å; Y130-F140 HydrophobicContact CD1-CD2 4.06Å; I131-F140 WeakPolarHBondContact O-CA 3.49Å; F132-F140 HydrophobicContact CD1-CB 3.88Å; F132-F140 HydrophobicContact CE1-CB 3.94Å
141H79.5Confident74.8Confident33 Ų3360.9 Ų60.915%0.15331%0.308CS..EExtended strand (participates in β ladder)trans-132.3147.2174.755.7-70.4000109.6S4 Y130 I131 E144S4-H141 WeakPolarHBondContact OG-CA 3.26Å; Y130-H141 WeakPolarHBondContact CA-O 3.3Å; I131-H141 PolarHBondContact N-O 3.38Å; I131-H141 PolarHBondContact O-N 3.37Å; I131-H141 PolarHBondContact O-ND1 2.83Å; H141-E144 IonicContact CD2-OE1 3.92Å
142P79.1Confident74.7Confident54 Ų5466.5 Ų66.535%0.35133%0.332SS..EExtended strand (participates in β ladder)trans-61.2156.3167.829-34.5000109.2Y130 E144Y130-P142 HydrophobicContact CD1-CB 4.27Å; Y130-P142 HydrophobicContact CE1-CB 4.06Å; P142-E144 PolarHBondContact O-N 3.31Å; P142-E144 VanDerWaalsContact O-N 3.07Å
143T81Confident75Confident13 Ų1368.1 Ų68.18%0.0835%0.346CS..  trans-52.9118.9175-55.50000111.1K129 F145 K172 Y173K129-T143 PolarHBondContact O-N 2.92Å; K129-T143 PolarHBondContact O-OG1 3.08Å; T143-F145 HydrophobicContact CG2-CE2 4.44Å; T143-F145 WeakPolarHBondContact O-CD2 3.27Å; T143-F145 WeakPolarHBondContact O-CE2 3.16Å; T143-F145 PolarHBondContact O-N 3.42Å; T143-K172 WeakPolarHBondContact CG2-O 3.19Å; T143-Y173 HydrophobicContact CG2-CD1 3.96Å
144E79.2Confident75.6Confident119 Ų11962.1 Ų62.156%0.55632%0.324SS*.  trans-76.5106.7177.4-73.5174.8-173.800110.1H141 P142 Y173H141-E144 IonicContact CD2-OE1 3.92Å; P142-E144 PolarHBondContact O-N 3.31Å; P142-E144 VanDerWaalsContact O-N 3.07Å; E144-Y173 WeakPolarHBondContact O-CE1 3.5Å
145F84.2Confident76.5Confident30 Ų3060.8 Ų60.813%0.13231%0.313CS..  trans-78.3155.5175.5-71.6-87000111.4T143 V147 Y173 A270 R367 S371T143-F145 HydrophobicContact CG2-CE2 4.44Å; T143-F145 WeakPolarHBondContact O-CD2 3.27Å; T143-F145 WeakPolarHBondContact O-CE2 3.16Å; T143-F145 PolarHBondContact O-N 3.42Å; F145-V147 HydrophobicContact CB-CG2 3.76Å; F145-V147 PolarHBondContact O-N 2.99Å; F145-Y173 HydrophobicContact CD1-CD1 4.01Å; F145-Y173 HydrophobicContact CE1-CD1 4.2Å; F145-A270 HydrophobicContact CD1-CB 3.74Å; F145-A270 HydrophobicContact CE1-CB 4.14Å; F145-R367 HydrophobicContact CB-CG 3.93Å; F145-R367 HydrophobicContact CD1-CB 4.32Å; F145-R367 HydrophobicContact CD1-CG 4.21Å; F145-R367 HydrophobicContact CD2-CG 4.23Å; F145-R367 HydrophobicContact CG-CB 4.42Å; F145-R367 HydrophobicContact CG-CG 3.85Å; F145-S371 WeakPolarHBondContact CE2-OG 3.43Å; F145-S371 WeakPolarHBondContact CZ-OG 3.24Å
146P81.1Confident77.6Confident5 Ų559.1 Ų59.13%0.03232%0.316CS..SBendtrans-72.573.4179.632-37.2000111.9W149 Y154 A270 F364P146-W149 HydrophobicContact CB-CD2 4.1Å; P146-W149 HydrophobicContact CB-CE3 4.43Å; P146-W149 HydrophobicContact CB-CH2 3.86Å; P146-W149 HydrophobicContact CB-CZ2 3.45Å; P146-W149 VanDerWaalsContact CB-CZ2 3.45Å; P146-W149 HydrophobicContact CB-CZ3 4.33Å; P146-Y154 PolarHBondContact O-OH 2.9Å; P146-A270 HydrophobicContact CG-CB 4.35Å; P146-F364 HydrophobicContact CB-CE1 4.47Å; P146-F364 HydrophobicContact CB-CZ 4.32Å; P146-F364 HydrophobicContact CG-CE1 4.07Å; P146-F364 HydrophobicContact CG-CZ 4.09Å
147V77.6Confident79Confident7 Ų754.3 Ų54.34%0.04229%0.285CS..  trans-111.8-14.3-171.5-178.20000113.1F145 Y154 F324 F326 R367F145-V147 HydrophobicContact CB-CG2 3.76Å; F145-V147 PolarHBondContact O-N 2.99Å; V147-Y154 WeakPolarHBondContact CA-OH 3.17Å; V147-F324 HydrophobicContact CG1-CE1 4.26Å; V147-F324 WeakPolarHBondContact O-CD1 3.39Å; V147-F326 HydrophobicContact CG1-CB 3.46Å; V147-F326 VanDerWaalsContact CG1-CB 3.46Å; V147-F326 HydrophobicContact CG1-CD2 3.87Å; V147-F326 HydrophobicContact CG1-CG 3.95Å; V147-R367 HydrophobicContact CG2-CG 4.23Å
148D78.2Confident80.3Confident127 Ų12752.4 Ų52.468%0.67928%0.277SS*.SBendtrans-117.627.8-173.4-55.7-35.8000112.3
149W83Confident81.1Confident86 Ų8650 Ų5033%0.32626%0.264SS..  trans-80.1157.2177.9-59.5-8.5000111.6P146 A153 Y154 W157 F324 F364P146-W149 HydrophobicContact CB-CD2 4.1Å; P146-W149 HydrophobicContact CB-CE3 4.43Å; P146-W149 HydrophobicContact CB-CH2 3.86Å; P146-W149 HydrophobicContact CB-CZ2 3.45Å; P146-W149 VanDerWaalsContact CB-CZ2 3.45Å; P146-W149 HydrophobicContact CB-CZ3 4.33Å; W149-A153 HydrophobicContact CB-CB 4.17Å; W149-Y154 HydrophobicContact CB-CD2 4.11Å; W149-Y154 HydrophobicContact CB-CE1 4.17Å; W149-Y154 HydrophobicContact CB-CE2 3.57Å; W149-Y154 HydrophobicContact CD2-CE1 4.23Å; W149-Y154 AromaticContact CE3-CD1 3.98Å; W149-Y154 HydrophobicContact CE3-CD1 3.98Å; W149-Y154 AromaticContact CE3-CE1 3.76Å; W149-Y154 HydrophobicContact CE3-CE1 3.76Å; W149-Y154 HydrophobicContact CG-CE1 4.43Å; W149-Y154 PolarHBondContact N-OH 3.43Å; W149-Y154 WeakPolarHBondContact O-CE2 3.19Å; W149-W157 HydrophobicContact CZ3-CD2 4.37Å; W149-W157 HydrophobicContact CZ3-CE3 4.37Å; W149-F324 WeakPolarHBondContact O-CB 3.4Å; W149-F324 PolarHBondContact O-N 3.12Å; W149-F364 HydrophobicContact CE3-CZ 4.3Å; W149-F364 HydrophobicContact CH2-CZ 4.37Å; W149-F364 HydrophobicContact CZ3-CE2 4.08Å; W149-F364 AromaticContact CZ3-CZ 3.79Å; W149-F364 HydrophobicContact CZ3-CZ 3.79Å
150S82Confident81.6Confident42 Ų4249.2 Ų49.229%0.29426%0.257SS..BIsolated β-bridgetrans-69.1150.5170.661.90000111.1K152 A153 Y154S150-K152 PolarHBondContact O-N 3.49Å; S150-A153 WeakPolarHBondContact O-CA 3.5Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.45Å; S150-Y154 WeakPolarHBondContact O-CD2 3.33Å; S150-Y154 PolarHBondContact O-N 2.82Å
151M78.5Confident81.9Confident1 Ų153.6 Ų53.61%0.00528%0.277CS..Hα-helixtrans-58.1-36.1178.9-70.7-63-177.300112.5A153 Y154 L155 C315 L318 E322 F324 H330M151-A153 VanDerWaalsContact C-N 3.29Å; M151-A153 PolarHBondContact O-N 2.95Å; M151-Y154 PolarHBondContact O-N 3.34Å; M151-Y154 HydrophobicContact SD-CD2 4.48Å; M151-L155 WeakPolarHBondContact O-CG 3.3Å; M151-L155 PolarHBondContact O-N 2.73Å; M151-C315 HydrophobicContact SD-CB 4.15Å; M151-L318 HydrophobicContact CE-CD1 3.58Å; M151-L318 HydrophobicContact SD-CD1 4.42Å; M151-E322 HydrophobicContact CG-CB 4.41Å; M151-E322 WeakPolarHBondContact CG-O 3.41Å; M151-E322 PolarHBondContact N-O 3.43Å; M151-F324 HydrophobicContact CE-CB 3.81Å; M151-F324 HydrophobicContact CE-CD2 3.6Å; M151-F324 HydrophobicContact CE-CG 4.12Å; M151-F324 HydrophobicContact SD-CB 4.33Å; M151-H330 WeakPolarHBondContact CE-ND1 3.49Å
152K80.5Confident82.2Confident142 Ų14255 Ų5562%0.61729%0.288SS*.Hα-helixtrans-58.2-38.4172.2-171.7175.6-177.5176.50112.9S150 G156 A320S150-K152 PolarHBondContact O-N 3.49Å; K152-G156 PolarHBondContact O-N 3.31Å; K152-A320 PolarHBondContact N-O 2.99Å; K152-A320 VanDerWaalsContact N-O 3.14Å
153A83.9Confident82.5Confident41 Ų4155.9 Ų55.934%0.33929%0.292SS..Hα-helixtrans-68.7-42.2177.400000111.5W149 S150 M151 G156 W157W149-A153 HydrophobicContact CB-CB 4.17Å; S150-A153 WeakPolarHBondContact O-CA 3.5Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.45Å; M151-A153 VanDerWaalsContact C-N 3.29Å; M151-A153 PolarHBondContact O-N 2.95Å; A153-G156 PolarHBondContact O-N 3.39Å; A153-W157 WeakPolarHBondContact O-CB 3.46Å; A153-W157 PolarHBondContact O-N 2.84Å
154Y85.6Confident82.6Confident1 Ų160.9 Ų60.90%0.00432%0.319CS..Hα-helixtrans-64.4-47.1175.8-71.5-64.7000112.8P146 V147 W149 S150 M151 G156 W157 L290 F324 F364 L366P146-Y154 PolarHBondContact O-OH 2.9Å; V147-Y154 WeakPolarHBondContact CA-OH 3.17Å; W149-Y154 HydrophobicContact CB-CD2 4.11Å; W149-Y154 HydrophobicContact CB-CE1 4.17Å; W149-Y154 HydrophobicContact CB-CE2 3.57Å; W149-Y154 HydrophobicContact CD2-CE1 4.23Å; W149-Y154 AromaticContact CE3-CD1 3.98Å; W149-Y154 HydrophobicContact CE3-CD1 3.98Å; W149-Y154 AromaticContact CE3-CE1 3.76Å; W149-Y154 HydrophobicContact CE3-CE1 3.76Å; W149-Y154 HydrophobicContact CG-CE1 4.43Å; W149-Y154 PolarHBondContact N-OH 3.43Å; W149-Y154 WeakPolarHBondContact O-CE2 3.19Å; S150-Y154 WeakPolarHBondContact O-CD2 3.33Å; S150-Y154 PolarHBondContact O-N 2.82Å; M151-Y154 PolarHBondContact O-N 3.34Å; M151-Y154 HydrophobicContact SD-CD2 4.48Å; Y154-G156 VanDerWaalsContact C-N 3.29Å; Y154-G156 PolarHBondContact O-N 3.22Å; Y154-W157 WeakPolarHBondContact O-CB 3.47Å; Y154-W157 PolarHBondContact O-N 3.23Å; Y154-L290 HydrophobicContact CD1-CD2 3.89Å; Y154-L290 HydrophobicContact CD2-CD2 3.86Å; Y154-L290 HydrophobicContact CE1-CD2 4.2Å; Y154-L290 HydrophobicContact CE2-CD2 4.15Å; Y154-L290 HydrophobicContact CG-CD2 3.72Å; Y154-F324 HydrophobicContact CD2-CB 4.39Å; Y154-F324 HydrophobicContact CE2-CB 3.7Å; Y154-F324 AromaticContact CE2-CD1 3.84Å; Y154-F324 HydrophobicContact CE2-CD1 3.84Å; Y154-F324 HydrophobicContact CE2-CG 4Å; Y154-F364 AromaticContact CD1-CD1 3.93Å; Y154-F364 HydrophobicContact CD1-CD1 3.93Å; Y154-F364 HydrophobicContact CD1-CD2 4.3Å; Y154-F364 AromaticContact CD1-CE1 3.93Å; Y154-F364 HydrophobicContact CD1-CE1 3.93Å; Y154-F364 HydrophobicContact CD1-CE2 4.26Å; Y154-F364 HydrophobicContact CD1-CG 4.12Å; Y154-F364 HydrophobicContact CD1-CZ 4.07Å; Y154-F364 AromaticContact CE1-CD1 3.83Å; Y154-F364 HydrophobicContact CE1-CD1 3.83Å; Y154-F364 AromaticContact CE1-CE1 3.51Å; Y154-F364 HydrophobicContact CE1-CE1 3.51Å; Y154-F364 HydrophobicContact CE1-CG 4.47Å; Y154-F364 AromaticContact CE1-CZ 3.87Å; Y154-F364 HydrophobicContact CE1-CZ 3.87Å; Y154-L366 HydrophobicContact CE1-CD2 4.15Å
155L82.9Confident82.9Confident59 Ų5960.7 Ų60.731%0.30932%0.317SS..Hα-helixtrans-68.1-29.4179.5-70.4171.3000112.7M151 L292 E316M151-L155 WeakPolarHBondContact O-CG 3.3Å; M151-L155 PolarHBondContact O-N 2.73Å; L155-L292 HydrophobicContact CD2-CD2 4.49Å; L155-E316 HydrophobicContact CD2-CG 3.95Å
156G81.9Confident82.9Confident52 Ų5260.8 Ų60.854%0.53632%0.319SS..Hα-helixtrans-83.7-12.2176.700000114.8K152 A153 Y154K152-G156 PolarHBondContact O-N 3.31Å; A153-G156 PolarHBondContact O-N 3.39Å; Y154-G156 VanDerWaalsContact C-N 3.29Å; Y154-G156 PolarHBondContact O-N 3.22Å
157W84.5Confident83.1Confident80 Ų8063.5 Ų63.530%0.30333%0.332SS..  trans-69.5131.6-177.8-173.3-111.3000111.5W149 A153 Y154 Y160 G271 I273 F364W149-W157 HydrophobicContact CZ3-CD2 4.37Å; W149-W157 HydrophobicContact CZ3-CE3 4.37Å; A153-W157 WeakPolarHBondContact O-CB 3.46Å; A153-W157 PolarHBondContact O-N 2.84Å; Y154-W157 WeakPolarHBondContact O-CB 3.47Å; Y154-W157 PolarHBondContact O-N 3.23Å; W157-Y160 HydrophobicContact CZ2-CD1 4.44Å; W157-Y160 HydrophobicContact CZ2-CE1 4.26Å; W157-G271 PolarHBondContact NE1-O 2.99Å; W157-I273 WeakPolarHBondContact O-CD1 3.47Å; W157-F364 AromaticContact CD1-CD2 3.76Å; W157-F364 AromaticContact CD1-CE2 3.48Å; W157-F364 VanDerWaalsContact CD1-CE2 3.48Å; W157-F364 HydrophobicContact CG-CD2 4.5Å; W157-F364 HydrophobicContact CG-CE2 4.08Å; W157-F364 AromaticContact NE1-CE2 3.73Å
158K82.8Confident83.4Confident115 Ų11568 Ų6850%0.535%0.353SS..  trans-111.923.2-177.5-67.4-177.7-179.2175.10113.2Y255K158-Y255 WeakPolarHBondContact O-CD1 3.29Å; K158-Y255 VanDerWaalsContact O-CE1 3.24Å; K158-Y255 WeakPolarHBondContact O-CE1 3.44Å
159G83.9Confident83.7Confident4 Ų462.3 Ų62.34%0.04132%0.323CS..  trans69.8-175.6-17500000112.5E161G159-E161 PolarHBondContact O-N 2.84Å
160Y86.4Confident83.8Confident17 Ų1761.8 Ų61.87%0.06732%0.324CS..  trans-71.4112.5177.2-64.2-69.9000111.1W157 H165 Q166 A169 Q257 I269 A270 D272W157-Y160 HydrophobicContact CZ2-CD1 4.44Å; W157-Y160 HydrophobicContact CZ2-CE1 4.26Å; Y160-H165 HydrophobicContact CD1-CB 4.25Å; Y160-Q166 HydrophobicContact CG-CB 4.41Å; Y160-A169 HydrophobicContact CD1-CB 4.33Å; Y160-A169 HydrophobicContact CE1-CB 3.42Å; Y160-A169 VanDerWaalsContact CE1-CB 3.42Å; Y160-A169 HydrophobicContact CE2-CB 4.26Å; Y160-A169 WeakPolarHBondContact OH-CB 3.49Å; Y160-Q257 PolarHBondContact O-N 3.42Å; Y160-I269 HydrophobicContact CE2-CG2 4.5Å; Y160-A270 PolarHBondContact OH-O 2.83Å; Y160-D272 WeakPolarHBondContact CD2-OD1 3.33Å
161E84.2Confident83.8Confident97 Ų9766.6 Ų66.645%0.45334%0.336SS..  trans-77-34.6-177.6-62-156.6172.400113.4G159 K258G159-E161 PolarHBondContact O-N 2.84Å; E161-K258 WeakPolarHBondContact OE1-CE 3.34Å; E161-K258 IonicContact OE1-NZ 3.66Å; E161-K258 WeakPolarHBondContact OE2-CE 3.37Å; E161-K258 IonicContact OE2-NZ 2.86Å; E161-K258 PolarHBondContact OE2-NZ 3.24Å
162T86.4Confident84.1Confident63 Ų6371.2 Ų71.239%0.38736%0.356SS..SBendtrans-119.4158.9-179.369.50000112.1D164 H165 Q166T162-D164 VanDerWaalsContact C-N 3.33Å; T162-H165 PolarHBondContact OG1-CD2 3.26Å; T162-H165 PolarHBondContact OG1-N 3.41Å; T162-Q166 PolarHBondContact O-N 2.89Å
163V84.2Confident84.2Confident72 Ų7266 Ų6644%0.43633%0.333SS..Hα-helixtrans-65.2-37.7177.7-178.80000111.3Q166 I167V163-Q166 WeakPolarHBondContact O-CB 3.18Å; V163-Q166 PolarHBondContact O-N 3.35Å; V163-Q166 VanDerWaalsContact O-N 3.16Å; V163-I167 HydrophobicContact CG1-CD1 3.79Å; V163-I167 HydrophobicContact CG1-CG1 4.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.32Å; V163-I167 PolarHBondContact O-N 3.48Å
164D84.7Confident84.3Confident119 Ų11965.2 Ų65.264%0.63633%0.329SS*.Hα-helixtrans-64.6-44.6-178.1-60-35.8000111.6T162 Q166 I167 E168T162-D164 VanDerWaalsContact C-N 3.33Å; D164-Q166 VanDerWaalsContact C-N 3.27Å; D164-Q166 PolarHBondContact O-N 3.21Å; D164-I167 PolarHBondContact O-N 2.93Å; D164-E168 WeakPolarHBondContact O-CB 3.23Å; D164-E168 PolarHBondContact O-N 2.8Å
165H85.2Confident84.3Confident114 Ų11467.8 Ų67.853%0.52834%0.342SS..Hα-helixtrans-63-34.4174.5-82-91.4000112.1Y160 T162 A169Y160-H165 HydrophobicContact CD1-CB 4.25Å; T162-H165 PolarHBondContact OG1-CD2 3.26Å; T162-H165 PolarHBondContact OG1-N 3.41Å; H165-A169 VanDerWaalsContact O-CB 3.26Å; H165-A169 WeakPolarHBondContact O-CB 3.32Å; H165-A169 PolarHBondContact O-N 3.48Å
166Q83.4Confident84.4Confident33 Ų3365.4 Ų65.415%0.15433%0.33CS..Hα-helixtrans-66.1-46174-177.8-167.3-25.100111.2Y160 T162 V163 D164 A169 Q170 I269Y160-Q166 HydrophobicContact CG-CB 4.41Å; T162-Q166 PolarHBondContact O-N 2.89Å; V163-Q166 WeakPolarHBondContact O-CB 3.18Å; V163-Q166 PolarHBondContact O-N 3.35Å; V163-Q166 VanDerWaalsContact O-N 3.16Å; D164-Q166 VanDerWaalsContact C-N 3.27Å; D164-Q166 PolarHBondContact O-N 3.21Å; Q166-A169 PolarHBondContact O-N 3.26Å; Q166-Q170 VanDerWaalsContact O-CB 3.31Å; Q166-Q170 WeakPolarHBondContact O-CB 3.4Å; Q166-Q170 PolarHBondContact O-N 3.49Å; Q166-I269 HydrophobicContact CG-CD1 4.13Å
167I85.4Confident84.2Confident62 Ų6268.3 Ų68.332%0.31833%0.329SS..Hα-helixtrans-65.4-41.3179.1-68.5170.8000110.4V163 D164 Q170 R171V163-I167 HydrophobicContact CG1-CD1 3.79Å; V163-I167 HydrophobicContact CG1-CG1 4.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.32Å; V163-I167 PolarHBondContact O-N 3.48Å; D164-I167 PolarHBondContact O-N 2.93Å; I167-Q170 PolarHBondContact O-N 3.02Å; I167-R171 WeakPolarHBondContact O-CB 3.2Å; I167-R171 VanDerWaalsContact O-CG 3.29Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 3.41Å
168E84.1Confident83.6Confident102 Ų10266 Ų6648%0.47732%0.323SS..Hα-helixtrans-62-45.6175.8-171.5-175.6-179.400111.3D164 R171 K172D164-E168 WeakPolarHBondContact O-CB 3.23Å; D164-E168 PolarHBondContact O-N 2.8Å; E168-R171 PolarHBondContact O-N 3.2Å; E168-K172 WeakPolarHBondContact O-CB 3.42Å; E168-K172 PolarHBondContact O-N 3.19Å
169A84.4Confident82.7Confident7 Ų764.8 Ų64.86%0.05832%0.318CS..Hα-helixtrans-64.5-41.4175.600000112.5Y160 H165 Q166 R171 K172 Y173 I269Y160-A169 HydrophobicContact CD1-CB 4.33Å; Y160-A169 HydrophobicContact CE1-CB 3.42Å; Y160-A169 VanDerWaalsContact CE1-CB 3.42Å; Y160-A169 HydrophobicContact CE2-CB 4.26Å; Y160-A169 WeakPolarHBondContact OH-CB 3.49Å; H165-A169 VanDerWaalsContact O-CB 3.26Å; H165-A169 WeakPolarHBondContact O-CB 3.32Å; H165-A169 PolarHBondContact O-N 3.48Å; Q166-A169 PolarHBondContact O-N 3.26Å; A169-R171 VanDerWaalsContact C-N 3.27Å; A169-R171 PolarHBondContact O-N 3.38Å; A169-K172 PolarHBondContact O-N 2.8Å; A169-Y173 HydrophobicContact CB-CD2 4.16Å; A169-Y173 HydrophobicContact CB-CE2 4.33Å; A169-Y173 WeakPolarHBondContact O-CD2 3.23Å; A169-Y173 PolarHBondContact O-N 2.96Å; A169-I269 HydrophobicContact CB-CG2 4Å
170Q85.9Confident81.8Confident75 Ų7565.4 Ų65.435%0.3532%0.321SS..Hα-helixtrans-59.4-40.5174.2-173.1178.4-17.900111.1Q166 I167 G174 L175 I269Q166-Q170 VanDerWaalsContact O-CB 3.31Å; Q166-Q170 WeakPolarHBondContact O-CB 3.4Å; Q166-Q170 PolarHBondContact O-N 3.49Å; I167-Q170 PolarHBondContact O-N 3.02Å; Q170-G174 WeakPolarHBondContact O-CA 3.48Å; Q170-G174 PolarHBondContact O-N 3.28Å; Q170-L175 HydrophobicContact CG-CD2 3.75Å; Q170-L175 HydrophobicContact CG-CG 4.34Å; Q170-I269 HydrophobicContact CB-CD1 3.71Å; Q170-I269 HydrophobicContact CB-CG1 4.36Å; Q170-I269 HydrophobicContact CG-CD1 4.14Å
171R81.9Confident80.7Confident142 Ų14270 Ų7054%0.53635%0.346SS..Hα-helixtrans-68.7-41.5175.1-72.7174-175.9177.53.6111.8K129 I167 E168 A169K129-R171 PolarHBondContact NZ-O 3.08Å; I167-R171 WeakPolarHBondContact O-CB 3.2Å; I167-R171 VanDerWaalsContact O-CG 3.29Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 3.41Å; E168-R171 PolarHBondContact O-N 3.2Å; A169-R171 VanDerWaalsContact C-N 3.27Å; A169-R171 PolarHBondContact O-N 3.38Å
172K83.2Confident79.9Confident98 Ų9867.6 Ų67.643%0.42634%0.338SS..Hα-helixtrans-67.6-54.2-178.6-172.9176.8179.8-177.60112T143 E168 A169T143-K172 WeakPolarHBondContact CG2-O 3.19Å; E168-K172 WeakPolarHBondContact O-CB 3.42Å; E168-K172 PolarHBondContact O-N 3.19Å; A169-K172 PolarHBondContact O-N 2.8Å
173Y83.9Confident79.3Confident34 Ų3466.5 Ų66.513%0.13333%0.332CS..Hα-helixtrans-93.2-23.9-171.6-58.1-61.3000114.4T143 E144 F145 A169 I269 A270T143-Y173 HydrophobicContact CG2-CD1 3.96Å; E144-Y173 WeakPolarHBondContact O-CE1 3.5Å; F145-Y173 HydrophobicContact CD1-CD1 4.01Å; F145-Y173 HydrophobicContact CE1-CD1 4.2Å; A169-Y173 HydrophobicContact CB-CD2 4.16Å; A169-Y173 HydrophobicContact CB-CE2 4.33Å; A169-Y173 WeakPolarHBondContact O-CD2 3.23Å; A169-Y173 PolarHBondContact O-N 2.96Å; Y173-I269 HydrophobicContact CD2-CG2 4.18Å; Y173-A270 HydrophobicContact CD1-CB 4.27Å; Y173-A270 HydrophobicContact CD2-CB 4.15Å; Y173-A270 HydrophobicContact CG-CB 3.95Å
174G84.7Confident79.3Confident24 Ų2465.7 Ų65.725%0.24733%0.33CS..  trans78.4175.3-170.600000113.2Q170Q170-G174 WeakPolarHBondContact O-CA 3.48Å; Q170-G174 PolarHBondContact O-N 3.28Å
175L86.1Confident79.4Confident55 Ų5564.6 Ų64.629%0.28832%0.32SS..  trans-84.9162.2177-64.5179000111.4Q170 E177 D266 I269Q170-L175 HydrophobicContact CG-CD2 3.75Å; Q170-L175 HydrophobicContact CG-CG 4.34Å; L175-E177 HydrophobicContact CB-CG 4.09Å; L175-E177 PolarHBondContact O-N 3.31Å; L175-D266 WeakPolarHBondContact CB-O 3.33Å; L175-I269 HydrophobicContact CD2-CG1 4.37Å
176N85.2Confident79.5Confident9 Ų962.4 Ų62.45%0.04832%0.321CS..  trans-8355.2177.5-172.144.2000112.1T265 D266 L268 P286 T368 G369N176-T265 WeakPolarHBondContact CB-O 3.01Å; N176-T265 PolarHBondContact ND2-O 3.15Å; N176-D266 CarbonylContact C-O 3.6Å; N176-D266 PolarHBondContact N-O 3.11Å; N176-D266 WeakPolarHBondContact O-CA 3.43Å; N176-L268 HydrophobicContact CB-CB 3.89Å; N176-L268 WeakPolarHBondContact CB-O 3.18Å; N176-L268 PolarHBondContact N-O 3.42Å; N176-L268 VanDerWaalsContact N-O 3.17Å; N176-P286 PolarHBondContact ND2-O 3.31Å; N176-P286 PolarHBondContact OD1-O 3.03Å; N176-T368 HydrophobicContact CB-CG2 4.04Å; N176-G369 PolarHBondContact OD1-N 3.46Å
177E78.5Confident79.5Confident113 Ų11366.4 Ų66.453%0.52834%0.34SS..  trans-92.5116.1-179.9-67.7179.2-175.500110.8L175 D266L175-E177 HydrophobicContact CB-CG 4.09Å; L175-E177 PolarHBondContact O-N 3.31Å; E177-D266 HydrophobicContact CG-CB 4.4Å
178L70.7Confident79.4Confident31 Ų3163.7 Ų63.716%0.16233%0.326CS..  trans-103.633.1167.2-74.3161.2000110.6S246 L370 L378L178-S246 PolarHBondContact O-OG 3.47Å; L178-L370 HydrophobicContact CD2-CD2 4.39Å; L178-L378 HydrophobicContact CD2-CD2 4.27Å
179H63.9Low79.5Confident89 Ų8961.5 Ų61.541%0.41232%0.315SS..  trans-81.8124.6-175.9-174.1-67.4000111.3R127 D181R127-H179 PolarHBondContact NH1-O 3.02Å; H179-D181 IonicContact CE1-OD1 2.9Å; H179-D181 PolarHBondContact CE1-OD1 3.07Å; H179-D181 PolarHBondContact ND1-N 2.84Å; H179-D181 IonicContact ND1-OD1 2.63Å; H179-D181 PolarHBondContact ND1-OD1 3.14Å; H179-D181 PolarHBondContact O-N 3.32Å
180L65.1Low79.6Confident18 Ų1867.9 Ų67.99%0.09434%0.342CS..  trans-89.296.5172.3-68.8158000109V182 I242 M382L180-V182 PolarHBondContact O-N 3.04Å; L180-I242 HydrophobicContact CD1-CG2 4.02Å; L180-M382 HydrophobicContact CD2-CE 3.31Å; L180-M382 HydrophobicContact CD2-CG 4.45Å; L180-M382 HydrophobicContact CD2-SD 3.34Å; L180-M382 WeakPolarHBondContact CD2-SD 3.36Å
181D62.9Low79.3Confident112 Ų11270.2 Ų70.260%0.59935%0.352SS*.  trans-58.3110.9166.8-62.1-47.1000109.7R127 H179R127-D181 IonicContact NH2-OD2 3.11Å; H179-D181 IonicContact CE1-OD1 2.9Å; H179-D181 PolarHBondContact CE1-OD1 3.07Å; H179-D181 PolarHBondContact ND1-N 2.84Å; H179-D181 IonicContact ND1-OD1 2.63Å; H179-D181 PolarHBondContact ND1-OD1 3.14Å; H179-D181 PolarHBondContact O-N 3.32Å
182V67.5Low79.2Confident47 Ų4766.4 Ų66.429%0.28534%0.338SS..PPolyproline II helixtrans-76.1122173.1-1750000106.1L180 L236 L239L180-V182 PolarHBondContact O-N 3.04Å; V182-L236 HydrophobicContact CG1-CG 4.5Å; V182-L239 HydrophobicContact CG1-CB 4.32Å
183P75.3Confident79.2Confident40 Ų4062.9 Ų62.926%0.2633%0.327SS..PPolyproline II helixtrans-57.9144.3175.325.9-34.3000109.4E187 L188 L239P183-E187 WeakPolarHBondContact CA-OE2 3.44Å; P183-E187 HydrophobicContact CB-CB 4.33Å; P183-L188 HydrophobicContact CB-CD2 4.18Å; P183-L188 HydrophobicContact CB-CG 3.96Å; P183-L188 HydrophobicContact CG-CD1 3.92Å; P183-L188 HydrophobicContact CG-CD2 3.6Å; P183-L188 HydrophobicContact CG-CG 3.64Å; P183-L239 HydrophobicContact CG-CD1 4.03Å
184S84.3Confident79.1Confident56 Ų5662.3 Ų62.339%0.39233%0.327SS..PPolyproline II helixtrans-64.1153.9175.863.90000110.2A186 E187 L188S184-A186 PolarHBondContact O-N 2.92Å; S184-A186 VanDerWaalsContact O-N 3.14Å; S184-E187 PolarHBondContact N-OE2 3.12Å; S184-E187 PolarHBondContact O-N 3.29Å; S184-E187 VanDerWaalsContact OG-CD 3.29Å; S184-E187 VanDerWaalsContact OG-CG 3.25Å; S184-E187 WeakPolarHBondContact OG-CG 3.34Å; S184-E187 PolarHBondContact OG-N 2.8Å; S184-E187 PolarHBondContact OG-OE2 3.38Å; S184-E187 VanDerWaalsContact OG-OE2 3.08Å; S184-L188 PolarHBondContact O-N 3.41Å; S184-L188 VanDerWaalsContact O-N 3.13Å
185F86.2Confident78.9Confident95 Ų9562.3 Ų62.342%0.41733%0.325SS..Hα-helixtrans-50.7-39.6173.8177.6-89.1000111.5F189 A229 V232 L236F185-F189 HydrophobicContact CE1-CB 4.25Å; F185-F189 HydrophobicContact CE1-CG 4.45Å; F185-F189 HydrophobicContact CZ-CD2 4.46Å; F185-F189 WeakPolarHBondContact O-CB 3.43Å; F185-F189 PolarHBondContact O-N 3.43Å; F185-A229 HydrophobicContact CZ-CB 4.03Å; F185-V232 HydrophobicContact CD2-CB 4.41Å; F185-V232 HydrophobicContact CD2-CG1 3.54Å; F185-V232 HydrophobicContact CE2-CB 3.96Å; F185-V232 HydrophobicContact CE2-CG1 3.58Å; F185-V232 HydrophobicContact CG-CG1 4.27Å; F185-V232 HydrophobicContact CZ-CG1 4.33Å; F185-L236 HydrophobicContact CB-CD1 4.36Å
186A86.7Confident78.6Confident68 Ų6861.7 Ų61.756%0.56232%0.324SS*.Hα-helixtrans-65.6-36.8179.100000113.5S184 K190S184-A186 PolarHBondContact O-N 2.92Å; S184-A186 VanDerWaalsContact O-N 3.14Å; A186-K190 VanDerWaalsContact O-CB 3.22Å; A186-K190 WeakPolarHBondContact O-CB 3.49Å; A186-K190 PolarHBondContact O-N 2.64Å
187E84.4Confident78.2Confident117 Ų11762 Ų6255%0.54733%0.325SS..Hα-helixtrans-70.4-45.4177.5-74.2163.8157.800111.7P183 S184 K190 E191P183-E187 WeakPolarHBondContact CA-OE2 3.44Å; P183-E187 HydrophobicContact CB-CB 4.33Å; S184-E187 PolarHBondContact N-OE2 3.12Å; S184-E187 PolarHBondContact O-N 3.29Å; S184-E187 VanDerWaalsContact OG-CD 3.29Å; S184-E187 VanDerWaalsContact OG-CG 3.25Å; S184-E187 WeakPolarHBondContact OG-CG 3.34Å; S184-E187 PolarHBondContact OG-N 2.8Å; S184-E187 PolarHBondContact OG-OE2 3.38Å; S184-E187 VanDerWaalsContact OG-OE2 3.08Å; E187-K190 WeakPolarHBondContact O-CB 3.43Å; E187-K190 PolarHBondContact O-N 3.14Å; E187-E191 PolarHBondContact O-N 3.19Å
188L82.1Confident78.4Confident6 Ų657.5 Ų57.53%0.03130%0.304CS..Hα-helixtrans-63.5-43.6175.5-72.7176.1000111.4P183 S184 K190 E191 R192 V232 L236 L239P183-L188 HydrophobicContact CB-CD2 4.18Å; P183-L188 HydrophobicContact CB-CG 3.96Å; P183-L188 HydrophobicContact CG-CD1 3.92Å; P183-L188 HydrophobicContact CG-CD2 3.6Å; P183-L188 HydrophobicContact CG-CG 3.64Å; S184-L188 PolarHBondContact O-N 3.41Å; S184-L188 VanDerWaalsContact O-N 3.13Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 2.86Å; L188-E191 PolarHBondContact O-N 3.14Å; L188-R192 WeakPolarHBondContact O-CG 3.31Å; L188-R192 PolarHBondContact O-N 2.73Å; L188-R192 VanDerWaalsContact O-N 3.08Å; L188-V232 HydrophobicContact CB-CG1 3.64Å; L188-V232 HydrophobicContact CD1-CG1 4.25Å; L188-L236 HydrophobicContact CD1-CB 4.4Å; L188-L239 HydrophobicContact CD1-CD1 4.26Å
189F86.8Confident79Confident56 Ų5657.7 Ų57.725%0.24631%0.306CS..Hα-helixtrans-64.2-37.7176.4-172.8-98.1000111.4F185 R192 A193 E228 A229 V232F185-F189 HydrophobicContact CE1-CB 4.25Å; F185-F189 HydrophobicContact CE1-CG 4.45Å; F185-F189 HydrophobicContact CZ-CD2 4.46Å; F185-F189 WeakPolarHBondContact O-CB 3.43Å; F185-F189 PolarHBondContact O-N 3.43Å; F189-R192 PolarHBondContact O-N 3Å; F189-A193 HydrophobicContact CD1-CB 4.44Å; F189-A193 HydrophobicContact CE1-CB 4.24Å; F189-A193 WeakPolarHBondContact O-CB 3.24Å; F189-A193 PolarHBondContact O-N 2.84Å; F189-E228 HydrophobicContact CE2-CB 4.08Å; F189-A229 HydrophobicContact CE2-CB 4.36Å; F189-V232 HydrophobicContact CB-CG2 4.35Å; F189-V232 HydrophobicContact CD2-CG2 4.23Å
190K85.9Confident80Confident140 Ų14056.1 Ų56.161%0.60930%0.298SS*.Hα-helixtrans-61.9-44.3173.7-178.6180178.5179.60111.8A186 E187 L188 R192 A193 T194A186-K190 VanDerWaalsContact O-CB 3.22Å; A186-K190 WeakPolarHBondContact O-CB 3.49Å; A186-K190 PolarHBondContact O-N 2.64Å; E187-K190 WeakPolarHBondContact O-CB 3.43Å; E187-K190 PolarHBondContact O-N 3.14Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 2.86Å; K190-R192 VanDerWaalsContact C-N 3.27Å; K190-R192 PolarHBondContact O-N 2.72Å; K190-A193 PolarHBondContact O-N 2.97Å; K190-T194 HydrophobicContact CG-CG2 4.37Å; K190-T194 WeakPolarHBondContact O-CB 3.09Å; K190-T194 VanDerWaalsContact O-CG2 3.26Å; K190-T194 WeakPolarHBondContact O-CG2 3.14Å; K190-T194 PolarHBondContact O-N 2.88Å; K190-T194 PolarHBondContact O-OG1 3.45Å
191E80.4Confident80.8Confident124 Ų12455.6 Ų55.658%0.57930%0.295SS*.Hα-helixtrans-61.8-35.4177.1-172-177.5168.600112.3E187 L188 T194E187-E191 PolarHBondContact O-N 3.19Å; L188-E191 PolarHBondContact O-N 3.14Å; E191-T194 PolarHBondContact O-OG1 3.4Å; E191-T194 VanDerWaalsContact O-OG1 3.09Å
192R79.1Confident81.9Confident63 Ų6353 Ų5324%0.23828%0.284CS..Hα-helixtrans-75.3-44.1175-66.3-65.8179175.2-0.1112.6L188 F189 K190 T194 A195 V232L188-R192 WeakPolarHBondContact O-CG 3.31Å; L188-R192 PolarHBondContact O-N 2.73Å; L188-R192 VanDerWaalsContact O-N 3.08Å; F189-R192 PolarHBondContact O-N 3Å; K190-R192 VanDerWaalsContact C-N 3.27Å; K190-R192 PolarHBondContact O-N 2.72Å; R192-T194 PolarHBondContact O-N 3.2Å; R192-A195 WeakPolarHBondContact O-CB 3.11Å; R192-A195 PolarHBondContact O-N 3Å; R192-V232 HydrophobicContact CB-CG2 4.38Å; R192-V232 HydrophobicContact CG-CG2 3.84Å
193A83Confident82.8Confident24 Ų2453.8 Ų53.820%0.19828%0.283CS..Hα-helixtrans-66.3-25.8177.800000112.3F189 K190 A195 F198F189-A193 HydrophobicContact CD1-CB 4.44Å; F189-A193 HydrophobicContact CE1-CB 4.24Å; F189-A193 WeakPolarHBondContact O-CB 3.24Å; F189-A193 PolarHBondContact O-N 2.84Å; K190-A193 PolarHBondContact O-N 2.97Å; A193-A195 VanDerWaalsContact C-N 3.29Å; A193-F198 HydrophobicContact CB-CD1 4.11Å; A193-F198 HydrophobicContact CB-CE1 3.86Å; A193-F198 HydrophobicContact CB-CZ 4.44Å; A193-F198 WeakPolarHBondContact O-CD1 3.4Å
194T83.3Confident83.1Confident22 Ų2252.3 Ų52.314%0.13527%0.274CS..THydrogen-bonded Turntrans-83.1-2.3171.258.40000112.7L68 H71 W72 K190 E191 R192L68-T194 HydrophobicContact CD2-CG2 4.41Å; H71-T194 PolarHBondContact CD2-OG1 3.44Å; H71-T194 PolarHBondContact NE2-OG1 3.21Å; W72-T194 PolarHBondContact NE1-O 3.26Å; K190-T194 HydrophobicContact CG-CG2 4.37Å; K190-T194 WeakPolarHBondContact O-CB 3.09Å; K190-T194 VanDerWaalsContact O-CG2 3.26Å; K190-T194 WeakPolarHBondContact O-CG2 3.14Å; K190-T194 PolarHBondContact O-N 2.88Å; K190-T194 PolarHBondContact O-OG1 3.45Å; E191-T194 PolarHBondContact O-OG1 3.4Å; E191-T194 VanDerWaalsContact O-OG1 3.09Å; R192-T194 PolarHBondContact O-N 3.2Å
195A79.7Confident83Confident24 Ų2450 Ų5020%0.19826%0.258CS..SBendtrans-60.7141.4178.900000111R192 A193 F197 F198 V199R192-A195 WeakPolarHBondContact O-CB 3.11Å; R192-A195 PolarHBondContact O-N 3Å; A193-A195 VanDerWaalsContact C-N 3.29Å; A195-F197 VanDerWaalsContact C-N 3.29Å; A195-F197 PolarHBondContact O-N 3.44Å; A195-F198 HydrophobicContact CB-CB 4.49Å; A195-F198 PolarHBondContact O-N 3.18Å; A195-F198 VanDerWaalsContact O-N 3.08Å; A195-V199 PolarHBondContact O-N 2.84Å
196P79.1Confident82.9Confident41 Ų4147.3 Ų47.327%0.26626%0.256SS..Hα-helixtrans-53.7-41.2-175.1-27.532.6000114.5W72 F200W72-P196 HydrophobicContact CD2-CG 4Å; W72-P196 HydrophobicContact CE3-CG 4.44Å; W72-P196 HydrophobicContact CG-CG 4.38Å; W72-P196 HydrophobicContact CH2-CB 4.21Å; W72-P196 HydrophobicContact CH2-CG 4.45Å; W72-P196 HydrophobicContact CZ2-CB 4.03Å; W72-P196 HydrophobicContact CZ2-CG 4Å; P196-F200 VanDerWaalsContact O-CB 3.3Å; P196-F200 WeakPolarHBondContact O-CB 3.31Å; P196-F200 PolarHBondContact O-N 2.85Å
197F78.4Confident82.7Confident15 Ų1544.9 Ų44.97%0.06623%0.233CC..Hα-helixtrans-67-43.1178.1-79.1-81.7000112.8A195 F200 Q201 N391 F396 I399 I440A195-F197 VanDerWaalsContact C-N 3.29Å; A195-F197 PolarHBondContact O-N 3.44Å; F197-F200 PolarHBondContact O-N 3.09Å; F197-Q201 WeakPolarHBondContact O-CB 3.3Å; F197-Q201 WeakPolarHBondContact O-CG 3.47Å; F197-Q201 PolarHBondContact O-N 2.82Å; F197-N391 HydrophobicContact CD2-CB 4.46Å; F197-N391 VanDerWaalsContact CD2-CG 3.5Å; F197-N391 WeakPolarHBondContact CD2-OD1 3.37Å; F197-N391 HydrophobicContact CE2-CB 4.21Å; F197-N391 WeakPolarHBondContact CE2-OD1 3.27Å; F197-F396 HydrophobicContact CD2-CZ 4.31Å; F197-F396 AromaticContact CE2-CE1 3.76Å; F197-F396 HydrophobicContact CE2-CE1 3.76Å; F197-F396 HydrophobicContact CE2-CE2 4.22Å; F197-F396 AromaticContact CE2-CZ 3.55Å; F197-F396 HydrophobicContact CE2-CZ 3.55Å; F197-F396 HydrophobicContact CZ-CD1 4.31Å; F197-F396 AromaticContact CZ-CE1 3.83Å; F197-F396 HydrophobicContact CZ-CE1 3.83Å; F197-F396 HydrophobicContact CZ-CZ 4.09Å; F197-I399 HydrophobicContact CE1-CD1 3.49Å; F197-I399 VanDerWaalsContact CE1-CD1 3.49Å; F197-I399 HydrophobicContact CZ-CD1 3.62Å; F197-I440 HydrophobicContact CD1-CG2 4.41Å; F197-I440 HydrophobicContact CE1-CG2 4.45Å
198F81.4Confident82.4Confident19 Ų1941.5 Ų41.58%0.08322%0.216CC..Hα-helixtrans-64.2-45.6178.9-176.1-87.6000111.1A193 A195 F200 Q201 V202 L224 E228A193-F198 HydrophobicContact CB-CD1 4.11Å; A193-F198 HydrophobicContact CB-CE1 3.86Å; A193-F198 HydrophobicContact CB-CZ 4.44Å; A193-F198 WeakPolarHBondContact O-CD1 3.4Å; A195-F198 HydrophobicContact CB-CB 4.49Å; A195-F198 PolarHBondContact O-N 3.18Å; A195-F198 VanDerWaalsContact O-N 3.08Å; F198-F200 VanDerWaalsContact C-N 3.29Å; F198-F200 PolarHBondContact O-N 2.92Å; F198-Q201 PolarHBondContact O-N 3.2Å; F198-V202 HydrophobicContact CD1-CG2 3.85Å; F198-V202 HydrophobicContact CE1-CG2 3.51Å; F198-V202 HydrophobicContact CZ-CG2 3.93Å; F198-V202 WeakPolarHBondContact O-CG2 3.49Å; F198-V202 PolarHBondContact O-N 2.98Å; F198-L224 HydrophobicContact CD2-CD1 4.35Å; F198-L224 HydrophobicContact CD2-CD2 3.84Å; F198-L224 HydrophobicContact CD2-CG 3.96Å; F198-L224 HydrophobicContact CE2-CD2 3.71Å; F198-L224 HydrophobicContact CE2-CG 3.72Å; F198-L224 HydrophobicContact CZ-CD2 4.42Å; F198-E228 HydrophobicContact CD2-CG 3.78Å; F198-E228 HydrophobicContact CE2-CG 3.88Å
199V84.5Confident82.3Confident35 Ų3544.1 Ų44.121%0.21223%0.234CC..Hα-helixtrans-58.4-44.4175.3174.10000110.7L68 W72 A195 V202 F203L68-V199 HydrophobicContact CD1-CB 4.36Å; L68-V199 HydrophobicContact CD1-CG1 3.55Å; L68-V199 HydrophobicContact CD1-CG2 3.96Å; W72-V199 HydrophobicContact CZ2-CG2 4.37Å; A195-V199 PolarHBondContact O-N 2.84Å; V199-V202 PolarHBondContact O-N 2.72Å; V199-F203 WeakPolarHBondContact O-CB 3.28Å; V199-F203 PolarHBondContact O-N 2.86Å
200F84.1Confident81.9Confident56 Ų5645.9 Ų45.925%0.24625%0.245CC..Hα-helixtrans-63.6-39.4177.8-178-87.7000112.6P196 F197 F198 F203 S204 T437 I440P196-F200 VanDerWaalsContact O-CB 3.3Å; P196-F200 WeakPolarHBondContact O-CB 3.31Å; P196-F200 PolarHBondContact O-N 2.85Å; F197-F200 PolarHBondContact O-N 3.09Å; F198-F200 VanDerWaalsContact C-N 3.29Å; F198-F200 PolarHBondContact O-N 2.92Å; F200-F203 WeakPolarHBondContact O-CB 3.33Å; F200-F203 PolarHBondContact O-N 3Å; F200-S204 VanDerWaalsContact CE1-OG 3.25Å; F200-S204 WeakPolarHBondContact CE1-OG 3.25Å; F200-S204 PolarHBondContact O-N 3.43Å; F200-S204 PolarHBondContact O-OG 3.04Å; F200-T437 HydrophobicContact CE2-CG2 4.42Å; F200-T437 HydrophobicContact CZ-CG2 3.86Å; F200-I440 HydrophobicContact CD1-CB 4.08Å; F200-I440 HydrophobicContact CD1-CD1 3.8Å; F200-I440 HydrophobicContact CD1-CG2 3.73Å; F200-I440 HydrophobicContact CD2-CD1 4.19Å; F200-I440 HydrophobicContact CE1-CB 3.52Å; F200-I440 HydrophobicContact CE1-CD1 3.3Å; F200-I440 HydrophobicContact CE1-CG1 3.95Å; F200-I440 HydrophobicContact CE1-CG2 3.73Å; F200-I440 HydrophobicContact CE2-CD1 3.7Å; F200-I440 HydrophobicContact CG-CD1 4.24Å; F200-I440 HydrophobicContact CZ-CB 4.24Å; F200-I440 HydrophobicContact CZ-CD1 3.24Å; F200-I440 HydrophobicContact CZ-CG1 4.22Å
201Q82.4Confident81.3Confident7 Ų740 Ų403%0.03322%0.22CC..Hα-helixtrans-68-44.6177.4-73.8167.6-18.200111.7F197 F198 F203 S204 V205 L224 Q442F197-Q201 WeakPolarHBondContact O-CB 3.3Å; F197-Q201 WeakPolarHBondContact O-CG 3.47Å; F197-Q201 PolarHBondContact O-N 2.82Å; F198-Q201 PolarHBondContact O-N 3.2Å; Q201-F203 VanDerWaalsContact C-N 3.25Å; Q201-F203 PolarHBondContact O-N 3.25Å; Q201-S204 WeakPolarHBondContact O-CB 3.46Å; Q201-S204 PolarHBondContact O-N 3.17Å; Q201-S204 VanDerWaalsContact O-N 3.08Å; Q201-V205 WeakPolarHBondContact O-CG2 3.21Å; Q201-V205 PolarHBondContact O-N 2.93Å; Q201-L224 HydrophobicContact CB-CD2 3.87Å; Q201-Q442 HydrophobicContact CG-CB 4.47Å; Q201-Q442 PolarHBondContact NE2-O 3.41Å
202V85.8Confident80.7Confident59 Ų5938.6 Ų38.636%0.35821%0.214SC..Hα-helixtrans-60-39.5173.8173.30000110.8F198 V199 V205 G206 L221 L224F198-V202 HydrophobicContact CD1-CG2 3.85Å; F198-V202 HydrophobicContact CE1-CG2 3.51Å; F198-V202 HydrophobicContact CZ-CG2 3.93Å; F198-V202 WeakPolarHBondContact O-CG2 3.49Å; F198-V202 PolarHBondContact O-N 2.98Å; V199-V202 PolarHBondContact O-N 2.72Å; V202-V205 PolarHBondContact O-N 2.74Å; V202-G206 PolarHBondContact O-N 3.37Å; V202-L221 HydrophobicContact CG2-CD1 4.08Å; V202-L224 HydrophobicContact CG2-CD2 4.38Å
203F85.5Confident80.1Confident63 Ų6338.1 Ų38.128%0.27621%0.213SC..Hα-helixtrans-62.6-43.1172.9174-109.4000112.2F61 V199 F200 Q201 G206 L207 T437F61-F203 AromaticContact CD2-CD2 3.95Å; F61-F203 HydrophobicContact CD2-CD2 3.95Å; F61-F203 AromaticContact CD2-CE2 3.9Å; F61-F203 HydrophobicContact CD2-CE2 3.9Å; F61-F203 HydrophobicContact CE1-CE2 4.14Å; F61-F203 HydrophobicContact CE1-CZ 4.12Å; F61-F203 HydrophobicContact CE2-CB 4.39Å; F61-F203 HydrophobicContact CE2-CD1 4.45Å; F61-F203 AromaticContact CE2-CD2 3.22Å; F61-F203 HydrophobicContact CE2-CD2 3.22Å; F61-F203 AromaticContact CE2-CE2 3.44Å; F61-F203 HydrophobicContact CE2-CE2 3.44Å; F61-F203 VanDerWaalsContact CE2-CE2 3.44Å; F61-F203 AromaticContact CE2-CG 3.77Å; F61-F203 HydrophobicContact CE2-CG 3.77Å; F61-F203 HydrophobicContact CE2-CZ 4.15Å; F61-F203 HydrophobicContact CG-CE2 4.44Å; F61-F203 HydrophobicContact CZ-CD1 4.07Å; F61-F203 AromaticContact CZ-CD2 3.61Å; F61-F203 HydrophobicContact CZ-CD2 3.61Å; F61-F203 HydrophobicContact CZ-CE1 4.02Å; F61-F203 AromaticContact CZ-CE2 3.55Å; F61-F203 HydrophobicContact CZ-CE2 3.55Å; F61-F203 AromaticContact CZ-CG 3.86Å; F61-F203 HydrophobicContact CZ-CG 3.86Å; F61-F203 AromaticContact CZ-CZ 3.77Å; F61-F203 HydrophobicContact CZ-CZ 3.77Å; V199-F203 WeakPolarHBondContact O-CB 3.28Å; V199-F203 PolarHBondContact O-N 2.86Å; F200-F203 WeakPolarHBondContact O-CB 3.33Å; F200-F203 PolarHBondContact O-N 3Å; Q201-F203 VanDerWaalsContact C-N 3.25Å; Q201-F203 PolarHBondContact O-N 3.25Å; F203-G206 WeakPolarHBondContact O-CA 3.34Å; F203-G206 PolarHBondContact O-N 3.19Å; F203-G206 VanDerWaalsContact O-N 3.11Å; F203-L207 HydrophobicContact CD1-CD1 4.16Å; F203-L207 HydrophobicContact CE1-CD1 3.58Å; F203-L207 HydrophobicContact CE1-CG 4.16Å; F203-L207 HydrophobicContact CE2-CD2 4.26Å; F203-L207 HydrophobicContact CE2-CG 4.3Å; F203-L207 HydrophobicContact CZ-CD1 3.81Å; F203-L207 HydrophobicContact CZ-CD2 4.02Å; F203-L207 HydrophobicContact CZ-CG 4.01Å; F203-L207 PolarHBondContact O-N 2.97Å; F203-T437 HydrophobicContact CE1-CG2 4.46Å
204S81.1Confident79.7Confident8 Ų845.5 Ų45.56%0.05624%0.235CC..Hα-helixtrans-63.9-41.9178.1-57.30000112.2F200 Q201 G206 L207 W208F200-S204 VanDerWaalsContact CE1-OG 3.25Å; F200-S204 WeakPolarHBondContact CE1-OG 3.25Å; F200-S204 PolarHBondContact O-N 3.43Å; F200-S204 PolarHBondContact O-OG 3.04Å; Q201-S204 WeakPolarHBondContact O-CB 3.46Å; Q201-S204 PolarHBondContact O-N 3.17Å; Q201-S204 VanDerWaalsContact O-N 3.08Å; S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 3.28Å; S204-L207 WeakPolarHBondContact O-CB 3.49Å; S204-L207 PolarHBondContact O-N 3.01Å; S204-W208 PolarHBondContact O-N 3.16Å
205V83.6Confident79.5Confident9 Ų947 Ų476%0.05525%0.245CC..Hα-helixtrans-58.4-43.1170.8167.80000110.7Q201 V202 L207 W208 C209 P217 L221Q201-V205 WeakPolarHBondContact O-CG2 3.21Å; Q201-V205 PolarHBondContact O-N 2.93Å; V202-V205 PolarHBondContact O-N 2.74Å; V205-L207 VanDerWaalsContact C-N 3.32Å; V205-L207 PolarHBondContact O-N 3.11Å; V205-W208 HydrophobicContact CG2-CE3 4.18Å; V205-W208 HydrophobicContact CG2-CZ3 4.18Å; V205-W208 PolarHBondContact O-N 3.39Å; V205-C209 PolarHBondContact O-N 3.19Å; V205-C209 PolarHBondContact O-SG 3.41Å; V205-C209 VanDerWaalsContact O-SG 3.33Å; V205-P217 HydrophobicContact CG1-CB 3.84Å; V205-L221 HydrophobicContact CG1-CB 4.03Å; V205-L221 HydrophobicContact CG1-CD1 4.5Å; V205-L221 HydrophobicContact CG1-CD2 4.43Å
206G82.7Confident79.3Confident37 Ų3748.4 Ų48.438%0.38125%0.245SC..Hα-helixtrans-60.3-39175.800000113.1V202 F203 S204 C209 L210V202-G206 PolarHBondContact O-N 3.37Å; F203-G206 WeakPolarHBondContact O-CA 3.34Å; F203-G206 PolarHBondContact O-N 3.19Å; F203-G206 VanDerWaalsContact O-N 3.11Å; S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 3.28Å; G206-C209 PolarHBondContact O-N 3.01Å; G206-L210 PolarHBondContact O-N 3.15Å
207L83.3Confident79.4Confident17 Ų1746.5 Ų46.59%0.08923%0.233CC..Hα-helixtrans-67.1-38.3174.1-66.1175.1000112.2F203 S204 V205 C209 L210 L430 T433 L434 T437F203-L207 HydrophobicContact CD1-CD1 4.16Å; F203-L207 HydrophobicContact CE1-CD1 3.58Å; F203-L207 HydrophobicContact CE1-CG 4.16Å; F203-L207 HydrophobicContact CE2-CD2 4.26Å; F203-L207 HydrophobicContact CE2-CG 4.3Å; F203-L207 HydrophobicContact CZ-CD1 3.81Å; F203-L207 HydrophobicContact CZ-CD2 4.02Å; F203-L207 HydrophobicContact CZ-CG 4.01Å; F203-L207 PolarHBondContact O-N 2.97Å; S204-L207 WeakPolarHBondContact O-CB 3.49Å; S204-L207 PolarHBondContact O-N 3.01Å; V205-L207 VanDerWaalsContact C-N 3.32Å; V205-L207 PolarHBondContact O-N 3.11Å; L207-C209 VanDerWaalsContact C-N 3.32Å; L207-C209 PolarHBondContact O-N 3.3Å; L207-L210 HydrophobicContact CD2-CD1 4.38Å; L207-L210 WeakPolarHBondContact O-CB 3.3Å; L207-L210 PolarHBondContact O-N 3.3Å; L207-L210 VanDerWaalsContact O-N 3.11Å; L207-L430 HydrophobicContact CD2-CD1 4.29Å; L207-T433 HydrophobicContact CD1-CG2 3.71Å; L207-T433 HydrophobicContact CD2-CG2 4.48Å; L207-L434 HydrophobicContact CB-CD2 3.59Å; L207-T437 HydrophobicContact CD1-CG2 3.65Å
208W79.2Confident79.7Confident46 Ų4650.3 Ų50.317%0.17425%0.253CS..Hα-helixtrans-65.2-35.9175.4-64-32.4000112.8S204 V205 L210 D211 Y216 P217 A220 L434 Q442S204-W208 PolarHBondContact O-N 3.16Å; V205-W208 HydrophobicContact CG2-CE3 4.18Å; V205-W208 HydrophobicContact CG2-CZ3 4.18Å; V205-W208 PolarHBondContact O-N 3.39Å; W208-L210 PolarHBondContact O-N 2.98Å; W208-D211 PolarHBondContact O-N 3.48Å; W208-Y216 HydrophobicContact CD2-CE1 4.32Å; W208-Y216 HydrophobicContact CE3-CD1 4.33Å; W208-Y216 AromaticContact CE3-CE1 3.81Å; W208-Y216 HydrophobicContact CE3-CE1 3.81Å; W208-Y216 HydrophobicContact CH2-CE1 4.2Å; W208-Y216 AromaticContact CZ3-CE1 3.74Å; W208-Y216 HydrophobicContact CZ3-CE1 3.74Å; W208-P217 HydrophobicContact CB-CB 3.98Å; W208-P217 HydrophobicContact CB-CG 3.36Å; W208-P217 HydrophobicContact CE3-CB 4.25Å; W208-P217 HydrophobicContact CE3-CG 4.29Å; W208-P217 HydrophobicContact CG-CG 4.33Å; W208-A220 HydrophobicContact CZ3-CB 4.49Å; W208-L434 HydrophobicContact CG-CD2 4.39Å; W208-Q442 VanDerWaalsContact CZ3-OE1 3.25Å
209C79.2Confident79.7Confident61 Ų6153.8 Ų53.841%0.41227%0.272SS..Hα-helixtrans-62.3-23.2173.5-680000113V205 G206 L207V205-C209 PolarHBondContact O-N 3.19Å; V205-C209 PolarHBondContact O-SG 3.41Å; V205-C209 VanDerWaalsContact O-SG 3.33Å; G206-C209 PolarHBondContact O-N 3.01Å; L207-C209 VanDerWaalsContact C-N 3.32Å; L207-C209 PolarHBondContact O-N 3.3Å
210L78.4Confident79.4Confident93 Ų9352.9 Ų52.949%0.48727%0.268SS..Hα-helixtrans-78.6-20.6175.4-64.7175.3000112.8G206 L207 W208 E212 L430G206-L210 PolarHBondContact O-N 3.15Å; L207-L210 HydrophobicContact CD2-CD1 4.38Å; L207-L210 WeakPolarHBondContact O-CB 3.3Å; L207-L210 PolarHBondContact O-N 3.3Å; L207-L210 VanDerWaalsContact O-N 3.11Å; W208-L210 PolarHBondContact O-N 2.98Å; L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 3Å; L210-L430 HydrophobicContact CB-CD1 3.95Å; L210-L430 HydrophobicContact CB-CD2 3.83Å; L210-L430 HydrophobicContact CD1-CD1 4.1Å
211D73.4Confident79.4Confident16 Ų1652.8 Ų52.89%0.08627%0.27CS..THydrogen-bonded Turntrans-93.130.5-178.4-168.739.3000113.5W208 Y213 L430 L434W208-D211 PolarHBondContact O-N 3.48Å; D211-Y213 HydrophobicContact CB-CD2 4.4Å; D211-Y213 VanDerWaalsContact O-CD2 3.24Å; D211-Y213 WeakPolarHBondContact O-CD2 3.22Å; D211-Y213 PolarHBondContact O-N 3.32Å; D211-Y213 VanDerWaalsContact O-N 3.07Å; D211-Y213 WeakPolarHBondContact OD2-CE2 3.25Å; D211-L430 HydrophobicContact CB-CD2 3.9Å; D211-L434 HydrophobicContact CB-CD1 3.91Å
212E68.1Low79.6Confident96 Ų9654 Ų5445%0.44928%0.284SS..THydrogen-bonded Turntrans68.6-3.7176.2-54.6162.515700115.5L210 K427 K980 H1060L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 3Å; E212-K427 IonicContact OE1-NZ 3.37Å; E212-K427 IonicContact OE2-NZ 3.15Å; E212-K427 PolarHBondContact OE2-NZ 3.45Å; E212-K980 IonicContact OE2-NZ 3.21Å; E212-K980 PolarHBondContact OE2-NZ 2.72Å; E212-H1060 IonicContact OE1-CE1 3.63Å; E212-H1060 IonicContact OE1-ND1 2.81Å; E212-H1060 PolarHBondContact OE1-ND1 2.82Å
213Y65.1Low79.3Confident52 Ų5255.4 Ų55.420%0.20429%0.288CS..  trans-89.8105.8172.8-59.1-77.9000111.2D211 P217 K980 I981 D983D211-Y213 HydrophobicContact CB-CD2 4.4Å; D211-Y213 VanDerWaalsContact O-CD2 3.24Å; D211-Y213 WeakPolarHBondContact O-CD2 3.22Å; D211-Y213 PolarHBondContact O-N 3.32Å; D211-Y213 VanDerWaalsContact O-N 3.07Å; D211-Y213 WeakPolarHBondContact OD2-CE2 3.25Å; Y213-P217 VanDerWaalsContact O-CD 3.24Å; Y213-P217 WeakPolarHBondContact O-CD 3.23Å; Y213-P217 WeakPolarHBondContact O-CG 3.42Å; Y213-K980 WeakPolarHBondContact OH-CB 3.2Å; Y213-K980 VanDerWaalsContact OH-CD 3.31Å; Y213-K980 WeakPolarHBondContact OH-CD 3.24Å; Y213-K980 VanDerWaalsContact OH-CG 3.25Å; Y213-K980 WeakPolarHBondContact OH-CG 3.29Å; Y213-I981 PolarHBondContact OH-O 3.37Å; Y213-D983 VanDerWaalsContact CD1-OD1 3.22Å; Y213-D983 WeakPolarHBondContact CD1-OD1 3.36Å
214W74.4Confident79.1Confident179 Ų17953.8 Ų53.868%0.67828%0.282SS*.  trans-98.3-30.6179.260-78000113.5L218W214-L218 HydrophobicContact CE3-CD1 4.18Å; W214-L218 WeakPolarHBondContact O-CB 3.14Å; W214-L218 VanDerWaalsContact O-CD1 3.27Å; W214-L218 WeakPolarHBondContact O-CD1 3.3Å; W214-L218 WeakPolarHBondContact O-CG 3.34Å; W214-L218 PolarHBondContact O-N 2.95Å
215V79.7Confident79.3Confident55 Ų5555.5 Ų55.533%0.33329%0.294SS..Hα-helixtrans-73.2-53.2-173.4-178.50000112.1L218 I219V215-L218 PolarHBondContact O-N 3.47Å; V215-I219 HydrophobicContact CG1-CD1 3.84Å; V215-I219 WeakPolarHBondContact O-CG1 3.46Å; V215-I219 PolarHBondContact O-N 3.49Å; V215-I219 VanDerWaalsContact O-N 3.09Å
216Y76.9Confident79.4Confident53 Ų5360.9 Ų60.921%0.20832%0.321CS..Hα-helixtrans-59.5-48.7-178.1167.5-98.2000113W208 L218 I219 A220 Q442W208-Y216 HydrophobicContact CD2-CE1 4.32Å; W208-Y216 HydrophobicContact CE3-CD1 4.33Å; W208-Y216 AromaticContact CE3-CE1 3.81Å; W208-Y216 HydrophobicContact CE3-CE1 3.81Å; W208-Y216 HydrophobicContact CH2-CE1 4.2Å; W208-Y216 AromaticContact CZ3-CE1 3.74Å; W208-Y216 HydrophobicContact CZ3-CE1 3.74Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 3.11Å; Y216-I219 PolarHBondContact O-N 2.94Å; Y216-A220 WeakPolarHBondContact O-CB 3.33Å; Y216-A220 PolarHBondContact O-N 3.08Å; Y216-Q442 PolarHBondContact OH-NE2 3.47Å
217P80.3Confident79.1Confident0 Ų062.5 Ų62.50%032%0.318CS..Hα-helixtrans-65.8-34.4-179.7-25.138.9000113.3V205 W208 Y213 A220 L221V205-P217 HydrophobicContact CG1-CB 3.84Å; W208-P217 HydrophobicContact CB-CB 3.98Å; W208-P217 HydrophobicContact CB-CG 3.36Å; W208-P217 HydrophobicContact CE3-CB 4.25Å; W208-P217 HydrophobicContact CE3-CG 4.29Å; W208-P217 HydrophobicContact CG-CG 4.33Å; Y213-P217 VanDerWaalsContact O-CD 3.24Å; Y213-P217 WeakPolarHBondContact O-CD 3.23Å; Y213-P217 WeakPolarHBondContact O-CG 3.42Å; P217-A220 PolarHBondContact O-N 3.09Å; P217-L221 VanDerWaalsContact O-CB 3.31Å; P217-L221 WeakPolarHBondContact O-CB 3.38Å; P217-L221 PolarHBondContact O-N 3.1Å
218L84.2Confident79Confident96 Ų9663 Ų6350%0.50332%0.32SS..Hα-helixtrans-66.7-40.4175.8-73.6175.2000112.1W214 V215 Y216 G222W214-L218 HydrophobicContact CE3-CD1 4.18Å; W214-L218 WeakPolarHBondContact O-CB 3.14Å; W214-L218 VanDerWaalsContact O-CD1 3.27Å; W214-L218 WeakPolarHBondContact O-CD1 3.3Å; W214-L218 WeakPolarHBondContact O-CG 3.34Å; W214-L218 PolarHBondContact O-N 2.95Å; V215-L218 PolarHBondContact O-N 3.47Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 3.11Å; L218-G222 PolarHBondContact O-N 2.85Å
219I82.5Confident79.3Confident92 Ų9262.1 Ų62.147%0.47232%0.322SS..Hα-helixtrans-64.9-45.8174.1-66.8171.3000110.2V215 Y216 L221 G222 M223V215-I219 HydrophobicContact CG1-CD1 3.84Å; V215-I219 WeakPolarHBondContact O-CG1 3.46Å; V215-I219 PolarHBondContact O-N 3.49Å; V215-I219 VanDerWaalsContact O-N 3.09Å; Y216-I219 PolarHBondContact O-N 2.94Å; I219-L221 VanDerWaalsContact C-N 3.34Å; I219-L221 PolarHBondContact O-N 3.18Å; I219-G222 PolarHBondContact O-N 2.89Å; I219-M223 HydrophobicContact CG2-CG 4.41Å; I219-M223 WeakPolarHBondContact O-CG 3.44Å; I219-M223 PolarHBondContact O-N 3.29Å
220A77.5Confident79.2Confident16 Ų1662 Ų6213%0.13232%0.322CS..Hα-helixtrans-59.2-44.2177.700000111.9W208 Y216 P217 M223 L224W208-A220 HydrophobicContact CZ3-CB 4.49Å; Y216-A220 WeakPolarHBondContact O-CB 3.33Å; Y216-A220 PolarHBondContact O-N 3.08Å; P217-A220 PolarHBondContact O-N 3.09Å; A220-M223 PolarHBondContact O-N 2.87Å; A220-L224 WeakPolarHBondContact O-CB 3.33Å; A220-L224 PolarHBondContact O-N 3.38Å
221L85Confident78.9Confident53 Ų5358.9 Ų58.928%0.27731%0.306SS..Hα-helixtrans-62.6-42.8175.1-17463.2000112.3V202 V205 P217 I219 L224 C225V202-L221 HydrophobicContact CG2-CD1 4.08Å; V205-L221 HydrophobicContact CG1-CB 4.03Å; V205-L221 HydrophobicContact CG1-CD1 4.5Å; V205-L221 HydrophobicContact CG1-CD2 4.43Å; P217-L221 VanDerWaalsContact O-CB 3.31Å; P217-L221 WeakPolarHBondContact O-CB 3.38Å; P217-L221 PolarHBondContact O-N 3.1Å; I219-L221 VanDerWaalsContact C-N 3.34Å; I219-L221 PolarHBondContact O-N 3.18Å; L221-L224 PolarHBondContact O-N 3.01Å; L221-C225 WeakPolarHBondContact O-CB 3.32Å; L221-C225 PolarHBondContact O-N 3.17Å; L221-C225 PolarHBondContact O-SG 3.39Å; L221-C225 VanDerWaalsContact O-SG 3.4Å
222G85.4Confident79.2Confident33 Ų3358.1 Ų58.134%0.3430%0.302SS..Hα-helixtrans-60.8-47.4176.300000112L218 I219 C225 L226L218-G222 PolarHBondContact O-N 2.85Å; I219-G222 PolarHBondContact O-N 2.89Å; G222-C225 PolarHBondContact O-N 3Å; G222-L226 WeakPolarHBondContact O-CB 3.33Å; G222-L226 VanDerWaalsContact O-CG 3.3Å; G222-L226 WeakPolarHBondContact O-CG 3.34Å; G222-L226 PolarHBondContact O-N 3.49Å
223M78.9Confident79.8Confident89 Ų8960.1 Ų60.144%0.43831%0.311SS..Hα-helixtrans-61.7-45.2176.2-69.7-58.5-59.100111.5I219 A220 C225 L226 F227I219-M223 HydrophobicContact CG2-CG 4.41Å; I219-M223 WeakPolarHBondContact O-CG 3.44Å; I219-M223 PolarHBondContact O-N 3.29Å; A220-M223 PolarHBondContact O-N 2.87Å; M223-C225 PolarHBondContact O-N 3.42Å; M223-L226 PolarHBondContact O-N 3.39Å; M223-F227 HydrophobicContact CB-CD2 4.48Å; M223-F227 HydrophobicContact CB-CE2 4.42Å; M223-F227 HydrophobicContact CE-CD2 4.22Å; M223-F227 HydrophobicContact CE-CE2 3.32Å; M223-F227 HydrophobicContact CE-CZ 3.71Å; M223-F227 WeakPolarHBondContact O-CD2 3.27Å; M223-F227 PolarHBondContact O-N 2.92Å
224L83Confident79.9Confident28 Ų2860.4 Ų60.415%0.14731%0.314CS..Hα-helixtrans-57.6-49.2178.2-176.669000111.9F198 Q201 V202 A220 L221 F227 E228F198-L224 HydrophobicContact CD2-CD1 4.35Å; F198-L224 HydrophobicContact CD2-CD2 3.84Å; F198-L224 HydrophobicContact CD2-CG 3.96Å; F198-L224 HydrophobicContact CE2-CD2 3.71Å; F198-L224 HydrophobicContact CE2-CG 3.72Å; F198-L224 HydrophobicContact CZ-CD2 4.42Å; Q201-L224 HydrophobicContact CB-CD2 3.87Å; V202-L224 HydrophobicContact CG2-CD2 4.38Å; A220-L224 WeakPolarHBondContact O-CB 3.33Å; A220-L224 PolarHBondContact O-N 3.38Å; L221-L224 PolarHBondContact O-N 3.01Å; L224-F227 PolarHBondContact O-N 2.89Å; L224-E228 PolarHBondContact O-N 2.97Å; L224-E228 VanDerWaalsContact O-N 3.09Å
225C85.6Confident79.7Confident45 Ų4554.4 Ų54.430%0.30429%0.294SS..Hα-helixtrans-63.9-42.1178.7-73.90000112.9L221 G222 M223 F227 A229L221-C225 WeakPolarHBondContact O-CB 3.32Å; L221-C225 PolarHBondContact O-N 3.17Å; L221-C225 PolarHBondContact O-SG 3.39Å; L221-C225 VanDerWaalsContact O-SG 3.4Å; G222-C225 PolarHBondContact O-N 3Å; M223-C225 PolarHBondContact O-N 3.42Å; C225-F227 VanDerWaalsContact C-N 3.33Å; C225-F227 PolarHBondContact O-N 3.33Å; C225-A229 VanDerWaalsContact O-CB 3.28Å; C225-A229 WeakPolarHBondContact O-CB 3.37Å; C225-A229 PolarHBondContact O-N 2.89Å
226L85.1Confident79.5Confident121 Ų12154.5 Ų54.563%0.63429%0.292SS*.Hα-helixtrans-63.4-38.9178.2-74.6173.3000111.9G222 M223 S230G222-L226 WeakPolarHBondContact O-CB 3.33Å; G222-L226 VanDerWaalsContact O-CG 3.3Å; G222-L226 WeakPolarHBondContact O-CG 3.34Å; G222-L226 PolarHBondContact O-N 3.49Å; M223-L226 PolarHBondContact O-N 3.39Å; L226-S230 PolarHBondContact O-N 3.39Å
227F76.4Confident79.3Confident72 Ų7257.8 Ų57.832%0.31631%0.308SS..Hα-helixtrans-69.7-46.5178-78.3-59.2000112.7M223 L224 C225 A229 S230 L231 L446M223-F227 HydrophobicContact CB-CD2 4.48Å; M223-F227 HydrophobicContact CB-CE2 4.42Å; M223-F227 HydrophobicContact CE-CD2 4.22Å; M223-F227 HydrophobicContact CE-CE2 3.32Å; M223-F227 HydrophobicContact CE-CZ 3.71Å; M223-F227 WeakPolarHBondContact O-CD2 3.27Å; M223-F227 PolarHBondContact O-N 2.92Å; L224-F227 PolarHBondContact O-N 2.89Å; C225-F227 VanDerWaalsContact C-N 3.33Å; C225-F227 PolarHBondContact O-N 3.33Å; F227-A229 VanDerWaalsContact C-N 3.26Å; F227-A229 PolarHBondContact O-N 2.98Å; F227-S230 WeakPolarHBondContact O-CB 3.45Å; F227-S230 PolarHBondContact O-N 3.44Å; F227-S230 VanDerWaalsContact O-N 3.1Å; F227-S230 PolarHBondContact O-OG 2.89Å; F227-L231 PolarHBondContact O-N 2.9Å; F227-L446 HydrophobicContact CB-CD1 4.09Å; F227-L446 HydrophobicContact CD1-CD1 3.42Å; F227-L446 VanDerWaalsContact CD1-CD1 3.42Å; F227-L446 HydrophobicContact CD2-CD1 3.62Å; F227-L446 HydrophobicContact CD2-CD2 3.76Å; F227-L446 HydrophobicContact CD2-CG 4.3Å; F227-L446 HydrophobicContact CE1-CD1 3.59Å; F227-L446 HydrophobicContact CE2-CD1 3.76Å; F227-L446 HydrophobicContact CE2-CD2 3.47Å; F227-L446 VanDerWaalsContact CE2-CD2 3.47Å; F227-L446 HydrophobicContact CE2-CG 4.27Å; F227-L446 HydrophobicContact CG-CD1 3.45Å; F227-L446 VanDerWaalsContact CG-CD1 3.45Å; F227-L446 HydrophobicContact CG-CD2 4.47Å; F227-L446 HydrophobicContact CZ-CD1 3.77Å; F227-L446 HydrophobicContact CZ-CD2 3.99Å
228E80.8Confident78.6Confident28 Ų2860.3 Ų60.313%0.13132%0.321CS..Hα-helixtrans-61.5-37.8175.5-71.7-65.5170.900111.5F189 F198 L224 S230 L231 V232F189-E228 HydrophobicContact CE2-CB 4.08Å; F198-E228 HydrophobicContact CD2-CG 3.78Å; F198-E228 HydrophobicContact CE2-CG 3.88Å; L224-E228 PolarHBondContact O-N 2.97Å; L224-E228 VanDerWaalsContact O-N 3.09Å; E228-S230 PolarHBondContact O-N 3.03Å; E228-L231 PolarHBondContact O-N 3.25Å; E228-V232 VanDerWaalsContact O-CG2 3.29Å; E228-V232 WeakPolarHBondContact O-CG2 3.21Å; E228-V232 PolarHBondContact O-N 3.44Å
229A84.7Confident77.7Confident26 Ų2658.3 Ų58.322%0.21531%0.311CS..Hα-helixtrans-61.6-42.8172.800000112.4F185 F189 C225 F227 L231 V232 Q233F185-A229 HydrophobicContact CZ-CB 4.03Å; F189-A229 HydrophobicContact CE2-CB 4.36Å; C225-A229 VanDerWaalsContact O-CB 3.28Å; C225-A229 WeakPolarHBondContact O-CB 3.37Å; C225-A229 PolarHBondContact O-N 2.89Å; F227-A229 VanDerWaalsContact C-N 3.26Å; F227-A229 PolarHBondContact O-N 2.98Å; A229-L231 VanDerWaalsContact C-N 3.33Å; A229-L231 PolarHBondContact O-N 3Å; A229-V232 PolarHBondContact O-N 3.47Å; A229-Q233 WeakPolarHBondContact O-CB 3.36Å; A229-Q233 PolarHBondContact O-N 3.41Å
230S77.4Confident77.1Confident58 Ų5856.6 Ų56.641%0.40631%0.307SS..Hα-helixtrans-62.7-39.3176.677.90000112.2L226 F227 E228 Q233 Q234L226-S230 PolarHBondContact O-N 3.39Å; F227-S230 WeakPolarHBondContact O-CB 3.45Å; F227-S230 PolarHBondContact O-N 3.44Å; F227-S230 VanDerWaalsContact O-N 3.1Å; F227-S230 PolarHBondContact O-OG 2.89Å; E228-S230 PolarHBondContact O-N 3.03Å; S230-Q233 PolarHBondContact O-N 3.04Å; S230-Q234 PolarHBondContact O-N 3.12Å
231L73.5Confident76.5Confident29 Ų2959.1 Ų59.115%0.15232%0.316CS..Hα-helixtrans-67-42177.3-173.768.8000111.3F227 E228 A229 Q233 Q234 Q235F227-L231 PolarHBondContact O-N 2.9Å; E228-L231 PolarHBondContact O-N 3.25Å; A229-L231 VanDerWaalsContact C-N 3.33Å; A229-L231 PolarHBondContact O-N 3Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q234 PolarHBondContact O-N 3.17Å; L231-Q235 PolarHBondContact O-N 3.33Å
232V79.6Confident75.4Confident0 Ų058.9 Ų58.90%031%0.314CS..Hα-helixtrans-63.5-41.2174.9171.70000111.1F185 L188 F189 R192 E228 A229 Q234 Q235 L236F185-V232 HydrophobicContact CD2-CB 4.41Å; F185-V232 HydrophobicContact CD2-CG1 3.54Å; F185-V232 HydrophobicContact CE2-CB 3.96Å; F185-V232 HydrophobicContact CE2-CG1 3.58Å; F185-V232 HydrophobicContact CG-CG1 4.27Å; F185-V232 HydrophobicContact CZ-CG1 4.33Å; L188-V232 HydrophobicContact CB-CG1 3.64Å; L188-V232 HydrophobicContact CD1-CG1 4.25Å; F189-V232 HydrophobicContact CB-CG2 4.35Å; F189-V232 HydrophobicContact CD2-CG2 4.23Å; R192-V232 HydrophobicContact CB-CG2 4.38Å; R192-V232 HydrophobicContact CG-CG2 3.84Å; E228-V232 VanDerWaalsContact O-CG2 3.29Å; E228-V232 WeakPolarHBondContact O-CG2 3.21Å; E228-V232 PolarHBondContact O-N 3.44Å; A229-V232 PolarHBondContact O-N 3.47Å; V232-Q234 VanDerWaalsContact C-N 3.33Å; V232-Q234 PolarHBondContact O-N 3.14Å; V232-Q235 PolarHBondContact O-N 3.23Å; V232-L236 WeakPolarHBondContact O-CB 3.39Å; V232-L236 PolarHBondContact O-N 3.33Å
233Q79.1Confident74.4Confident138 Ų13863.2 Ų63.265%0.64532%0.32SS*.Hα-helixtrans-62.3-41.5176.7-172.7175.6-1.300111.6A229 S230 L231 L236 K237A229-Q233 WeakPolarHBondContact O-CB 3.36Å; A229-Q233 PolarHBondContact O-N 3.41Å; S230-Q233 PolarHBondContact O-N 3.04Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; Q233-L236 PolarHBondContact O-N 3.1Å; Q233-K237 PolarHBondContact O-N 3.03Å
234Q68.4Low73.6Confident57 Ų5763.5 Ų63.527%0.26633%0.331SS..Hα-helixtrans-62.3-43.4173.8-171.7179.5-2.400111.5S230 L231 V232 L236 K237 N238 N453S230-Q234 PolarHBondContact O-N 3.12Å; L231-Q234 PolarHBondContact O-N 3.17Å; V232-Q234 VanDerWaalsContact C-N 3.33Å; V232-Q234 PolarHBondContact O-N 3.14Å; Q234-L236 PolarHBondContact O-N 2.91Å; Q234-K237 PolarHBondContact O-N 2.77Å; Q234-N238 PolarHBondContact O-N 3.47Å; Q234-N238 VanDerWaalsContact O-N 3.16Å; Q234-N238 PolarHBondContact O-OD1 3.3Å; Q234-N453 PolarHBondContact NE2-OD1 3.22Å; Q234-N453 PolarHBondContact OE1-ND2 3.05Å; Q234-N453 PolarHBondContact OE1-OD1 3.27Å
235Q69.5Low72.3Confident53 Ų5364.2 Ų64.225%0.24833%0.334CS..Hα-helixtrans-63.4-39.6176.7-175.6173-1400112.3L231 V232 N238 L239L231-Q235 PolarHBondContact O-N 3.33Å; V232-Q235 PolarHBondContact O-N 3.23Å; Q235-N238 PolarHBondContact O-N 2.81Å; Q235-L239 HydrophobicContact CG-CD1 4.38Å; Q235-L239 WeakPolarHBondContact O-CG 3.43Å; Q235-L239 PolarHBondContact O-N 3.18Å
236L76.4Confident71.1Confident57 Ų5763.9 Ų63.930%0.29833%0.332SS..Hα-helixtrans-66.4-37.7177.8-170.4143.8000111.6V182 F185 L188 V232 Q233 Q234 L239 S240V182-L236 HydrophobicContact CG1-CG 4.5Å; F185-L236 HydrophobicContact CB-CD1 4.36Å; L188-L236 HydrophobicContact CD1-CB 4.4Å; V232-L236 WeakPolarHBondContact O-CB 3.39Å; V232-L236 PolarHBondContact O-N 3.33Å; Q233-L236 PolarHBondContact O-N 3.1Å; Q234-L236 PolarHBondContact O-N 2.91Å; L236-L239 PolarHBondContact O-N 3.48Å; L236-S240 WeakPolarHBondContact O-CB 3.44Å; L236-S240 PolarHBondContact O-N 2.86Å
237K72Confident70.2Confident123 Ų12363.2 Ų63.254%0.53533%0.326SS..Hα-helixtrans-60.1-49.1173-170.6179.9176.7-176.80111Q233 Q234 L239 S240 E241Q233-K237 PolarHBondContact O-N 3.03Å; Q234-K237 PolarHBondContact O-N 2.77Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-L239 PolarHBondContact O-N 3.19Å; K237-S240 WeakPolarHBondContact O-CB 3.22Å; K237-S240 PolarHBondContact O-N 3.32Å; K237-S240 VanDerWaalsContact O-N 3.12Å; K237-S240 PolarHBondContact O-OG 3.35Å; K237-E241 PolarHBondContact O-N 2.88Å
238N64.6Low70.2Confident52 Ų5267.8 Ų67.828%0.27835%0.346SS..Hα-helixtrans-60.6-40.4178.2-65.5-0.5000112.3Q234 Q235 E241 I242Q234-N238 PolarHBondContact O-N 3.47Å; Q234-N238 VanDerWaalsContact O-N 3.16Å; Q234-N238 PolarHBondContact O-OD1 3.3Å; Q235-N238 PolarHBondContact O-N 2.81Å; N238-E241 PolarHBondContact O-N 3.28Å; N238-I242 WeakPolarHBondContact O-CG1 3.4Å; N238-I242 PolarHBondContact O-N 2.87Å
239L66.9Low70.3Confident55 Ų5569.7 Ų69.729%0.28836%0.36SS..Hα-helixtrans-67.8-35.9175.7-72.9170.9000112.7V182 P183 L188 Q235 L236 K237 E241 I242 R243V182-L239 HydrophobicContact CG1-CB 4.32Å; P183-L239 HydrophobicContact CG-CD1 4.03Å; L188-L239 HydrophobicContact CD1-CD1 4.26Å; Q235-L239 HydrophobicContact CG-CD1 4.38Å; Q235-L239 WeakPolarHBondContact O-CG 3.43Å; Q235-L239 PolarHBondContact O-N 3.18Å; L236-L239 PolarHBondContact O-N 3.48Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-L239 PolarHBondContact O-N 3.19Å; L239-E241 VanDerWaalsContact C-N 3.28Å; L239-E241 PolarHBondContact O-N 3.47Å; L239-I242 PolarHBondContact O-N 3.11Å; L239-R243 PolarHBondContact O-N 2.91Å
240S69.2Low70.3Confident56 Ų5670.2 Ų70.239%0.39236%0.357SS..Hα-helixtrans-65.5-33.5175.777.70000112.2L236 K237 R243 S244L236-S240 WeakPolarHBondContact O-CB 3.44Å; L236-S240 PolarHBondContact O-N 2.86Å; K237-S240 WeakPolarHBondContact O-CB 3.22Å; K237-S240 PolarHBondContact O-N 3.32Å; K237-S240 VanDerWaalsContact O-N 3.12Å; K237-S240 PolarHBondContact O-OG 3.35Å; S240-R243 WeakPolarHBondContact O-CB 3.49Å; S240-R243 PolarHBondContact O-N 3.4Å; S240-S244 PolarHBondContact O-N 3.09Å
241E65.4Low70.9Confident68 Ų6872 Ų7232%0.31836%0.362SS..Hα-helixtrans-66.5-45.6172.9-70.7173.3-170.200110.8K237 N238 L239 R243 S244 M245K237-E241 PolarHBondContact O-N 2.88Å; N238-E241 PolarHBondContact O-N 3.28Å; L239-E241 VanDerWaalsContact C-N 3.28Å; L239-E241 PolarHBondContact O-N 3.47Å; E241-R243 PolarHBondContact O-N 2.86Å; E241-S244 WeakPolarHBondContact O-CB 3.29Å; E241-S244 PolarHBondContact O-N 3.44Å; E241-S244 PolarHBondContact O-OG 3.18Å; E241-M245 WeakPolarHBondContact O-CE 3.3Å
242I61.4Low71.6Confident49 Ų4971.1 Ų71.125%0.25136%0.357SS..Hα-helixtrans-57.9-37.5175.3-62.7170.2000111.4L180 N238 L239 S244 M245 I925L180-I242 HydrophobicContact CD1-CG2 4.02Å; N238-I242 WeakPolarHBondContact O-CG1 3.4Å; N238-I242 PolarHBondContact O-N 2.87Å; L239-I242 PolarHBondContact O-N 3.11Å; I242-S244 VanDerWaalsContact C-N 3.29Å; I242-S244 PolarHBondContact O-N 3.4Å; I242-M245 HydrophobicContact CB-CE 4.46Å; I242-M245 HydrophobicContact CB-SD 4.4Å; I242-M245 HydrophobicContact CG1-CE 4.31Å; I242-M245 HydrophobicContact CG2-SD 4.28Å; I242-M245 WeakPolarHBondContact O-CB 3.41Å; I242-M245 PolarHBondContact O-N 3.03Å; I242-I925 HydrophobicContact CG1-CG2 4.38Å
243R65Low72.1Confident124 Ų12471.7 Ų71.747%0.46836%0.361SS..Hα-helixtrans-63.9-33.3175.4-175.3178.5177.5-177.51.6112.9L239 S240 E241 M245 S246L239-R243 PolarHBondContact O-N 2.91Å; S240-R243 WeakPolarHBondContact O-CB 3.49Å; S240-R243 PolarHBondContact O-N 3.4Å; E241-R243 PolarHBondContact O-N 2.86Å; R243-M245 PolarHBondContact O-N 3.12Å; R243-M245 VanDerWaalsContact O-N 3.16Å; R243-S246 PolarHBondContact O-N 3.13Å
244S60.7Low72.7Confident95 Ų9565.1 Ų65.166%0.66433%0.33SS*.Hα-helixtrans-65-15.1179.577.40000114S240 E241 I242S240-S244 PolarHBondContact O-N 3.09Å; E241-S244 WeakPolarHBondContact O-CB 3.29Å; E241-S244 PolarHBondContact O-N 3.44Å; E241-S244 PolarHBondContact O-OG 3.18Å; I242-S244 VanDerWaalsContact C-N 3.29Å; I242-S244 PolarHBondContact O-N 3.4Å
245M57.4Low73.8Confident43 Ų4363.9 Ų63.921%0.21232%0.324CS..THydrogen-bonded Turntrans-78.7-22.3174.3-60.8152-156.600112.9E241 I242 R243 E247 I925E241-M245 WeakPolarHBondContact O-CE 3.3Å; I242-M245 HydrophobicContact CB-CE 4.46Å; I242-M245 HydrophobicContact CB-SD 4.4Å; I242-M245 HydrophobicContact CG1-CE 4.31Å; I242-M245 HydrophobicContact CG2-SD 4.28Å; I242-M245 WeakPolarHBondContact O-CB 3.41Å; I242-M245 PolarHBondContact O-N 3.03Å; R243-M245 PolarHBondContact O-N 3.12Å; R243-M245 VanDerWaalsContact O-N 3.16Å; M245-E247 PolarHBondContact O-N 2.74Å; M245-I925 HydrophobicContact CE-CB 3.88Å; M245-I925 HydrophobicContact CE-CD1 3.19Å; M245-I925 HydrophobicContact CE-CG1 3.19Å; M245-I925 HydrophobicContact CE-CG2 3.53Å; M245-I925 HydrophobicContact CG-CD1 3.68Å; M245-I925 HydrophobicContact SD-CB 3.93Å; M245-I925 HydrophobicContact SD-CD1 3.26Å; M245-I925 WeakPolarHBondContact SD-CD1 3.11Å; M245-I925 HydrophobicContact SD-CG1 3.71Å; M245-I925 HydrophobicContact SD-CG2 3.62Å
246S60.4Low74.7Confident38 Ų3862.3 Ų62.327%0.26632%0.316SS..SBendtrans-77.1113.7175.6-167.60000108.5L178 R243L178-S246 PolarHBondContact O-OG 3.47Å; R243-S246 PolarHBondContact O-N 3.13Å
247E65.6Low75.1Confident106 Ų10664.1 Ų64.150%0.49532%0.322SS..PPolyproline II helixtrans-61143.8-178.8-167.761-121.600110.6M245M245-E247 PolarHBondContact O-N 2.74Å
248K76.2Confident75.7Confident169 Ų16964 Ų6474%0.73532%0.322SS*.PPolyproline II helixtrans-70139.4-179.1-68.1-178.8-178.41780110.3Y250K248-Y250 PolarHBondContact O-N 3.47Å
249P82Confident76.8Confident67 Ų6768.8 Ų68.844%0.43534%0.34SS..PPolyproline II helixtrans-65.8137.4176.827.4-33.5000110.5T265 D266P249-T265 VanDerWaalsContact CA-OG1 3.25Å; P249-T265 WeakPolarHBondContact CA-OG1 3.43Å; P249-T265 WeakPolarHBondContact CB-OG1 3.11Å; P249-D266 HydrophobicContact CB-CB 4.31Å
250Y86.5Confident77.9Confident37 Ų3769.1 Ų69.115%0.14534%0.338CS..  trans-123.5175.3179.365.6-86.8000110.1K248 I252 R264 T265 F283 C284 P286K248-Y250 PolarHBondContact O-N 3.47Å; Y250-I252 HydrophobicContact CE2-CB 4.46Å; Y250-R264 CarbonylContact O-C 3.52Å; Y250-R264 WeakPolarHBondContact O-CA 3.43Å; Y250-T265 HydrophobicContact CD1-CG2 3.87Å; Y250-T265 HydrophobicContact CD2-CG2 4.09Å; Y250-T265 HydrophobicContact CE1-CG2 3.68Å; Y250-T265 HydrophobicContact CE2-CG2 3.93Å; Y250-T265 HydrophobicContact CG-CG2 4.06Å; Y250-T265 PolarHBondContact N-OG1 3.5Å; Y250-T265 VanDerWaalsContact N-OG1 3.15Å; Y250-T265 WeakPolarHBondContact O-CG2 3.44Å; Y250-T265 PolarHBondContact O-N 2.87Å; Y250-T265 PolarHBondContact O-OG1 3.08Å; Y250-F283 HydrophobicContact CD1-CB 3.89Å; Y250-F283 HydrophobicContact CD1-CD1 4.04Å; Y250-F283 HydrophobicContact CD1-CD2 4.06Å; Y250-F283 AromaticContact CD1-CG 3.74Å; Y250-F283 HydrophobicContact CD1-CG 3.74Å; Y250-F283 HydrophobicContact CD2-CB 4.26Å; Y250-F283 AromaticContact CD2-CD2 3.46Å; Y250-F283 HydrophobicContact CD2-CD2 3.46Å; Y250-F283 VanDerWaalsContact CD2-CD2 3.46Å; Y250-F283 HydrophobicContact CD2-CE2 4.05Å; Y250-F283 AromaticContact CD2-CG 3.97Å; Y250-F283 HydrophobicContact CD2-CG 3.97Å; Y250-F283 HydrophobicContact CE1-CB 3.6Å; Y250-F283 HydrophobicContact CE1-CD2 4.46Å; Y250-F283 AromaticContact CE1-CG 4Å; Y250-F283 HydrophobicContact CE1-CG 4Å; Y250-F283 HydrophobicContact CE2-CB 3.98Å; Y250-F283 AromaticContact CE2-CD2 3.91Å; Y250-F283 HydrophobicContact CE2-CD2 3.91Å; Y250-F283 HydrophobicContact CE2-CG 4.2Å; Y250-F283 HydrophobicContact CG-CB 4.22Å; Y250-F283 HydrophobicContact CG-CD1 4.18Å; Y250-F283 AromaticContact CG-CD2 3.55Å; Y250-F283 HydrophobicContact CG-CD2 3.55Å; Y250-F283 AromaticContact CG-CE2 3.98Å; Y250-F283 HydrophobicContact CG-CE2 3.98Å; Y250-F283 AromaticContact CG-CG 3.74Å; Y250-F283 HydrophobicContact CG-CG 3.74Å; Y250-F283 HydrophobicContact CG-CZ 4.48Å; Y250-C284 WeakPolarHBondContact CE1-O 3.41Å; Y250-C284 PolarHBondContact OH-O 3.23Å; Y250-P286 WeakPolarHBondContact OH-CD 3.4Å
251N88.4Confident79Confident96 Ų9669.8 Ų69.851%0.51334%0.339SS..EExtended strand (participates in β ladder)trans-94.1132.5-178.3-70.1-39.9000110.9V263 R264N251-V263 CarbonylContact C-O 3.44Å; N251-V263 WeakPolarHBondContact CA-O 3.44Å; N251-R264 WeakPolarHBondContact OD1-CG 3.41Å
252I88.8Confident80.2Confident10 Ų1076.1 Ų76.15%0.05136%0.36CS..EExtended strand (participates in β ladder)trans-127.5150.8177.6-165.4166.4000111Y250 V254 R262 V263 T265 L268 V274 S275Y250-I252 HydrophobicContact CE2-CB 4.46Å; I252-V254 HydrophobicContact CG2-CG2 4.02Å; I252-R262 WeakPolarHBondContact O-CA 3.34Å; I252-V263 PolarHBondContact N-O 2.86Å; I252-V263 PolarHBondContact O-N 3.17Å; I252-T265 HydrophobicContact CB-CG2 4.34Å; I252-T265 HydrophobicContact CG2-CG2 4.09Å; I252-L268 HydrophobicContact CG2-CD1 4.31Å; I252-L268 HydrophobicContact CG2-CD2 4Å; I252-L268 HydrophobicContact CG2-CG 4.45Å; I252-V274 HydrophobicContact CD1-CB 4.09Å; I252-V274 HydrophobicContact CD1-CG2 4.46Å; I252-S275 WeakPolarHBondContact CD1-O 3.2Å; I252-S275 VanDerWaalsContact CG1-O 3.28Å; I252-S275 WeakPolarHBondContact CG1-O 3.19Å
253C90.7Very high81.5Confident12 Ų1274.3 Ų74.38%0.08135%0.351CS..EExtended strand (participates in β ladder)trans-79.7123175.3-67.50000110.3W260 V274 S275C253-W260 HydrophobicContact CB-CE3 4.11Å; C253-V274 WeakPolarHBondContact O-CA 3.31Å; C253-S275 PolarHBondContact O-N 3.26Å
254V91.4Very high82.7Confident0 Ų073.6 Ų73.60%035%0.349CS..EExtended strand (participates in β ladder)trans-121.2140.4179.7-168.60000109.8I252 R256 W260 V261 V263 L268 D272 I273 V274I252-V254 HydrophobicContact CG2-CG2 4.02Å; V254-R256 HydrophobicContact CG1-CG 3.98Å; V254-W260 CarbonylContact O-C 3.59Å; V254-W260 WeakPolarHBondContact O-CA 3.44Å; V254-V261 PolarHBondContact N-O 3.42Å; V254-V261 PolarHBondContact O-N 3.36Å; V254-V263 HydrophobicContact CB-CG2 4.29Å; V254-V263 HydrophobicContact CG2-CB 3.87Å; V254-V263 HydrophobicContact CG2-CG2 4.1Å; V254-L268 HydrophobicContact CG2-CD2 3.66Å; V254-D272 HydrophobicContact CG1-CB 3.73Å; V254-I273 CarbonylContact C-O 3.51Å; V254-I273 VanDerWaalsContact CA-O 3.3Å; V254-I273 WeakPolarHBondContact CA-O 3.24Å; V254-I273 WeakPolarHBondContact CG1-O 3.43Å; V254-V274 HydrophobicContact CG1-CG1 4.42Å; V254-V274 HydrophobicContact CG2-CG1 4.16Å
255Y91.2Very high84.1Confident32 Ų3269.5 Ų69.513%0.12532%0.32CS..EExtended strand (participates in β ladder)trans-93.6105.2175.4-168.4-101.8000110.9K158 K258 K259 W260 I273 L354K158-Y255 WeakPolarHBondContact O-CD1 3.29Å; K158-Y255 VanDerWaalsContact O-CE1 3.24Å; K158-Y255 WeakPolarHBondContact O-CE1 3.44Å; Y255-K258 VanDerWaalsContact CZ-C 3.49Å; Y255-K258 VanDerWaalsContact CZ-CA 3.47Å; Y255-K258 VanDerWaalsContact OH-CA 3.29Å; Y255-K258 WeakPolarHBondContact OH-CA 3.29Å; Y255-K258 PolarHBondContact OH-O 3.19Å; Y255-K259 WeakPolarHBondContact CA-O 3.31Å; Y255-W260 AromaticContact CD2-CD1 3.85Å; Y255-W260 AromaticContact CD2-CD2 3.85Å; Y255-W260 HydrophobicContact CD2-CD2 3.85Å; Y255-W260 AromaticContact CD2-CE2 3.69Å; Y255-W260 AromaticContact CD2-CG 3.97Å; Y255-W260 HydrophobicContact CD2-CG 3.97Å; Y255-W260 HydrophobicContact CD2-CZ2 4.26Å; Y255-W260 AromaticContact CD2-NE1 3.69Å; Y255-I273 PolarHBondContact N-O 2.92Å; Y255-L354 HydrophobicContact CD1-CD2 3.63Å; Y255-L354 HydrophobicContact CD2-CD2 3.98Å; Y255-L354 HydrophobicContact CE1-CD2 3.42Å; Y255-L354 VanDerWaalsContact CE1-CD2 3.42Å; Y255-L354 HydrophobicContact CE2-CD2 3.79Å; Y255-L354 HydrophobicContact CG-CD2 3.89Å; Y255-L354 VanDerWaalsContact CZ-CD2 3.48Å
256R88.2Confident85.5Confident20 Ų2068.9 Ų68.98%0.07532%0.317CS..EExtended strand (participates in β ladder)trans-131.8146.1177.5-65.3-178.8178.8166.22.5109.3V254 K258 K259 Q267 D272V254-R256 HydrophobicContact CG1-CG 3.98Å; R256-K258 PolarHBondContact O-N 3.47Å; R256-K258 VanDerWaalsContact O-N 3.17Å; R256-K259 PolarHBondContact N-O 3.34Å; R256-K259 CarbonylContact O-C 3.58Å; R256-K259 PolarHBondContact O-N 2.94Å; R256-Q267 PolarHBondContact NH2-O 3.07Å; R256-D272 IonicContact CZ-OD1 3.71Å; R256-D272 IonicContact CZ-OD2 3.66Å; R256-D272 IonicContact NE-OD1 2.83Å; R256-D272 PolarHBondContact NE-OD1 3.04Å; R256-D272 IonicContact NE-OD2 2.76Å; R256-D272 PolarHBondContact NE-OD2 3.49Å; R256-D272 IonicContact NH2-OD1 3.7Å; R256-D272 IonicContact NH2-OD2 2.96Å; R256-D272 PolarHBondContact NH2-OD2 3.39Å
257Q86.1Confident86.9Confident95 Ų9571.3 Ų71.344%0.44432%0.324SS..THydrogen-bonded Turntrans52.339178.4-55.5172.210.800113.6Y160 K259Y160-Q257 PolarHBondContact O-N 3.42Å; Q257-K259 PolarHBondContact O-N 3.45Å; Q257-K259 VanDerWaalsContact O-N 3.13Å
258K83.4Confident88.1Confident120 Ų12066.3 Ų66.352%0.52230%0.301SS..THydrogen-bonded Turntrans61.215.6-176.8-57.7175.8-177.9164.90114.8E161 Y255 R256E161-K258 WeakPolarHBondContact OE1-CE 3.34Å; E161-K258 IonicContact OE1-NZ 3.66Å; E161-K258 WeakPolarHBondContact OE2-CE 3.37Å; E161-K258 IonicContact OE2-NZ 2.86Å; E161-K258 PolarHBondContact OE2-NZ 3.24Å; Y255-K258 VanDerWaalsContact CZ-C 3.49Å; Y255-K258 VanDerWaalsContact CZ-CA 3.47Å; Y255-K258 VanDerWaalsContact OH-CA 3.29Å; Y255-K258 WeakPolarHBondContact OH-CA 3.29Å; Y255-K258 PolarHBondContact OH-O 3.19Å; R256-K258 PolarHBondContact O-N 3.47Å; R256-K258 VanDerWaalsContact O-N 3.17Å
259K88.8Confident88.8Confident152 Ų15258.3 Ų58.366%0.66127%0.266SS*.EExtended strand (participates in β ladder)trans-129.4150.5179.1-66.3-178.7-177.6177.40111.1Y255 R256 Q257Y255-K259 WeakPolarHBondContact CA-O 3.31Å; R256-K259 PolarHBondContact N-O 3.34Å; R256-K259 CarbonylContact O-C 3.58Å; R256-K259 PolarHBondContact O-N 2.94Å; Q257-K259 PolarHBondContact O-N 3.45Å; Q257-K259 VanDerWaalsContact O-N 3.13Å
260W89.8Confident89.2Confident62 Ų6255.1 Ų55.124%0.23525%0.245CC..EExtended strand (participates in β ladder)trans-83123169.7-69.9100.2000109.7C253 V254 Y255 I273 K355 A356 P357C253-W260 HydrophobicContact CB-CE3 4.11Å; V254-W260 CarbonylContact O-C 3.59Å; V254-W260 WeakPolarHBondContact O-CA 3.44Å; Y255-W260 AromaticContact CD2-CD1 3.85Å; Y255-W260 AromaticContact CD2-CD2 3.85Å; Y255-W260 HydrophobicContact CD2-CD2 3.85Å; Y255-W260 AromaticContact CD2-CE2 3.69Å; Y255-W260 AromaticContact CD2-CG 3.97Å; Y255-W260 HydrophobicContact CD2-CG 3.97Å; Y255-W260 HydrophobicContact CD2-CZ2 4.26Å; Y255-W260 AromaticContact CD2-NE1 3.69Å; W260-I273 HydrophobicContact CH2-CG2 4.29Å; W260-K355 PolarHBondContact NE1-O 3.42Å; W260-A356 HydrophobicContact CH2-CB 3.96Å; W260-A356 HydrophobicContact CZ2-CB 3.88Å; W260-P357 HydrophobicContact CB-CG 4.08Å; W260-P357 HydrophobicContact CD2-CG 4.49Å; W260-P357 HydrophobicContact CG-CG 4.15Å
261V91.6Very high89.3Confident70 Ų7053.4 Ų53.442%0.42424%0.239SC..EExtended strand (participates in β ladder)trans-124139.9-180-177.50000108.5V254 V263V254-V261 PolarHBondContact N-O 3.42Å; V254-V261 PolarHBondContact O-N 3.36Å; V261-V263 HydrophobicContact CB-CG2 4.43Å; V261-V263 HydrophobicContact CG1-CG2 4.07Å
262R89.7Confident89.5Confident202 Ų20248.8 Ų48.876%0.76221%0.214SC*.EExtended strand (participates in β ladder)trans-83121.7171.7-70.9-174.8175.3-173.1-2.1109.4I252I252-R262 WeakPolarHBondContact O-CA 3.34Å
263V90.7Very high89.7Confident10 Ų1048.5 Ų48.56%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-128.1149.4-177.7-178.50000108.1N251 I252 V254 V261 Q267N251-V263 CarbonylContact C-O 3.44Å; N251-V263 WeakPolarHBondContact CA-O 3.44Å; I252-V263 PolarHBondContact N-O 2.86Å; I252-V263 PolarHBondContact O-N 3.17Å; V254-V263 HydrophobicContact CB-CG2 4.29Å; V254-V263 HydrophobicContact CG2-CB 3.87Å; V254-V263 HydrophobicContact CG2-CG2 4.1Å; V261-V263 HydrophobicContact CB-CG2 4.43Å; V261-V263 HydrophobicContact CG1-CG2 4.07Å; V263-Q267 HydrophobicContact CG1-CB 3.58Å
264R90.3Very high89.7Confident110 Ų11047.9 Ų47.942%0.41521%0.209SC..EExtended strand (participates in β ladder)trans-72.2147.3173.9-69.2170.344.9148-1.9111Y250 N251 D266 Q267Y250-R264 CarbonylContact O-C 3.52Å; Y250-R264 WeakPolarHBondContact O-CA 3.43Å; N251-R264 WeakPolarHBondContact OD1-CG 3.41Å; R264-D266 WeakPolarHBondContact CB-OD1 3.31Å; R264-D266 IonicContact CZ-OD1 3.45Å; R264-D266 IonicContact CZ-OD2 3.2Å; R264-D266 IonicContact NE-OD1 3.94Å; R264-D266 PolarHBondContact NE-OD1 2.57Å; R264-D266 IonicContact NE-OD2 2.67Å; R264-D266 PolarHBondContact NE-OD2 2.86Å; R264-D266 IonicContact NH2-OD1 2.71Å; R264-D266 IonicContact NH2-OD2 2.75Å; R264-D266 PolarHBondContact NH2-OD2 3.13Å; R264-D266 PolarHBondContact O-N 3.2Å; R264-Q267 PolarHBondContact O-N 3.17Å
265T88.4Confident89.7Confident9 Ų948 Ų486%0.05521%0.21CC..G310 helixtrans-63-23.6-175.849.70000114.8N176 P249 Y250 I252 Q267 L268 P286N176-T265 WeakPolarHBondContact CB-O 3.01Å; N176-T265 PolarHBondContact ND2-O 3.15Å; P249-T265 VanDerWaalsContact CA-OG1 3.25Å; P249-T265 WeakPolarHBondContact CA-OG1 3.43Å; P249-T265 WeakPolarHBondContact CB-OG1 3.11Å; Y250-T265 HydrophobicContact CD1-CG2 3.87Å; Y250-T265 HydrophobicContact CD2-CG2 4.09Å; Y250-T265 HydrophobicContact CE1-CG2 3.68Å; Y250-T265 HydrophobicContact CE2-CG2 3.93Å; Y250-T265 HydrophobicContact CG-CG2 4.06Å; Y250-T265 PolarHBondContact N-OG1 3.5Å; Y250-T265 VanDerWaalsContact N-OG1 3.15Å; Y250-T265 WeakPolarHBondContact O-CG2 3.44Å; Y250-T265 PolarHBondContact O-N 2.87Å; Y250-T265 PolarHBondContact O-OG1 3.08Å; I252-T265 HydrophobicContact CB-CG2 4.34Å; I252-T265 HydrophobicContact CG2-CG2 4.09Å; T265-Q267 VanDerWaalsContact C-N 3.29Å; T265-L268 HydrophobicContact CG2-CD1 4.43Å; T265-L268 WeakPolarHBondContact O-CG 3.35Å; T265-P286 HydrophobicContact CG2-CB 3.63Å; T265-P286 HydrophobicContact CG2-CG 3.85Å
266D88.5Confident89.5Confident29 Ų2947.3 Ų47.316%0.15521%0.208CC..G310 helixtrans-69.6-26.5172.856.2-23.7000112.5L175 N176 E177 P249 R264 L268L175-D266 WeakPolarHBondContact CB-O 3.33Å; N176-D266 CarbonylContact C-O 3.6Å; N176-D266 PolarHBondContact N-O 3.11Å; N176-D266 WeakPolarHBondContact O-CA 3.43Å; E177-D266 HydrophobicContact CG-CB 4.4Å; P249-D266 HydrophobicContact CB-CB 4.31Å; R264-D266 WeakPolarHBondContact CB-OD1 3.31Å; R264-D266 IonicContact CZ-OD1 3.45Å; R264-D266 IonicContact CZ-OD2 3.2Å; R264-D266 IonicContact NE-OD1 3.94Å; R264-D266 PolarHBondContact NE-OD1 2.57Å; R264-D266 IonicContact NE-OD2 2.67Å; R264-D266 PolarHBondContact NE-OD2 2.86Å; R264-D266 IonicContact NH2-OD1 2.71Å; R264-D266 IonicContact NH2-OD2 2.75Å; R264-D266 PolarHBondContact NH2-OD2 3.13Å; R264-D266 PolarHBondContact O-N 3.2Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.16Å
267Q89.7Confident89.2Confident90 Ų9048.1 Ų48.142%0.42122%0.216SC..G310 helixtrans-90.911.4-179.4-62.4179.4-3.300113.9R256 V263 R264 T265R256-Q267 PolarHBondContact NH2-O 3.07Å; V263-Q267 HydrophobicContact CG1-CB 3.58Å; R264-Q267 PolarHBondContact O-N 3.17Å; T265-Q267 VanDerWaalsContact C-N 3.29Å
268L90.4Very high88.4Confident0 Ų050.8 Ų50.80%023%0.229CC..  trans-72142175.5-70.4174.6000111.2N176 I252 V254 T265 D266 V274 P286N176-L268 HydrophobicContact CB-CB 3.89Å; N176-L268 WeakPolarHBondContact CB-O 3.18Å; N176-L268 PolarHBondContact N-O 3.42Å; N176-L268 VanDerWaalsContact N-O 3.17Å; I252-L268 HydrophobicContact CG2-CD1 4.31Å; I252-L268 HydrophobicContact CG2-CD2 4Å; I252-L268 HydrophobicContact CG2-CG 4.45Å; V254-L268 HydrophobicContact CG2-CD2 3.66Å; T265-L268 HydrophobicContact CG2-CD1 4.43Å; T265-L268 WeakPolarHBondContact O-CG 3.35Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.16Å; L268-V274 HydrophobicContact CD2-CG1 3.74Å; L268-P286 HydrophobicContact CD1-CB 4.05Å; L268-P286 HydrophobicContact CD1-CG 3.61Å
269I90.9Very high87Confident1 Ų152 Ų521%0.00524%0.241CC..  trans-123.2142.6179.4-56.1160.7000108Y160 Q166 A169 Q170 Y173 L175 G271 D272Y160-I269 HydrophobicContact CE2-CG2 4.5Å; Q166-I269 HydrophobicContact CG-CD1 4.13Å; A169-I269 HydrophobicContact CB-CG2 4Å; Q170-I269 HydrophobicContact CB-CD1 3.71Å; Q170-I269 HydrophobicContact CB-CG1 4.36Å; Q170-I269 HydrophobicContact CG-CD1 4.14Å; Y173-I269 HydrophobicContact CD2-CG2 4.18Å; L175-I269 HydrophobicContact CD2-CG1 4.37Å; I269-G271 PolarHBondContact O-N 3.1Å; I269-D272 PolarHBondContact N-OD2 3.32Å; I269-D272 WeakPolarHBondContact O-CB 3.23Å; I269-D272 PolarHBondContact O-N 2.86Å; I269-D272 VanDerWaalsContact O-N 3.09Å
270A90.2Very high85.4Confident0 Ų048.6 Ų48.60%023%0.23CC..THydrogen-bonded Turntrans-59.9126.1173.400000110.3F145 P146 Y160 Y173 V365 T368F145-A270 HydrophobicContact CD1-CB 3.74Å; F145-A270 HydrophobicContact CE1-CB 4.14Å; P146-A270 HydrophobicContact CG-CB 4.35Å; Y160-A270 PolarHBondContact OH-O 2.83Å; Y173-A270 HydrophobicContact CD1-CB 4.27Å; Y173-A270 HydrophobicContact CD2-CB 4.15Å; Y173-A270 HydrophobicContact CG-CB 3.95Å; A270-V365 CarbonylContact C-O 3.46Å; A270-T368 HydrophobicContact CB-CG2 4.5Å
271G89.1Confident83.5Confident1 Ų153.8 Ų53.81%0.0126%0.257CS..THydrogen-bonded Turntrans106.8-14-170.500000115.1W157 I269 V365W157-G271 PolarHBondContact NE1-O 2.99Å; I269-G271 PolarHBondContact O-N 3.1Å; G271-V365 PolarHBondContact N-O 3.45Å
272D92.1Very high82Confident0 Ų057.9 Ų57.90%027%0.269CS..  trans-66.4149.9172.1-81.5-36.3000111.6Y160 V254 R256 I269 V365Y160-D272 WeakPolarHBondContact CD2-OD1 3.33Å; V254-D272 HydrophobicContact CG1-CB 3.73Å; R256-D272 IonicContact CZ-OD1 3.71Å; R256-D272 IonicContact CZ-OD2 3.66Å; R256-D272 IonicContact NE-OD1 2.83Å; R256-D272 PolarHBondContact NE-OD1 3.04Å; R256-D272 IonicContact NE-OD2 2.76Å; R256-D272 PolarHBondContact NE-OD2 3.49Å; R256-D272 IonicContact NH2-OD1 3.7Å; R256-D272 IonicContact NH2-OD2 2.96Å; R256-D272 PolarHBondContact NH2-OD2 3.39Å; I269-D272 PolarHBondContact N-OD2 3.32Å; I269-D272 WeakPolarHBondContact O-CB 3.23Å; I269-D272 PolarHBondContact O-N 2.86Å; I269-D272 VanDerWaalsContact O-N 3.09Å; D272-V365 HydrophobicContact CB-CB 4.48Å; D272-V365 HydrophobicContact CB-CG2 3.93Å; D272-V365 WeakPolarHBondContact O-CG2 3.4Å; D272-V365 PolarHBondContact O-N 2.97Å
273I92Very high81.1Confident3 Ų351.9 Ų51.92%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-104124.4170.1-61.8171.4000107.9W157 V254 Y255 W260 I362 C363W157-I273 WeakPolarHBondContact O-CD1 3.47Å; V254-I273 CarbonylContact C-O 3.51Å; V254-I273 VanDerWaalsContact CA-O 3.3Å; V254-I273 WeakPolarHBondContact CA-O 3.24Å; V254-I273 WeakPolarHBondContact CG1-O 3.43Å; Y255-I273 PolarHBondContact N-O 2.92Å; W260-I273 HydrophobicContact CH2-CG2 4.29Å; I273-I362 HydrophobicContact CG2-CG2 3.47Å; I273-I362 VanDerWaalsContact CG2-CG2 3.47Å; I273-C363 CarbonylContact C-O 3.5Å; I273-C363 VanDerWaalsContact CA-O 3.31Å; I273-C363 WeakPolarHBondContact CA-O 3.49Å
274V92.1Very high80.7Confident0 Ų052.8 Ų52.80%026%0.255CS..EExtended strand (participates in β ladder)trans-119.7152.9-175.1-58.40000111.7I252 C253 V254 L268 L289 C363 V365I252-V274 HydrophobicContact CD1-CB 4.09Å; I252-V274 HydrophobicContact CD1-CG2 4.46Å; C253-V274 WeakPolarHBondContact O-CA 3.31Å; V254-V274 HydrophobicContact CG1-CG1 4.42Å; V254-V274 HydrophobicContact CG2-CG1 4.16Å; L268-V274 HydrophobicContact CD2-CG1 3.74Å; V274-L289 HydrophobicContact CG2-CD1 3.86Å; V274-L289 HydrophobicContact CG2-CD2 3.99Å; V274-C363 HydrophobicContact CG2-CB 3.96Å; V274-C363 PolarHBondContact N-O 3.2Å; V274-C363 PolarHBondContact O-N 3.2Å; V274-V365 HydrophobicContact CG1-CG2 3.78Å; V274-V365 HydrophobicContact CG2-CG2 4.41Å
275S90.4Very high80.6Confident2 Ų247.8 Ų47.81%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-106.2135.3171.1-1730000111.1I252 C253 A356 D358 G360 C361I252-S275 WeakPolarHBondContact CD1-O 3.2Å; I252-S275 VanDerWaalsContact CG1-O 3.28Å; I252-S275 WeakPolarHBondContact CG1-O 3.19Å; C253-S275 PolarHBondContact O-N 3.26Å; S275-A356 VanDerWaalsContact OG-CB 3.28Å; S275-A356 WeakPolarHBondContact OG-CB 3.33Å; S275-D358 WeakPolarHBondContact CB-OD1 3.38Å; S275-D358 VanDerWaalsContact OG-CG 3.3Å; S275-D358 PolarHBondContact OG-OD1 3.45Å; S275-D358 PolarHBondContact OG-OD2 3.46Å; S275-G360 WeakPolarHBondContact OG-CA 3.4Å; S275-C361 WeakPolarHBondContact CA-O 3.1Å
276I87.8Confident80.6Confident18 Ų1848 Ų489%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-114.8119.7175.6-53.9175.7000108.8L289 L335 V341 G360 C361 C363I276-L289 HydrophobicContact CD1-CD1 3.59Å; I276-L289 HydrophobicContact CG1-CD1 4.3Å; I276-L335 HydrophobicContact CD1-CD1 3.36Å; I276-V341 HydrophobicContact CG2-CG2 4.05Å; I276-G360 CarbonylContact O-C 3.49Å; I276-G360 WeakPolarHBondContact O-CA 3.26Å; I276-C361 PolarHBondContact N-O 2.94Å; I276-C361 PolarHBondContact O-N 2.99Å; I276-C363 HydrophobicContact CD1-CB 4.43Å; I276-C363 WeakPolarHBondContact CD1-SG 3.47Å
277S81.8Confident80.6Confident36 Ų3646.7 Ų46.725%0.25223%0.231SC..  trans-137.4167.7-177.360.50000113.4N279 D358S277-N279 PolarHBondContact O-N 2.87Å; S277-D358 VanDerWaalsContact CB-OD2 3.27Å; S277-D358 WeakPolarHBondContact CB-OD2 3.47Å; S277-D358 PolarHBondContact OG-OD2 3.43Å
278E69.2Low80.7Confident151 Ų15142.4 Ų42.471%0.70621%0.211SC*.THydrogen-bonded Turntrans-72.5-23.7-172.4-138.7175.9148.700114.8D280 F344E278-D280 CarbonylContact O-C 3.59Å; E278-D280 PolarHBondContact O-N 3.42Å; E278-F344 HydrophobicContact CB-CE1 3.46Å; E278-F344 VanDerWaalsContact CB-CE1 3.46Å; E278-F344 HydrophobicContact CB-CZ 3.93Å; E278-F344 HydrophobicContact CG-CE1 3.9Å
279N54.6Low80.8Confident147 Ų14742.4 Ų42.479%0.78621%0.211SC*.THydrogen-bonded Turntrans-64-11.4-160.1-93.3-10.5000114.1S277S277-N279 PolarHBondContact O-N 2.87Å
280D53.6Low80.8Confident79 Ų7942.3 Ų42.342%0.42221%0.211SC..SBendtrans-108.190.9172.5-67.9-27000111E278 K282 F283E278-D280 CarbonylContact O-C 3.59Å; E278-D280 PolarHBondContact O-N 3.42Å; D280-K282 PolarHBondContact O-N 3.13Å; D280-F283 HydrophobicContact CB-CD2 3.18Å; D280-F283 HydrophobicContact CB-CE2 3.36Å; D280-F283 HydrophobicContact CB-CG 4.25Å; D280-F283 VanDerWaalsContact CG-CE2 3.46Å
281Q50.5Low80.8Confident171 Ų17142.3 Ų42.380%0.79921%0.211SC*.THydrogen-bonded Turntrans-50.2112.9172.7-67.6-177.2-8.600110.2
282K60Low80.8Confident157 Ų15742.8 Ų42.868%0.68321%0.213SC*.THydrogen-bonded Turntrans84.823.2165.8-48.2171.4-179.11760118.6D280D280-K282 PolarHBondContact O-N 3.13Å
283F71.5Confident80.5Confident75 Ų7544.2 Ų44.233%0.32922%0.218SC..PPolyproline II helixtrans-84.8139.6169.6-63.9-41.3000113.5Y250 D280Y250-F283 HydrophobicContact CD1-CB 3.89Å; Y250-F283 HydrophobicContact CD1-CD1 4.04Å; Y250-F283 HydrophobicContact CD1-CD2 4.06Å; Y250-F283 AromaticContact CD1-CG 3.74Å; Y250-F283 HydrophobicContact CD1-CG 3.74Å; Y250-F283 HydrophobicContact CD2-CB 4.26Å; Y250-F283 AromaticContact CD2-CD2 3.46Å; Y250-F283 HydrophobicContact CD2-CD2 3.46Å; Y250-F283 VanDerWaalsContact CD2-CD2 3.46Å; Y250-F283 HydrophobicContact CD2-CE2 4.05Å; Y250-F283 AromaticContact CD2-CG 3.97Å; Y250-F283 HydrophobicContact CD2-CG 3.97Å; Y250-F283 HydrophobicContact CE1-CB 3.6Å; Y250-F283 HydrophobicContact CE1-CD2 4.46Å; Y250-F283 AromaticContact CE1-CG 4Å; Y250-F283 HydrophobicContact CE1-CG 4Å; Y250-F283 HydrophobicContact CE2-CB 3.98Å; Y250-F283 AromaticContact CE2-CD2 3.91Å; Y250-F283 HydrophobicContact CE2-CD2 3.91Å; Y250-F283 HydrophobicContact CE2-CG 4.2Å; Y250-F283 HydrophobicContact CG-CB 4.22Å; Y250-F283 HydrophobicContact CG-CD1 4.18Å; Y250-F283 AromaticContact CG-CD2 3.55Å; Y250-F283 HydrophobicContact CG-CD2 3.55Å; Y250-F283 AromaticContact CG-CE2 3.98Å; Y250-F283 HydrophobicContact CG-CE2 3.98Å; Y250-F283 AromaticContact CG-CG 3.74Å; Y250-F283 HydrophobicContact CG-CG 3.74Å; Y250-F283 HydrophobicContact CG-CZ 4.48Å; D280-F283 HydrophobicContact CB-CD2 3.18Å; D280-F283 HydrophobicContact CB-CE2 3.36Å; D280-F283 HydrophobicContact CB-CG 4.25Å; D280-F283 VanDerWaalsContact CG-CE2 3.46Å
284C82.2Confident80.2Confident30 Ų3044.5 Ų44.520%0.20322%0.222CC..BIsolated β-bridgetrans-83.1151.7175.2-60.50000110.8Y250 T339Y250-C284 WeakPolarHBondContact CE1-O 3.41Å; Y250-C284 PolarHBondContact OH-O 3.23Å; C284-T339 WeakPolarHBondContact CA-O 3.34Å
285I88.7Confident79.8Confident5 Ų546.8 Ų46.83%0.02624%0.236CC..PPolyproline II helixtrans-59.8128176.8-70160.5000109.2A287 L289 V298 L335 F336 G337 G338 T339 V341I285-A287 WeakPolarHBondContact CG2-O 3.37Å; I285-L289 HydrophobicContact CG2-CD1 3.79Å; I285-L289 HydrophobicContact CG2-CG 4.05Å; I285-V298 HydrophobicContact CD1-CG1 4.07Å; I285-V298 HydrophobicContact CD1-CG2 4.13Å; I285-L335 HydrophobicContact CD1-CB 3.8Å; I285-L335 HydrophobicContact CD1-CD1 4.49Å; I285-L335 HydrophobicContact CG2-CB 4.43Å; I285-F336 WeakPolarHBondContact CG2-O 3.07Å; I285-G337 CarbonylContact O-C 3.58Å; I285-G338 PolarHBondContact O-N 3.19Å; I285-T339 WeakPolarHBondContact CD1-OG1 3.48Å; I285-T339 PolarHBondContact N-O 3.15Å; I285-V341 HydrophobicContact CD1-CG2 3.66Å; I285-V341 HydrophobicContact CG1-CG2 3.78Å
286P86.8Confident79.6Confident14 Ų1446.7 Ų46.79%0.09124%0.235CC..  trans-83-18.7-167.630.9-35.8000114.4N176 Y250 T265 L268N176-P286 PolarHBondContact ND2-O 3.31Å; N176-P286 PolarHBondContact OD1-O 3.03Å; Y250-P286 WeakPolarHBondContact OH-CD 3.4Å; T265-P286 HydrophobicContact CG2-CB 3.63Å; T265-P286 HydrophobicContact CG2-CG 3.85Å; L268-P286 HydrophobicContact CD1-CB 4.05Å; L268-P286 HydrophobicContact CD1-CG 3.61Å
287A88.9Confident79.4Confident0 Ų046.7 Ų46.70%024%0.235CC..SBendtrans-152.9170.7-17200000109.7I285 L289 G337 V365 R367 T368I285-A287 WeakPolarHBondContact CG2-O 3.37Å; A287-L289 HydrophobicContact CB-CD2 4.06Å; A287-L289 WeakPolarHBondContact O-CG 3.49Å; A287-L289 PolarHBondContact O-N 3.02Å; A287-G337 WeakPolarHBondContact O-CA 3.49Å; A287-G337 PolarHBondContact O-N 3.02Å; A287-V365 HydrophobicContact CB-CG1 4.06Å; A287-R367 WeakPolarHBondContact CB-O 3.37Å; A287-T368 HydrophobicContact CB-CG2 4.39Å
288D91.7Very high79.6Confident0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-76.6118.4171-68-19.5000108.3L335 F336 G337 L366 R367 T372 S373D288-L335 CarbonylContact C-O 3.55Å; D288-L335 WeakPolarHBondContact CA-O 3.24Å; D288-F336 WeakPolarHBondContact OD1-CA 3.42Å; D288-G337 PolarHBondContact OD1-N 3.4Å; D288-L366 WeakPolarHBondContact O-CB 3.5Å; D288-L366 PolarHBondContact O-N 3.48Å; D288-R367 HydrophobicContact CB-CB 4.25Å; D288-R367 PolarHBondContact N-O 2.96Å; D288-R367 PolarHBondContact O-N 2.96Å; D288-T372 VanDerWaalsContact OD2-CA 3.29Å; D288-T372 WeakPolarHBondContact OD2-CA 3.44Å; D288-S373 PolarHBondContact OD1-N 3.5Å; D288-S373 PolarHBondContact OD1-OG 2.99Å; D288-S373 PolarHBondContact OD2-N 2.9Å
289L92.2Very high80.1Confident0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-116.6143.1-174.9-45.5174.4000111.1V274 I276 I285 A287 I334 L335 C363 F364 V365V274-L289 HydrophobicContact CG2-CD1 3.86Å; V274-L289 HydrophobicContact CG2-CD2 3.99Å; I276-L289 HydrophobicContact CD1-CD1 3.59Å; I276-L289 HydrophobicContact CG1-CD1 4.3Å; I285-L289 HydrophobicContact CG2-CD1 3.79Å; I285-L289 HydrophobicContact CG2-CG 4.05Å; A287-L289 HydrophobicContact CB-CD2 4.06Å; A287-L289 WeakPolarHBondContact O-CG 3.49Å; A287-L289 PolarHBondContact O-N 3.02Å; L289-I334 CarbonylContact O-C 3.49Å; L289-I334 WeakPolarHBondContact O-CA 3.31Å; L289-L335 HydrophobicContact CB-CB 4.19Å; L289-L335 PolarHBondContact N-O 2.95Å; L289-L335 PolarHBondContact O-N 3.22Å; L289-C363 HydrophobicContact CB-CB 3.84Å; L289-C363 HydrophobicContact CD1-CB 4.19Å; L289-F364 CarbonylContact C-O 3.55Å; L289-F364 VanDerWaalsContact CA-O 3.26Å; L289-F364 WeakPolarHBondContact CA-O 3.36Å; L289-V365 HydrophobicContact CD2-CB 4.13Å; L289-V365 HydrophobicContact CD2-CG1 4.29Å; L289-V365 HydrophobicContact CD2-CG2 3.65Å
290L91.5Very high81.3Confident0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-95122.9169-176.766.3000109.3Y154 L292 C315 F324 Q333 I334 C363 F364 L366Y154-L290 HydrophobicContact CD1-CD2 3.89Å; Y154-L290 HydrophobicContact CD2-CD2 3.86Å; Y154-L290 HydrophobicContact CE1-CD2 4.2Å; Y154-L290 HydrophobicContact CE2-CD2 4.15Å; Y154-L290 HydrophobicContact CG-CD2 3.72Å; L290-L292 HydrophobicContact CD2-CD2 4.3Å; L290-L292 PolarHBondContact O-N 3.2Å; L290-C315 VanDerWaalsContact CD1-SG 3.55Å; L290-F324 HydrophobicContact CD1-CD2 4.1Å; L290-F324 HydrophobicContact CD1-CE2 3.49Å; L290-F324 VanDerWaalsContact CD1-CE2 3.49Å; L290-F324 HydrophobicContact CD1-CZ 3.77Å; L290-Q333 HydrophobicContact CD1-CB 3.93Å; L290-I334 HydrophobicContact CD1-CG1 4.4Å; L290-C363 CarbonylContact O-C 3.6Å; L290-C363 WeakPolarHBondContact O-CA 3.1Å; L290-C363 WeakPolarHBondContact O-CB 3.37Å; L290-F364 HydrophobicContact CB-CB 4.26Å; L290-F364 PolarHBondContact N-O 3.47Å; L290-F364 PolarHBondContact O-N 3.46Å; L290-L366 HydrophobicContact CB-CD1 3.97Å; L290-L366 HydrophobicContact CB-CD2 4.13Å; L290-L366 HydrophobicContact CB-CG 3.93Å
291L90.3Very high82Confident0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-75.6104.2-179.7-173.859.3000110.1G294 C296 K312 P314 C315 Q333 L335 C361L291-G294 WeakPolarHBondContact CD2-O 3.35Å; L291-G294 WeakPolarHBondContact CG-O 3.47Å; L291-C296 HydrophobicContact CD2-CB 4.45Å; L291-K312 HydrophobicContact CD2-CB 3.95Å; L291-P314 HydrophobicContact CG-CB 4.47Å; L291-P314 WeakPolarHBondContact O-CA 3.4Å; L291-C315 PolarHBondContact O-N 3.31Å; L291-C315 PolarHBondContact O-SG 2.92Å; L291-C315 VanDerWaalsContact O-SG 3.36Å; L291-Q333 VanDerWaalsContact CB-O 3.29Å; L291-Q333 WeakPolarHBondContact CB-O 3.47Å; L291-Q333 PolarHBondContact N-O 3.15Å; L291-L335 HydrophobicContact CD1-CD1 4.38Å; L291-C361 HydrophobicContact CD1-CB 3.89Å
292L89.1Confident82.9Confident11 Ų1124.6 Ų24.66%0.05813%0.127CC..EExtended strand (participates in β ladder)trans-80.5-45.2177.6-60.3179.7000110.8L155 L290 P314 I362 F364L155-L292 HydrophobicContact CD2-CD2 4.49Å; L290-L292 HydrophobicContact CD2-CD2 4.3Å; L290-L292 PolarHBondContact O-N 3.2Å; L292-P314 WeakPolarHBondContact O-CB 3.39Å; L292-I362 WeakPolarHBondContact CA-O 3.3Å; L292-I362 WeakPolarHBondContact CB-O 3.47Å; L292-I362 HydrophobicContact CD1-CG2 4.32Å; L292-I362 PolarHBondContact N-O 3.14Å; L292-F364 HydrophobicContact CD1-CB 4.08Å; L292-F364 HydrophobicContact CD2-CB 4.34Å; L292-F364 HydrophobicContact CG-CB 4.18Å
293R85.1Confident83.3Confident30 Ų3018.8 Ų18.811%0.11310%0.103CC..EExtended strand (participates in β ladder)trans-143.9145.8-175.2-67.1-163.5170.396.429.7113.8E316 P347 S353 L354 C361 I362R293-E316 HydrophobicContact CG-CG 4.33Å; R293-E316 IonicContact CZ-OE1 3.15Å; R293-E316 IonicContact NE-OE1 2.63Å; R293-E316 PolarHBondContact NE-OE1 2.97Å; R293-E316 IonicContact NE-OE2 3.71Å; R293-E316 IonicContact NH2-OE1 2.81Å; R293-E316 PolarHBondContact NH2-OE1 2.72Å; R293-P347 HydrophobicContact CB-CB 4.13Å; R293-S353 PolarHBondContact NE-OG 2.97Å; R293-S353 PolarHBondContact NH1-OG 3.48Å; R293-S353 VanDerWaalsContact NH1-OG 3.14Å; R293-S353 PolarHBondContact NH2-OG 2.89Å; R293-L354 PolarHBondContact NH1-O 3.45Å; R293-C361 CarbonylContact O-C 3.51Å; R293-C361 WeakPolarHBondContact O-CA 3.2Å; R293-C361 WeakPolarHBondContact O-CB 3.26Å; R293-I362 HydrophobicContact CB-CB 4.18Å; R293-I362 PolarHBondContact N-O 2.99Å; R293-I362 PolarHBondContact O-N 3.42Å
294G85.5Confident83Confident8 Ų816.2 Ų16.28%0.0829%0.094CC..SBendtrans82.6167.3-173.900000111L291 P314 T345L291-G294 WeakPolarHBondContact CD2-O 3.35Å; L291-G294 WeakPolarHBondContact CG-O 3.47Å; G294-P314 WeakPolarHBondContact O-CB 3.44Å; G294-P314 WeakPolarHBondContact O-CD 3.32Å; G294-T345 WeakPolarHBondContact CA-O 3.41Å
295T84.6Confident81.8Confident48 Ų4815.7 Ų15.729%0.2949%0.094SC..EExtended strand (participates in β ladder)trans-113.7142.8177.5570000109.2K312 P314 F344 T345T295-K312 WeakPolarHBondContact CA-O 3.32Å; T295-P314 HydrophobicContact CG2-CG 4.46Å; T295-F344 CarbonylContact O-C 3.44Å; T295-F344 VanDerWaalsContact O-CA 3.27Å; T295-F344 WeakPolarHBondContact O-CA 3.21Å; T295-T345 PolarHBondContact N-O 3.39Å; T295-T345 VanDerWaalsContact N-O 3.17Å; T295-T345 PolarHBondContact O-N 2.93Å; T295-T345 WeakPolarHBondContact OG1-CB 3.5Å; T295-T345 PolarHBondContact OG1-OG1 3.4Å; T295-T345 VanDerWaalsContact OG1-OG1 3.13Å
296C86.5Confident80.6Confident1 Ų120.6 Ų20.61%0.00712%0.116CC..EExtended strand (participates in β ladder)trans-124.3149.7178.2-62.50000110L291 V298 S311 K312 L335L291-C296 HydrophobicContact CD2-CB 4.45Å; C296-V298 HydrophobicContact CB-CG2 4.19Å; C296-S311 CarbonylContact O-C 3.55Å; C296-K312 PolarHBondContact N-O 3.28Å; C296-K312 PolarHBondContact O-N 3.21Å; C296-L335 HydrophobicContact CB-CD2 3.92Å
297I83.3Confident79Confident18 Ų1823.1 Ų23.19%0.09213%0.134CC..EExtended strand (participates in β ladder)trans-115.7121.7168.3-60.7166000106P309 V342 Q343 I531I297-P309 HydrophobicContact CG2-CB 3.96Å; I297-V342 HydrophobicContact CG2-CB 4.31Å; I297-V342 PolarHBondContact O-N 3.39Å; I297-Q343 HydrophobicContact CB-CB 4.31Å; I297-Q343 HydrophobicContact CD1-CB 4.12Å; I297-Q343 HydrophobicContact CD1-CG 4.37Å; I297-Q343 PolarHBondContact N-O 3.35Å; I297-Q343 PolarHBondContact O-N 3.46Å; I297-I531 HydrophobicContact CD1-CD1 3.38Å; I297-I531 HydrophobicContact CD1-CG2 4.45Å; I297-I531 HydrophobicContact CG1-CD1 4.19Å
298V85.3Confident77.9Confident0 Ų024.4 Ų24.40%014%0.142CC..EExtended strand (participates in β ladder)trans-123133.1-169.9-179.90000109.4I285 C296 E300 P309 V310 K312 L335 T339 K340 V341I285-V298 HydrophobicContact CD1-CG1 4.07Å; I285-V298 HydrophobicContact CD1-CG2 4.13Å; C296-V298 HydrophobicContact CB-CG2 4.19Å; V298-E300 HydrophobicContact CB-CG 4.48Å; V298-E300 HydrophobicContact CG1-CG 3.99Å; V298-E300 PolarHBondContact O-N 2.9Å; V298-P309 CarbonylContact O-C 3.59Å; V298-P309 VanDerWaalsContact O-CA 3.24Å; V298-P309 WeakPolarHBondContact O-CA 3.33Å; V298-V310 PolarHBondContact N-O 2.91Å; V298-V310 PolarHBondContact O-N 3.4Å; V298-K312 HydrophobicContact CG2-CG 4.3Å; V298-L335 HydrophobicContact CG2-CD2 3.54Å; V298-T339 HydrophobicContact CG1-CG2 4.23Å; V298-T339 WeakPolarHBondContact CG1-OG1 3.47Å; V298-K340 CarbonylContact C-O 3.54Å; V298-K340 WeakPolarHBondContact CA-O 3.45Å; V298-V341 HydrophobicContact CG2-CG2 4.43Å
299D81Confident77.1Confident48 Ų4825.4 Ų25.426%0.25715%0.148SC..EExtended strand (participates in β ladder)trans-82.2104.1166.6-176.3-0.8000108.9S301 T339 K340 V342D299-S301 WeakPolarHBondContact OD1-CB 3.36Å; D299-S301 PolarHBondContact OD1-N 3.19Å; D299-S301 PolarHBondContact OD1-OG 3.12Å; D299-T339 WeakPolarHBondContact O-CB 3.27Å; D299-K340 HydrophobicContact CB-CB 4.36Å; D299-K340 PolarHBondContact N-O 3.02Å; D299-K340 PolarHBondContact O-N 3.02Å; D299-V342 HydrophobicContact CB-CG2 3.84Å
300E79.5Confident76.5Confident3 Ų327.4 Ų27.41%0.01416%0.16CC..  trans-93.98177.5-56.4-165.516700113V298 M302 L303 T304 V310 K312 F336 T339V298-E300 HydrophobicContact CB-CG 4.48Å; V298-E300 HydrophobicContact CG1-CG 3.99Å; V298-E300 PolarHBondContact O-N 2.9Å; E300-M302 PolarHBondContact O-N 3.43Å; E300-L303 PolarHBondContact O-N 3.47Å; E300-T304 HydrophobicContact CB-CG2 4.34Å; E300-T304 PolarHBondContact O-N 2.96Å; E300-T304 PolarHBondContact O-OG1 3.03Å; E300-V310 HydrophobicContact CG-CB 4.47Å; E300-V310 HydrophobicContact CG-CG2 4.36Å; E300-K312 WeakPolarHBondContact OE1-CE 3.29Å; E300-K312 IonicContact OE1-NZ 3.43Å; E300-K312 PolarHBondContact OE1-NZ 2.9Å; E300-F336 WeakPolarHBondContact OE1-CD2 3.18Å; E300-T339 HydrophobicContact CB-CG2 4.23Å; E300-T339 HydrophobicContact CG-CG2 4.05Å
301S68.1Low76Confident39 Ų3928.3 Ų28.327%0.27317%0.167SC..Hα-helixtrans-51.9-31.8-176.657.10000113.4D299 L303 G305 E306D299-S301 WeakPolarHBondContact OD1-CB 3.36Å; D299-S301 PolarHBondContact OD1-N 3.19Å; D299-S301 PolarHBondContact OD1-OG 3.12Å; S301-L303 VanDerWaalsContact C-N 3.29Å; S301-L303 PolarHBondContact O-N 3.27Å; S301-G305 WeakPolarHBondContact O-CA 3.04Å; S301-G305 PolarHBondContact O-N 3.36Å; S301-E306 WeakPolarHBondContact CA-O 3.28Å; S301-E306 VanDerWaalsContact CB-O 3.3Å; S301-E306 WeakPolarHBondContact CB-O 3.44Å
302M68.2Low75.8Confident29 Ų2928.4 Ų28.414%0.14317%0.167CC..Hα-helixtrans-60.3-34.7175.2-167.2-163.366.700113.6E300 Q374 N922E300-M302 PolarHBondContact O-N 3.43Å; M302-Q374 HydrophobicContact CE-CB 4.06Å; M302-Q374 HydrophobicContact CE-CG 3.83Å; M302-N922 HydrophobicContact CG-CB 4Å; M302-N922 HydrophobicContact SD-CB 4.28Å; M302-N922 PolarHBondContact SD-ND2 3.41Å
303L70.1Confident75.5Confident35 Ų3529.6 Ų29.618%0.18317%0.174CC..Hα-helixtrans-100.1-39.7-173.7-66.5175.2000112.9E300 S301 F336 T339 Q374E300-L303 PolarHBondContact O-N 3.47Å; S301-L303 VanDerWaalsContact C-N 3.29Å; S301-L303 PolarHBondContact O-N 3.27Å; L303-F336 HydrophobicContact CD1-CB 3.24Å; L303-F336 HydrophobicContact CD1-CD2 4.31Å; L303-F336 HydrophobicContact CD1-CG 3.9Å; L303-T339 HydrophobicContact CD1-CG2 3.48Å; L303-T339 VanDerWaalsContact CD1-CG2 3.48Å; L303-T339 HydrophobicContact CG-CG2 4.12Å; L303-Q374 HydrophobicContact CD2-CB 4.29Å
304T64.8Low75.6Confident22 Ų2228.9 Ų28.914%0.13517%0.173CC..Hα-helixtrans-100.1-19.2-175.859.90000112.5E300 E306 N829E300-T304 HydrophobicContact CB-CG2 4.34Å; E300-T304 PolarHBondContact O-N 2.96Å; E300-T304 PolarHBondContact O-OG1 3.03Å; T304-E306 PolarHBondContact O-N 3.22Å; T304-E306 VanDerWaalsContact O-N 3.17Å; T304-E306 PolarHBondContact OG1-N 3.36Å; T304-N829 VanDerWaalsContact O-CG 3.23Å; T304-N829 PolarHBondContact O-ND2 2.81Å; T304-N829 VanDerWaalsContact O-ND2 3.1Å; T304-N829 PolarHBondContact O-OD1 3.19Å
305G57.4Low75.4Confident19 Ų1928.5 Ų28.520%0.19617%0.169CC..  trans76.9-14-17100000116.1S301 S307 T828S301-G305 WeakPolarHBondContact O-CA 3.04Å; S301-G305 PolarHBondContact O-N 3.36Å; G305-S307 PolarHBondContact O-N 2.91Å; G305-T828 VanDerWaalsContact CA-CG2 3.46Å; G305-T828 WeakPolarHBondContact CA-OG1 3.49Å
306E61.7Low74.9Confident107 Ų10730.1 Ų30.150%0.517%0.173SC..  trans-73.2121.9177.3-63.4-179.2170.600107.7S301 T304 V308S301-E306 WeakPolarHBondContact CA-O 3.28Å; S301-E306 VanDerWaalsContact CB-O 3.3Å; S301-E306 WeakPolarHBondContact CB-O 3.44Å; T304-E306 PolarHBondContact O-N 3.22Å; T304-E306 VanDerWaalsContact O-N 3.17Å; T304-E306 PolarHBondContact OG1-N 3.36Å; E306-V308 HydrophobicContact CB-CG2 4.37Å; E306-V308 PolarHBondContact O-N 3.38Å
307S54Low74.1Confident67 Ų6735.7 Ų35.747%0.46921%0.207SC..  trans-663.3173.456.80000113.2G305 P309G305-S307 PolarHBondContact O-N 2.91Å; S307-P309 WeakPolarHBondContact O-CD 3.49Å
308V66.2Low73.6Confident27 Ų2737 Ų3716%0.16421%0.214CC..PPolyproline II helixtrans-86.1116.9-177-171.20000109.9E306 D541 P542E306-V308 HydrophobicContact CB-CG2 4.37Å; E306-V308 PolarHBondContact O-N 3.38Å; V308-D541 VanDerWaalsContact CG1-CA 3.43Å; V308-D541 HydrophobicContact CG1-CB 3.83Å; V308-D541 HydrophobicContact CG2-CB 4.36Å; V308-P542 HydrophobicContact CG2-CG 4.21Å
309P75Confident72.9Confident21 Ų2145.4 Ų45.414%0.13625%0.251CS..EExtended strand (participates in β ladder)trans-70.2136.9169.425.1-27.9000110.4I297 V298 S307 V342 I539I297-P309 HydrophobicContact CG2-CB 3.96Å; V298-P309 CarbonylContact O-C 3.59Å; V298-P309 VanDerWaalsContact O-CA 3.24Å; V298-P309 WeakPolarHBondContact O-CA 3.33Å; S307-P309 WeakPolarHBondContact O-CD 3.49Å; P309-V342 HydrophobicContact CB-CG2 4.44Å; P309-I539 HydrophobicContact CB-CG2 4.15Å; P309-I539 HydrophobicContact CG-CG2 3.15Å
310V79.3Confident72.3Confident42 Ų4245.3 Ų45.326%0.25526%0.256SS..EExtended strand (participates in β ladder)trans-102.4127.9-176.1-177.40000109V298 E300 K312V298-V310 PolarHBondContact N-O 2.91Å; V298-V310 PolarHBondContact O-N 3.4Å; E300-V310 HydrophobicContact CG-CB 4.47Å; E300-V310 HydrophobicContact CG-CG2 4.36Å; V310-K312 HydrophobicContact CG1-CD 4.34Å
311S80.2Confident71.8Confident19 Ų1951.5 Ų51.513%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-80.2137.4170.864.10000110.9C296 R579C296-S311 CarbonylContact O-C 3.55Å; S311-R579 PolarHBondContact OG-NE 3.48Å; S311-R579 PolarHBondContact OG-NH2 3.45Å
312K86.2Confident72.2Confident2 Ų253.5 Ų53.51%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-119.8135-175.6-59.5-72.6-178.5156.10110.5L291 T295 C296 V298 E300 V310 K331 T332 I334 L335L291-K312 HydrophobicContact CD2-CB 3.95Å; T295-K312 WeakPolarHBondContact CA-O 3.32Å; C296-K312 PolarHBondContact N-O 3.28Å; C296-K312 PolarHBondContact O-N 3.21Å; V298-K312 HydrophobicContact CG2-CG 4.3Å; E300-K312 WeakPolarHBondContact OE1-CE 3.29Å; E300-K312 IonicContact OE1-NZ 3.43Å; E300-K312 PolarHBondContact OE1-NZ 2.9Å; V310-K312 HydrophobicContact CG1-CD 4.34Å; K312-K331 PolarHBondContact NZ-O 2.76Å; K312-T332 WeakPolarHBondContact CA-O 3.3Å; K312-T332 WeakPolarHBondContact CB-O 3.26Å; K312-T332 WeakPolarHBondContact CD-O 3.4Å; K312-I334 WeakPolarHBondContact CD-O 2.9Å; K312-I334 VanDerWaalsContact CE-O 3.26Å; K312-I334 WeakPolarHBondContact CE-O 3.34Å; K312-I334 PolarHBondContact NZ-O 2.76Å; K312-L335 HydrophobicContact CB-CD2 3.92Å; K312-L335 HydrophobicContact CG-CD2 3.77Å
313D84.3Confident72.5Confident37 Ų3758.3 Ų58.320%0.19832%0.317CS..  trans-107149.4-176.1-62.6-40.1000111.5T332 R579D313-T332 PolarHBondContact N-O 3.22Å; D313-T332 VanDerWaalsContact N-O 3.1Å; D313-R579 VanDerWaalsContact CG-NH1 3.26Å; D313-R579 IonicContact OD1-CZ 3.66Å; D313-R579 IonicContact OD1-NH1 2.64Å; D313-R579 PolarHBondContact OD1-NH1 3.39Å; D313-R579 VanDerWaalsContact OD1-NH1 3.11Å; D313-R579 IonicContact OD1-NH2 3.89Å; D313-R579 PolarHBondContact OD1-NH2 3.24Å; D313-R579 IonicContact OD2-CZ 2.86Å; D313-R579 IonicContact OD2-NH1 3.6Å; D313-R579 PolarHBondContact OD2-NH1 3.02Å; D313-R579 IonicContact OD2-NH2 3.65Å
314P86.4Confident72.8Confident14 Ų1456.8 Ų56.89%0.09131%0.308CS..  trans-74.7148.4177.928-32.1000112.2L291 L292 G294 T295 E316 V317L291-P314 HydrophobicContact CG-CB 4.47Å; L291-P314 WeakPolarHBondContact O-CA 3.4Å; L292-P314 WeakPolarHBondContact O-CB 3.39Å; G294-P314 WeakPolarHBondContact O-CB 3.44Å; G294-P314 WeakPolarHBondContact O-CD 3.32Å; T295-P314 HydrophobicContact CG2-CG 4.46Å; P314-E316 PolarHBondContact O-N 3.4Å; P314-E316 VanDerWaalsContact O-N 3.09Å; P314-V317 HydrophobicContact CG-CG2 4.19Å; P314-V317 PolarHBondContact O-N 2.96Å
315C81.3Confident73.2Confident1 Ų159.3 Ų59.31%0.00732%0.324CS..G310 helixtrans-60.1-18.4174.7-65.30000114.2M151 L290 L291 V317 L318M151-C315 HydrophobicContact SD-CB 4.15Å; L290-C315 VanDerWaalsContact CD1-SG 3.55Å; L291-C315 PolarHBondContact O-N 3.31Å; L291-C315 PolarHBondContact O-SG 2.92Å; L291-C315 VanDerWaalsContact O-SG 3.36Å; C315-V317 PolarHBondContact O-N 3.33Å; C315-L318 WeakPolarHBondContact O-CB 3.22Å; C315-L318 PolarHBondContact O-N 3.14Å; C315-L318 VanDerWaalsContact O-N 3.08Å
316E75Confident73.8Confident82 Ų8260.1 Ų60.138%0.38332%0.322SS..G310 helixtrans-60.5-22.6176.4-73.8-171.1149.600114.4L155 R293 P314 L318L155-E316 HydrophobicContact CD2-CG 3.95Å; R293-E316 HydrophobicContact CG-CG 4.33Å; R293-E316 IonicContact CZ-OE1 3.15Å; R293-E316 IonicContact NE-OE1 2.63Å; R293-E316 PolarHBondContact NE-OE1 2.97Å; R293-E316 IonicContact NE-OE2 3.71Å; R293-E316 IonicContact NH2-OE1 2.81Å; R293-E316 PolarHBondContact NH2-OE1 2.72Å; P314-E316 PolarHBondContact O-N 3.4Å; P314-E316 VanDerWaalsContact O-N 3.09Å; E316-L318 VanDerWaalsContact C-N 3.28Å
317V69.9Low73.9Confident118 Ų11856.9 Ų56.972%0.71532%0.318SS*.G310 helixtrans-76.1-20.7177.9-177.20000111.6P314 C315P314-V317 HydrophobicContact CG-CG2 4.19Å; P314-V317 PolarHBondContact O-N 2.96Å; C315-V317 PolarHBondContact O-N 3.33Å
318L72.1Confident74.3Confident46 Ų4660.7 Ų60.724%0.24133%0.333CS..SBendtrans-83.5160.6-177.2-61.4175000112.2M151 C315 E316 H330 Q333M151-L318 HydrophobicContact CE-CD1 3.58Å; M151-L318 HydrophobicContact SD-CD1 4.42Å; C315-L318 WeakPolarHBondContact O-CB 3.22Å; C315-L318 PolarHBondContact O-N 3.14Å; C315-L318 VanDerWaalsContact O-N 3.08Å; E316-L318 VanDerWaalsContact C-N 3.28Å; L318-H330 WeakPolarHBondContact CD1-ND1 3.08Å; L318-Q333 HydrophobicContact CD1-CG 4.02Å
319K70.9Confident74.3Confident175 Ų17562 Ų6276%0.76135%0.351SS*.  trans-69.3135.3174.1-67.8179.3-178.91750109.6D321 E322K319-D321 PolarHBondContact O-N 3.07Å; K319-D321 VanDerWaalsContact O-N 3.13Å; K319-E322 WeakPolarHBondContact O-CB 3.29Å; K319-E322 PolarHBondContact O-N 2.8Å
320A67.1Low74.3Confident46 Ų4661.2 Ų61.238%0.3835%0.346SS..THydrogen-bonded Turntrans-61.8-24.8-174.400000114.6K152K152-A320 PolarHBondContact N-O 2.99Å; K152-A320 VanDerWaalsContact N-O 3.14Å
321D70.8Confident74.2Confident134 Ų13463.9 Ų63.972%0.71735%0.354SS*.THydrogen-bonded Turntrans-88.7-0.5-176.2-59.4-32.9000113.8K319K319-D321 PolarHBondContact O-N 3.07Å; K319-D321 VanDerWaalsContact O-N 3.13Å
322E74.7Confident74.2Confident81 Ų8165.7 Ų65.738%0.37936%0.364SS..PPolyproline II helixtrans-74.6141.8-179.5-158.1173.8168.100111.8M151 K319 H330M151-E322 HydrophobicContact CG-CB 4.41Å; M151-E322 WeakPolarHBondContact CG-O 3.41Å; M151-E322 PolarHBondContact N-O 3.43Å; K319-E322 WeakPolarHBondContact O-CB 3.29Å; K319-E322 PolarHBondContact O-N 2.8Å; E322-H330 IonicContact OE1-CE1 2.82Å; E322-H330 PolarHBondContact OE1-CE1 3.11Å; E322-H330 IonicContact OE1-NE2 2.69Å; E322-H330 PolarHBondContact OE1-NE2 3.24Å; E322-H330 VanDerWaalsContact OE1-NE2 3.08Å; E322-H330 IonicContact OE2-CE1 3.79Å
323H74.4Confident74.2Confident129 Ų12966.1 Ų66.160%0.59737%0.367SS*.BIsolated β-bridgetrans-87.3126.1174.9-71.770.4000109.3T325 H330H323-T325 PolarHBondContact O-N 3.01Å; H323-H330 PolarHBondContact O-NE2 3.46Å
324F77Confident74.4Confident3 Ų364.4 Ų64.41%0.01336%0.357CS..PPolyproline II helixtrans-67.6134.6177.3178.6-118.6000110V147 W149 M151 Y154 L290 F326 H330 I334 L366V147-F324 HydrophobicContact CG1-CE1 4.26Å; V147-F324 WeakPolarHBondContact O-CD1 3.39Å; W149-F324 WeakPolarHBondContact O-CB 3.4Å; W149-F324 PolarHBondContact O-N 3.12Å; M151-F324 HydrophobicContact CE-CB 3.81Å; M151-F324 HydrophobicContact CE-CD2 3.6Å; M151-F324 HydrophobicContact CE-CG 4.12Å; M151-F324 HydrophobicContact SD-CB 4.33Å; Y154-F324 HydrophobicContact CD2-CB 4.39Å; Y154-F324 HydrophobicContact CE2-CB 3.7Å; Y154-F324 AromaticContact CE2-CD1 3.84Å; Y154-F324 HydrophobicContact CE2-CD1 3.84Å; Y154-F324 HydrophobicContact CE2-CG 4Å; L290-F324 HydrophobicContact CD1-CD2 4.1Å; L290-F324 HydrophobicContact CD1-CE2 3.49Å; L290-F324 VanDerWaalsContact CD1-CE2 3.49Å; L290-F324 HydrophobicContact CD1-CZ 3.77Å; F324-F326 HydrophobicContact CE1-CD2 4.49Å; F324-F326 HydrophobicContact CZ-CD2 4.45Å; F324-H330 HydrophobicContact CD2-CB 3.53Å; F324-H330 AromaticContact CD2-CG 3.82Å; F324-H330 HydrophobicContact CE2-CB 3.48Å; F324-H330 VanDerWaalsContact CE2-CB 3.48Å; F324-I334 HydrophobicContact CE2-CD1 3.99Å; F324-I334 HydrophobicContact CE2-CG1 3.98Å; F324-I334 HydrophobicContact CZ-CD1 3.56Å; F324-I334 HydrophobicContact CZ-CG1 3.69Å; F324-L366 HydrophobicContact CE1-CD1 3.86Å; F324-L366 HydrophobicContact CE1-CD2 3.83Å; F324-L366 HydrophobicContact CZ-CD1 3.79Å; F324-L366 HydrophobicContact CZ-CD2 4.49Å
325T73.7Confident74.5Confident75 Ų7563.7 Ų63.746%0.4635%0.353SS..  trans-131.2115.7177.4-57.90000108.4H323 G327 H330H323-T325 PolarHBondContact O-N 3.01Å; T325-G327 PolarHBondContact O-N 3.34Å; T325-H330 PolarHBondContact N-CD2 2.94Å; T325-H330 VanDerWaalsContact N-CD2 3.34Å; T325-H330 PolarHBondContact O-N 2.88Å
326F70Confident74.9Confident37 Ų3764.5 Ų64.516%0.16236%0.356CS..THydrogen-bonded Turntrans-64.1-20.5-174.9-169.6-89000115.2V147 F324 I334 F336 L366 R367V147-F326 HydrophobicContact CG1-CB 3.46Å; V147-F326 VanDerWaalsContact CG1-CB 3.46Å; V147-F326 HydrophobicContact CG1-CD2 3.87Å; V147-F326 HydrophobicContact CG1-CG 3.95Å; F324-F326 HydrophobicContact CE1-CD2 4.49Å; F324-F326 HydrophobicContact CZ-CD2 4.45Å; F326-I334 HydrophobicContact CD2-CD1 3.8Å; F326-I334 HydrophobicContact CE2-CD1 4.08Å; F326-I334 HydrophobicContact CE2-CG2 4.34Å; F326-I334 HydrophobicContact CG-CD1 4.21Å; F326-F336 HydrophobicContact CE1-CE1 4.35Å; F326-F336 AromaticContact CZ-CE1 3.99Å; F326-F336 HydrophobicContact CZ-CE1 3.99Å; F326-L366 HydrophobicContact CD2-CD1 4.14Å; F326-L366 HydrophobicContact CE2-CD1 4.1Å; F326-R367 VanDerWaalsContact CZ-NH1 3.27Å
327G63.5Low75.4Confident39 Ų3960.6 Ų60.640%0.40234%0.338SS..THydrogen-bonded Turntrans-77.4-109.7-177.800000112.7T325T325-G327 PolarHBondContact O-N 3.34Å
328D62.2Low75.9Confident146 Ų14655.2 Ų55.278%0.78131%0.307SS*.THydrogen-bonded Turntrans-89.6-25.2-165.5-61.9-34.1000114
329G66.3Low76.5Confident54 Ų5453.1 Ų53.156%0.55730%0.296SS*.THydrogen-bonded Turntrans-75.1-41.3-174.800000114.7
330H75.1Confident77.1Confident6 Ų649 Ų493%0.02828%0.278CS..SBendtrans-122.825.6-167.5-63.5-79.2000114.2M151 L318 E322 H323 F324 T325 T332 Q333 I334M151-H330 WeakPolarHBondContact CE-ND1 3.49Å; L318-H330 WeakPolarHBondContact CD1-ND1 3.08Å; E322-H330 IonicContact OE1-CE1 2.82Å; E322-H330 PolarHBondContact OE1-CE1 3.11Å; E322-H330 IonicContact OE1-NE2 2.69Å; E322-H330 PolarHBondContact OE1-NE2 3.24Å; E322-H330 VanDerWaalsContact OE1-NE2 3.08Å; E322-H330 IonicContact OE2-CE1 3.79Å; H323-H330 PolarHBondContact O-NE2 3.46Å; F324-H330 HydrophobicContact CD2-CB 3.53Å; F324-H330 AromaticContact CD2-CG 3.82Å; F324-H330 HydrophobicContact CE2-CB 3.48Å; F324-H330 VanDerWaalsContact CE2-CB 3.48Å; T325-H330 PolarHBondContact N-CD2 2.94Å; T325-H330 VanDerWaalsContact N-CD2 3.34Å; T325-H330 PolarHBondContact O-N 2.88Å; H330-T332 PolarHBondContact O-N 3.06Å; H330-Q333 PolarHBondContact O-N 3.49Å; H330-Q333 PolarHBondContact O-OE1 3.33Å; H330-I334 WeakPolarHBondContact O-CG1 3.34Å
331K77.3Confident78Confident97 Ų9748.3 Ų48.342%0.42227%0.269SS..G310 helixtrans-61.9-27.2-179.8-164.6-177.7176.7-172.90112.8K312 Q333 I334 F336K312-K331 PolarHBondContact NZ-O 2.76Å; K331-Q333 VanDerWaalsContact C-N 3.27Å; K331-Q333 PolarHBondContact O-N 3.36Å; K331-I334 PolarHBondContact O-N 3.38Å; K331-F336 HydrophobicContact CG-CE2 4.06Å; K331-F336 HydrophobicContact CG-CZ 3.89Å
332T79.5Confident78.4Confident57 Ų5744.8 Ų44.835%0.3525%0.252SS..G310 helixtrans-72.7-16.3179.942.70000114.1K312 D313 H330K312-T332 WeakPolarHBondContact CA-O 3.3Å; K312-T332 WeakPolarHBondContact CB-O 3.26Å; K312-T332 WeakPolarHBondContact CD-O 3.4Å; D313-T332 PolarHBondContact N-O 3.22Å; D313-T332 VanDerWaalsContact N-O 3.1Å; H330-T332 PolarHBondContact O-N 3.06Å
333Q86.3Confident78.6Confident12 Ų1243.9 Ų43.96%0.05625%0.248CC..G310 helixtrans-97.6-8.7-180-64.8756.600111.6L290 L291 L318 H330 K331L290-Q333 HydrophobicContact CD1-CB 3.93Å; L291-Q333 VanDerWaalsContact CB-O 3.29Å; L291-Q333 WeakPolarHBondContact CB-O 3.47Å; L291-Q333 PolarHBondContact N-O 3.15Å; L318-Q333 HydrophobicContact CD1-CG 4.02Å; H330-Q333 PolarHBondContact O-N 3.49Å; H330-Q333 PolarHBondContact O-OE1 3.33Å; K331-Q333 VanDerWaalsContact C-N 3.27Å; K331-Q333 PolarHBondContact O-N 3.36Å
334I89.1Confident79Confident0 Ų039.5 Ų39.50%023%0.227CC..EExtended strand (participates in β ladder)trans-99.9129.8-174.6-56.8166.5000110.1L289 L290 K312 F324 F326 H330 K331 F336 L366L289-I334 CarbonylContact O-C 3.49Å; L289-I334 WeakPolarHBondContact O-CA 3.31Å; L290-I334 HydrophobicContact CD1-CG1 4.4Å; K312-I334 WeakPolarHBondContact CD-O 2.9Å; K312-I334 VanDerWaalsContact CE-O 3.26Å; K312-I334 WeakPolarHBondContact CE-O 3.34Å; K312-I334 PolarHBondContact NZ-O 2.76Å; F324-I334 HydrophobicContact CE2-CD1 3.99Å; F324-I334 HydrophobicContact CE2-CG1 3.98Å; F324-I334 HydrophobicContact CZ-CD1 3.56Å; F324-I334 HydrophobicContact CZ-CG1 3.69Å; F326-I334 HydrophobicContact CD2-CD1 3.8Å; F326-I334 HydrophobicContact CE2-CD1 4.08Å; F326-I334 HydrophobicContact CE2-CG2 4.34Å; F326-I334 HydrophobicContact CG-CD1 4.21Å; H330-I334 WeakPolarHBondContact O-CG1 3.34Å; K331-I334 PolarHBondContact O-N 3.38Å; I334-F336 HydrophobicContact CB-CE1 4.37Å; I334-F336 HydrophobicContact CB-CZ 4.33Å; I334-F336 HydrophobicContact CG2-CD1 3.86Å; I334-F336 HydrophobicContact CG2-CE1 3.67Å; I334-F336 HydrophobicContact CG2-CG 4.44Å; I334-F336 HydrophobicContact CG2-CZ 4.11Å; I334-L366 HydrophobicContact CG1-CD1 4.26Å; I334-L366 HydrophobicContact CG2-CD1 4.33Å
335L89.4Confident79.3Confident0 Ų042.7 Ų42.70%025%0.247CC..EExtended strand (participates in β ladder)trans-96.9116.1166.5-53.5176.7000108.1I276 I285 D288 L289 L291 C296 V298 K312I276-L335 HydrophobicContact CD1-CD1 3.36Å; I285-L335 HydrophobicContact CD1-CB 3.8Å; I285-L335 HydrophobicContact CD1-CD1 4.49Å; I285-L335 HydrophobicContact CG2-CB 4.43Å; D288-L335 CarbonylContact C-O 3.55Å; D288-L335 WeakPolarHBondContact CA-O 3.24Å; L289-L335 HydrophobicContact CB-CB 4.19Å; L289-L335 PolarHBondContact N-O 2.95Å; L289-L335 PolarHBondContact O-N 3.22Å; L291-L335 HydrophobicContact CD1-CD1 4.38Å; C296-L335 HydrophobicContact CB-CD2 3.92Å; V298-L335 HydrophobicContact CG2-CD2 3.54Å; K312-L335 HydrophobicContact CB-CD2 3.92Å; K312-L335 HydrophobicContact CG-CD2 3.77Å
336F88.6Confident79.6Confident17 Ų1742.5 Ų42.58%0.07525%0.247CC..PPolyproline II helixtrans-83.3146.4-175.9-66.2-67.1000112.4I285 D288 E300 L303 F326 K331 I334 T339 S373I285-F336 WeakPolarHBondContact CG2-O 3.07Å; D288-F336 WeakPolarHBondContact OD1-CA 3.42Å; E300-F336 WeakPolarHBondContact OE1-CD2 3.18Å; L303-F336 HydrophobicContact CD1-CB 3.24Å; L303-F336 HydrophobicContact CD1-CD2 4.31Å; L303-F336 HydrophobicContact CD1-CG 3.9Å; F326-F336 HydrophobicContact CE1-CE1 4.35Å; F326-F336 AromaticContact CZ-CE1 3.99Å; F326-F336 HydrophobicContact CZ-CE1 3.99Å; K331-F336 HydrophobicContact CG-CE2 4.06Å; K331-F336 HydrophobicContact CG-CZ 3.89Å; I334-F336 HydrophobicContact CB-CE1 4.37Å; I334-F336 HydrophobicContact CB-CZ 4.33Å; I334-F336 HydrophobicContact CG2-CD1 3.86Å; I334-F336 HydrophobicContact CG2-CE1 3.67Å; I334-F336 HydrophobicContact CG2-CG 4.44Å; I334-F336 HydrophobicContact CG2-CZ 4.11Å; F336-T339 HydrophobicContact CB-CG2 3.87Å; F336-T339 WeakPolarHBondContact O-CB 3.39Å; F336-T339 WeakPolarHBondContact O-CG2 3.19Å; F336-T339 PolarHBondContact O-N 3.36Å; F336-T339 PolarHBondContact O-OG1 3.31Å; F336-S373 WeakPolarHBondContact CB-OG 3.39Å
337G86.2Confident80.1Confident0 Ų042.5 Ų42.50%025%0.251CS..THydrogen-bonded Turntrans-56.2140.3173.800000112.4I285 A287 D288 T339 Q374I285-G337 CarbonylContact O-C 3.58Å; A287-G337 WeakPolarHBondContact O-CA 3.49Å; A287-G337 PolarHBondContact O-N 3.02Å; D288-G337 PolarHBondContact OD1-N 3.4Å; G337-T339 PolarHBondContact O-N 2.96Å; G337-Q374 WeakPolarHBondContact O-CB 3.38Å
338G80.7Confident80.6Confident6 Ų644.8 Ų44.86%0.06226%0.26CS..THydrogen-bonded Turntrans77.5-2.4179.300000115.6I285 Q374I285-G338 PolarHBondContact O-N 3.19Å; G338-Q374 VanDerWaalsContact N-OE1 3.09Å
339T83.9Confident80.8Confident1 Ų146.2 Ų46.21%0.00626%0.26CS..PPolyproline II helixtrans-81.5152.2175.663.70000111.3C284 I285 V298 D299 E300 L303 F336 G337C284-T339 WeakPolarHBondContact CA-O 3.34Å; I285-T339 WeakPolarHBondContact CD1-OG1 3.48Å; I285-T339 PolarHBondContact N-O 3.15Å; V298-T339 HydrophobicContact CG1-CG2 4.23Å; V298-T339 WeakPolarHBondContact CG1-OG1 3.47Å; D299-T339 WeakPolarHBondContact O-CB 3.27Å; E300-T339 HydrophobicContact CB-CG2 4.23Å; E300-T339 HydrophobicContact CG-CG2 4.05Å; L303-T339 HydrophobicContact CD1-CG2 3.48Å; L303-T339 VanDerWaalsContact CD1-CG2 3.48Å; L303-T339 HydrophobicContact CG-CG2 4.12Å; F336-T339 HydrophobicContact CB-CG2 3.87Å; F336-T339 WeakPolarHBondContact O-CB 3.39Å; F336-T339 WeakPolarHBondContact O-CG2 3.19Å; F336-T339 PolarHBondContact O-N 3.36Å; F336-T339 PolarHBondContact O-OG1 3.31Å; G337-T339 PolarHBondContact O-N 2.96Å
340K83.9Confident80.4Confident89 Ų8948.4 Ų48.439%0.38727%0.266SS..EExtended strand (participates in β ladder)trans-101.6127.2-175.5-176.3-178.6175.3-170.40110.5V298 D299 V342V298-K340 CarbonylContact C-O 3.54Å; V298-K340 WeakPolarHBondContact CA-O 3.45Å; D299-K340 HydrophobicContact CB-CB 4.36Å; D299-K340 PolarHBondContact N-O 3.02Å; D299-K340 PolarHBondContact O-N 3.02Å; K340-V342 PolarHBondContact O-N 3.38Å
341V84.7Confident79.7Confident32 Ų3250.9 Ų50.919%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-74.3116.4172-175.90000108.5I276 I285 V298 Q343 F344I276-V341 HydrophobicContact CG2-CG2 4.05Å; I285-V341 HydrophobicContact CD1-CG2 3.66Å; I285-V341 HydrophobicContact CG1-CG2 3.78Å; V298-V341 HydrophobicContact CG2-CG2 4.43Å; V341-Q343 WeakPolarHBondContact CG1-O 3.21Å; V341-F344 HydrophobicContact CG1-CB 4.46Å
342V80.3Confident78.8Confident60 Ų6054.9 Ų54.936%0.36431%0.308SS..EExtended strand (participates in β ladder)trans-81.1-40.5175.5-179.30000109.8I297 D299 P309 K340 I539I297-V342 HydrophobicContact CG2-CB 4.31Å; I297-V342 PolarHBondContact O-N 3.39Å; D299-V342 HydrophobicContact CB-CG2 3.84Å; P309-V342 HydrophobicContact CB-CG2 4.44Å; K340-V342 PolarHBondContact O-N 3.38Å; V342-I539 HydrophobicContact CG1-CD1 3.9Å
343Q78.9Confident78.2Confident62 Ų6253.9 Ų53.929%0.2930%0.303SS..EExtended strand (participates in β ladder)trans-156.8153.6-177.9178177.42.200109.9I297 V341 T533I297-Q343 HydrophobicContact CB-CB 4.31Å; I297-Q343 HydrophobicContact CD1-CB 4.12Å; I297-Q343 HydrophobicContact CD1-CG 4.37Å; I297-Q343 PolarHBondContact N-O 3.35Å; I297-Q343 PolarHBondContact O-N 3.46Å; V341-Q343 WeakPolarHBondContact CG1-O 3.21Å; Q343-T533 PolarHBondContact OE1-OG1 2.82Å
344F82.5Confident77.6Confident36 Ų3655.6 Ų55.616%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-137.4155.2167.770.9-78000110.9E278 T295 V341E278-F344 HydrophobicContact CB-CE1 3.46Å; E278-F344 VanDerWaalsContact CB-CE1 3.46Å; E278-F344 HydrophobicContact CB-CZ 3.93Å; E278-F344 HydrophobicContact CG-CE1 3.9Å; T295-F344 CarbonylContact O-C 3.44Å; T295-F344 VanDerWaalsContact O-CA 3.27Å; T295-F344 WeakPolarHBondContact O-CA 3.21Å; V341-F344 HydrophobicContact CG1-CB 4.46Å
345T82.3Confident77Confident71 Ų7161.4 Ų61.444%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-113122.8171.1-49.10000108.3G294 T295 C361G294-T345 WeakPolarHBondContact CA-O 3.41Å; T295-T345 PolarHBondContact N-O 3.39Å; T295-T345 VanDerWaalsContact N-O 3.17Å; T295-T345 PolarHBondContact O-N 2.93Å; T295-T345 WeakPolarHBondContact OG1-CB 3.5Å; T295-T345 PolarHBondContact OG1-OG1 3.4Å; T295-T345 VanDerWaalsContact OG1-OG1 3.13Å; T345-C361 PolarHBondContact O-SG 2.77Å
346P81.9Confident76.6Confident70 Ų7061.9 Ų61.946%0.45534%0.342SS..PPolyproline II helixtrans-64.9153.8179.528.3-35.7000111.4N359P346-N359 WeakPolarHBondContact CB-O 3.4Å
347P79.8Confident76.2Confident38 Ų3865.2 Ų65.225%0.24737%0.365CS..PPolyproline II helixtrans-63.4151.2176.325.6-33.2000112.7R293 K349R293-P347 HydrophobicContact CB-CB 4.13Å; P347-K349 PolarHBondContact O-N 2.9Å
348S74.6Confident76Confident86 Ų8667.2 Ų67.260%0.60138%0.376SS*.PPolyproline II helixtrans-59.2136.5176.2179.70000111.4S350S348-S350 PolarHBondContact O-N 2.91Å; S348-S350 VanDerWaalsContact O-N 3.14Å; S348-S350 PolarHBondContact OG-OG 3.41Å; S348-S350 VanDerWaalsContact OG-OG 3.1Å
349K64.5Low76.2Confident177 Ų17772.2 Ų72.277%0.7740%0.401SS*.THydrogen-bonded Turntrans-68.1-12.3-176-68.3-177.9179.5177.30114.3P347 K355P347-K349 PolarHBondContact O-N 2.9Å; K349-K355 PolarHBondContact O-NZ 3.28Å; K349-K355 VanDerWaalsContact O-NZ 3.16Å
350S59.4Low76.2Confident99 Ų9972.2 Ų72.269%0.69240%0.401SS*.THydrogen-bonded Turntrans-77.2-16.1-167.356.80000115.8S348S348-S350 PolarHBondContact O-N 2.91Å; S348-S350 VanDerWaalsContact O-N 3.14Å; S348-S350 PolarHBondContact OG-OG 3.41Å; S348-S350 VanDerWaalsContact OG-OG 3.1Å
351T59.8Low76.4Confident58 Ų5868 Ų6836%0.35638%0.383SS..  trans-94.6135.2-175.648.70000112.7S353T351-S353 PolarHBondContact O-N 3.39Å; T351-S353 PolarHBondContact OG1-OG 3.27Å
352N58.3Low76.7Confident182 Ų18266.6 Ų66.697%0.97337%0.374SS*.SBendtrans-71.827.1178.6-98.8-1.9000114.6
353S67.6Low77.3Confident35 Ų3563.8 Ų63.825%0.24536%0.357CS..SBendtrans-103.7173.6-169.459.90000111.7R293 T351 K355R293-S353 PolarHBondContact NE-OG 2.97Å; R293-S353 PolarHBondContact NH1-OG 3.48Å; R293-S353 VanDerWaalsContact NH1-OG 3.14Å; R293-S353 PolarHBondContact NH2-OG 2.89Å; T351-S353 PolarHBondContact O-N 3.39Å; T351-S353 PolarHBondContact OG1-OG 3.27Å; S353-K355 PolarHBondContact O-N 3.23Å
354L72.9Confident77.9Confident49 Ų4960.8 Ų60.826%0.25734%0.343SS..  trans-50.9128-177.4-78.697.1000111.1Y255 R293 I362Y255-L354 HydrophobicContact CD1-CD2 3.63Å; Y255-L354 HydrophobicContact CD2-CD2 3.98Å; Y255-L354 HydrophobicContact CE1-CD2 3.42Å; Y255-L354 VanDerWaalsContact CE1-CD2 3.42Å; Y255-L354 HydrophobicContact CE2-CD2 3.79Å; Y255-L354 HydrophobicContact CG-CD2 3.89Å; Y255-L354 VanDerWaalsContact CZ-CD2 3.48Å; R293-L354 PolarHBondContact NH1-O 3.45Å; L354-I362 HydrophobicContact CB-CD1 4.4Å; L354-I362 WeakPolarHBondContact O-CD1 3.1Å
355K77.7Confident78.4Confident121 Ų12159.1 Ų59.153%0.52634%0.336SS..  trans-113.6134175.1-66.1-176.7179179.90109.5W260 K349 S353W260-K355 PolarHBondContact NE1-O 3.42Å; K349-K355 PolarHBondContact O-NZ 3.28Å; K349-K355 VanDerWaalsContact O-NZ 3.16Å; S353-K355 PolarHBondContact O-N 3.23Å
356A80.8Confident78.8Confident10 Ų1055.7 Ų55.78%0.08332%0.315CS..  trans-79.5147.2173.700000110.8W260 S275 D358 N359 I362W260-A356 HydrophobicContact CH2-CB 3.96Å; W260-A356 HydrophobicContact CZ2-CB 3.88Å; S275-A356 VanDerWaalsContact OG-CB 3.28Å; S275-A356 WeakPolarHBondContact OG-CB 3.33Å; A356-D358 VanDerWaalsContact CB-OD1 3.27Å; A356-D358 WeakPolarHBondContact CB-OD1 3.33Å; A356-D358 PolarHBondContact O-N 3.48Å; A356-N359 PolarHBondContact O-N 3.09Å; A356-I362 HydrophobicContact CB-CG1 4.45Å
357P80.7Confident79.2Confident87 Ų8753.9 Ų53.957%0.56530%0.299SS*.THydrogen-bonded Turntrans-67.2-21.9-177.527.4-35.5000113.6W260W260-P357 HydrophobicContact CB-CG 4.08Å; W260-P357 HydrophobicContact CD2-CG 4.49Å; W260-P357 HydrophobicContact CG-CG 4.15Å
358D81.8Confident79.7Confident42 Ų4252.3 Ų52.323%0.22529%0.289CS..THydrogen-bonded Turntrans-102.46.8-176.959-11.2000113.4S275 S277 A356 G360S275-D358 WeakPolarHBondContact CB-OD1 3.38Å; S275-D358 VanDerWaalsContact OG-CG 3.3Å; S275-D358 PolarHBondContact OG-OD1 3.45Å; S275-D358 PolarHBondContact OG-OD2 3.46Å; S277-D358 VanDerWaalsContact CB-OD2 3.27Å; S277-D358 WeakPolarHBondContact CB-OD2 3.47Å; S277-D358 PolarHBondContact OG-OD2 3.43Å; A356-D358 VanDerWaalsContact CB-OD1 3.27Å; A356-D358 WeakPolarHBondContact CB-OD1 3.33Å; A356-D358 PolarHBondContact O-N 3.48Å; D358-G360 PolarHBondContact O-N 3Å; D358-G360 PolarHBondContact OD1-N 3.5Å
359N83.2Confident80.2Confident111 Ų11148.4 Ų48.459%0.59426%0.262SS*.  trans54.827.6-171.1-61.4-47.4000113.9P346 A356P346-N359 WeakPolarHBondContact CB-O 3.4Å; A356-N359 PolarHBondContact O-N 3.09Å
360G85.4Confident80.9Confident1 Ų141 Ų411%0.0123%0.231CC..PPolyproline II helixtrans-75.4171.217600000114.4S275 I276 D358S275-G360 WeakPolarHBondContact OG-CA 3.4Å; I276-G360 CarbonylContact O-C 3.49Å; I276-G360 WeakPolarHBondContact O-CA 3.26Å; D358-G360 PolarHBondContact O-N 3Å; D358-G360 PolarHBondContact OD1-N 3.5Å
361C88.2Confident82Confident0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-72.7136.5169.7-65.20000110.3S275 I276 L291 R293 T345S275-C361 WeakPolarHBondContact CA-O 3.1Å; I276-C361 PolarHBondContact N-O 2.94Å; I276-C361 PolarHBondContact O-N 2.99Å; L291-C361 HydrophobicContact CD1-CB 3.89Å; R293-C361 CarbonylContact O-C 3.51Å; R293-C361 WeakPolarHBondContact O-CA 3.2Å; R293-C361 WeakPolarHBondContact O-CB 3.26Å; T345-C361 PolarHBondContact O-SG 2.77Å
362I90.8Very high83.3Confident4 Ų434.7 Ų34.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-94.8125.3-176.5-58.3176.2000108.4I273 L292 R293 L354 A356I273-I362 HydrophobicContact CG2-CG2 3.47Å; I273-I362 VanDerWaalsContact CG2-CG2 3.47Å; L292-I362 WeakPolarHBondContact CA-O 3.3Å; L292-I362 WeakPolarHBondContact CB-O 3.47Å; L292-I362 HydrophobicContact CD1-CG2 4.32Å; L292-I362 PolarHBondContact N-O 3.14Å; R293-I362 HydrophobicContact CB-CB 4.18Å; R293-I362 PolarHBondContact N-O 2.99Å; R293-I362 PolarHBondContact O-N 3.42Å; L354-I362 HydrophobicContact CB-CD1 4.4Å; L354-I362 WeakPolarHBondContact O-CD1 3.1Å; A356-I362 HydrophobicContact CB-CG1 4.45Å
363C91.8Very high84.4Confident0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-130.5154-177.3-49.90000111.5I273 V274 I276 L289 L290I273-C363 CarbonylContact C-O 3.5Å; I273-C363 VanDerWaalsContact CA-O 3.31Å; I273-C363 WeakPolarHBondContact CA-O 3.49Å; V274-C363 HydrophobicContact CG2-CB 3.96Å; V274-C363 PolarHBondContact N-O 3.2Å; V274-C363 PolarHBondContact O-N 3.2Å; I276-C363 HydrophobicContact CD1-CB 4.43Å; I276-C363 WeakPolarHBondContact CD1-SG 3.47Å; L289-C363 HydrophobicContact CB-CB 3.84Å; L289-C363 HydrophobicContact CD1-CB 4.19Å; L290-C363 CarbonylContact O-C 3.6Å; L290-C363 WeakPolarHBondContact O-CA 3.1Å; L290-C363 WeakPolarHBondContact O-CB 3.37Å
364F92.4Very high85Confident0 Ų027.2 Ų27.20%015%0.148CC..EExtended strand (participates in β ladder)trans-106.7132.9174.7174.2-83.2000109.9P146 W149 Y154 W157 L289 L290 L292 L366P146-F364 HydrophobicContact CB-CE1 4.47Å; P146-F364 HydrophobicContact CB-CZ 4.32Å; P146-F364 HydrophobicContact CG-CE1 4.07Å; P146-F364 HydrophobicContact CG-CZ 4.09Å; W149-F364 HydrophobicContact CE3-CZ 4.3Å; W149-F364 HydrophobicContact CH2-CZ 4.37Å; W149-F364 HydrophobicContact CZ3-CE2 4.08Å; W149-F364 AromaticContact CZ3-CZ 3.79Å; W149-F364 HydrophobicContact CZ3-CZ 3.79Å; Y154-F364 AromaticContact CD1-CD1 3.93Å; Y154-F364 HydrophobicContact CD1-CD1 3.93Å; Y154-F364 HydrophobicContact CD1-CD2 4.3Å; Y154-F364 AromaticContact CD1-CE1 3.93Å; Y154-F364 HydrophobicContact CD1-CE1 3.93Å; Y154-F364 HydrophobicContact CD1-CE2 4.26Å; Y154-F364 HydrophobicContact CD1-CG 4.12Å; Y154-F364 HydrophobicContact CD1-CZ 4.07Å; Y154-F364 AromaticContact CE1-CD1 3.83Å; Y154-F364 HydrophobicContact CE1-CD1 3.83Å; Y154-F364 AromaticContact CE1-CE1 3.51Å; Y154-F364 HydrophobicContact CE1-CE1 3.51Å; Y154-F364 HydrophobicContact CE1-CG 4.47Å; Y154-F364 AromaticContact CE1-CZ 3.87Å; Y154-F364 HydrophobicContact CE1-CZ 3.87Å; W157-F364 AromaticContact CD1-CD2 3.76Å; W157-F364 AromaticContact CD1-CE2 3.48Å; W157-F364 VanDerWaalsContact CD1-CE2 3.48Å; W157-F364 HydrophobicContact CG-CD2 4.5Å; W157-F364 HydrophobicContact CG-CE2 4.08Å; W157-F364 AromaticContact NE1-CE2 3.73Å; L289-F364 CarbonylContact C-O 3.55Å; L289-F364 VanDerWaalsContact CA-O 3.26Å; L289-F364 WeakPolarHBondContact CA-O 3.36Å; L290-F364 HydrophobicContact CB-CB 4.26Å; L290-F364 PolarHBondContact N-O 3.47Å; L290-F364 PolarHBondContact O-N 3.46Å; L292-F364 HydrophobicContact CD1-CB 4.08Å; L292-F364 HydrophobicContact CD2-CB 4.34Å; L292-F364 HydrophobicContact CG-CB 4.18Å; F364-L366 HydrophobicContact CD1-CD2 3.96Å; F364-L366 HydrophobicContact CD1-CG 4.39Å; F364-L366 HydrophobicContact CE1-CD2 4.06Å; F364-L366 PolarHBondContact O-N 3.26Å
365V93.2Very high85.3Confident0 Ų024.9 Ų24.90%014%0.135CC..EExtended strand (participates in β ladder)trans-77.5112.9-180-1760000110.2A270 G271 D272 V274 A287 L289 T368A270-V365 CarbonylContact C-O 3.46Å; G271-V365 PolarHBondContact N-O 3.45Å; D272-V365 HydrophobicContact CB-CB 4.48Å; D272-V365 HydrophobicContact CB-CG2 3.93Å; D272-V365 WeakPolarHBondContact O-CG2 3.4Å; D272-V365 PolarHBondContact O-N 2.97Å; V274-V365 HydrophobicContact CG1-CG2 3.78Å; V274-V365 HydrophobicContact CG2-CG2 4.41Å; A287-V365 HydrophobicContact CB-CG1 4.06Å; L289-V365 HydrophobicContact CD2-CB 4.13Å; L289-V365 HydrophobicContact CD2-CG1 4.29Å; L289-V365 HydrophobicContact CD2-CG2 3.65Å; V365-T368 HydrophobicContact CG1-CG2 3.54Å
366L90.3Very high85.3Confident0 Ų025.5 Ų25.50%014%0.135CC..EExtended strand (participates in β ladder)trans-83-56.3179-68.3171.4000112Y154 D288 L290 F324 F326 I334 F364Y154-L366 HydrophobicContact CE1-CD2 4.15Å; D288-L366 WeakPolarHBondContact O-CB 3.5Å; D288-L366 PolarHBondContact O-N 3.48Å; L290-L366 HydrophobicContact CB-CD1 3.97Å; L290-L366 HydrophobicContact CB-CD2 4.13Å; L290-L366 HydrophobicContact CB-CG 3.93Å; F324-L366 HydrophobicContact CE1-CD1 3.86Å; F324-L366 HydrophobicContact CE1-CD2 3.83Å; F324-L366 HydrophobicContact CZ-CD1 3.79Å; F324-L366 HydrophobicContact CZ-CD2 4.49Å; F326-L366 HydrophobicContact CD2-CD1 4.14Å; F326-L366 HydrophobicContact CE2-CD1 4.1Å; I334-L366 HydrophobicContact CG1-CD1 4.26Å; I334-L366 HydrophobicContact CG2-CD1 4.33Å; F364-L366 HydrophobicContact CD1-CD2 3.96Å; F364-L366 HydrophobicContact CD1-CG 4.39Å; F364-L366 HydrophobicContact CE1-CD2 4.06Å; F364-L366 PolarHBondContact O-N 3.26Å
367R90.3Very high84.9Confident32 Ų3226.7 Ų26.712%0.12114%0.139CC..EExtended strand (participates in β ladder)trans-134.4147.4-176.1-63.2-176.4177.7146.54.9110.3F145 V147 A287 D288 F326 S371 T372F145-R367 HydrophobicContact CB-CG 3.93Å; F145-R367 HydrophobicContact CD1-CB 4.32Å; F145-R367 HydrophobicContact CD1-CG 4.21Å; F145-R367 HydrophobicContact CD2-CG 4.23Å; F145-R367 HydrophobicContact CG-CB 4.42Å; F145-R367 HydrophobicContact CG-CG 3.85Å; V147-R367 HydrophobicContact CG2-CG 4.23Å; A287-R367 WeakPolarHBondContact CB-O 3.37Å; D288-R367 HydrophobicContact CB-CB 4.25Å; D288-R367 PolarHBondContact N-O 2.96Å; D288-R367 PolarHBondContact O-N 2.96Å; F326-R367 VanDerWaalsContact CZ-NH1 3.27Å; R367-S371 WeakPolarHBondContact CD-O 3.4Å; R367-T372 HydrophobicContact CB-CG2 4.39Å; R367-T372 VanDerWaalsContact O-CG2 3.27Å; R367-T372 WeakPolarHBondContact O-CG2 3.27Å
368T89.9Confident84.7Confident4 Ų424.1 Ų24.13%0.02512%0.121CC..  trans-127.5159.6-179.253.20000111.7N176 A270 A287 V365 S371N176-T368 HydrophobicContact CB-CG2 4.04Å; A270-T368 HydrophobicContact CB-CG2 4.5Å; A287-T368 HydrophobicContact CB-CG2 4.39Å; V365-T368 HydrophobicContact CG1-CG2 3.54Å; T368-S371 PolarHBondContact O-N 3.44Å
369G84.5Confident84.4Confident5 Ų522.9 Ų22.95%0.05211%0.113CC..G310 helixtrans61.6-138.7174.800000113.6N176 S371 T372N176-G369 PolarHBondContact OD1-N 3.46Å; G369-S371 PolarHBondContact O-N 3.34Å; G369-T372 WeakPolarHBondContact O-CB 3.47Å; G369-T372 WeakPolarHBondContact O-CG2 3.46Å; G369-T372 PolarHBondContact O-N 3.23Å; G369-T372 PolarHBondContact O-OG1 3.07Å
370L80Confident83.7Confident20 Ų2020 Ų2011%0.10510%0.099CC..G310 helixtrans-67.9-10.3-179.3-72.9167000114.6R127 L128 L178 G375 R376 L378R127-L370 HydrophobicContact CB-CD1 3.32Å; R127-L370 HydrophobicContact CG-CD1 4.39Å; L128-L370 HydrophobicContact CD2-CB 3.75Å; L178-L370 HydrophobicContact CD2-CD2 4.39Å; L370-G375 CarbonylContact O-C 3.57Å; L370-R376 PolarHBondContact O-N 3.18Å; L370-L378 HydrophobicContact CD2-CD2 4.36Å
371S83.3Confident82.9Confident25 Ų2521 Ų2118%0.17510%0.104CC..G310 helixtrans-83.6-15.6177.6-60.70000113.2F145 R367 T368 G369F145-S371 WeakPolarHBondContact CE2-OG 3.43Å; F145-S371 WeakPolarHBondContact CZ-OG 3.24Å; R367-S371 WeakPolarHBondContact CD-O 3.4Å; T368-S371 PolarHBondContact O-N 3.44Å; G369-S371 PolarHBondContact O-N 3.34Å
372T86.5Confident82.2Confident0 Ų024 Ų240%012%0.119CC..SBendtrans-62.9161.7173.859.70000111.4D288 R367 G369 Q374 G375 R376D288-T372 VanDerWaalsContact OD2-CA 3.29Å; D288-T372 WeakPolarHBondContact OD2-CA 3.44Å; R367-T372 HydrophobicContact CB-CG2 4.39Å; R367-T372 VanDerWaalsContact O-CG2 3.27Å; R367-T372 WeakPolarHBondContact O-CG2 3.27Å; G369-T372 WeakPolarHBondContact O-CB 3.47Å; G369-T372 WeakPolarHBondContact O-CG2 3.46Å; G369-T372 PolarHBondContact O-N 3.23Å; G369-T372 PolarHBondContact O-OG1 3.07Å; T372-Q374 PolarHBondContact O-N 3.49Å; T372-G375 PolarHBondContact O-N 3.2Å; T372-G375 VanDerWaalsContact O-N 3.15Å; T372-G375 WeakPolarHBondContact OG1-CA 3.38Å; T372-G375 PolarHBondContact OG1-N 3.03Å; T372-R376 WeakPolarHBondContact O-CG 3.39Å; T372-R376 PolarHBondContact O-N 3.19Å
373S80.7Confident81.1Confident27 Ų2725.3 Ų25.319%0.18912%0.124CC..Hα-helixtrans-50.9-50170.9550000113D288 F336 R376 L377D288-S373 PolarHBondContact OD1-N 3.5Å; D288-S373 PolarHBondContact OD1-OG 2.99Å; D288-S373 PolarHBondContact OD2-N 2.9Å; F336-S373 WeakPolarHBondContact CB-OG 3.39Å; S373-R376 PolarHBondContact O-N 3.35Å; S373-L377 PolarHBondContact O-N 3.4Å; S373-L377 VanDerWaalsContact O-N 3.14Å
374Q80.2Confident79.4Confident33 Ų3325.6 Ų25.615%0.15413%0.126CC..Hα-helixtrans-62.5-43.5173179.4-174.914.900112.3M302 L303 G337 G338 T372 R376 L377 L378M302-Q374 HydrophobicContact CE-CB 4.06Å; M302-Q374 HydrophobicContact CE-CG 3.83Å; L303-Q374 HydrophobicContact CD2-CB 4.29Å; G337-Q374 WeakPolarHBondContact O-CB 3.38Å; G338-Q374 VanDerWaalsContact N-OE1 3.09Å; T372-Q374 PolarHBondContact O-N 3.49Å; Q374-R376 VanDerWaalsContact C-N 3.31Å; Q374-R376 PolarHBondContact O-N 3.22Å; Q374-L377 WeakPolarHBondContact O-CB 3.49Å; Q374-L377 PolarHBondContact O-N 2.68Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; Q374-L378 PolarHBondContact O-N 2.85Å
375G79.5Confident77.8Confident0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-60.5-40178.600000112.8L370 T372 L378 K379L370-G375 CarbonylContact O-C 3.57Å; T372-G375 PolarHBondContact O-N 3.2Å; T372-G375 VanDerWaalsContact O-N 3.15Å; T372-G375 WeakPolarHBondContact OG1-CA 3.38Å; T372-G375 PolarHBondContact OG1-N 3.03Å; G375-L378 PolarHBondContact O-N 2.84Å; G375-K379 WeakPolarHBondContact O-CB 3.44Å; G375-K379 PolarHBondContact O-N 2.93Å
376R77.3Confident75.9Confident135 Ų13533.8 Ų33.851%0.50916%0.164SC..Hα-helixtrans-64.4-41173.3-74.8177.1174.7-170.7-4.2111.6L370 T372 S373 Q374 K379 T380L370-R376 PolarHBondContact O-N 3.18Å; T372-R376 WeakPolarHBondContact O-CG 3.39Å; T372-R376 PolarHBondContact O-N 3.19Å; S373-R376 PolarHBondContact O-N 3.35Å; Q374-R376 VanDerWaalsContact C-N 3.31Å; Q374-R376 PolarHBondContact O-N 3.22Å; R376-K379 WeakPolarHBondContact O-CB 3.35Å; R376-K379 PolarHBondContact O-N 3.47Å; R376-T380 PolarHBondContact O-N 3.27Å; R376-T380 PolarHBondContact O-OG1 3.39Å; R376-T380 VanDerWaalsContact O-OG1 3.1Å
377L73.8Confident74.2Confident35 Ų3537.5 Ų37.518%0.18320%0.195CC..Hα-helixtrans-59.5-49173.2-167.971.9000110.8S373 Q374 K379 T380 I381 V831S373-L377 PolarHBondContact O-N 3.4Å; S373-L377 VanDerWaalsContact O-N 3.14Å; Q374-L377 WeakPolarHBondContact O-CB 3.49Å; Q374-L377 PolarHBondContact O-N 2.68Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; L377-K379 VanDerWaalsContact C-N 3.35Å; L377-K379 PolarHBondContact O-N 3.46Å; L377-T380 WeakPolarHBondContact O-CB 3.35Å; L377-T380 PolarHBondContact O-N 3Å; L377-I381 HydrophobicContact CG-CD1 4.36Å; L377-I381 VanDerWaalsContact O-CG1 3.32Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 3.48Å; L377-V831 HydrophobicContact CD1-CB 3.99Å; L377-V831 HydrophobicContact CD1-CG1 3.67Å; L377-V831 HydrophobicContact CD1-CG2 4.03Å; L377-V831 HydrophobicContact CG-CG1 4.49Å
378L74.9Confident72.4Confident33 Ų3337.7 Ų37.717%0.17320%0.199CC..Hα-helixtrans-61.5-41177.7-174.765000112L178 L370 Q374 G375 T380 I381 M382L178-L378 HydrophobicContact CD2-CD2 4.27Å; L370-L378 HydrophobicContact CD2-CD2 4.36Å; Q374-L378 PolarHBondContact O-N 2.85Å; G375-L378 PolarHBondContact O-N 2.84Å; L378-T380 VanDerWaalsContact C-N 3.34Å; L378-T380 PolarHBondContact O-N 3.39Å; L378-I381 WeakPolarHBondContact O-CB 3.48Å; L378-I381 PolarHBondContact O-N 3.42Å; L378-I381 VanDerWaalsContact O-N 3.16Å; L378-M382 HydrophobicContact CD1-CG 4.37Å; L378-M382 HydrophobicContact CD1-SD 4.4Å; L378-M382 HydrophobicContact CD2-SD 4.46Å; L378-M382 HydrophobicContact CG-CG 4.4Å; L378-M382 HydrophobicContact CG-SD 4Å; L378-M382 VanDerWaalsContact O-CG 3.31Å; L378-M382 WeakPolarHBondContact O-CG 3.19Å; L378-M382 PolarHBondContact O-N 3.44Å
379K75.7Confident70.8Confident15 Ų1540.2 Ų40.27%0.06522%0.215CC..Hα-helixtrans-57.5-47.3173.8-174.8-165.2178.7-168.50110.8D7 L128 G375 R376 L377 I381 M382 Y383D7-K379 IonicContact OD2-NZ 2.72Å; D7-K379 PolarHBondContact OD2-NZ 3.41Å; L128-K379 HydrophobicContact CD1-CD 3.87Å; L128-K379 VanDerWaalsContact CD1-NZ 3.26Å; G375-K379 WeakPolarHBondContact O-CB 3.44Å; G375-K379 PolarHBondContact O-N 2.93Å; R376-K379 WeakPolarHBondContact O-CB 3.35Å; R376-K379 PolarHBondContact O-N 3.47Å; L377-K379 VanDerWaalsContact C-N 3.35Å; L377-K379 PolarHBondContact O-N 3.46Å; K379-I381 VanDerWaalsContact C-N 3.3Å; K379-I381 PolarHBondContact O-N 3.09Å; K379-M382 PolarHBondContact O-N 3.07Å; K379-Y383 HydrophobicContact CG-CD2 3.9Å; K379-Y383 PolarHBondContact O-N 3.49Å
380T69.5Low69.2Low50 Ų5041 Ų4131%0.30722%0.221SC..Hα-helixtrans-60.1-40.4176.3-59.80000111.3R376 L377 L378 S384R376-T380 PolarHBondContact O-N 3.27Å; R376-T380 PolarHBondContact O-OG1 3.39Å; R376-T380 VanDerWaalsContact O-OG1 3.1Å; L377-T380 WeakPolarHBondContact O-CB 3.35Å; L377-T380 PolarHBondContact O-N 3Å; L378-T380 VanDerWaalsContact C-N 3.34Å; L378-T380 PolarHBondContact O-N 3.39Å; T380-S384 WeakPolarHBondContact O-CB 3.24Å; T380-S384 PolarHBondContact O-N 2.83Å; T380-S384 PolarHBondContact O-OG 2.83Å
381I68.9Low68.2Low22 Ų2242.5 Ų42.511%0.11323%0.229CC..Hα-helixtrans-65-44.6177.9-65.4169.9000111.6L377 L378 K379 V831 K835 A926L377-I381 HydrophobicContact CG-CD1 4.36Å; L377-I381 VanDerWaalsContact O-CG1 3.32Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 3.48Å; L378-I381 WeakPolarHBondContact O-CB 3.48Å; L378-I381 PolarHBondContact O-N 3.42Å; L378-I381 VanDerWaalsContact O-N 3.16Å; K379-I381 VanDerWaalsContact C-N 3.3Å; K379-I381 PolarHBondContact O-N 3.09Å; I381-V831 HydrophobicContact CG1-CG1 4.38Å; I381-K835 VanDerWaalsContact O-CE 3.32Å; I381-K835 WeakPolarHBondContact O-CE 3.31Å; I381-K835 PolarHBondContact O-NZ 3.21Å; I381-A926 HydrophobicContact CD1-CB 3.76Å; I381-A926 HydrophobicContact CG1-CB 3.52Å
382M71.9Confident67.5Low63 Ų6344 Ų4431%0.3124%0.235SC..Hα-helixtrans-77-39.8-174.2-69.7178.472.100114.1L180 L378 K379L180-M382 HydrophobicContact CD2-CE 3.31Å; L180-M382 HydrophobicContact CD2-CG 4.45Å; L180-M382 HydrophobicContact CD2-SD 3.34Å; L180-M382 WeakPolarHBondContact CD2-SD 3.36Å; L378-M382 HydrophobicContact CD1-CG 4.37Å; L378-M382 HydrophobicContact CD1-SD 4.4Å; L378-M382 HydrophobicContact CD2-SD 4.46Å; L378-M382 HydrophobicContact CG-CG 4.4Å; L378-M382 HydrophobicContact CG-SD 4Å; L378-M382 VanDerWaalsContact O-CG 3.31Å; L378-M382 WeakPolarHBondContact O-CG 3.19Å; L378-M382 PolarHBondContact O-N 3.44Å; K379-M382 PolarHBondContact O-N 3.07Å
383Y69.4Low67Low33 Ų3349.6 Ų49.613%0.12927%0.27CS..Hα-helixtrans-117.4-7.5-164-60.2-65.2000115.1T102 G103 Q126 K379 V385T102-Y383 CarbonylContact C-O 3.55Å; G103-Y383 WeakPolarHBondContact CA-O 3.47Å; G103-Y383 PolarHBondContact N-O 3.26Å; Q126-Y383 HydrophobicContact CB-CD1 4.48Å; Q126-Y383 HydrophobicContact CB-CD2 3.83Å; Q126-Y383 HydrophobicContact CB-CE1 4.49Å; Q126-Y383 HydrophobicContact CB-CE2 3.83Å; Q126-Y383 HydrophobicContact CB-CG 4.17Å; Q126-Y383 HydrophobicContact CG-CD1 4.07Å; Q126-Y383 HydrophobicContact CG-CD2 4.13Å; Q126-Y383 HydrophobicContact CG-CE1 4.39Å; Q126-Y383 HydrophobicContact CG-CE2 4.43Å; Q126-Y383 HydrophobicContact CG-CG 3.93Å; K379-Y383 HydrophobicContact CG-CD2 3.9Å; K379-Y383 PolarHBondContact O-N 3.49Å; Y383-V385 PolarHBondContact O-N 3.5Å
384S55.9Low66.9Low6 Ų650.6 Ų50.64%0.04227%0.271CS..SBendtrans-65.9-35.3-175.154.10000115N101 T380 K835N101-S384 CarbonylContact C-O 3.54Å; N101-S384 WeakPolarHBondContact CA-O 3.11Å; N101-S384 CarbonylContact O-C 3.26Å; T380-S384 WeakPolarHBondContact O-CB 3.24Å; T380-S384 PolarHBondContact O-N 2.83Å; T380-S384 PolarHBondContact O-OG 2.83Å; S384-K835 WeakPolarHBondContact OG-CE 3.46Å; S384-K835 WeakPolarHBondContact OG-CG 3.34Å
385V57.8Low66.8Low27 Ų2749.1 Ų49.116%0.16427%0.265CS..SBendtrans-129.5135.3-175.7-169.30000111.9Y383 A387 K835Y383-V385 PolarHBondContact O-N 3.5Å; V385-A387 PolarHBondContact O-N 3.27Å; V385-K835 HydrophobicContact CG2-CD 4.5Å; V385-K835 HydrophobicContact CG2-CG 4.19Å; V385-K835 VanDerWaalsContact CG2-O 3.31Å; V385-K835 WeakPolarHBondContact CG2-O 3.49Å
386K54.6Low67Low144 Ų14453.7 Ų53.763%0.62629%0.285SS*.PPolyproline II helixtrans-57.6129.2169.7-69.4-176.6178.4-178.30108.7V388K386-V388 PolarHBondContact O-N 3.46Å; K386-V388 VanDerWaalsContact O-N 3.11Å
387A53.4Low67.4Low79 Ų7951.3 Ų51.365%0.65328%0.281SS*.PPolyproline II helixtrans-52.5123.3170.500000108.7V385 T389V385-A387 PolarHBondContact O-N 3.27Å; A387-T389 PolarHBondContact O-N 3.02Å
388V53.4Low68Low35 Ų3550 Ų5021%0.21227%0.274CS..PPolyproline II helixtrans-70.7116.6177.61780000106.3K386 F470 R471 F474K386-V388 PolarHBondContact O-N 3.46Å; K386-V388 VanDerWaalsContact O-N 3.11Å; V388-F470 HydrophobicContact CB-CB 4.18Å; V388-F470 HydrophobicContact CG1-CB 4.08Å; V388-F470 WeakPolarHBondContact O-CB 3.48Å; V388-R471 HydrophobicContact CG2-CG 4.31Å; V388-F474 HydrophobicContact CB-CE2 4.1Å; V388-F474 HydrophobicContact CG1-CE2 3.42Å; V388-F474 VanDerWaalsContact CG1-CE2 3.42Å; V388-F474 HydrophobicContact CG1-CZ 3.62Å; V388-F474 HydrophobicContact CG2-CE2 3.68Å; V388-F474 HydrophobicContact CG2-CZ 4.44Å
389T56.1Low68.5Low57 Ų5749.4 Ų49.435%0.3527%0.271SS..PPolyproline II helixtrans-101.8161.4176.260.90000110.1A387 N391 N392A387-T389 PolarHBondContact O-N 3.02Å; T389-N391 PolarHBondContact O-N 2.89Å; T389-N392 PolarHBondContact O-OD1 2.98Å
390A50.1Low69.1Low22 Ų2251.1 Ų51.118%0.18229%0.288CS..SBendtrans-63.7-14.6173.400000113.3N392 L448 F470A390-N392 VanDerWaalsContact C-N 3.27Å; A390-N392 PolarHBondContact O-N 3.44Å; A390-L448 HydrophobicContact CB-CD1 4.17Å; A390-F470 HydrophobicContact CB-CE1 4.21Å
391N59.8Low70.1Confident52 Ų5250.9 Ų50.928%0.27828%0.283SS..  trans-83.568.3-174.2-62.7-5.1000111F197 T389 F396F197-N391 HydrophobicContact CD2-CB 4.46Å; F197-N391 VanDerWaalsContact CD2-CG 3.5Å; F197-N391 WeakPolarHBondContact CD2-OD1 3.37Å; F197-N391 HydrophobicContact CE2-CB 4.21Å; F197-N391 WeakPolarHBondContact CE2-OD1 3.27Å; T389-N391 PolarHBondContact O-N 2.89Å; N391-F396 HydrophobicContact CB-CE2 4.33Å
392N68Low71.1Confident55 Ų5549.9 Ų49.929%0.29428%0.278SS..  trans-78.7146.8176.4-67.6-25.8000110.9T389 A390 E394 S395 F396T389-N392 PolarHBondContact O-OD1 2.98Å; A390-N392 VanDerWaalsContact C-N 3.27Å; A390-N392 PolarHBondContact O-N 3.44Å; N392-E394 HydrophobicContact CB-CB 4.44Å; N392-E394 PolarHBondContact O-N 3.3Å; N392-S395 WeakPolarHBondContact O-CB 3.45Å; N392-S395 PolarHBondContact O-N 3.24Å; N392-F396 WeakPolarHBondContact O-CD2 3.22Å; N392-F396 PolarHBondContact O-N 3.28Å
393T76Confident71.9Confident119 Ų11950.2 Ų50.273%0.7328%0.28SS*.Hα-helixtrans-54.1-33.616949.20000111.8F396 L397T393-F396 PolarHBondContact O-N 3.42Å; T393-L397 PolarHBondContact O-N 3.39Å
394E78Confident73Confident48 Ų4852.4 Ų52.422%0.22430%0.297CS..Hα-helixtrans-62.5-41.2173.8-64.7-174.4-176.600112.8N392 F396 L397 F398 I1018N392-E394 HydrophobicContact CB-CB 4.44Å; N392-E394 PolarHBondContact O-N 3.3Å; E394-F396 VanDerWaalsContact C-N 3.32Å; E394-F396 PolarHBondContact O-N 3.37Å; E394-L397 PolarHBondContact O-N 2.9Å; E394-F398 WeakPolarHBondContact O-CB 3.29Å; E394-F398 PolarHBondContact O-N 3.42Å; E394-I1018 PolarHBondContact OE2-N 2.82Å
395S78.3Confident74.6Confident2 Ų254.2 Ų54.21%0.01430%0.304CS..Hα-helixtrans-62.7-42.1176.7-50.50000110.5N392 F398 I399 Y957N392-S395 WeakPolarHBondContact O-CB 3.45Å; N392-S395 PolarHBondContact O-N 3.24Å; S395-F398 PolarHBondContact O-N 3.14Å; S395-I399 WeakPolarHBondContact O-CD1 3.45Å; S395-I399 VanDerWaalsContact O-CG1 3.24Å; S395-I399 WeakPolarHBondContact O-CG1 3.28Å; S395-I399 PolarHBondContact O-N 3.49Å; S395-Y957 PolarHBondContact OG-OH 3.13Å
396F83.3Confident76Confident95 Ų9552.9 Ų52.942%0.41730%0.296SS..Hα-helixtrans-64.6-40.4175.1-71.9-68.2000112.7F197 N391 N392 T393 E394 F398 I399 A400F197-F396 HydrophobicContact CD2-CZ 4.31Å; F197-F396 AromaticContact CE2-CE1 3.76Å; F197-F396 HydrophobicContact CE2-CE1 3.76Å; F197-F396 HydrophobicContact CE2-CE2 4.22Å; F197-F396 AromaticContact CE2-CZ 3.55Å; F197-F396 HydrophobicContact CE2-CZ 3.55Å; F197-F396 HydrophobicContact CZ-CD1 4.31Å; F197-F396 AromaticContact CZ-CE1 3.83Å; F197-F396 HydrophobicContact CZ-CE1 3.83Å; F197-F396 HydrophobicContact CZ-CZ 4.09Å; N391-F396 HydrophobicContact CB-CE2 4.33Å; N392-F396 WeakPolarHBondContact O-CD2 3.22Å; N392-F396 PolarHBondContact O-N 3.28Å; T393-F396 PolarHBondContact O-N 3.42Å; E394-F396 VanDerWaalsContact C-N 3.32Å; E394-F396 PolarHBondContact O-N 3.37Å; F396-F398 VanDerWaalsContact C-N 3.33Å; F396-I399 PolarHBondContact O-N 3.43Å; F396-A400 WeakPolarHBondContact O-CB 3.45Å; F396-A400 PolarHBondContact O-N 3.19Å
397L87.1Confident77.8Confident85 Ų8550.5 Ų50.545%0.44529%0.29SS..Hα-helixtrans-65.3-38.6176.1-17565.6000111.7T393 E394 A400 F401 F1019T393-L397 PolarHBondContact O-N 3.39Å; E394-L397 PolarHBondContact O-N 2.9Å; L397-A400 PolarHBondContact O-N 3.31Å; L397-F401 PolarHBondContact O-N 3.33Å; L397-F1019 HydrophobicContact CB-CD2 4.45Å; L397-F1019 HydrophobicContact CD1-CE2 4.45Å; L397-F1019 HydrophobicContact CD2-CB 4.25Å; L397-F1019 HydrophobicContact CD2-CD1 3.62Å; L397-F1019 HydrophobicContact CD2-CD2 3.62Å; L397-F1019 HydrophobicContact CD2-CE1 3.74Å; L397-F1019 HydrophobicContact CD2-CE2 3.75Å; L397-F1019 HydrophobicContact CD2-CG 3.55Å; L397-F1019 HydrophobicContact CD2-CZ 3.8Å; L397-F1019 HydrophobicContact CG-CD2 3.7Å; L397-F1019 HydrophobicContact CG-CE2 3.65Å; L397-F1019 HydrophobicContact CG-CG 4.17Å; L397-F1019 HydrophobicContact CG-CZ 4.07Å
398F85.7Confident79.5Confident8 Ų852 Ų524%0.03529%0.286CS..Hα-helixtrans-66.6-42.2175.6-176.2-111.1000112.1E394 S395 F396 A400 F401 L402 Y957 A961 I1018 L1024 V1027E394-F398 WeakPolarHBondContact O-CB 3.29Å; E394-F398 PolarHBondContact O-N 3.42Å; S395-F398 PolarHBondContact O-N 3.14Å; F396-F398 VanDerWaalsContact C-N 3.33Å; F398-A400 VanDerWaalsContact C-N 3.35Å; F398-A400 PolarHBondContact O-N 3.11Å; F398-F401 WeakPolarHBondContact O-CB 3.46Å; F398-F401 PolarHBondContact O-N 3.39Å; F398-L402 HydrophobicContact CD1-CD1 4.25Å; F398-L402 HydrophobicContact CE1-CD1 3.89Å; F398-L402 HydrophobicContact CZ-CD1 4.34Å; F398-L402 WeakPolarHBondContact O-CG 3.44Å; F398-L402 PolarHBondContact O-N 2.91Å; F398-L402 VanDerWaalsContact O-N 3.08Å; F398-Y957 HydrophobicContact CD1-CD1 4.3Å; F398-Y957 HydrophobicContact CE1-CD1 4.35Å; F398-A961 HydrophobicContact CE1-CB 3.69Å; F398-A961 HydrophobicContact CZ-CB 3.49Å; F398-A961 VanDerWaalsContact CZ-CB 3.49Å; F398-I1018 HydrophobicContact CB-CG2 4.3Å; F398-I1018 HydrophobicContact CD1-CG2 4.33Å; F398-I1018 HydrophobicContact CD2-CG2 4.14Å; F398-I1018 HydrophobicContact CG-CG2 4.01Å; F398-L1024 HydrophobicContact CD2-CD2 4.36Å; F398-V1027 HydrophobicContact CZ-CG2 4.4Å
399I85.4Confident81.1Confident21 Ų2151.2 Ų51.211%0.10828%0.283CS..Hα-helixtrans-62-43.2172.7-69.1162000110.8F197 S395 F396 F401 L402 L403 I440F197-I399 HydrophobicContact CE1-CD1 3.49Å; F197-I399 VanDerWaalsContact CE1-CD1 3.49Å; F197-I399 HydrophobicContact CZ-CD1 3.62Å; S395-I399 WeakPolarHBondContact O-CD1 3.45Å; S395-I399 VanDerWaalsContact O-CG1 3.24Å; S395-I399 WeakPolarHBondContact O-CG1 3.28Å; S395-I399 PolarHBondContact O-N 3.49Å; F396-I399 PolarHBondContact O-N 3.43Å; I399-F401 PolarHBondContact O-N 3.02Å; I399-L402 PolarHBondContact O-N 3.11Å; I399-L402 VanDerWaalsContact O-N 3.13Å; I399-L403 WeakPolarHBondContact O-CB 3.36Å; I399-L403 PolarHBondContact O-N 2.83Å; I399-I440 HydrophobicContact CG2-CD1 4.03Å; I399-I440 HydrophobicContact CG2-CG1 3.61Å
400A88.9Confident82.7Confident51 Ų5149 Ų4942%0.42127%0.27SS..Hα-helixtrans-60.8-33.7176.700000112.2F396 L397 F398 L403F396-A400 WeakPolarHBondContact O-CB 3.45Å; F396-A400 PolarHBondContact O-N 3.19Å; L397-A400 PolarHBondContact O-N 3.31Å; F398-A400 VanDerWaalsContact C-N 3.35Å; F398-A400 PolarHBondContact O-N 3.11Å; A400-L403 WeakPolarHBondContact O-CB 3.26Å
401F90.3Very high84.6Confident44 Ų4450.4 Ų50.419%0.19328%0.282CS..Hα-helixtrans-66.7-45.1172.3165.4-101.3000112.4L397 F398 I399 L403 V404 F405 L1024 V1027 S1028L397-F401 PolarHBondContact O-N 3.33Å; F398-F401 WeakPolarHBondContact O-CB 3.46Å; F398-F401 PolarHBondContact O-N 3.39Å; I399-F401 PolarHBondContact O-N 3.02Å; F401-L403 VanDerWaalsContact C-N 3.28Å; F401-L403 PolarHBondContact O-N 3.3Å; F401-V404 WeakPolarHBondContact O-CB 3.33Å; F401-V404 PolarHBondContact O-N 3.47Å; F401-F405 HydrophobicContact CE1-CE2 4.05Å; F401-F405 AromaticContact CE2-CE2 4Å; F401-F405 HydrophobicContact CE2-CE2 4Å; F401-F405 AromaticContact CZ-CE2 3.7Å; F401-F405 HydrophobicContact CZ-CE2 3.7Å; F401-F405 HydrophobicContact CZ-CZ 4.38Å; F401-L1024 HydrophobicContact CB-CD2 4.38Å; F401-L1024 HydrophobicContact CD1-CD2 3.54Å; F401-L1024 HydrophobicContact CD2-CD2 3.95Å; F401-L1024 HydrophobicContact CE1-CD2 3.6Å; F401-L1024 HydrophobicContact CE2-CD2 4Å; F401-L1024 HydrophobicContact CG-CD2 3.69Å; F401-L1024 HydrophobicContact CZ-CB 4.17Å; F401-L1024 HydrophobicContact CZ-CD2 3.8Å; F401-V1027 HydrophobicContact CE1-CG1 4.49Å; F401-S1028 WeakPolarHBondContact CZ-OG 3.29Å
402L89.2Confident86Confident2 Ų253.7 Ų53.71%0.0129%0.291CS..Hα-helixtrans-65.8-33.5176.8-60174.7000112.2F398 I399 V404 F405 A406 V439 A961 L965 V1027F398-L402 HydrophobicContact CD1-CD1 4.25Å; F398-L402 HydrophobicContact CE1-CD1 3.89Å; F398-L402 HydrophobicContact CZ-CD1 4.34Å; F398-L402 WeakPolarHBondContact O-CG 3.44Å; F398-L402 PolarHBondContact O-N 2.91Å; F398-L402 VanDerWaalsContact O-N 3.08Å; I399-L402 PolarHBondContact O-N 3.11Å; I399-L402 VanDerWaalsContact O-N 3.13Å; L402-V404 PolarHBondContact O-N 3.43Å; L402-V404 VanDerWaalsContact O-N 3.17Å; L402-F405 PolarHBondContact O-N 3.48Å; L402-A406 PolarHBondContact O-N 3.49Å; L402-A406 VanDerWaalsContact O-N 3.15Å; L402-V439 HydrophobicContact CB-CG1 3.28Å; L402-V439 HydrophobicContact CD1-CG1 4.39Å; L402-V439 HydrophobicContact CG-CG1 4.46Å; L402-A961 HydrophobicContact CD1-CB 3.65Å; L402-A961 HydrophobicContact CD2-CB 3.84Å; L402-A961 HydrophobicContact CG-CB 4.37Å; L402-L965 HydrophobicContact CD2-CD1 4.03Å; L402-L965 HydrophobicContact CD2-CG 4.39Å; L402-V1027 HydrophobicContact CD2-CG1 3.99Å
403L90.2Very high86.9Confident69 Ų6951 Ų5136%0.36128%0.277SS..Hα-helixtrans-58.2-27.9176.4-171.968.9000112.2I399 A400 F401 A406 L407 L436I399-L403 WeakPolarHBondContact O-CB 3.36Å; I399-L403 PolarHBondContact O-N 2.83Å; A400-L403 WeakPolarHBondContact O-CB 3.26Å; F401-L403 VanDerWaalsContact C-N 3.28Å; F401-L403 PolarHBondContact O-N 3.3Å; L403-A406 HydrophobicContact CD1-CB 4.33Å; L403-A406 WeakPolarHBondContact O-CB 3.4Å; L403-A406 PolarHBondContact O-N 3.49Å; L403-L407 HydrophobicContact CG-CD1 4.27Å; L403-L407 HydrophobicContact CG-CG 4.37Å; L403-L407 WeakPolarHBondContact O-CB 3.43Å; L403-L407 VanDerWaalsContact O-CG 3.27Å; L403-L407 WeakPolarHBondContact O-CG 3.26Å; L403-L407 PolarHBondContact O-N 3.4Å; L403-L436 HydrophobicContact CD1-CD2 4.19Å
404V91.5Very high87.5Confident79 Ų7950.8 Ų50.848%0.47926%0.262SS..Hα-helixtrans-62.3-45.4175.1179.10000111.2F401 L402 A406 L407 I408F401-V404 WeakPolarHBondContact O-CB 3.33Å; F401-V404 PolarHBondContact O-N 3.47Å; L402-V404 PolarHBondContact O-N 3.43Å; L402-V404 VanDerWaalsContact O-N 3.17Å; V404-A406 VanDerWaalsContact C-N 3.34Å; V404-L407 PolarHBondContact O-N 2.95Å; V404-I408 HydrophobicContact CG1-CD1 4.35Å; V404-I408 WeakPolarHBondContact O-CG1 3.31Å; V404-I408 PolarHBondContact O-N 2.74Å
405F89Confident88Confident44 Ų4453 Ų5319%0.19328%0.279CS..Hα-helixtrans-66.4-39176-67.2-82.7000111.4F401 L402 L407 I408 A409 L965 S1028 F1031F401-F405 HydrophobicContact CE1-CE2 4.05Å; F401-F405 AromaticContact CE2-CE2 4Å; F401-F405 HydrophobicContact CE2-CE2 4Å; F401-F405 AromaticContact CZ-CE2 3.7Å; F401-F405 HydrophobicContact CZ-CE2 3.7Å; F401-F405 HydrophobicContact CZ-CZ 4.38Å; L402-F405 PolarHBondContact O-N 3.48Å; F405-L407 PolarHBondContact O-N 3.46Å; F405-I408 PolarHBondContact O-N 2.94Å; F405-A409 PolarHBondContact O-N 3.4Å; F405-L965 HydrophobicContact CB-CD2 3.56Å; F405-L965 HydrophobicContact CD2-CD1 4.47Å; F405-L965 HydrophobicContact CG-CD1 4.48Å; F405-L965 HydrophobicContact CG-CD2 4.28Å; F405-S1028 WeakPolarHBondContact CZ-OG 3.37Å; F405-F1031 HydrophobicContact CD1-CD1 4.04Å; F405-F1031 AromaticContact CD1-CE1 3.82Å; F405-F1031 HydrophobicContact CD1-CE1 3.82Å; F405-F1031 HydrophobicContact CE1-CD1 4.19Å; F405-F1031 HydrophobicContact CE1-CE1 4.33Å
406A88.4Confident88.3Confident0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-59-44.8174.900000112.3L402 L403 V404 I408 A409 S410 L436 V439L402-A406 PolarHBondContact O-N 3.49Å; L402-A406 VanDerWaalsContact O-N 3.15Å; L403-A406 HydrophobicContact CD1-CB 4.33Å; L403-A406 WeakPolarHBondContact O-CB 3.4Å; L403-A406 PolarHBondContact O-N 3.49Å; V404-A406 VanDerWaalsContact C-N 3.34Å; A406-I408 VanDerWaalsContact C-N 3.34Å; A406-I408 PolarHBondContact O-N 2.87Å; A406-A409 PolarHBondContact O-N 3.03Å; A406-S410 WeakPolarHBondContact O-CB 3.03Å; A406-S410 PolarHBondContact O-N 3.15Å; A406-L436 HydrophobicContact CB-CD2 3.88Å; A406-V439 HydrophobicContact CB-CB 4.1Å; A406-V439 HydrophobicContact CB-CG1 4.46Å; A406-V439 HydrophobicContact CB-CG2 3.33Å
407L91.6Very high88.1Confident94 Ų9453.1 Ų53.149%0.49228%0.281SS..Hα-helixtrans-63.7-39.4178.6-76.2167000111.6L403 V404 F405 A411 L436L403-L407 HydrophobicContact CG-CD1 4.27Å; L403-L407 HydrophobicContact CG-CG 4.37Å; L403-L407 WeakPolarHBondContact O-CB 3.43Å; L403-L407 VanDerWaalsContact O-CG 3.27Å; L403-L407 WeakPolarHBondContact O-CG 3.26Å; L403-L407 PolarHBondContact O-N 3.4Å; V404-L407 PolarHBondContact O-N 2.95Å; F405-L407 PolarHBondContact O-N 3.46Å; L407-A411 WeakPolarHBondContact O-CB 3.27Å; L407-A411 PolarHBondContact O-N 2.95Å; L407-L436 HydrophobicContact CD2-CD2 3.71Å; L407-L436 HydrophobicContact CG-CD2 3.96Å
408I90.2Very high88Confident111 Ų11152.2 Ų52.257%0.56928%0.279SS*.Hα-helixtrans-64.6-46.4175.4-65.7165.8000110.5V404 F405 A406 A411 Y412V404-I408 HydrophobicContact CG1-CD1 4.35Å; V404-I408 WeakPolarHBondContact O-CG1 3.31Å; V404-I408 PolarHBondContact O-N 2.74Å; F405-I408 PolarHBondContact O-N 2.94Å; A406-I408 VanDerWaalsContact C-N 3.34Å; A406-I408 PolarHBondContact O-N 2.87Å; I408-A411 PolarHBondContact O-N 3.3Å; I408-Y412 WeakPolarHBondContact O-CB 3.22Å; I408-Y412 PolarHBondContact O-N 2.89Å
409A86.8Confident87.8Confident18 Ų1855.4 Ų55.415%0.14931%0.307CS..Hα-helixtrans-63.7-45.8178.200000112.2F405 A406 Y412 V413 I435F405-A409 PolarHBondContact O-N 3.4Å; A406-A409 PolarHBondContact O-N 3.03Å; A409-Y412 WeakPolarHBondContact O-CB 3.25Å; A409-Y412 PolarHBondContact O-N 3.26Å; A409-V413 WeakPolarHBondContact O-CG2 3.44Å; A409-V413 PolarHBondContact O-N 3.47Å; A409-I435 HydrophobicContact CB-CG2 4.14Å
410S89.8Confident87.3Confident11 Ų1156.3 Ų56.38%0.07731%0.312CS..Hα-helixtrans-62.7-42.2177.2-173.40000111.7A406 Y412 V413 W414 C432A406-S410 WeakPolarHBondContact O-CB 3.03Å; A406-S410 PolarHBondContact O-N 3.15Å; S410-Y412 PolarHBondContact O-N 2.77Å; S410-V413 PolarHBondContact O-N 3.49Å; S410-W414 WeakPolarHBondContact O-CB 3.23Å; S410-W414 PolarHBondContact O-N 3.08Å; S410-C432 WeakPolarHBondContact OG-CB 3.33Å; S410-C432 PolarHBondContact OG-O 3.36Å
411A89.9Confident86.5Confident51 Ų5159.6 Ų59.642%0.42133%0.329SS..Hα-helixtrans-63.9-38.9174.900000112.4L407 I408 W414 V415L407-A411 WeakPolarHBondContact O-CB 3.27Å; L407-A411 PolarHBondContact O-N 2.95Å; I408-A411 PolarHBondContact O-N 3.3Å; A411-W414 PolarHBondContact O-N 2.89Å; A411-V415 WeakPolarHBondContact O-CG2 3.35Å; A411-V415 PolarHBondContact O-N 3.17Å
412Y88.5Confident85.5Confident120 Ų12065.2 Ų65.247%0.47135%0.349SS..Hα-helixtrans-62.1-48.8175173.9-106.8000111.6I408 A409 S410 W414 V415 E416 L976I408-Y412 WeakPolarHBondContact O-CB 3.22Å; I408-Y412 PolarHBondContact O-N 2.89Å; A409-Y412 WeakPolarHBondContact O-CB 3.25Å; A409-Y412 PolarHBondContact O-N 3.26Å; S410-Y412 PolarHBondContact O-N 2.77Å; Y412-W414 VanDerWaalsContact C-N 3.28Å; Y412-W414 PolarHBondContact O-N 3.37Å; Y412-V415 PolarHBondContact O-N 2.88Å; Y412-E416 WeakPolarHBondContact O-CB 3.44Å; Y412-E416 PolarHBondContact O-N 3.43Å; Y412-L976 HydrophobicContact CD1-CD1 4.03Å; Y412-L976 HydrophobicContact CE1-CD1 3.43Å; Y412-L976 VanDerWaalsContact CE1-CD1 3.43Å
413V86.8Confident84.6Confident0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-61.6-37.9176.8174.30000111.4A409 S410 G417 L428 I435 Y975 L976A409-V413 WeakPolarHBondContact O-CG2 3.44Å; A409-V413 PolarHBondContact O-N 3.47Å; S410-V413 PolarHBondContact O-N 3.49Å; V413-G417 WeakPolarHBondContact O-CA 3.45Å; V413-G417 PolarHBondContact O-N 2.85Å; V413-L428 HydrophobicContact CG1-CD1 3.95Å; V413-I435 HydrophobicContact CB-CD1 4.18Å; V413-I435 HydrophobicContact CG1-CD1 4.3Å; V413-I435 HydrophobicContact CG2-CD1 3.81Å; V413-Y975 HydrophobicContact CG1-CD1 4.07Å; V413-Y975 HydrophobicContact CG1-CE1 4.39Å; V413-L976 HydrophobicContact CG1-CD2 4.27Å; V413-L976 HydrophobicContact CG2-CD1 4.27Å; V413-L976 HydrophobicContact CG2-CG 4.31Å
414W88.4Confident84Confident114 Ų11467.4 Ų67.443%0.43236%0.359SS..Hα-helixtrans-64.9-47.5176.1-178.2-93.6000112.6S410 A411 Y412 T418 L428 F429S410-W414 WeakPolarHBondContact O-CB 3.23Å; S410-W414 PolarHBondContact O-N 3.08Å; A411-W414 PolarHBondContact O-N 2.89Å; Y412-W414 VanDerWaalsContact C-N 3.28Å; Y412-W414 PolarHBondContact O-N 3.37Å; W414-T418 HydrophobicContact CD2-CG2 4.16Å; W414-T418 HydrophobicContact CG-CG2 4.48Å; W414-T418 HydrophobicContact CZ2-CG2 4.12Å; W414-T418 VanDerWaalsContact O-CB 3.32Å; W414-T418 WeakPolarHBondContact O-CB 3.43Å; W414-T418 VanDerWaalsContact O-CG2 3.23Å; W414-T418 WeakPolarHBondContact O-CG2 2.94Å; W414-T418 PolarHBondContact O-N 2.98Å; W414-T418 PolarHBondContact O-OG1 2.7Å; W414-L428 HydrophobicContact CE3-CD2 4.05Å; W414-L428 HydrophobicContact CE3-CG 4.13Å; W414-L428 HydrophobicContact CZ3-CD2 4.33Å; W414-L428 HydrophobicContact CZ3-CG 4.42Å; W414-F429 HydrophobicContact CZ3-CB 4.19Å; W414-F429 HydrophobicContact CZ3-CD2 4.47Å
415V88.1Confident83.5Confident93 Ų9373.4 Ų73.456%0.56437%0.373SS*.Hα-helixtrans-64.9-48.9-179171.40000110.8A411 Y412 T418 A419A411-V415 WeakPolarHBondContact O-CG2 3.35Å; A411-V415 PolarHBondContact O-N 3.17Å; Y412-V415 PolarHBondContact O-N 2.88Å; V415-T418 PolarHBondContact O-N 3.03Å; V415-T418 PolarHBondContact O-OG1 2.97Å; V415-T418 VanDerWaalsContact O-OG1 3.07Å; V415-A419 PolarHBondContact O-N 3.37Å
416E84.2Confident83Confident99 Ų9976.7 Ų76.746%0.46339%0.385SS..Hα-helixtrans-68.3-39.5179.7-165.267.8-165.300111.4Y412 T418 A419 L976Y412-E416 WeakPolarHBondContact O-CB 3.44Å; Y412-E416 PolarHBondContact O-N 3.43Å; E416-T418 VanDerWaalsContact C-N 3.33Å; E416-T418 PolarHBondContact O-N 3.11Å; E416-A419 WeakPolarHBondContact O-CB 3.36Å; E416-A419 PolarHBondContact O-N 3.5Å; E416-L976 HydrophobicContact CB-CD1 4.46Å; E416-L976 HydrophobicContact CB-CD2 3.86Å; E416-L976 HydrophobicContact CG-CD1 4.44Å; E416-L976 HydrophobicContact CG-CD2 3.97Å
417G80.9Confident82.6Confident2 Ų277.4 Ų77.42%0.02139%0.388CS..Hα-helixtrans-71-24178.600000114.4V413V413-G417 WeakPolarHBondContact O-CA 3.45Å; V413-G417 PolarHBondContact O-N 2.85Å
418T83.6Confident82.2Confident65 Ų6573 Ų7340%0.39937%0.365SS..Hα-helixtrans-86.9-19.1174.650.90000113.4W414 V415 E416 D420 L428W414-T418 HydrophobicContact CD2-CG2 4.16Å; W414-T418 HydrophobicContact CG-CG2 4.48Å; W414-T418 HydrophobicContact CZ2-CG2 4.12Å; W414-T418 VanDerWaalsContact O-CB 3.32Å; W414-T418 WeakPolarHBondContact O-CB 3.43Å; W414-T418 VanDerWaalsContact O-CG2 3.23Å; W414-T418 WeakPolarHBondContact O-CG2 2.94Å; W414-T418 PolarHBondContact O-N 2.98Å; W414-T418 PolarHBondContact O-OG1 2.7Å; V415-T418 PolarHBondContact O-N 3.03Å; V415-T418 PolarHBondContact O-OG1 2.97Å; V415-T418 VanDerWaalsContact O-OG1 3.07Å; E416-T418 VanDerWaalsContact C-N 3.33Å; E416-T418 PolarHBondContact O-N 3.11Å; T418-D420 PolarHBondContact O-N 3.47Å; T418-L428 HydrophobicContact CG2-CD2 3.84Å
419A81.6Confident82Confident75 Ų7573.4 Ų73.462%0.6236%0.363SS*.Hα-helixtrans-63.2-28.8173.400000112.1V415 E416 P421V415-A419 PolarHBondContact O-N 3.37Å; E416-A419 WeakPolarHBondContact O-CB 3.36Å; E416-A419 PolarHBondContact O-N 3.5Å; A419-P421 VanDerWaalsContact O-CD 3.26Å; A419-P421 WeakPolarHBondContact O-CD 3.3Å
420D75.7Confident81.9Confident41 Ų4173 Ų7322%0.21936%0.358CS..SBendtrans-94.7101.4177.8-170.52000110.9T418 R422 R423T418-D420 PolarHBondContact O-N 3.47Å; D420-R422 PolarHBondContact O-N 2.92Å; D420-R422 VanDerWaalsContact O-N 3.08Å; D420-R423 HydrophobicContact CB-CG 4.14Å; D420-R423 PolarHBondContact O-N 3.19Å; D420-R423 IonicContact OD2-NE 3.28Å; D420-R423 PolarHBondContact OD2-NE 2.69Å
421P72.1Confident81.6Confident120 Ų12073.2 Ų73.278%0.77936%0.358SS*.THydrogen-bonded Turntrans-68.1-10.6-172.628.2-35.6000113.8A419A419-P421 VanDerWaalsContact O-CD 3.26Å; A419-P421 WeakPolarHBondContact O-CD 3.3Å
422R68.9Low81.5Confident161 Ų16171.1 Ų71.161%0.60834%0.34SS*.THydrogen-bonded Turntrans-83.3-10.8-178.6-63.3-179.9178.3-177.40.6113.4D420D420-R422 PolarHBondContact O-N 2.92Å; D420-R422 VanDerWaalsContact O-N 3.08Å
423R70.7Confident81.4Confident31 Ų3166.8 Ų66.812%0.11733%0.326CS..SBendtrans-82141-176.7-65.4-174.6-178.2-159.7-1.9112.9D420 R425 L976 L1059D420-R423 HydrophobicContact CB-CG 4.14Å; D420-R423 PolarHBondContact O-N 3.19Å; D420-R423 IonicContact OD2-NE 3.28Å; D420-R423 PolarHBondContact OD2-NE 2.69Å; R423-R425 PolarHBondContact O-N 3.44Å; R423-R425 VanDerWaalsContact O-N 3.09Å; R423-L976 PolarHBondContact NH2-O 3.19Å; R423-L1059 HydrophobicContact CB-CD1 4.38Å; R423-L1059 HydrophobicContact CG-CD1 4.42Å
424N77Confident81.4Confident87 Ų8767.5 Ų67.547%0.46533%0.33SS..  trans-66.5108.4174.3-77.6-17.6000110.9Y426 K427 L428N424-Y426 PolarHBondContact O-N 3.23Å; N424-K427 HydrophobicContact CB-CB 4.27Å; N424-K427 PolarHBondContact O-N 3.12Å; N424-K427 VanDerWaalsContact O-N 3.1Å; N424-L428 PolarHBondContact O-N 2.86Å; N424-L428 VanDerWaalsContact O-N 3.08Å
425R80.5Confident81.3Confident205 Ų20562.1 Ų62.177%0.77431%0.31SS*.Hα-helixtrans-57.1-32.6-179.3-63.7-175.5-178.4-176.50.3113.4R423 F429R423-R425 PolarHBondContact O-N 3.44Å; R423-R425 VanDerWaalsContact O-N 3.09Å; R425-F429 WeakPolarHBondContact O-CB 3.45Å; R425-F429 PolarHBondContact O-N 3.35Å
426Y80.2Confident81.3Confident112 Ų11260 Ų6044%0.43929%0.294SS..Hα-helixtrans-63.6-47.9176.2176.3-99.6000111.9I54 N424 L428 F429 L430I54-Y426 HydrophobicContact CD1-CD2 3.63Å; I54-Y426 HydrophobicContact CD1-CE2 3.55Å; I54-Y426 HydrophobicContact CG1-CE2 4.16Å; N424-Y426 PolarHBondContact O-N 3.23Å; Y426-L428 VanDerWaalsContact C-N 3.33Å; Y426-L428 PolarHBondContact O-N 2.97Å; Y426-F429 PolarHBondContact O-N 2.76Å; Y426-L430 PolarHBondContact O-N 2.84Å
427K79.2Confident81.4Confident16 Ų1655.7 Ų55.77%0.0728%0.275CS..Hα-helixtrans-67.5-35.8179.1-167.5163.2-175.91620111.6E212 N424 L430 E431 Y975 L1059E212-K427 IonicContact OE1-NZ 3.37Å; E212-K427 IonicContact OE2-NZ 3.15Å; E212-K427 PolarHBondContact OE2-NZ 3.45Å; N424-K427 HydrophobicContact CB-CB 4.27Å; N424-K427 PolarHBondContact O-N 3.12Å; N424-K427 VanDerWaalsContact O-N 3.1Å; K427-L430 PolarHBondContact O-N 3.01Å; K427-E431 PolarHBondContact O-N 3.21Å; K427-Y975 VanDerWaalsContact C-OH 3.3Å; K427-Y975 HydrophobicContact CG-CE2 4.29Å; K427-Y975 PolarHBondContact O-OH 3.02Å; K427-L1059 HydrophobicContact CD-CB 3.99Å; K427-L1059 HydrophobicContact CD-CD2 4.08Å; K427-L1059 PolarHBondContact NZ-O 2.87Å
428L83.7Confident81.4Confident2 Ų256.8 Ų56.81%0.0128%0.282CS..Hα-helixtrans-62.4-43.8173.5-176.566.8000111.7V413 W414 T418 N424 Y426 E431 C432 Y975V413-L428 HydrophobicContact CG1-CD1 3.95Å; W414-L428 HydrophobicContact CE3-CD2 4.05Å; W414-L428 HydrophobicContact CE3-CG 4.13Å; W414-L428 HydrophobicContact CZ3-CD2 4.33Å; W414-L428 HydrophobicContact CZ3-CG 4.42Å; T418-L428 HydrophobicContact CG2-CD2 3.84Å; N424-L428 PolarHBondContact O-N 2.86Å; N424-L428 VanDerWaalsContact O-N 3.08Å; Y426-L428 VanDerWaalsContact C-N 3.33Å; Y426-L428 PolarHBondContact O-N 2.97Å; L428-E431 PolarHBondContact O-N 3.34Å; L428-C432 WeakPolarHBondContact O-CB 3.48Å; L428-C432 PolarHBondContact O-N 2.73Å; L428-C432 PolarHBondContact O-SG 3.29Å; L428-Y975 VanDerWaalsContact CA-OH 3.27Å; L428-Y975 WeakPolarHBondContact CA-OH 3.42Å; L428-Y975 HydrophobicContact CD1-CE1 3.7Å; L428-Y975 PolarHBondContact N-OH 3.22Å
429F85.5Confident81.5Confident119 Ų11953.7 Ų53.752%0.52226%0.264SS..Hα-helixtrans-64.5-42.3175.5176-98.7000112.3W414 R425 Y426 C432 T433W414-F429 HydrophobicContact CZ3-CB 4.19Å; W414-F429 HydrophobicContact CZ3-CD2 4.47Å; R425-F429 WeakPolarHBondContact O-CB 3.45Å; R425-F429 PolarHBondContact O-N 3.35Å; Y426-F429 PolarHBondContact O-N 2.76Å; F429-C432 PolarHBondContact O-N 3.22Å; F429-T433 PolarHBondContact O-N 3.18Å; F429-T433 PolarHBondContact O-OG1 3.23Å
430L84.2Confident81.5Confident9 Ų951.8 Ų51.85%0.04724%0.243CC..Hα-helixtrans-58.3-48.9175.6-176.866000110.4L207 L210 D211 Y426 K427 C432 T433 L434L207-L430 HydrophobicContact CD2-CD1 4.29Å; L210-L430 HydrophobicContact CB-CD1 3.95Å; L210-L430 HydrophobicContact CB-CD2 3.83Å; L210-L430 HydrophobicContact CD1-CD1 4.1Å; D211-L430 HydrophobicContact CB-CD2 3.9Å; Y426-L430 PolarHBondContact O-N 2.84Å; K427-L430 PolarHBondContact O-N 3.01Å; L430-C432 PolarHBondContact O-N 2.86Å; L430-T433 CarbonylContact O-C 3.58Å; L430-T433 WeakPolarHBondContact O-CA 3.35Å; L430-T433 WeakPolarHBondContact O-CB 3.39Å; L430-T433 PolarHBondContact O-N 3.46Å; L430-T433 VanDerWaalsContact O-N 3.1Å; L430-L434 HydrophobicContact CG-CD1 4.4Å; L430-L434 WeakPolarHBondContact O-CG 3.3Å; L430-L434 PolarHBondContact O-N 2.9Å
431E83.2Confident81.5Confident15 Ų1550.4 Ų50.47%0.0724%0.236CC..Hα-helixtrans-62.3-45.5178.2-171.966.6-16600112.4K427 L428 T433 L434 I435 Y975K427-E431 PolarHBondContact O-N 3.21Å; L428-E431 PolarHBondContact O-N 3.34Å; E431-T433 PolarHBondContact O-N 3.25Å; E431-L434 WeakPolarHBondContact O-CB 3.09Å; E431-L434 PolarHBondContact O-N 2.98Å; E431-I435 HydrophobicContact CG-CD1 4.09Å; E431-I435 WeakPolarHBondContact O-CG1 2.95Å; E431-I435 PolarHBondContact O-N 3.39Å; E431-Y975 HydrophobicContact CB-CD1 4.38Å; E431-Y975 HydrophobicContact CB-CD2 4Å; E431-Y975 HydrophobicContact CB-CE1 4.19Å; E431-Y975 HydrophobicContact CB-CE2 3.76Å; E431-Y975 HydrophobicContact CB-CG 4.3Å; E431-Y975 HydrophobicContact CG-CD1 3.87Å; E431-Y975 HydrophobicContact CG-CD2 3.55Å; E431-Y975 HydrophobicContact CG-CE1 4.2Å; E431-Y975 HydrophobicContact CG-CE2 3.88Å; E431-Y975 HydrophobicContact CG-CG 3.55Å
432C88.3Confident81.6Confident8 Ų847 Ų475%0.05421%0.209CC..Hα-helixtrans-56.6-35.8175.5-70.90000111.6S410 L428 F429 L430 L436S410-C432 WeakPolarHBondContact OG-CB 3.33Å; S410-C432 PolarHBondContact OG-O 3.36Å; L428-C432 WeakPolarHBondContact O-CB 3.48Å; L428-C432 PolarHBondContact O-N 2.73Å; L428-C432 PolarHBondContact O-SG 3.29Å; F429-C432 PolarHBondContact O-N 3.22Å; L430-C432 PolarHBondContact O-N 2.86Å; C432-L436 VanDerWaalsContact O-CG 3.31Å; C432-L436 WeakPolarHBondContact O-CG 3.34Å; C432-L436 PolarHBondContact O-N 2.72Å
433T87.5Confident81.9Confident29 Ų2941.3 Ų41.318%0.17819%0.19CC..Hα-helixtrans-72.7-41.3175.5-52.90000111.5L207 F429 L430 E431 I435 L436 T437L207-T433 HydrophobicContact CD1-CG2 3.71Å; L207-T433 HydrophobicContact CD2-CG2 4.48Å; F429-T433 PolarHBondContact O-N 3.18Å; F429-T433 PolarHBondContact O-OG1 3.23Å; L430-T433 CarbonylContact O-C 3.58Å; L430-T433 WeakPolarHBondContact O-CA 3.35Å; L430-T433 WeakPolarHBondContact O-CB 3.39Å; L430-T433 PolarHBondContact O-N 3.46Å; L430-T433 VanDerWaalsContact O-N 3.1Å; E431-T433 PolarHBondContact O-N 3.25Å; T433-I435 VanDerWaalsContact C-N 3.34Å; T433-I435 PolarHBondContact O-N 2.97Å; T433-L436 WeakPolarHBondContact O-CB 3.46Å; T433-L436 PolarHBondContact O-N 2.9Å; T433-L436 VanDerWaalsContact O-N 3.16Å; T433-T437 HydrophobicContact CG2-CG2 4.45Å; T433-T437 WeakPolarHBondContact O-CG2 3.45Å; T433-T437 PolarHBondContact O-N 2.58Å; T433-T437 PolarHBondContact O-OG1 2.96Å
434L85.4Confident82.3Confident14 Ų1440.2 Ų40.27%0.07319%0.186CC..Hα-helixtrans-61.7-39.8175.7-70.7-179.6000112.6L207 W208 D211 L430 E431 L436 T437 S438L207-L434 HydrophobicContact CB-CD2 3.59Å; W208-L434 HydrophobicContact CG-CD2 4.39Å; D211-L434 HydrophobicContact CB-CD1 3.91Å; L430-L434 HydrophobicContact CG-CD1 4.4Å; L430-L434 WeakPolarHBondContact O-CG 3.3Å; L430-L434 PolarHBondContact O-N 2.9Å; E431-L434 WeakPolarHBondContact O-CB 3.09Å; E431-L434 PolarHBondContact O-N 2.98Å; L434-L436 VanDerWaalsContact C-N 3.32Å; L434-L436 PolarHBondContact O-N 3.12Å; L434-T437 WeakPolarHBondContact CA-OG1 3.33Å; L434-T437 PolarHBondContact O-N 3.23Å; L434-T437 PolarHBondContact O-OG1 3.43Å; L434-S438 VanDerWaalsContact O-CB 3.26Å; L434-S438 WeakPolarHBondContact O-CB 3.15Å; L434-S438 PolarHBondContact O-N 3.31Å; L434-S438 PolarHBondContact O-OG 3.48Å
435I86.7Confident82.1Confident2 Ų237.2 Ų37.21%0.0117%0.171CC..Hα-helixtrans-60.2-45173.6-68162.5000109.9A409 V413 E431 T433 S438 A968 S972A409-I435 HydrophobicContact CB-CG2 4.14Å; V413-I435 HydrophobicContact CB-CD1 4.18Å; V413-I435 HydrophobicContact CG1-CD1 4.3Å; V413-I435 HydrophobicContact CG2-CD1 3.81Å; E431-I435 HydrophobicContact CG-CD1 4.09Å; E431-I435 WeakPolarHBondContact O-CG1 2.95Å; E431-I435 PolarHBondContact O-N 3.39Å; T433-I435 VanDerWaalsContact C-N 3.34Å; T433-I435 PolarHBondContact O-N 2.97Å; I435-S438 PolarHBondContact O-OG 2.96Å; I435-A968 HydrophobicContact CG2-CB 4.3Å; I435-S972 WeakPolarHBondContact CD1-OG 3.5Å
436L88.2Confident81.8Confident47 Ų4729.6 Ų29.625%0.24615%0.146CC..Hα-helixtrans-65.5-40.8178.2-68.7170.4000112.6L403 A406 L407 C432 T433 L434L403-L436 HydrophobicContact CD1-CD2 4.19Å; A406-L436 HydrophobicContact CB-CD2 3.88Å; L407-L436 HydrophobicContact CD2-CD2 3.71Å; L407-L436 HydrophobicContact CG-CD2 3.96Å; C432-L436 VanDerWaalsContact O-CG 3.31Å; C432-L436 WeakPolarHBondContact O-CG 3.34Å; C432-L436 PolarHBondContact O-N 2.72Å; T433-L436 WeakPolarHBondContact O-CB 3.46Å; T433-L436 PolarHBondContact O-N 2.9Å; T433-L436 VanDerWaalsContact O-N 3.16Å; L434-L436 VanDerWaalsContact C-N 3.32Å; L434-L436 PolarHBondContact O-N 3.12Å
437T86.5Confident81.8Confident9 Ų924.6 Ų24.66%0.05513%0.127CC..Hα-helixtrans-76-29.3-179.558.70000113.2F200 F203 L207 T433 L434 V439 I440F200-T437 HydrophobicContact CE2-CG2 4.42Å; F200-T437 HydrophobicContact CZ-CG2 3.86Å; F203-T437 HydrophobicContact CE1-CG2 4.46Å; L207-T437 HydrophobicContact CD1-CG2 3.65Å; T433-T437 HydrophobicContact CG2-CG2 4.45Å; T433-T437 WeakPolarHBondContact O-CG2 3.45Å; T433-T437 PolarHBondContact O-N 2.58Å; T433-T437 PolarHBondContact O-OG1 2.96Å; L434-T437 WeakPolarHBondContact CA-OG1 3.33Å; L434-T437 PolarHBondContact O-N 3.23Å; L434-T437 PolarHBondContact O-OG1 3.43Å; T437-V439 PolarHBondContact O-N 2.91Å; T437-V439 VanDerWaalsContact O-N 3.13Å; T437-I440 PolarHBondContact O-N 2.77Å; T437-I440 VanDerWaalsContact O-N 3.15Å
438S81.9Confident82Confident25 Ų2524.4 Ų24.418%0.17513%0.126CC..Hα-helixtrans-60.7-21.9178.6720000114.1L434 I435 I440 A968L434-S438 VanDerWaalsContact O-CB 3.26Å; L434-S438 WeakPolarHBondContact O-CB 3.15Å; L434-S438 PolarHBondContact O-N 3.31Å; L434-S438 PolarHBondContact O-OG 3.48Å; I435-S438 PolarHBondContact O-OG 2.96Å; S438-I440 PolarHBondContact O-N 3.42Å; S438-A968 WeakPolarHBondContact OG-CB 3.32Å
439V84Confident81.7Confident1 Ų125.3 Ų25.31%0.00613%0.133CC..THydrogen-bonded Turntrans-71.2-19179.6171.70000113.3L402 A406 T437 P441 A968L402-V439 HydrophobicContact CB-CG1 3.28Å; L402-V439 HydrophobicContact CD1-CG1 4.39Å; L402-V439 HydrophobicContact CG-CG1 4.46Å; A406-V439 HydrophobicContact CB-CB 4.1Å; A406-V439 HydrophobicContact CB-CG1 4.46Å; A406-V439 HydrophobicContact CB-CG2 3.33Å; T437-V439 PolarHBondContact O-N 2.91Å; T437-V439 VanDerWaalsContact O-N 3.13Å; V439-P441 WeakPolarHBondContact O-CD 3.33Å; V439-A968 HydrophobicContact CG2-CB 4.38Å
440I82.5Confident81.6Confident35 Ų3522.6 Ų22.618%0.17912%0.123CC..SBendtrans-89.1104.7171.9-68.8164.2000107.7F197 F200 I399 T437 S438 Q442F197-I440 HydrophobicContact CD1-CG2 4.41Å; F197-I440 HydrophobicContact CE1-CG2 4.45Å; F200-I440 HydrophobicContact CD1-CB 4.08Å; F200-I440 HydrophobicContact CD1-CD1 3.8Å; F200-I440 HydrophobicContact CD1-CG2 3.73Å; F200-I440 HydrophobicContact CD2-CD1 4.19Å; F200-I440 HydrophobicContact CE1-CB 3.52Å; F200-I440 HydrophobicContact CE1-CD1 3.3Å; F200-I440 HydrophobicContact CE1-CG1 3.95Å; F200-I440 HydrophobicContact CE1-CG2 3.73Å; F200-I440 HydrophobicContact CE2-CD1 3.7Å; F200-I440 HydrophobicContact CG-CD1 4.24Å; F200-I440 HydrophobicContact CZ-CB 4.24Å; F200-I440 HydrophobicContact CZ-CD1 3.24Å; F200-I440 HydrophobicContact CZ-CG1 4.22Å; I399-I440 HydrophobicContact CG2-CD1 4.03Å; I399-I440 HydrophobicContact CG2-CG1 3.61Å; T437-I440 PolarHBondContact O-N 2.77Å; T437-I440 VanDerWaalsContact O-N 3.15Å; S438-I440 PolarHBondContact O-N 3.42Å; I440-Q442 PolarHBondContact O-N 2.93Å
441P76Confident81.6Confident12 Ų1222.3 Ų22.38%0.07812%0.122CC..  trans-61.5121-179.523.9-34.7000110.8V439 E443 L444 L960V439-P441 WeakPolarHBondContact O-CD 3.33Å; P441-E443 PolarHBondContact O-N 2.78Å; P441-L444 HydrophobicContact CB-CB 4.11Å; P441-L444 HydrophobicContact CG-CB 3.72Å; P441-L444 HydrophobicContact CG-CD2 4.2Å; P441-L444 HydrophobicContact CG-CG 4.46Å; P441-L444 PolarHBondContact O-N 2.9Å; P441-L960 HydrophobicContact CB-CB 4.1Å; P441-L960 HydrophobicContact CB-CD1 4.17Å; P441-L960 HydrophobicContact CB-CD2 4.17Å; P441-L960 HydrophobicContact CB-CG 4.41Å; P441-L960 HydrophobicContact CG-CB 4.24Å; P441-L960 HydrophobicContact CG-CD1 4.38Å
442Q72.8Confident81.6Confident47 Ų4721.8 Ų21.822%0.2212%0.12CC..THydrogen-bonded Turntrans-67.8-25.7177.862.3-179.6-10.200111.7Q201 W208 Y216 I440Q201-Q442 HydrophobicContact CG-CB 4.47Å; Q201-Q442 PolarHBondContact NE2-O 3.41Å; W208-Q442 VanDerWaalsContact CZ3-OE1 3.25Å; Y216-Q442 PolarHBondContact OH-NE2 3.47Å; I440-Q442 PolarHBondContact O-N 2.93Å
443E76.1Confident81.4Confident42 Ų4223.5 Ų23.520%0.19613%0.129CC..THydrogen-bonded Turntrans-82.2-14.9-177.1-54.279.5-170.300112.8P441 L446 E447 L960P441-E443 PolarHBondContact O-N 2.78Å; E443-L446 WeakPolarHBondContact O-CB 3.39Å; E443-L446 PolarHBondContact O-N 3.17Å; E443-L446 VanDerWaalsContact O-N 3.11Å; E443-E447 HydrophobicContact CB-CG 4.37Å; E443-E447 WeakPolarHBondContact CB-OE1 3.3Å; E443-E447 WeakPolarHBondContact O-CG 3.49Å; E443-E447 PolarHBondContact O-N 2.98Å; E443-L960 HydrophobicContact CB-CD2 4.35Å
444L78.1Confident81.2Confident8 Ų823.4 Ų23.44%0.04213%0.13CC..Hα-helixtrans-58.4-51-170.7175.971.9000113.9P441 L446 E447 L448 Y957 L960P441-L444 HydrophobicContact CB-CB 4.11Å; P441-L444 HydrophobicContact CG-CB 3.72Å; P441-L444 HydrophobicContact CG-CD2 4.2Å; P441-L444 HydrophobicContact CG-CG 4.46Å; P441-L444 PolarHBondContact O-N 2.9Å; L444-L446 PolarHBondContact O-N 2.94Å; L444-E447 PolarHBondContact O-N 2.83Å; L444-L448 HydrophobicContact CD1-CD1 3.96Å; L444-L448 HydrophobicContact CD1-CG 4.14Å; L444-L448 HydrophobicContact CG-CD1 4.03Å; L444-L448 VanDerWaalsContact O-CG 3.26Å; L444-L448 WeakPolarHBondContact O-CG 3.42Å; L444-L448 PolarHBondContact O-N 3.22Å; L444-L448 VanDerWaalsContact O-N 3.14Å; L444-Y957 HydrophobicContact CD1-CD1 3.68Å; L444-Y957 HydrophobicContact CD1-CE1 3.46Å; L444-Y957 VanDerWaalsContact CD1-CE1 3.46Å; L444-Y957 HydrophobicContact CD1-CG 4.37Å; L444-Y957 HydrophobicContact CD2-CD1 4.33Å; L444-Y957 HydrophobicContact CD2-CE1 3.68Å; L444-Y957 HydrophobicContact CG-CE1 4.11Å; L444-L960 HydrophobicContact CB-CD1 3.83Å; L444-L960 HydrophobicContact CD1-CD1 3.6Å; L444-L960 HydrophobicContact CG-CD1 4.36Å
445P72.9Confident81.2Confident24 Ų2422.8 Ų22.816%0.15613%0.126CC..Hα-helixtrans-61.8-34.2178.5-2234.6000112.7S449P445-S449 WeakPolarHBondContact O-CB 3.35Å; P445-S449 PolarHBondContact O-N 3.18Å; P445-S449 PolarHBondContact O-OG 2.95Å
446L75.7Confident81.1Confident46 Ų4624.3 Ų24.324%0.24113%0.134CC..Hα-helixtrans-66.3-50.3178.917261.7000110.9F227 E443 L444 L448 S449 L450F227-L446 HydrophobicContact CB-CD1 4.09Å; F227-L446 HydrophobicContact CD1-CD1 3.42Å; F227-L446 VanDerWaalsContact CD1-CD1 3.42Å; F227-L446 HydrophobicContact CD2-CD1 3.62Å; F227-L446 HydrophobicContact CD2-CD2 3.76Å; F227-L446 HydrophobicContact CD2-CG 4.3Å; F227-L446 HydrophobicContact CE1-CD1 3.59Å; F227-L446 HydrophobicContact CE2-CD1 3.76Å; F227-L446 HydrophobicContact CE2-CD2 3.47Å; F227-L446 VanDerWaalsContact CE2-CD2 3.47Å; F227-L446 HydrophobicContact CE2-CG 4.27Å; F227-L446 HydrophobicContact CG-CD1 3.45Å; F227-L446 VanDerWaalsContact CG-CD1 3.45Å; F227-L446 HydrophobicContact CG-CD2 4.47Å; F227-L446 HydrophobicContact CZ-CD1 3.77Å; F227-L446 HydrophobicContact CZ-CD2 3.99Å; E443-L446 WeakPolarHBondContact O-CB 3.39Å; E443-L446 PolarHBondContact O-N 3.17Å; E443-L446 VanDerWaalsContact O-N 3.11Å; L444-L446 PolarHBondContact O-N 2.94Å; L446-L448 PolarHBondContact O-N 3.2Å; L446-S449 PolarHBondContact O-N 2.92Å; L446-L450 HydrophobicContact CD1-CD1 4.19Å; L446-L450 HydrophobicContact CD1-CG 4.33Å; L446-L450 HydrophobicContact CG-CD1 4.23Å; L446-L450 WeakPolarHBondContact O-CG 3.36Å; L446-L450 PolarHBondContact O-N 3.4Å
447E80.5Confident81Confident7 Ų726.2 Ų26.23%0.03314%0.144CC..Hα-helixtrans-65.1-41.3-177.7-72.8176.8-162.400113E443 L444 S449 L450 A451 M956 L960 F997E443-E447 HydrophobicContact CB-CG 4.37Å; E443-E447 WeakPolarHBondContact CB-OE1 3.3Å; E443-E447 WeakPolarHBondContact O-CG 3.49Å; E443-E447 PolarHBondContact O-N 2.98Å; L444-E447 PolarHBondContact O-N 2.83Å; E447-S449 VanDerWaalsContact C-N 3.29Å; E447-S449 PolarHBondContact O-N 3.25Å; E447-L450 PolarHBondContact O-N 3.47Å; E447-A451 PolarHBondContact O-N 3.13Å; E447-M956 HydrophobicContact CB-CE 4.44Å; E447-M956 HydrophobicContact CB-SD 4.15Å; E447-L960 WeakPolarHBondContact OE2-CD1 3.45Å; E447-F997 VanDerWaalsContact CD-CD2 3.48Å; E447-F997 VanDerWaalsContact CD-CG 3.44Å; E447-F997 HydrophobicContact CG-CB 4.13Å; E447-F997 HydrophobicContact CG-CD2 4.47Å; E447-F997 HydrophobicContact CG-CG 4.17Å; E447-F997 WeakPolarHBondContact OE1-CD2 3.14Å; E447-F997 WeakPolarHBondContact OE1-CE2 3.47Å; E447-F997 WeakPolarHBondContact OE1-CG 3.36Å; E447-F997 WeakPolarHBondContact OE2-CD1 3.03Å; E447-F997 VanDerWaalsContact OE2-CE1 3.3Å; E447-F997 WeakPolarHBondContact OE2-CE1 3.43Å; E447-F997 WeakPolarHBondContact OE2-CZ 3.41Å
448L81.6Confident81Confident11 Ų1127.2 Ų27.26%0.05815%0.153CC..Hα-helixtrans-61.2-41.3175.4-66.9173.1000111.2A390 L444 L446 A451 V452 T953 Y957A390-L448 HydrophobicContact CB-CD1 4.17Å; L444-L448 HydrophobicContact CD1-CD1 3.96Å; L444-L448 HydrophobicContact CD1-CG 4.14Å; L444-L448 HydrophobicContact CG-CD1 4.03Å; L444-L448 VanDerWaalsContact O-CG 3.26Å; L444-L448 WeakPolarHBondContact O-CG 3.42Å; L444-L448 PolarHBondContact O-N 3.22Å; L444-L448 VanDerWaalsContact O-N 3.14Å; L446-L448 PolarHBondContact O-N 3.2Å; L448-A451 PolarHBondContact O-N 3.46Å; L448-V452 VanDerWaalsContact O-CG2 3.32Å; L448-V452 WeakPolarHBondContact O-CG2 3.18Å; L448-V452 PolarHBondContact O-N 3.31Å; L448-V452 VanDerWaalsContact O-N 3.09Å; L448-T953 HydrophobicContact CD2-CG2 3.58Å; L448-Y957 HydrophobicContact CD1-CE2 4.34Å; L448-Y957 VanDerWaalsContact CD1-OH 3.27Å; L448-Y957 WeakPolarHBondContact CD1-OH 3.46Å; L448-Y957 HydrophobicContact CD2-CE2 3.81Å
449S78.4Confident81.2Confident22 Ų2226 Ų2615%0.15415%0.145CC..Hα-helixtrans-66.6-40.4177.8-59.50000111.7P445 L446 E447 V452 N453P445-S449 WeakPolarHBondContact O-CB 3.35Å; P445-S449 PolarHBondContact O-N 3.18Å; P445-S449 PolarHBondContact O-OG 2.95Å; L446-S449 PolarHBondContact O-N 2.92Å; E447-S449 VanDerWaalsContact C-N 3.29Å; E447-S449 PolarHBondContact O-N 3.25Å; S449-V452 PolarHBondContact O-N 3.46Å; S449-N453 WeakPolarHBondContact O-CB 3.46Å; S449-N453 PolarHBondContact O-N 2.9Å
450L82.3Confident81.2Confident61 Ų6127.3 Ų27.332%0.31915%0.153SC..Hα-helixtrans-64-43.6175.2-72.7173.4000112.4L446 E447 V452 N453 S454L446-L450 HydrophobicContact CD1-CD1 4.19Å; L446-L450 HydrophobicContact CD1-CG 4.33Å; L446-L450 HydrophobicContact CG-CD1 4.23Å; L446-L450 WeakPolarHBondContact O-CG 3.36Å; L446-L450 PolarHBondContact O-N 3.4Å; E447-L450 PolarHBondContact O-N 3.47Å; L450-V452 VanDerWaalsContact C-N 3.34Å; L450-V452 PolarHBondContact O-N 3.21Å; L450-N453 PolarHBondContact O-N 3.45Å; L450-S454 VanDerWaalsContact O-CB 3.29Å; L450-S454 WeakPolarHBondContact O-CB 3.43Å; L450-S454 PolarHBondContact O-N 3.45Å
451A84.8Confident81.2Confident3 Ų332.3 Ų32.33%0.02517%0.174CC..Hα-helixtrans-60.7-43.8176.600000111.9E447 L448 S455 T952 T953 M956E447-A451 PolarHBondContact O-N 3.13Å; L448-A451 PolarHBondContact O-N 3.46Å; A451-S455 PolarHBondContact O-N 3.38Å; A451-S455 VanDerWaalsContact O-N 3.13Å; A451-S455 PolarHBondContact O-OG 3.17Å; A451-T952 HydrophobicContact CB-CG2 4.18Å; A451-T953 HydrophobicContact CB-CG2 4.42Å; A451-M956 HydrophobicContact CB-CE 4.19Å; A451-M956 HydrophobicContact CB-SD 4.13Å
452V84.5Confident81.6Confident4 Ų434.8 Ų34.82%0.02419%0.186CC..Hα-helixtrans-67-44.7177.5170.70000111.4L448 S449 L450 S454 S455 L456 P469 F470 I472 P473 T949L448-V452 VanDerWaalsContact O-CG2 3.32Å; L448-V452 WeakPolarHBondContact O-CG2 3.18Å; L448-V452 PolarHBondContact O-N 3.31Å; L448-V452 VanDerWaalsContact O-N 3.09Å; S449-V452 PolarHBondContact O-N 3.46Å; L450-V452 VanDerWaalsContact C-N 3.34Å; L450-V452 PolarHBondContact O-N 3.21Å; V452-S454 PolarHBondContact O-N 2.92Å; V452-S455 WeakPolarHBondContact CA-OG 3.23Å; V452-S455 PolarHBondContact O-N 3.47Å; V452-S455 PolarHBondContact O-OG 2.91Å; V452-L456 PolarHBondContact O-N 3.02Å; V452-P469 VanDerWaalsContact CG1-C 3.47Å; V452-P469 HydrophobicContact CG1-CB 3.27Å; V452-P469 WeakPolarHBondContact CG1-O 3.26Å; V452-F470 HydrophobicContact CG2-CD1 4.29Å; V452-F470 HydrophobicContact CG2-CE1 4.45Å; V452-I472 HydrophobicContact CG1-CD1 4.45Å; V452-P473 HydrophobicContact CG2-CG 4.39Å; V452-T949 HydrophobicContact CG2-CG2 4.41Å
453N82.2Confident82Confident44 Ų4435.4 Ų35.424%0.23519%0.191CC..Hα-helixtrans-65.5-39.1179.4-81.4-20.4000112.8Q234 S449 L450 S455 L456 I457Q234-N453 PolarHBondContact NE2-OD1 3.22Å; Q234-N453 PolarHBondContact OE1-ND2 3.05Å; Q234-N453 PolarHBondContact OE1-OD1 3.27Å; S449-N453 WeakPolarHBondContact O-CB 3.46Å; S449-N453 PolarHBondContact O-N 2.9Å; L450-N453 PolarHBondContact O-N 3.45Å; N453-S455 VanDerWaalsContact C-N 3.31Å; N453-S455 PolarHBondContact O-N 3.41Å; N453-L456 WeakPolarHBondContact O-CB 3.49Å; N453-L456 PolarHBondContact O-N 3.33Å; N453-I457 WeakPolarHBondContact O-CG1 3.29Å; N453-I457 PolarHBondContact O-N 3.4Å; N453-I457 VanDerWaalsContact O-N 3.09Å
454S84.7Confident82.4Confident28 Ų2833.4 Ų33.420%0.19618%0.181CC..Hα-helixtrans-58.8-43.9171.8177.60000111.6L450 V452 L456 I457 A458 S1001L450-S454 VanDerWaalsContact O-CB 3.29Å; L450-S454 WeakPolarHBondContact O-CB 3.43Å; L450-S454 PolarHBondContact O-N 3.45Å; V452-S454 PolarHBondContact O-N 2.92Å; S454-L456 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.48Å; S454-I457 PolarHBondContact O-N 3.47Å; S454-A458 PolarHBondContact O-N 2.93Å; S454-S1001 WeakPolarHBondContact CB-O 3.45Å; S454-S1001 PolarHBondContact OG-O 2.81Å
455S85.9Confident82.6Confident1 Ų134.9 Ų34.91%0.00719%0.186CC..Hα-helixtrans-67.2-32.2176.470.90000113.8A451 V452 N453 A458 L459 I472 Q945 T949A451-S455 PolarHBondContact O-N 3.38Å; A451-S455 VanDerWaalsContact O-N 3.13Å; A451-S455 PolarHBondContact O-OG 3.17Å; V452-S455 WeakPolarHBondContact CA-OG 3.23Å; V452-S455 PolarHBondContact O-N 3.47Å; V452-S455 PolarHBondContact O-OG 2.91Å; N453-S455 VanDerWaalsContact C-N 3.31Å; N453-S455 PolarHBondContact O-N 3.41Å; S455-A458 PolarHBondContact O-N 3.21Å; S455-L459 WeakPolarHBondContact O-CG 3.27Å; S455-L459 PolarHBondContact O-N 3.44Å; S455-I472 VanDerWaalsContact OG-CD1 3.32Å; S455-I472 WeakPolarHBondContact OG-CD1 3.46Å; S455-Q945 VanDerWaalsContact CB-NE2 3.27Å; S455-T949 WeakPolarHBondContact CB-OG1 3.28Å; S455-T949 PolarHBondContact OG-OG1 2.89Å
456L84.4Confident82.9Confident33 Ų3334.4 Ų34.417%0.17318%0.184CC..Hα-helixtrans-63.1-46.7173.1-174.2155.9000110.6V452 N453 S454 A458 L459 C460 P469V452-L456 PolarHBondContact O-N 3.02Å; N453-L456 WeakPolarHBondContact O-CB 3.49Å; N453-L456 PolarHBondContact O-N 3.33Å; S454-L456 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.48Å; L456-A458 VanDerWaalsContact C-N 3.29Å; L456-A458 PolarHBondContact O-N 2.96Å; L456-L459 PolarHBondContact O-N 2.87Å; L456-C460 WeakPolarHBondContact O-CB 3.41Å; L456-C460 PolarHBondContact O-N 3.3Å; L456-C460 PolarHBondContact O-SG 3.46Å; L456-P469 HydrophobicContact CD1-CB 4.29Å; L456-P469 HydrophobicContact CD1-CG 3.86Å
457I84.8Confident82.8Confident87 Ų8734.4 Ų34.445%0.44619%0.186SC..Hα-helixtrans-61.3-40.9177-64.3165.9000110.6N453 S454 C460 K461N453-I457 WeakPolarHBondContact O-CG1 3.29Å; N453-I457 PolarHBondContact O-N 3.4Å; N453-I457 VanDerWaalsContact O-N 3.09Å; S454-I457 PolarHBondContact O-N 3.47Å; I457-C460 PolarHBondContact O-N 2.9Å; I457-K461 HydrophobicContact CG2-CD 4.5Å; I457-K461 WeakPolarHBondContact O-CG 3.05Å; I457-K461 PolarHBondContact O-N 3.15Å; I457-K461 VanDerWaalsContact O-N 3.08Å
458A86.3Confident82.5Confident31 Ų3135.7 Ų35.726%0.25619%0.192SC..Hα-helixtrans-63.3-42.9176.900000112.6S454 S455 L456 K461 L462S454-A458 PolarHBondContact O-N 2.93Å; S455-A458 PolarHBondContact O-N 3.21Å; L456-A458 VanDerWaalsContact C-N 3.29Å; L456-A458 PolarHBondContact O-N 2.96Å; A458-K461 PolarHBondContact O-N 3.47Å; A458-L462 PolarHBondContact O-N 2.87Å
459L86.4Confident82.4Confident0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-66.7-40.6175.6-74.1169.9000112.1S455 L456 K461 L462 L463 V464 I472 F929 I942 Q945S455-L459 WeakPolarHBondContact O-CG 3.27Å; S455-L459 PolarHBondContact O-N 3.44Å; L456-L459 PolarHBondContact O-N 2.87Å; L459-K461 VanDerWaalsContact C-N 3.26Å; L459-K461 PolarHBondContact O-N 3.34Å; L459-L462 CarbonylContact O-C 3.42Å; L459-L462 VanDerWaalsContact O-C 3.32Å; L459-L462 WeakPolarHBondContact O-CA 3.39Å; L459-L462 WeakPolarHBondContact O-CB 3.33Å; L459-L462 PolarHBondContact O-N 3.3Å; L459-L463 PolarHBondContact O-N 2.98Å; L459-V464 CarbonylContact C-O 3.58Å; L459-V464 HydrophobicContact CB-CB 4.17Å; L459-V464 HydrophobicContact CB-CG1 4.43Å; L459-V464 WeakPolarHBondContact CB-O 3.43Å; L459-V464 HydrophobicContact CD2-CB 4.19Å; L459-V464 HydrophobicContact CD2-CG1 4.21Å; L459-V464 PolarHBondContact O-N 3.46Å; L459-V464 VanDerWaalsContact O-O 3.08Å; L459-I472 HydrophobicContact CD1-CD1 3.95Å; L459-I472 HydrophobicContact CD1-CG1 4.09Å; L459-F929 HydrophobicContact CD1-CE1 4.1Å; L459-I942 HydrophobicContact CD2-CG1 4.29Å; L459-Q945 HydrophobicContact CD1-CG 4.29Å; L459-Q945 HydrophobicContact CD2-CB 3.95Å; L459-Q945 HydrophobicContact CD2-CG 4.23Å; L459-Q945 HydrophobicContact CG-CB 4.28Å; L459-Q945 HydrophobicContact CG-CG 3.99Å
460C83.5Confident82.7Confident27 Ų2737.3 Ų37.318%0.18220%0.198CC..Hα-helixtrans-59.8-37.9175.4-74.20000111.7L456 I457 L462 L463 V464L456-C460 WeakPolarHBondContact O-CB 3.41Å; L456-C460 PolarHBondContact O-N 3.3Å; L456-C460 PolarHBondContact O-SG 3.46Å; I457-C460 PolarHBondContact O-N 2.9Å; C460-L462 PolarHBondContact O-N 3.48Å; C460-L463 PolarHBondContact O-N 3.16Å; C460-V464 PolarHBondContact N-O 2.92Å
461K84.1Confident82.9Confident140 Ų14034.7 Ų34.761%0.60918%0.183SC*.Hα-helixtrans-63.5-23.6173.3-72.6176.7-178.9-177.20112.8I457 A458 L459 E912I457-K461 HydrophobicContact CG2-CD 4.5Å; I457-K461 WeakPolarHBondContact O-CG 3.05Å; I457-K461 PolarHBondContact O-N 3.15Å; I457-K461 VanDerWaalsContact O-N 3.08Å; A458-K461 PolarHBondContact O-N 3.47Å; L459-K461 VanDerWaalsContact C-N 3.26Å; L459-K461 PolarHBondContact O-N 3.34Å; K461-E912 IonicContact NZ-OE1 3.35Å; K461-E912 PolarHBondContact NZ-OE1 3.21Å
462L83.9Confident83.1Confident64 Ų6434.6 Ų34.634%0.33518%0.183SC..THydrogen-bonded Turntrans-96.214.9174.1-60.9173.7000112.8A458 L459 C460 V464 M933 H941A458-L462 PolarHBondContact O-N 2.87Å; L459-L462 CarbonylContact O-C 3.42Å; L459-L462 VanDerWaalsContact O-C 3.32Å; L459-L462 WeakPolarHBondContact O-CA 3.39Å; L459-L462 WeakPolarHBondContact O-CB 3.33Å; L459-L462 PolarHBondContact O-N 3.3Å; C460-L462 PolarHBondContact O-N 3.48Å; L462-V464 PolarHBondContact O-N 2.94Å; L462-M933 WeakPolarHBondContact O-CE 3.17Å; L462-H941 HydrophobicContact CD1-CB 4.04Å
463L81.8Confident83.3Confident60 Ų6035.2 Ų35.231%0.31419%0.187SC..THydrogen-bonded Turntrans59.226.4-178.5-54.8174.1000114.1L459 C460 K932L459-L463 PolarHBondContact O-N 2.98Å; C460-L463 PolarHBondContact O-N 3.16Å; L463-K932 HydrophobicContact CB-CB 4.14Å; L463-K932 PolarHBondContact O-N 3.01Å
464V84Confident83.7Confident0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-107.7117.3171.41790000108.3L459 C460 L462 F929 T930 A931 I942L459-V464 CarbonylContact C-O 3.58Å; L459-V464 HydrophobicContact CB-CB 4.17Å; L459-V464 HydrophobicContact CB-CG1 4.43Å; L459-V464 WeakPolarHBondContact CB-O 3.43Å; L459-V464 HydrophobicContact CD2-CB 4.19Å; L459-V464 HydrophobicContact CD2-CG1 4.21Å; L459-V464 PolarHBondContact O-N 3.46Å; L459-V464 VanDerWaalsContact O-O 3.08Å; C460-V464 PolarHBondContact N-O 2.92Å; L462-V464 PolarHBondContact O-N 2.94Å; V464-F929 HydrophobicContact CG1-CD1 4.3Å; V464-T930 WeakPolarHBondContact CA-O 3.31Å; V464-A931 HydrophobicContact CG2-CB 4.32Å; V464-I942 HydrophobicContact CG1-CD1 3.81Å; V464-I942 HydrophobicContact CG1-CG1 3.74Å
465Y81.9Confident84Confident39 Ų3933.6 Ų33.615%0.15317%0.174CC..EExtended strand (participates in β ladder)trans-98.1145.1177.8-59.9-84.3000109.8V915 F929 T930 K932Y465-V915 HydrophobicContact CE1-CG1 4.25Å; Y465-F929 CarbonylContact O-C 3.05Å; Y465-F929 VanDerWaalsContact O-CA 3.3Å; Y465-F929 WeakPolarHBondContact O-CA 3.19Å; Y465-T930 PolarHBondContact N-O 2.89Å; Y465-T930 PolarHBondContact O-N 2.84Å; Y465-K932 HydrophobicContact CE2-CB 4.43Å
466C79.1Confident84.1Confident15 Ų1533.9 Ų33.910%0.10118%0.177CC..EExtended strand (participates in β ladder)trans-126.5123.3179.5-175.50000110E468 P928 F929C466-E468 PolarHBondContact SG-O 3.44Å; C466-P928 CarbonylContact C-O 3.19Å; C466-P928 VanDerWaalsContact CA-O 3.32Å; C466-P928 WeakPolarHBondContact CA-O 3.47Å; C466-P928 PolarHBondContact SG-O 3.26Å; C466-P928 VanDerWaalsContact SG-O 3.39Å; C466-F929 HydrophobicContact CB-CD1 3.86Å; C466-F929 HydrophobicContact CB-CE1 3.81Å; C466-F929 WeakPolarHBondContact SG-CE1 3.34Å
467T73.5Confident84.4Confident46 Ų4633.9 Ų33.928%0.28218%0.176SC..SBendtrans-85.7-29.2177.553.90000111.9A927 P928T467-A927 PolarHBondContact OG1-O 2.83Å; T467-P928 PolarHBondContact N-O 3.44Å; T467-P928 WeakPolarHBondContact OG1-CA 3.38Å; T467-P928 PolarHBondContact OG1-O 2.79Å
468E75.2Confident84.7Confident34 Ų3429.9 Ų29.916%0.15916%0.155CC..  trans-121.887.1-180-70.9-174.2-141.500111.6C466 F470 R471 K835C466-E468 PolarHBondContact SG-O 3.44Å; E468-F470 VanDerWaalsContact C-N 3.32Å; E468-F470 PolarHBondContact O-N 2.79Å; E468-R471 HydrophobicContact CB-CG 4.15Å; E468-R471 WeakPolarHBondContact O-CB 3.38Å; E468-R471 PolarHBondContact O-N 2.95Å; E468-R471 IonicContact OE1-NE 2.81Å; E468-R471 IonicContact OE1-NH2 3.09Å; E468-R471 WeakPolarHBondContact OE2-CD 3.16Å; E468-R471 IonicContact OE2-CZ 3.73Å; E468-R471 IonicContact OE2-NE 2.77Å; E468-R471 PolarHBondContact OE2-NE 3.48Å; E468-R471 IonicContact OE2-NH2 2.91Å; E468-R471 PolarHBondContact OE2-NH2 3.46Å; E468-K835 IonicContact OE1-NZ 3.83Å; E468-K835 PolarHBondContact OE1-NZ 2.98Å
469P79.3Confident84.9Confident20 Ų2028.7 Ų28.713%0.1315%0.145CC..G310 helixtrans-59.6-35.2-169.2-24.833.4000114.8V452 L456 R471 I472V452-P469 VanDerWaalsContact CG1-C 3.47Å; V452-P469 HydrophobicContact CG1-CB 3.27Å; V452-P469 WeakPolarHBondContact CG1-O 3.26Å; L456-P469 HydrophobicContact CD1-CB 4.29Å; L456-P469 HydrophobicContact CD1-CG 3.86Å; P469-R471 PolarHBondContact O-N 3.32Å; P469-I472 WeakPolarHBondContact O-CB 3.38Å; P469-I472 WeakPolarHBondContact O-CD1 3.47Å; P469-I472 VanDerWaalsContact O-CG1 3.24Å; P469-I472 WeakPolarHBondContact O-CG1 3.32Å; P469-I472 PolarHBondContact O-N 3.44Å
470F83.2Confident85.3Confident46 Ų4628.8 Ų28.820%0.20215%0.145CC..G310 helixtrans-68.5-3.2178.5-69.9-74.4000114.3V388 A390 V452 E468 P473V388-F470 HydrophobicContact CB-CB 4.18Å; V388-F470 HydrophobicContact CG1-CB 4.08Å; V388-F470 WeakPolarHBondContact O-CB 3.48Å; A390-F470 HydrophobicContact CB-CE1 4.21Å; V452-F470 HydrophobicContact CG2-CD1 4.29Å; V452-F470 HydrophobicContact CG2-CE1 4.45Å; E468-F470 VanDerWaalsContact C-N 3.32Å; E468-F470 PolarHBondContact O-N 2.79Å; F470-P473 WeakPolarHBondContact O-CD 3.32Å
471R86.8Confident85.8Confident6 Ų627.5 Ų27.52%0.02314%0.137CC..G310 helixtrans-84.2-14.3169.4-70.1-178.5175-126.723.9113.8V388 E468 P469 F474 A475 K835 A837 H838 F929V388-R471 HydrophobicContact CG2-CG 4.31Å; E468-R471 HydrophobicContact CB-CG 4.15Å; E468-R471 WeakPolarHBondContact O-CB 3.38Å; E468-R471 PolarHBondContact O-N 2.95Å; E468-R471 IonicContact OE1-NE 2.81Å; E468-R471 IonicContact OE1-NH2 3.09Å; E468-R471 WeakPolarHBondContact OE2-CD 3.16Å; E468-R471 IonicContact OE2-CZ 3.73Å; E468-R471 IonicContact OE2-NE 2.77Å; E468-R471 PolarHBondContact OE2-NE 3.48Å; E468-R471 IonicContact OE2-NH2 2.91Å; E468-R471 PolarHBondContact OE2-NH2 3.46Å; P469-R471 PolarHBondContact O-N 3.32Å; R471-F474 HydrophobicContact CB-CD2 4.34Å; R471-F474 HydrophobicContact CG-CD2 4.21Å; R471-F474 WeakPolarHBondContact O-CB 3.2Å; R471-F474 PolarHBondContact O-N 3.09Å; R471-A475 PolarHBondContact O-N 2.96Å; R471-K835 PolarHBondContact NH2-O 2.64Å; R471-A837 PolarHBondContact NH1-O 3.04Å; R471-H838 PolarHBondContact NH1-O 3.08Å; R471-F929 HydrophobicContact CB-CE2 4.09Å; R471-F929 HydrophobicContact CB-CZ 4.3Å
472I89.8Confident86.3Confident1 Ų120.9 Ų20.91%0.00511%0.108CC..Hα-helixtrans-56-47.1178-62.9167.2000111.7V452 S455 L459 P469 F474 A475 F929 Q945 G946 T949V452-I472 HydrophobicContact CG1-CD1 4.45Å; S455-I472 VanDerWaalsContact OG-CD1 3.32Å; S455-I472 WeakPolarHBondContact OG-CD1 3.46Å; L459-I472 HydrophobicContact CD1-CD1 3.95Å; L459-I472 HydrophobicContact CD1-CG1 4.09Å; P469-I472 WeakPolarHBondContact O-CB 3.38Å; P469-I472 WeakPolarHBondContact O-CD1 3.47Å; P469-I472 VanDerWaalsContact O-CG1 3.24Å; P469-I472 WeakPolarHBondContact O-CG1 3.32Å; P469-I472 PolarHBondContact O-N 3.44Å; I472-F474 PolarHBondContact O-N 2.9Å; I472-A475 VanDerWaalsContact O-CB 3.31Å; I472-A475 WeakPolarHBondContact O-CB 3.42Å; I472-A475 PolarHBondContact O-N 2.79Å; I472-F929 HydrophobicContact CB-CZ 4.5Å; I472-F929 HydrophobicContact CG1-CE1 3.73Å; I472-F929 HydrophobicContact CG1-CZ 3.78Å; I472-Q945 HydrophobicContact CG2-CG 4.43Å; I472-G946 WeakPolarHBondContact O-CA 3.37Å; I472-T949 HydrophobicContact CG2-CG2 4.3Å
473P88.9Confident86.8Confident18 Ų1817.9 Ų17.912%0.1179%0.092CC..Hα-helixtrans-61.8-27.2176.8-22.333.6000114.1V452 F470 A475 G476 T949V452-P473 HydrophobicContact CG2-CG 4.39Å; F470-P473 WeakPolarHBondContact O-CD 3.32Å; P473-A475 VanDerWaalsContact C-N 3.26Å; P473-A475 PolarHBondContact O-N 3.23Å; P473-G476 PolarHBondContact O-N 3.4Å; P473-G476 VanDerWaalsContact O-N 3.17Å; P473-T949 HydrophobicContact CG-CG2 4.05Å
474F89.6Confident87.3Confident38 Ų3815.4 Ų15.417%0.1678%0.079CC..Hα-helixtrans-69.1-26.4175.2-63.9-47.5000112.6V388 R471 I472 G476 K477 I478 V839V388-F474 HydrophobicContact CB-CE2 4.1Å; V388-F474 HydrophobicContact CG1-CE2 3.42Å; V388-F474 VanDerWaalsContact CG1-CE2 3.42Å; V388-F474 HydrophobicContact CG1-CZ 3.62Å; V388-F474 HydrophobicContact CG2-CE2 3.68Å; V388-F474 HydrophobicContact CG2-CZ 4.44Å; R471-F474 HydrophobicContact CB-CD2 4.34Å; R471-F474 HydrophobicContact CG-CD2 4.21Å; R471-F474 WeakPolarHBondContact O-CB 3.2Å; R471-F474 PolarHBondContact O-N 3.09Å; I472-F474 PolarHBondContact O-N 2.9Å; F474-G476 PolarHBondContact O-N 3Å; F474-K477 HydrophobicContact CD1-CD 4.35Å; F474-K477 PolarHBondContact O-N 3.45Å; F474-I478 PolarHBondContact O-N 3.45Å; F474-V839 HydrophobicContact CB-CG2 4.16Å
475A91.2Very high87.6Confident0 Ų015.6 Ų15.60%08%0.08CC..Hα-helixtrans-62.8-25.3172.700000112.4R471 I472 P473 K477 I478 V839 I942R471-A475 PolarHBondContact O-N 2.96Å; I472-A475 VanDerWaalsContact O-CB 3.31Å; I472-A475 WeakPolarHBondContact O-CB 3.42Å; I472-A475 PolarHBondContact O-N 2.79Å; P473-A475 VanDerWaalsContact C-N 3.26Å; P473-A475 PolarHBondContact O-N 3.23Å; A475-K477 VanDerWaalsContact C-N 3.27Å; A475-K477 PolarHBondContact O-N 3.2Å; A475-I478 HydrophobicContact CB-CD1 4.08Å; A475-I478 WeakPolarHBondContact O-CD1 3.48Å; A475-V839 HydrophobicContact CB-CG1 4.36Å; A475-V839 HydrophobicContact CB-CG2 3.96Å; A475-I942 HydrophobicContact CB-CG2 3.64Å
476G88.7Confident87.7Confident7 Ų715.2 Ų15.27%0.0728%0.082CC..THydrogen-bonded Turntrans-71.1-18.617100000114.6P473 F474 G946 P1014P473-G476 PolarHBondContact O-N 3.4Å; P473-G476 VanDerWaalsContact O-N 3.17Å; F474-G476 PolarHBondContact O-N 3Å; G476-G946 VanDerWaalsContact CA-C 3.49Å; G476-P1014 VanDerWaalsContact O-CG 3.26Å; G476-P1014 WeakPolarHBondContact O-CG 3.45Å
477K89.4Confident87.8Confident32 Ų3214.6 Ų14.614%0.1398%0.078CC..THydrogen-bonded Turntrans-106.86.8-172.9-50.4-173.4-168.8-165.50114F474 A475 D479 I820 L950 P1016F474-K477 HydrophobicContact CD1-CD 4.35Å; F474-K477 PolarHBondContact O-N 3.45Å; A475-K477 VanDerWaalsContact C-N 3.27Å; A475-K477 PolarHBondContact O-N 3.2Å; K477-D479 PolarHBondContact O-N 3.02Å; K477-I820 HydrophobicContact CB-CD1 3.35Å; K477-I820 HydrophobicContact CB-CG2 4.41Å; K477-I820 HydrophobicContact CD-CD1 4.02Å; K477-I820 HydrophobicContact CG-CD1 4.32Å; K477-I820 WeakPolarHBondContact O-CB 3.32Å; K477-I820 WeakPolarHBondContact O-CD1 3.24Å; K477-L950 HydrophobicContact CD-CD2 4.46Å; K477-L950 VanDerWaalsContact CE-CD1 3.44Å; K477-L950 HydrophobicContact CG-CD1 4.35Å; K477-L950 HydrophobicContact CG-CD2 3.53Å; K477-P1016 HydrophobicContact CB-CB 4.46Å; K477-P1016 HydrophobicContact CD-CB 4.11Å; K477-P1016 WeakPolarHBondContact CD-O 3.44Å; K477-P1016 WeakPolarHBondContact CE-O 3.45Å; K477-P1016 HydrophobicContact CG-CB 4.18Å; K477-P1016 PolarHBondContact NZ-O 3.32Å
478I92.4Very high88.5Confident3 Ų312.4 Ų12.42%0.0157%0.065CC..  trans-61134.8-172.7-67.3161.5000111.6F474 A475 H695 I820 L822 V839 I943F474-I478 PolarHBondContact O-N 3.45Å; A475-I478 HydrophobicContact CB-CD1 4.08Å; A475-I478 WeakPolarHBondContact O-CD1 3.48Å; I478-H695 PolarHBondContact O-CD2 3.01Å; I478-I820 HydrophobicContact CG1-CG2 4.29Å; I478-L822 HydrophobicContact CD1-CB 3.74Å; I478-L822 HydrophobicContact CD1-CD1 3.47Å; I478-L822 VanDerWaalsContact CD1-CD1 3.47Å; I478-L822 HydrophobicContact CD1-CG 4.23Å; I478-L822 HydrophobicContact CG1-CB 4.2Å; I478-L822 HydrophobicContact CG2-CB 3.98Å; I478-V839 HydrophobicContact CD1-CB 4.18Å; I478-V839 HydrophobicContact CD1-CG1 4.38Å; I478-V839 HydrophobicContact CD1-CG2 4.09Å; I478-V839 HydrophobicContact CG1-CG2 4.34Å; I478-I943 HydrophobicContact CD1-CD1 4.41Å; I478-I943 HydrophobicContact CD1-CG1 3.86Å
479D90.7Very high89.2Confident6 Ų610.8 Ų10.83%0.0326%0.057CC..  trans-102.3-44.3173-72.4-47.7000111.8K477 H696 Y819 I820 R1013 K1167K477-D479 PolarHBondContact O-N 3.02Å; D479-H696 PolarHBondContact O-N 3.11Å; D479-Y819 HydrophobicContact CB-CD1 4.3Å; D479-I820 PolarHBondContact N-O 3.46Å; D479-I820 PolarHBondContact OD2-N 3.08Å; D479-R1013 IonicContact OD1-CZ 2.71Å; D479-R1013 IonicContact OD1-NH1 2.64Å; D479-R1013 PolarHBondContact OD1-NH1 2.82Å; D479-K1167 IonicContact OD2-NZ 2.73Å; D479-K1167 PolarHBondContact OD2-NZ 3.43Å
480I93.4Very high89.6Confident3 Ų39.8 Ų9.82%0.0155%0.051CC..EExtended strand (participates in β ladder)trans-125.1127.3-172.3-57.5170.2000109.6H696 L814 Y819 I820 T821 L822 L1169I480-H696 CarbonylContact C-O 3.1Å; I480-H696 VanDerWaalsContact CA-O 3.25Å; I480-H696 WeakPolarHBondContact CA-O 3.43Å; I480-H696 HydrophobicContact CG1-CB 4.11Å; I480-L814 HydrophobicContact CD1-CD1 4.13Å; I480-L814 HydrophobicContact CD1-CD2 3.6Å; I480-L814 HydrophobicContact CD1-CG 4.37Å; I480-L814 HydrophobicContact CG2-CD1 4.5Å; I480-Y819 HydrophobicContact CD1-CD1 4.32Å; I480-Y819 HydrophobicContact CD1-CD2 4.23Å; I480-Y819 HydrophobicContact CD1-CG 3.88Å; I480-I820 PolarHBondContact N-O 3.17Å; I480-I820 VanDerWaalsContact N-O 3.17Å; I480-T821 HydrophobicContact CB-CG2 4.49Å; I480-T821 WeakPolarHBondContact O-CA 3.36Å; I480-L822 PolarHBondContact O-N 3.43Å; I480-L1169 HydrophobicContact CD1-CD1 4.34Å; I480-L1169 HydrophobicContact CG1-CD1 3.93Å
481C94.9Very high89.7Confident0 Ų010.7 Ų10.70%06%0.055CC..EExtended strand (participates in β ladder)trans-107.1112.3171.8-62.50000109.4F483 H696 I697 S698 L822C481-F483 HydrophobicContact CB-CE2 3.78Å; C481-F483 HydrophobicContact CB-CZ 4.46Å; C481-H696 PolarHBondContact N-O 3.25Å; C481-I697 WeakPolarHBondContact O-CA 3.26Å; C481-S698 PolarHBondContact O-N 3.44Å; C481-L822 HydrophobicContact CB-CD2 4.27Å
482A95Very high89.2Confident1 Ų113.8 Ų13.81%0.0087%0.073CC..EExtended strand (participates in β ladder)trans-97.4133.6173.700000110.4S698 I700 L811 L822 M823 C824A482-S698 CarbonylContact C-O 3.18Å; A482-S698 VanDerWaalsContact CA-O 3.25Å; A482-S698 WeakPolarHBondContact CA-O 3.41Å; A482-I700 HydrophobicContact CB-CD1 3.72Å; A482-I700 HydrophobicContact CB-CG1 4.16Å; A482-L811 HydrophobicContact CB-CD2 4.48Å; A482-L822 PolarHBondContact N-O 3.12Å; A482-M823 HydrophobicContact CB-SD 3.62Å; A482-M823 CarbonylContact O-C 3.49Å; A482-M823 WeakPolarHBondContact O-CA 3.32Å; A482-C824 PolarHBondContact O-N 3.02Å
483F95Very high88.8Confident0 Ų018.1 Ų18.10%010%0.095CC..EExtended strand (participates in β ladder)trans-122.4137.4177.6-69.4-89.5000110.7C481 T488 L489 I687 L690 I697 S698 M699 I700 C824 P936 V939C481-F483 HydrophobicContact CB-CE2 3.78Å; C481-F483 HydrophobicContact CB-CZ 4.46Å; F483-T488 HydrophobicContact CD1-CG2 4.13Å; F483-L489 HydrophobicContact CB-CD1 3.91Å; F483-L489 HydrophobicContact CB-CD2 4.37Å; F483-L489 HydrophobicContact CB-CG 4.09Å; F483-L489 HydrophobicContact CD1-CD2 4.2Å; F483-L489 HydrophobicContact CG-CD2 4.31Å; F483-I687 HydrophobicContact CD2-CD1 3.9Å; F483-I687 HydrophobicContact CE1-CD1 4.48Å; F483-I687 HydrophobicContact CE2-CD1 3.53Å; F483-I687 HydrophobicContact CZ-CD1 3.87Å; F483-L690 HydrophobicContact CE2-CD1 3.73Å; F483-L690 HydrophobicContact CZ-CD1 3.48Å; F483-L690 VanDerWaalsContact CZ-CD1 3.48Å; F483-I697 HydrophobicContact CD2-CG2 4Å; F483-I697 HydrophobicContact CE2-CG2 4.12Å; F483-S698 PolarHBondContact N-O 3.43Å; F483-M699 CarbonylContact O-C 3.6Å; F483-M699 WeakPolarHBondContact O-CA 3.38Å; F483-I700 PolarHBondContact O-N 3.4Å; F483-C824 HydrophobicContact CD1-CB 3.69Å; F483-C824 HydrophobicContact CE1-CB 3.81Å; F483-P936 HydrophobicContact CE1-CB 4.4Å; F483-V939 HydrophobicContact CE1-CG2 4.03Å; F483-V939 HydrophobicContact CZ-CG1 4.2Å; F483-V939 HydrophobicContact CZ-CG2 4.4Å
484D92.2Very high88.7Confident8 Ų818.2 Ų18.24%0.04310%0.095CC..  trans-73.4160159.1-158-1.1000110.4T488 L489 I700 T701 K807 M823 C824 D830D484-T488 WeakPolarHBondContact O-CB 3.35Å; D484-T488 WeakPolarHBondContact O-CG2 3.34Å; D484-L489 WeakPolarHBondContact O-CG 3.47Å; D484-I700 WeakPolarHBondContact CA-O 3.41Å; D484-T701 WeakPolarHBondContact OD1-CA 3.46Å; D484-T701 WeakPolarHBondContact OD1-CB 3.27Å; D484-T701 PolarHBondContact OD1-OG1 2.95Å; D484-T701 VanDerWaalsContact OD1-OG1 3.09Å; D484-K807 VanDerWaalsContact CG-NZ 3.35Å; D484-K807 IonicContact OD1-NZ 3.81Å; D484-K807 IonicContact OD2-NZ 3.73Å; D484-K807 PolarHBondContact OD2-NZ 3.05Å; D484-M823 HydrophobicContact CB-CE 4.28Å; D484-C824 PolarHBondContact N-O 3.21Å; D484-D830 WeakPolarHBondContact CB-OD2 3.31Å
485K89.7Confident88.6Confident4 Ų419.5 Ų19.52%0.01711%0.106CC..Iπ-helixtrans-84.8-68.5177.9-172.7-160128.3-152.90110.7T488 L489 T490 M699 T701 D703 T707 V711K485-T488 PolarHBondContact O-N 2.95Å; K485-L489 PolarHBondContact O-N 3.48Å; K485-T490 HydrophobicContact CG-CG2 4.2Å; K485-T490 PolarHBondContact O-N 3.19Å; K485-T490 PolarHBondContact O-OG1 3.16Å; K485-M699 HydrophobicContact CB-SD 4.17Å; K485-M699 HydrophobicContact CG-SD 4.42Å; K485-T701 HydrophobicContact CB-CG2 4.39Å; K485-D703 HydrophobicContact CD-CB 4.43Å; K485-D703 VanDerWaalsContact CD-OD2 3.3Å; K485-D703 WeakPolarHBondContact CD-OD2 3.42Å; K485-D703 WeakPolarHBondContact CE-OD2 3.44Å; K485-D703 VanDerWaalsContact NZ-CG 3.29Å; K485-D703 IonicContact NZ-OD1 2.87Å; K485-D703 IonicContact NZ-OD2 3.5Å; K485-D703 PolarHBondContact NZ-OD2 3.27Å; K485-T707 HydrophobicContact CD-CG2 4.47Å; K485-V711 HydrophobicContact CD-CG2 4.16Å; K485-V711 HydrophobicContact CG-CG1 4.19Å
486T83.9Confident88.7Confident31 Ų3120.6 Ų20.619%0.1911%0.113CC..Iπ-helixtrans-69.6136.7-171.5-58.10000110.4T488 T490 D703T486-T488 PolarHBondContact O-N 3.38Å; T486-T490 WeakPolarHBondContact CA-OG1 3.48Å; T486-D703 PolarHBondContact OG1-OD2 2.86Å; T486-D703 VanDerWaalsContact OG1-OD2 3.08Å
487G80.9Confident88.7Confident2 Ų224.8 Ų24.82%0.02113%0.13CC..Iπ-helixtrans65.9-5.5-176.700000115.2T490 K680 N845G487-T490 CarbonylContact C-O 3.58Å; G487-T490 WeakPolarHBondContact CA-O 3.33Å; G487-T490 PolarHBondContact N-O 3.38Å; G487-K680 PolarHBondContact O-NZ 3.32Å; G487-N845 WeakPolarHBondContact CA-ND2 3.32Å; G487-N845 PolarHBondContact O-ND2 3.28Å; G487-N845 PolarHBondContact O-OD1 2.63Å
488T88.4Confident88.8Confident0 Ų023.3 Ų23.30%012%0.124CC..Iπ-helixtrans-116.2-68.6-174.6-61.80000111.5F483 D484 K485 T486 T490 K680 C824 G825 D826 L843F483-T488 HydrophobicContact CD1-CG2 4.13Å; D484-T488 WeakPolarHBondContact O-CB 3.35Å; D484-T488 WeakPolarHBondContact O-CG2 3.34Å; K485-T488 PolarHBondContact O-N 2.95Å; T486-T488 PolarHBondContact O-N 3.38Å; T488-T490 PolarHBondContact N-O 3.36Å; T488-K680 WeakPolarHBondContact O-CD 3.23Å; T488-K680 WeakPolarHBondContact O-CE 3.07Å; T488-K680 PolarHBondContact O-NZ 2.93Å; T488-C824 HydrophobicContact CG2-CB 4.46Å; T488-G825 WeakPolarHBondContact OG1-CA 3.1Å; T488-D826 PolarHBondContact OG1-N 2.89Å; T488-L843 HydrophobicContact CG2-CD1 3.93Å
489L90.5Very high88.8Confident0 Ų023.1 Ų23.10%012%0.123CC..Iπ-helixtrans-86.3-35.4174.3-68.3172.1000112F483 D484 K485 K680 S683 I687 M699 I717F483-L489 HydrophobicContact CB-CD1 3.91Å; F483-L489 HydrophobicContact CB-CD2 4.37Å; F483-L489 HydrophobicContact CB-CG 4.09Å; F483-L489 HydrophobicContact CD1-CD2 4.2Å; F483-L489 HydrophobicContact CG-CD2 4.31Å; D484-L489 WeakPolarHBondContact O-CG 3.47Å; K485-L489 PolarHBondContact O-N 3.48Å; L489-K680 PolarHBondContact O-N 3.46Å; L489-S683 PolarHBondContact O-OG 3.05Å; L489-I687 HydrophobicContact CD2-CD1 4.33Å; L489-I687 HydrophobicContact CD2-CG1 4.3Å; L489-M699 HydrophobicContact CD1-CE 3.45Å; L489-M699 VanDerWaalsContact CD1-CE 3.45Å; L489-I717 HydrophobicContact CD1-CD1 4.19Å
490T87.7Confident88.7Confident0 Ų022.9 Ų22.90%012%0.122CC..BIsolated β-bridgetrans-99157.4170.863.60000110.3K485 T486 G487 T488 C677 P678 L679 K680K485-T490 HydrophobicContact CG-CG2 4.2Å; K485-T490 PolarHBondContact O-N 3.19Å; K485-T490 PolarHBondContact O-OG1 3.16Å; T486-T490 WeakPolarHBondContact CA-OG1 3.48Å; G487-T490 CarbonylContact C-O 3.58Å; G487-T490 WeakPolarHBondContact CA-O 3.33Å; G487-T490 PolarHBondContact N-O 3.38Å; T488-T490 PolarHBondContact N-O 3.36Å; T490-C677 HydrophobicContact CG2-CB 4.33Å; T490-P678 CarbonylContact C-O 3.54Å; T490-P678 VanDerWaalsContact CA-O 3.27Å; T490-P678 WeakPolarHBondContact CA-O 3.19Å; T490-P678 VanDerWaalsContact CB-O 3.29Å; T490-P678 WeakPolarHBondContact CB-O 3.26Å; T490-L679 HydrophobicContact CG2-CD2 3.9Å; T490-K680 VanDerWaalsContact O-CE 3.3Å; T490-K680 WeakPolarHBondContact O-CE 3.4Å
491E85Confident88.3Confident64 Ų6423.1 Ų23.130%0.29913%0.125SC..  trans-64.9158.8167.1-62.9-176.2175.300110.4I493 P678 K680E491-I493 HydrophobicContact CB-CB 4.5Å; E491-I493 PolarHBondContact O-N 3.49Å; E491-P678 HydrophobicContact CB-CG 4.21Å; E491-P678 HydrophobicContact CG-CG 4.46Å; E491-P678 PolarHBondContact N-O 2.96Å; E491-K680 HydrophobicContact CG-CG 3.82Å
492D76.6Confident87.6Confident72 Ų7224 Ų2439%0.38513%0.13SC..SBendtrans-84.68.3172.7-163.832.4000112.1
493I81.8Confident86.5Confident91 Ų9130.4 Ų30.447%0.46716%0.163SC..  trans-89.5133.6178.6-56.7175.4000108.9E491 V495 P678E491-I493 HydrophobicContact CB-CB 4.5Å; E491-I493 PolarHBondContact O-N 3.49Å; I493-V495 HydrophobicContact CG2-CG2 4.36Å; I493-P678 WeakPolarHBondContact O-CD 3.46Å
494V85.4Confident85.2Confident21 Ų2138.1 Ų38.113%0.12721%0.205CC..  trans-100.8120.9178.2-1750000109.3P542 M543 A546 I675V494-P542 HydrophobicContact CG2-CB 4.31Å; V494-M543 HydrophobicContact CG1-CB 4.15Å; V494-M543 HydrophobicContact CG1-CG 4.19Å; V494-A546 HydrophobicContact CB-CB 4.46Å; V494-A546 HydrophobicContact CG1-CB 4.46Å; V494-A546 WeakPolarHBondContact O-CB 3.32Å; V494-I675 HydrophobicContact CG1-CG2 3.11Å
495V88.8Confident84.2Confident65 Ų6540.2 Ų40.239%0.39421%0.214SC..EExtended strand (participates in β ladder)trans-112.1128178.9-177.90000109.5I493 E497 I675 S676I493-V495 HydrophobicContact CG2-CG2 4.36Å; V495-E497 PolarHBondContact O-N 2.89Å; V495-I675 WeakPolarHBondContact O-CA 3.4Å; V495-S676 PolarHBondContact N-O 3.34Å; V495-S676 PolarHBondContact O-N 2.95Å
496V92.2Very high83.3Confident23 Ų2344.1 Ų44.114%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-85108.7171.3-179.70000107.9V513 A546 M547 V673V496-V513 HydrophobicContact CG1-CG2 3.88Å; V496-A546 HydrophobicContact CG2-CB 4.03Å; V496-M547 HydrophobicContact CG2-CG 4.17Å; V496-V673 HydrophobicContact CG1-CG2 3.78Å
497E89.3Confident82.5Confident94 Ų9443.4 Ų43.444%0.43924%0.237SC..EExtended strand (participates in β ladder)trans-71.8-38.5179.1-57.1-167.4155.800110.8V495 L510 I674 S676V495-E497 PolarHBondContact O-N 2.89Å; E497-L510 HydrophobicContact CB-CD2 3.7Å; E497-I674 HydrophobicContact CB-CB 4.47Å; E497-I674 HydrophobicContact CB-CG2 4.19Å; E497-I674 HydrophobicContact CG-CG2 4.4Å; E497-I674 PolarHBondContact N-O 2.81Å; E497-I674 WeakPolarHBondContact OE2-CG2 3.43Å; E497-S676 VanDerWaalsContact CD-OG 3.28Å; E497-S676 VanDerWaalsContact CG-OG 3.25Å; E497-S676 WeakPolarHBondContact CG-OG 3.25Å; E497-S676 WeakPolarHBondContact OE1-CB 3.46Å; E497-S676 PolarHBondContact OE1-OG 3.43Å
498G91.5Very high82.1Confident1 Ų146.7 Ų46.71%0.0125%0.254CS..EExtended strand (participates in β ladder)trans158.7-161.9-179.900000113.2L511 I674G498-L511 CarbonylContact C-O 3.56Å; G498-L511 WeakPolarHBondContact CA-O 3.07Å; G498-I674 PolarHBondContact O-N 2.85Å
499V91.2Very high81.8Confident0 Ų051.7 Ų51.70%028%0.275CS..EExtended strand (participates in β ladder)trans-120.5141.2177.8-176.20000110L502 L511 V513 T520 L524 F672V499-L502 HydrophobicContact CG1-CD1 4.41Å; V499-L502 HydrophobicContact CG1-CG 4.42Å; V499-L511 PolarHBondContact N-O 3.26Å; V499-L511 PolarHBondContact O-N 3.32Å; V499-V513 HydrophobicContact CG2-CG2 4.28Å; V499-T520 HydrophobicContact CB-CG2 4.43Å; V499-T520 HydrophobicContact CG1-CG2 3.88Å; V499-T520 HydrophobicContact CG2-CG2 3.94Å; V499-L524 HydrophobicContact CG2-CD1 4.06Å; V499-F672 CarbonylContact C-O 3.46Å; V499-F672 WeakPolarHBondContact CA-O 3.47Å; V499-F672 WeakPolarHBondContact CG1-O 3.24Å
500T90Very high81.6Confident1 Ų155 Ų551%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-129.6175.6174-165.50000111.5S507 K509 M632 G671 F672 I674T500-S507 PolarHBondContact OG1-O 2.94Å; T500-K509 PolarHBondContact OG1-O 2.83Å; T500-M632 HydrophobicContact CG2-CE 4.03Å; T500-M632 HydrophobicContact CG2-CG 4Å; T500-G671 CarbonylContact O-C 3.53Å; T500-G671 WeakPolarHBondContact O-CA 3.39Å; T500-F672 HydrophobicContact CG2-CB 3.85Å; T500-F672 HydrophobicContact CG2-CD2 4.31Å; T500-F672 PolarHBondContact N-O 3.18Å; T500-F672 PolarHBondContact O-N 2.66Å; T500-I674 HydrophobicContact CG2-CD1 3.89Å; T500-I674 HydrophobicContact CG2-CG1 3.99Å
501G83.5Confident81.6Confident7 Ų755.8 Ų55.87%0.07230%0.297CS..  trans70.235.6176.100000113.3F669G501-F669 WeakPolarHBondContact O-CE1 3.36Å
502L81.4Confident81.7Confident20 Ų2058.5 Ų58.511%0.10531%0.309CS..  trans-87135.9172.8-66.8163.7000108.1V499 D504 Q505 L511 P517V499-L502 HydrophobicContact CG1-CD1 4.41Å; V499-L502 HydrophobicContact CG1-CG 4.42Å; L502-D504 PolarHBondContact O-N 3.04Å; L502-Q505 PolarHBondContact O-N 3.08Å; L502-L511 HydrophobicContact CD1-CD1 3.46Å; L502-L511 VanDerWaalsContact CD1-CD1 3.46Å; L502-P517 HydrophobicContact CD2-CG 3.75Å
503N70.7Confident82.1Confident134 Ų13455.3 Ų55.372%0.71729%0.293SS*.THydrogen-bonded Turntrans-48.7-27.6-172.8-68.2-4.5000115
504D68.9Low82.3Confident162 Ų16256.9 Ų56.987%0.86630%0.296SS*.THydrogen-bonded Turntrans-89.9-1.3-177.5-60.7-35000114.5L502L502-D504 PolarHBondContact O-N 3.04Å
505Q70.9Confident82.2Confident52 Ų5262.4 Ų62.424%0.24332%0.32CS..SBendtrans-133.1151.6-171.7-63.2-157.811.700113.1L502 K509 L511L502-Q505 PolarHBondContact O-N 3.08Å; Q505-K509 VanDerWaalsContact OE1-CD 3.24Å; Q505-L511 HydrophobicContact CG-CD1 4.49Å; Q505-L511 VanDerWaalsContact OE1-CD1 3.27Å; Q505-L511 VanDerWaalsContact OE1-CG 3.27Å
506P70.7Confident82.2Confident87 Ų8759.5 Ų59.557%0.56530%0.303SS*.  trans-62.2141.9174.625.3-33.4000111.1N508 K509P506-N508 PolarHBondContact O-N 3.17Å; P506-K509 HydrophobicContact CG-CB 3.98Å; P506-K509 PolarHBondContact O-N 3.02Å
507S68Low82Confident16 Ų1661.1 Ų61.111%0.11231%0.314CS..THydrogen-bonded Turntrans-46.8-26.1-179.554.20000116.1T500 D624T500-S507 PolarHBondContact OG1-O 2.94Å; S507-D624 WeakPolarHBondContact CB-OD2 3.3Å
508N71.7Confident81.9Confident71 Ų7158.9 Ų58.938%0.3831%0.305SS..THydrogen-bonded Turntrans-94.1-5.5-176.8-81.5-39.5000115.2P506 T631P506-N508 PolarHBondContact O-N 3.17Å; N508-T631 WeakPolarHBondContact OD1-CG2 3.32Å
509K82.1Confident81.8Confident105 Ų10560.4 Ų60.446%0.45732%0.315SS..PPolyproline II helixtrans-90.7117.6-176.1-175.9173.2172-166.90111.1T500 Q505 P506T500-K509 PolarHBondContact OG1-O 2.83Å; Q505-K509 VanDerWaalsContact OE1-CD 3.24Å; P506-K509 HydrophobicContact CG-CB 3.98Å; P506-K509 PolarHBondContact O-N 3.02Å
510L85.2Confident81.8Confident69 Ų6960.4 Ų60.436%0.36132%0.315SS..PPolyproline II helixtrans-86.1122.8176.1-169.571.8000110.4E497 I674E497-L510 HydrophobicContact CB-CD2 3.7Å; L510-I674 HydrophobicContact CD1-CB 3.98Å; L510-I674 HydrophobicContact CD1-CG1 3.85Å
511L88.2Confident81.8Confident17 Ų1760.4 Ų60.49%0.08932%0.315CS..BIsolated β-bridgetrans-101.1144.1171.9-74.4171.2000111G498 V499 L502 Q505G498-L511 CarbonylContact C-O 3.56Å; G498-L511 WeakPolarHBondContact CA-O 3.07Å; V499-L511 PolarHBondContact N-O 3.26Å; V499-L511 PolarHBondContact O-N 3.32Å; L502-L511 HydrophobicContact CD1-CD1 3.46Å; L502-L511 VanDerWaalsContact CD1-CD1 3.46Å; Q505-L511 HydrophobicContact CG-CD1 4.49Å; Q505-L511 VanDerWaalsContact OE1-CD1 3.27Å; Q505-L511 VanDerWaalsContact OE1-CG 3.27Å
512Q87.6Confident82.2Confident121 Ų12160.8 Ų60.857%0.56532%0.315SS*.PPolyproline II helixtrans-67.7140.6169.4-164.3174.438.500109.7K514 Q515 C516Q512-K514 PolarHBondContact O-N 3.27Å; Q512-Q515 PolarHBondContact O-N 3.17Å; Q512-C516 PolarHBondContact O-SG 2.94Å; Q512-C516 VanDerWaalsContact O-SG 3.4Å
513V85.8Confident82.7Confident5 Ų559.9 Ų59.93%0.0331%0.31CS..G310 helixtrans-51.9-34.9-176-179.70000113V496 V499 Q515 C516 L524 T551V496-V513 HydrophobicContact CG1-CG2 3.88Å; V499-V513 HydrophobicContact CG2-CG2 4.28Å; V513-Q515 VanDerWaalsContact C-N 3.25Å; V513-Q515 PolarHBondContact O-N 3.23Å; V513-C516 WeakPolarHBondContact O-CB 3.47Å; V513-C516 PolarHBondContact O-N 3.3Å; V513-L524 HydrophobicContact CG1-CD1 3.72Å; V513-L524 HydrophobicContact CG2-CD1 4.34Å; V513-T551 HydrophobicContact CG1-CG2 3.71Å
514K84.4Confident83.8Confident124 Ų12453.7 Ų53.754%0.53928%0.277SS..G310 helixtrans-68.1-18178.6-65.1-177.9179.7177.40114.9Q512Q512-K514 PolarHBondContact O-N 3.27Å
515Q85Confident84.8Confident136 Ų13646 Ų4664%0.63624%0.236SC*.G310 helixtrans-101.31180-62.9178.2-12.500112.5Q512 V513Q512-Q515 PolarHBondContact O-N 3.17Å; V513-Q515 VanDerWaalsContact C-N 3.25Å; V513-Q515 PolarHBondContact O-N 3.23Å
516C87.1Confident85.7Confident4 Ų443.5 Ų43.53%0.02722%0.224CC..SBendtrans-77.7160.3-178.2-660000111.5Q512 V513 T520 I521Q512-C516 PolarHBondContact O-SG 2.94Å; Q512-C516 VanDerWaalsContact O-SG 3.4Å; V513-C516 WeakPolarHBondContact O-CB 3.47Å; V513-C516 PolarHBondContact O-N 3.3Å; C516-T520 HydrophobicContact CB-CG2 4.04Å; C516-I521 HydrophobicContact CB-CG1 4.25Å; C516-I521 WeakPolarHBondContact O-CD1 3.35Å
517P88.1Confident86.7Confident57 Ų5739.4 Ų39.437%0.3720%0.198SC..  trans-63.4160.6174.926.8-33.7000111.7L502 S519 T520 I521L502-P517 HydrophobicContact CD2-CG 3.75Å; P517-S519 VanDerWaalsContact C-N 3.28Å; P517-S519 PolarHBondContact O-N 3.37Å; P517-T520 WeakPolarHBondContact CG-OG1 3.49Å; P517-T520 PolarHBondContact O-N 3.18Å; P517-I521 PolarHBondContact O-N 3.38Å
518L87.7Confident87.7Confident48 Ų4838.7 Ų38.725%0.25119%0.193SC..Hα-helixtrans-59.3-39.9-174.6-17659.3000112.5T520 I521 Q522 P567L518-T520 PolarHBondContact O-N 2.85Å; L518-I521 PolarHBondContact O-N 3.26Å; L518-Q522 HydrophobicContact CD1-CG 4.02Å; L518-Q522 HydrophobicContact CG-CG 4.07Å; L518-Q522 WeakPolarHBondContact O-CB 3.17Å; L518-Q522 VanDerWaalsContact O-CG 3.24Å; L518-Q522 WeakPolarHBondContact O-CG 3.33Å; L518-Q522 PolarHBondContact O-N 2.97Å; L518-P567 HydrophobicContact CB-CG 3.82Å; L518-P567 HydrophobicContact CD1-CG 4.41Å; L518-P567 HydrophobicContact CG-CG 4.5Å
519S89.2Confident88.3Confident33 Ų3336.7 Ų36.723%0.23118%0.184CC..Hα-helixtrans-53.3-51.8177.246.80000112P517 I521 Q522 V523P517-S519 VanDerWaalsContact C-N 3.28Å; P517-S519 PolarHBondContact O-N 3.37Å; S519-I521 PolarHBondContact O-N 3.25Å; S519-Q522 PolarHBondContact O-N 3.37Å; S519-V523 WeakPolarHBondContact O-CG2 3.44Å; S519-V523 PolarHBondContact O-N 3.12Å
520T91.4Very high88.5Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-60.4-45.3177.3-53.40000112.1V499 C516 P517 L518 V523 L524 L642 C670V499-T520 HydrophobicContact CB-CG2 4.43Å; V499-T520 HydrophobicContact CG1-CG2 3.88Å; V499-T520 HydrophobicContact CG2-CG2 3.94Å; C516-T520 HydrophobicContact CB-CG2 4.04Å; P517-T520 WeakPolarHBondContact CG-OG1 3.49Å; P517-T520 PolarHBondContact O-N 3.18Å; L518-T520 PolarHBondContact O-N 2.85Å; T520-V523 PolarHBondContact O-N 3.48Å; T520-L524 HydrophobicContact CG2-CD1 4.18Å; T520-L524 WeakPolarHBondContact O-CG 3.47Å; T520-L524 PolarHBondContact O-N 3.26Å; T520-L642 HydrophobicContact CG2-CD1 3.8Å; T520-C670 PolarHBondContact OG1-O 2.93Å
521I91.3Very high88.3Confident0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-64.9-41.9179.7-63.3167.7000110.6C516 P517 L518 S519 L524 A525 T551 W553 T565C516-I521 HydrophobicContact CB-CG1 4.25Å; C516-I521 WeakPolarHBondContact O-CD1 3.35Å; P517-I521 PolarHBondContact O-N 3.38Å; L518-I521 PolarHBondContact O-N 3.26Å; S519-I521 PolarHBondContact O-N 3.25Å; I521-L524 PolarHBondContact O-N 3.41Å; I521-A525 WeakPolarHBondContact O-CB 3.45Å; I521-A525 PolarHBondContact O-N 2.59Å; I521-T551 HydrophobicContact CG2-CG2 4.44Å; I521-W553 HydrophobicContact CG2-CZ2 4.44Å; I521-T565 HydrophobicContact CG2-CG2 4.23Å
522Q91.2Very high87.9Confident16 Ų1631.5 Ų31.58%0.07516%0.162CC..Hα-helixtrans-60.1-47.4176.2-72.7176.7-22.400111L518 S519 L524 A525 S526 S569 L572L518-Q522 HydrophobicContact CD1-CG 4.02Å; L518-Q522 HydrophobicContact CG-CG 4.07Å; L518-Q522 WeakPolarHBondContact O-CB 3.17Å; L518-Q522 VanDerWaalsContact O-CG 3.24Å; L518-Q522 WeakPolarHBondContact O-CG 3.33Å; L518-Q522 PolarHBondContact O-N 2.97Å; S519-Q522 PolarHBondContact O-N 3.37Å; Q522-L524 PolarHBondContact O-N 2.99Å; Q522-A525 PolarHBondContact O-N 2.95Å; Q522-S526 PolarHBondContact O-N 3.19Å; Q522-S526 PolarHBondContact O-OG 3.49Å; Q522-S569 PolarHBondContact NE2-OG 3.29Å; Q522-L572 HydrophobicContact CB-CD1 4.13Å; Q522-L572 HydrophobicContact CG-CD1 4.12Å
523V92.5Very high87Confident0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-60.9-46.8178177.50000111.3S519 T520 A525 C527 C606 V607 L642 G643 Q644S519-V523 WeakPolarHBondContact O-CG2 3.44Å; S519-V523 PolarHBondContact O-N 3.12Å; T520-V523 PolarHBondContact O-N 3.48Å; V523-A525 PolarHBondContact O-N 3.17Å; V523-C527 HydrophobicContact CG1-CB 4.13Å; V523-C527 WeakPolarHBondContact O-CA 3.25Å; V523-C527 WeakPolarHBondContact O-CB 3.33Å; V523-C527 PolarHBondContact O-N 3.12Å; V523-C606 HydrophobicContact CB-CB 4.29Å; V523-C606 HydrophobicContact CG1-CB 4.2Å; V523-C606 HydrophobicContact CG2-CB 4.03Å; V523-V607 WeakPolarHBondContact CG1-O 3.44Å; V523-L642 HydrophobicContact CG1-CB 4.06Å; V523-L642 HydrophobicContact CG1-CD2 3.98Å; V523-G643 WeakPolarHBondContact CG2-O 3.49Å; V523-Q644 HydrophobicContact CG2-CB 3.98Å
524L92.1Very high85.8Confident4 Ų432 Ų322%0.02118%0.178CC..Hα-helixtrans-65.9-36.4178.7-72.8173.7000113V499 V513 T520 I521 Q522 M547 T551 L642 V673V499-L524 HydrophobicContact CG2-CD1 4.06Å; V513-L524 HydrophobicContact CG1-CD1 3.72Å; V513-L524 HydrophobicContact CG2-CD1 4.34Å; T520-L524 HydrophobicContact CG2-CD1 4.18Å; T520-L524 WeakPolarHBondContact O-CG 3.47Å; T520-L524 PolarHBondContact O-N 3.26Å; I521-L524 PolarHBondContact O-N 3.41Å; Q522-L524 PolarHBondContact O-N 2.99Å; L524-M547 HydrophobicContact CD2-CB 4.38Å; L524-M547 HydrophobicContact CD2-CG 4.18Å; L524-M547 HydrophobicContact CD2-SD 4.32Å; L524-T551 HydrophobicContact CB-CG2 3.59Å; L524-T551 HydrophobicContact CD1-CG2 4.46Å; L524-L642 HydrophobicContact CD1-CD1 4.27Å; L524-L642 HydrophobicContact CD2-CD1 3.88Å; L524-L642 HydrophobicContact CD2-CD2 3.95Å; L524-L642 HydrophobicContact CG-CD1 3.85Å; L524-V673 HydrophobicContact CD2-CB 4.09Å; L524-V673 HydrophobicContact CD2-CG1 4.2Å; L524-V673 HydrophobicContact CD2-CG2 4.1Å
525A90.9Very high84.8Confident0 Ų030.7 Ų30.70%019%0.19CC..Hα-helixtrans-76.3-31.1-178.600000112.5I521 Q522 V523 H528 L548 T551 W553 V561I521-A525 WeakPolarHBondContact O-CB 3.45Å; I521-A525 PolarHBondContact O-N 2.59Å; Q522-A525 PolarHBondContact O-N 2.95Å; V523-A525 PolarHBondContact O-N 3.17Å; A525-H528 PolarHBondContact O-CD2 3.29Å; A525-H528 PolarHBondContact O-NE2 2.91Å; A525-H528 VanDerWaalsContact O-NE2 3.08Å; A525-L548 HydrophobicContact CB-CD1 4.45Å; A525-L548 WeakPolarHBondContact O-CD1 3.32Å; A525-T551 HydrophobicContact CB-CG2 4.41Å; A525-W553 HydrophobicContact CB-CB 4.14Å; A525-W553 HydrophobicContact CB-CD2 3.78Å; A525-W553 HydrophobicContact CB-CE3 3.84Å; A525-W553 HydrophobicContact CB-CG 3.94Å; A525-W553 HydrophobicContact CB-CZ3 4.49Å; A525-V561 HydrophobicContact CB-CG1 4.34Å; A525-V561 WeakPolarHBondContact O-CG1 3.48Å
526S90.1Very high83.8Confident0 Ų027.3 Ų27.30%018%0.181CC..Hα-helixtrans-111.9-23.5-174.770.60000116.1Q522 H528 C606Q522-S526 PolarHBondContact O-N 3.19Å; Q522-S526 PolarHBondContact O-OG 3.49Å; S526-H528 PolarHBondContact O-N 3.44Å; S526-C606 PolarHBondContact OG-SG 2.98Å
527C91.4Very high83.4Confident1 Ų128.7 Ų28.71%0.00720%0.196CC..SBendtrans-80.371.1179.8-161.30000110.3V523 C606 K608V523-C527 HydrophobicContact CG1-CB 4.13Å; V523-C527 WeakPolarHBondContact O-CA 3.25Å; V523-C527 WeakPolarHBondContact O-CB 3.33Å; V523-C527 PolarHBondContact O-N 3.12Å; C527-C606 HydrophobicContact CB-CB 3.98Å; C527-C606 PolarHBondContact SG-O 3.11Å; C527-K608 HydrophobicContact CB-CD 4.34Å; C527-K608 WeakPolarHBondContact O-CD 3.26Å; C527-K608 WeakPolarHBondContact O-CE 3.18Å; C527-K608 PolarHBondContact O-NZ 3.41Å
528H89.9Confident83.1Confident2 Ų228.7 Ų28.71%0.00919%0.192CC..  trans-147.3156178.766.255.4000111.8A525 S526 L530 E544A525-H528 PolarHBondContact O-CD2 3.29Å; A525-H528 PolarHBondContact O-NE2 2.91Å; A525-H528 VanDerWaalsContact O-NE2 3.08Å; S526-H528 PolarHBondContact O-N 3.44Å; H528-L530 HydrophobicContact CB-CD1 4.08Å; H528-L530 HydrophobicContact CB-CG 3.94Å; H528-L530 WeakPolarHBondContact ND1-CB 3.23Å; H528-L530 PolarHBondContact ND1-N 3.31Å; H528-E544 WeakPolarHBondContact CA-OE1 3.31Å; H528-E544 HydrophobicContact CB-CB 4.11Å; H528-E544 HydrophobicContact CB-CG 4.36Å
529S84.2Confident82.6Confident29 Ų2927.2 Ų27.220%0.20319%0.185CC..  trans-94.15173.4-56.90000112.9E544 M587S529-E544 PolarHBondContact N-OE1 3.11Å; S529-E544 PolarHBondContact N-OE2 3.04Å; S529-M587 VanDerWaalsContact OG-CE 3.29Å; S529-M587 WeakPolarHBondContact OG-CE 3.36Å
530L85Confident82.1Confident0 Ų026.1 Ų26.10%018%0.178CC..  trans-55.2147.9179.9-54.5170000113H528 L538 I539 E544 K545 L548 L555 R577H528-L530 HydrophobicContact CB-CD1 4.08Å; H528-L530 HydrophobicContact CB-CG 3.94Å; H528-L530 WeakPolarHBondContact ND1-CB 3.23Å; H528-L530 PolarHBondContact ND1-N 3.31Å; L530-L538 HydrophobicContact CB-CD1 3.85Å; L530-L538 HydrophobicContact CD1-CD1 4.19Å; L530-L538 HydrophobicContact CD1-CD2 4.13Å; L530-L538 HydrophobicContact CD1-CG 4.38Å; L530-L538 HydrophobicContact CG-CD1 4.49Å; L530-I539 WeakPolarHBondContact CA-O 3.32Å; L530-E544 HydrophobicContact CD1-CB 4.11Å; L530-E544 HydrophobicContact CD2-CB 3.8Å; L530-E544 HydrophobicContact CG-CB 3.89Å; L530-K545 HydrophobicContact CD2-CG 3.63Å; L530-L548 HydrophobicContact CD1-CB 3.94Å; L530-L548 HydrophobicContact CD1-CD2 3.71Å; L530-L548 HydrophobicContact CD1-CG 4.46Å; L530-L555 HydrophobicContact CB-CD2 4.08Å; L530-L555 VanDerWaalsContact O-CD2 3.3Å; L530-L555 WeakPolarHBondContact O-CD2 3.49Å; L530-R577 PolarHBondContact O-NH1 2.95Å; L530-R577 PolarHBondContact O-NH2 3.35Å
531I81.1Confident81.6Confident38 Ų3828.2 Ų28.220%0.19519%0.19CC..EExtended strand (participates in β ladder)trans-131.2131.5177.6-60.8172.6000106.5I297 I539I297-I531 HydrophobicContact CD1-CD1 3.38Å; I297-I531 HydrophobicContact CD1-CG2 4.45Å; I297-I531 HydrophobicContact CG1-CD1 4.19Å; I531-I539 PolarHBondContact N-O 2.94Å; I531-I539 PolarHBondContact O-N 2.97Å
532N80.9Confident80.9Confident44 Ų4430 Ų3024%0.23520%0.201CC..EExtended strand (participates in β ladder)trans-101.9133.6172.6-167.220.6000109G537 L538 L555N532-G537 VanDerWaalsContact OD1-C 3.27Å; N532-G537 PolarHBondContact OD1-O 3.24Å; N532-L538 HydrophobicContact CB-CD1 4.37Å; N532-L538 PolarHBondContact OD1-N 2.76Å; N532-L555 HydrophobicContact CB-CB 4.32Å; N532-L555 HydrophobicContact CB-CD2 4.15Å; N532-L555 HydrophobicContact CB-CG 4.13Å; N532-L555 WeakPolarHBondContact CB-O 3.3Å; N532-L555 PolarHBondContact ND2-O 3.33Å
533T67.1Low80.6Confident27 Ų2730.9 Ų30.917%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-129.7134.6178.2-58.60000108.8Q343 A535 S536 G537Q343-T533 PolarHBondContact OE1-OG1 2.82Å; T533-A535 PolarHBondContact O-N 3.01Å; T533-A535 VanDerWaalsContact O-N 3.09Å; T533-S536 PolarHBondContact O-N 3.34Å; T533-G537 PolarHBondContact N-O 3.12Å; T533-G537 PolarHBondContact O-N 2.98Å
534S62.4Low80.4Confident110 Ų11031.2 Ų31.277%0.76921%0.207SC*.THydrogen-bonded Turntrans-55.1-28.7-178.858.50000115.1
535A61.4Low80.2Confident96 Ų9634.4 Ų34.479%0.79322%0.221SC*.THydrogen-bonded Turntrans-91.1-33.2-177.100000115T533T533-A535 PolarHBondContact O-N 3.01Å; T533-A535 VanDerWaalsContact O-N 3.09Å
536S64.4Low80.1Confident64 Ų6435.3 Ų35.345%0.44823%0.229SC..THydrogen-bonded Turntrans-122.31.9-167.745.90000114T533 I539T533-S536 PolarHBondContact O-N 3.34Å; S536-I539 WeakPolarHBondContact OG-CD1 3.49Å
537G78.8Confident80.1Confident33 Ų3335.5 Ų35.534%0.3423%0.229SC..EExtended strand (participates in β ladder)trans72.9-159.817900000113.2N532 T533 I539N532-G537 VanDerWaalsContact OD1-C 3.27Å; N532-G537 PolarHBondContact OD1-O 3.24Å; T533-G537 PolarHBondContact N-O 3.12Å; T533-G537 PolarHBondContact O-N 2.98Å; G537-I539 PolarHBondContact O-N 3.13Å
538L82.2Confident80.1Confident57 Ų5735.6 Ų35.630%0.29823%0.23SC..EExtended strand (participates in β ladder)trans-72117.6179.6-173.667.8000110.2L530 N532 K545 L548 L555L530-L538 HydrophobicContact CB-CD1 3.85Å; L530-L538 HydrophobicContact CD1-CD1 4.19Å; L530-L538 HydrophobicContact CD1-CD2 4.13Å; L530-L538 HydrophobicContact CD1-CG 4.38Å; L530-L538 HydrophobicContact CG-CD1 4.49Å; N532-L538 HydrophobicContact CB-CD1 4.37Å; N532-L538 PolarHBondContact OD1-N 2.76Å; L538-K545 HydrophobicContact CD2-CG 4.06Å; L538-K545 HydrophobicContact CG-CG 4.34Å; L538-K545 WeakPolarHBondContact O-CE 3.45Å; L538-K545 PolarHBondContact O-NZ 3.29Å; L538-L548 HydrophobicContact CD1-CD2 4.3Å; L538-L548 HydrophobicContact CD2-CD2 3.95Å; L538-L555 HydrophobicContact CD1-CB 4.23Å; L538-L555 HydrophobicContact CD1-CD2 4Å
539I78Confident80.1Confident18 Ų1839 Ų399%0.09226%0.259CS..EExtended strand (participates in β ladder)trans-113.8138.3-177-67.4166.9000110.1P309 V342 L530 I531 S536 G537P309-I539 HydrophobicContact CB-CG2 4.15Å; P309-I539 HydrophobicContact CG-CG2 3.15Å; V342-I539 HydrophobicContact CG1-CD1 3.9Å; L530-I539 WeakPolarHBondContact CA-O 3.32Å; I531-I539 PolarHBondContact N-O 2.94Å; I531-I539 PolarHBondContact O-N 2.97Å; S536-I539 WeakPolarHBondContact OG-CD1 3.49Å; G537-I539 PolarHBondContact O-N 3.13Å
540G77.9Confident80.3Confident9 Ų939.1 Ų39.19%0.09326%0.259CS..SBendtrans140.4-164.3177.800000112.3K545G540-K545 WeakPolarHBondContact O-CE 3.31Å; G540-K545 PolarHBondContact O-NZ 3.3Å
541D80.1Confident80.5Confident44 Ų4439.2 Ų39.224%0.23526%0.26CS..  trans-62.9126.9-172.3178.9-3.8000111.7V308 M543 E544 K545V308-D541 VanDerWaalsContact CG1-CA 3.43Å; V308-D541 HydrophobicContact CG1-CB 3.83Å; V308-D541 HydrophobicContact CG2-CB 4.36Å; D541-M543 PolarHBondContact O-N 2.82Å; D541-M543 WeakPolarHBondContact OD1-CB 3.43Å; D541-M543 PolarHBondContact OD1-N 2.9Å; D541-E544 HydrophobicContact CB-CB 4.16Å; D541-E544 HydrophobicContact CB-CG 3.83Å; D541-E544 CarbonylContact O-C 3.58Å; D541-E544 WeakPolarHBondContact O-CB 3.26Å; D541-E544 PolarHBondContact O-N 3.08Å; D541-K545 WeakPolarHBondContact O-CG 3.4Å; D541-K545 PolarHBondContact O-N 3.01Å
542P78Confident80.7Confident37 Ų3739.4 Ų39.424%0.2427%0.272CS..Hα-helixtrans-48.7-37.3172.3-2934.6000113.7V308 V494 K545 A546V308-P542 HydrophobicContact CG2-CG 4.21Å; V494-P542 HydrophobicContact CG2-CB 4.31Å; P542-K545 PolarHBondContact O-N 2.8Å; P542-A546 VanDerWaalsContact O-CB 3.25Å; P542-A546 WeakPolarHBondContact O-CB 3.29Å; P542-A546 PolarHBondContact O-N 3.4Å
543M84.5Confident81.1Confident35 Ų3537.7 Ų37.717%0.17226%0.262CS..Hα-helixtrans-64-44.6176.8-177.5178.36400111.1V494 D541 A546 M547 L640 I675V494-M543 HydrophobicContact CG1-CB 4.15Å; V494-M543 HydrophobicContact CG1-CG 4.19Å; D541-M543 PolarHBondContact O-N 2.82Å; D541-M543 WeakPolarHBondContact OD1-CB 3.43Å; D541-M543 PolarHBondContact OD1-N 2.9Å; M543-A546 PolarHBondContact O-N 2.93Å; M543-M547 HydrophobicContact CE-CE 4.41Å; M543-M547 HydrophobicContact CG-CE 3.57Å; M543-M547 VanDerWaalsContact O-CG 3.27Å; M543-M547 WeakPolarHBondContact O-CG 3.37Å; M543-M547 PolarHBondContact O-N 3.17Å; M543-M547 HydrophobicContact SD-CE 4Å; M543-L640 HydrophobicContact CE-CD1 4.1Å; M543-L640 HydrophobicContact SD-CD1 3.93Å; M543-I675 HydrophobicContact CG-CD1 3.77Å; M543-I675 HydrophobicContact SD-CD1 3.65Å
544E88.6Confident82.2Confident8 Ų839.2 Ų39.24%0.03727%0.273CS..Hα-helixtrans-70-38.3176.8-61-167143.400112.1H528 S529 L530 D541 A546 M547 L548 K608H528-E544 WeakPolarHBondContact CA-OE1 3.31Å; H528-E544 HydrophobicContact CB-CB 4.11Å; H528-E544 HydrophobicContact CB-CG 4.36Å; S529-E544 PolarHBondContact N-OE1 3.11Å; S529-E544 PolarHBondContact N-OE2 3.04Å; L530-E544 HydrophobicContact CD1-CB 4.11Å; L530-E544 HydrophobicContact CD2-CB 3.8Å; L530-E544 HydrophobicContact CG-CB 3.89Å; D541-E544 HydrophobicContact CB-CB 4.16Å; D541-E544 HydrophobicContact CB-CG 3.83Å; D541-E544 CarbonylContact O-C 3.58Å; D541-E544 WeakPolarHBondContact O-CB 3.26Å; D541-E544 PolarHBondContact O-N 3.08Å; E544-A546 VanDerWaalsContact C-N 3.31Å; E544-A546 PolarHBondContact O-N 2.84Å; E544-M547 WeakPolarHBondContact O-CB 3.44Å; E544-M547 PolarHBondContact O-N 3.46Å; E544-L548 WeakPolarHBondContact O-CB 3.45Å; E544-L548 PolarHBondContact O-N 3.37Å; E544-K608 IonicContact OE1-NZ 3.64Å; E544-K608 PolarHBondContact OE1-NZ 2.73Å
545K87.4Confident83.4Confident70 Ų7034.1 Ų34.130%0.30424%0.238SC..Hα-helixtrans-60-44.5173.2-71.1177.1176.4179.20110.7L530 L538 G540 D541 P542 L548 A549L530-K545 HydrophobicContact CD2-CG 3.63Å; L538-K545 HydrophobicContact CD2-CG 4.06Å; L538-K545 HydrophobicContact CG-CG 4.34Å; L538-K545 WeakPolarHBondContact O-CE 3.45Å; L538-K545 PolarHBondContact O-NZ 3.29Å; G540-K545 WeakPolarHBondContact O-CE 3.31Å; G540-K545 PolarHBondContact O-NZ 3.3Å; D541-K545 WeakPolarHBondContact O-CG 3.4Å; D541-K545 PolarHBondContact O-N 3.01Å; P542-K545 PolarHBondContact O-N 2.8Å; K545-L548 PolarHBondContact O-N 3.37Å; K545-A549 WeakPolarHBondContact O-CB 3.43Å; K545-A549 PolarHBondContact O-N 2.99Å
546A88.8Confident84.6Confident20 Ų2032.6 Ų32.617%0.16522%0.216CC..Hα-helixtrans-64.2-41.4177.300000111.3V494 V496 P542 M543 E544 S550V494-A546 HydrophobicContact CB-CB 4.46Å; V494-A546 HydrophobicContact CG1-CB 4.46Å; V494-A546 WeakPolarHBondContact O-CB 3.32Å; V496-A546 HydrophobicContact CG2-CB 4.03Å; P542-A546 VanDerWaalsContact O-CB 3.25Å; P542-A546 WeakPolarHBondContact O-CB 3.29Å; P542-A546 PolarHBondContact O-N 3.4Å; M543-A546 PolarHBondContact O-N 2.93Å; E544-A546 VanDerWaalsContact C-N 3.31Å; E544-A546 PolarHBondContact O-N 2.84Å; A546-S550 VanDerWaalsContact O-CB 3.25Å; A546-S550 WeakPolarHBondContact O-CB 3.41Å; A546-S550 PolarHBondContact O-N 3.13Å; A546-S550 PolarHBondContact O-OG 3.17Å
547M90.6Very high85.3Confident3 Ų334 Ų342%0.01522%0.219CC..Hα-helixtrans-59.8-53.8172.5-70.5168.9-171.700111.7V496 L524 M543 E544 A549 S550 T551 K608 L640 V673 I675V496-M547 HydrophobicContact CG2-CG 4.17Å; L524-M547 HydrophobicContact CD2-CB 4.38Å; L524-M547 HydrophobicContact CD2-CG 4.18Å; L524-M547 HydrophobicContact CD2-SD 4.32Å; M543-M547 HydrophobicContact CE-CE 4.41Å; M543-M547 HydrophobicContact CG-CE 3.57Å; M543-M547 VanDerWaalsContact O-CG 3.27Å; M543-M547 WeakPolarHBondContact O-CG 3.37Å; M543-M547 PolarHBondContact O-N 3.17Å; M543-M547 HydrophobicContact SD-CE 4Å; E544-M547 WeakPolarHBondContact O-CB 3.44Å; E544-M547 PolarHBondContact O-N 3.46Å; M547-A549 VanDerWaalsContact C-N 3.34Å; M547-A549 PolarHBondContact O-N 3.2Å; M547-S550 PolarHBondContact O-N 3.43Å; M547-S550 VanDerWaalsContact O-N 3.15Å; M547-S550 PolarHBondContact O-OG 3.09Å; M547-T551 WeakPolarHBondContact O-CG2 3.44Å; M547-T551 PolarHBondContact O-N 3Å; M547-K608 HydrophobicContact SD-CD 4.39Å; M547-L640 HydrophobicContact CE-CD1 3.49Å; M547-L640 VanDerWaalsContact CE-CD1 3.49Å; M547-V673 HydrophobicContact CE-CG1 4.12Å; M547-I675 HydrophobicContact CE-CD1 3.26Å; M547-I675 HydrophobicContact CE-CG1 4.29Å
548L91.1Very high85.3Confident4 Ų439.1 Ų39.12%0.02123%0.234CC..Hα-helixtrans-60.6-44.9-179.8-176.364.2000111A525 L530 L538 E544 K545 S550 T551 G552 W553 L555 V561A525-L548 HydrophobicContact CB-CD1 4.45Å; A525-L548 WeakPolarHBondContact O-CD1 3.32Å; L530-L548 HydrophobicContact CD1-CB 3.94Å; L530-L548 HydrophobicContact CD1-CD2 3.71Å; L530-L548 HydrophobicContact CD1-CG 4.46Å; L538-L548 HydrophobicContact CD1-CD2 4.3Å; L538-L548 HydrophobicContact CD2-CD2 3.95Å; E544-L548 WeakPolarHBondContact O-CB 3.45Å; E544-L548 PolarHBondContact O-N 3.37Å; K545-L548 PolarHBondContact O-N 3.37Å; L548-S550 VanDerWaalsContact C-N 3.32Å; L548-S550 PolarHBondContact O-N 3.39Å; L548-T551 PolarHBondContact O-N 3.3Å; L548-T551 PolarHBondContact O-OG1 3.41Å; L548-G552 PolarHBondContact O-N 3.28Å; L548-W553 HydrophobicContact CD1-CB 3.93Å; L548-L555 HydrophobicContact CD2-CB 4.22Å; L548-V561 HydrophobicContact CD1-CG1 3.9Å
549A89.9Confident85.4Confident74 Ų7439.1 Ų39.161%0.61223%0.234SC*.Hα-helixtrans-61-39.1176.500000112.5K545 M547 T551 G552K545-A549 WeakPolarHBondContact O-CB 3.43Å; K545-A549 PolarHBondContact O-N 2.99Å; M547-A549 VanDerWaalsContact C-N 3.34Å; M547-A549 PolarHBondContact O-N 3.2Å; A549-T551 VanDerWaalsContact C-N 3.29Å; A549-T551 PolarHBondContact O-N 2.94Å; A549-G552 PolarHBondContact O-N 2.9Å; A549-G552 VanDerWaalsContact O-N 3.11Å
550S88.6Confident85.9Confident30 Ų3040.8 Ų40.821%0.2124%0.242CC..Hα-helixtrans-65.5-30.5178.775.40000113.1A546 M547 L548 G552A546-S550 VanDerWaalsContact O-CB 3.25Å; A546-S550 WeakPolarHBondContact O-CB 3.41Å; A546-S550 PolarHBondContact O-N 3.13Å; A546-S550 PolarHBondContact O-OG 3.17Å; M547-S550 PolarHBondContact O-N 3.43Å; M547-S550 VanDerWaalsContact O-N 3.15Å; M547-S550 PolarHBondContact O-OG 3.09Å; L548-S550 VanDerWaalsContact C-N 3.32Å; L548-S550 PolarHBondContact O-N 3.39Å; S550-G552 VanDerWaalsContact C-N 3.32Å
551T87.9Confident86.4Confident2 Ų240.4 Ų40.41%0.01224%0.237CC..Hα-helixtrans-73.9-23.3174.568.50000112.7V513 I521 L524 A525 M547 L548 A549 W553 T565V513-T551 HydrophobicContact CG1-CG2 3.71Å; I521-T551 HydrophobicContact CG2-CG2 4.44Å; L524-T551 HydrophobicContact CB-CG2 3.59Å; L524-T551 HydrophobicContact CD1-CG2 4.46Å; A525-T551 HydrophobicContact CB-CG2 4.41Å; M547-T551 WeakPolarHBondContact O-CG2 3.44Å; M547-T551 PolarHBondContact O-N 3Å; L548-T551 PolarHBondContact O-N 3.3Å; L548-T551 PolarHBondContact O-OG1 3.41Å; A549-T551 VanDerWaalsContact C-N 3.29Å; A549-T551 PolarHBondContact O-N 2.94Å; T551-W553 VanDerWaalsContact C-N 3.29Å; T551-W553 WeakPolarHBondContact OG1-CB 3.3Å; T551-W553 PolarHBondContact OG1-N 3.4Å; T551-T565 WeakPolarHBondContact O-CG2 3.46Å
552G86.6Confident86.8Confident43 Ų4343.1 Ų43.144%0.44325%0.245SC..THydrogen-bonded Turntrans73.817.3-171.600000114.1L548 A549 S550L548-G552 PolarHBondContact O-N 3.28Å; A549-G552 PolarHBondContact O-N 2.9Å; A549-G552 VanDerWaalsContact O-N 3.11Å; S550-G552 VanDerWaalsContact C-N 3.32Å
553W89.9Confident87.1Confident7 Ų742.5 Ų42.53%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-92.8162.8172.8-72.247.7000110.7I521 A525 L548 T551 V561 Y562 T565 L572I521-W553 HydrophobicContact CG2-CZ2 4.44Å; A525-W553 HydrophobicContact CB-CB 4.14Å; A525-W553 HydrophobicContact CB-CD2 3.78Å; A525-W553 HydrophobicContact CB-CE3 3.84Å; A525-W553 HydrophobicContact CB-CG 3.94Å; A525-W553 HydrophobicContact CB-CZ3 4.49Å; L548-W553 HydrophobicContact CD1-CB 3.93Å; T551-W553 VanDerWaalsContact C-N 3.29Å; T551-W553 WeakPolarHBondContact OG1-CB 3.3Å; T551-W553 PolarHBondContact OG1-N 3.4Å; W553-V561 HydrophobicContact CB-CG1 4.04Å; W553-V561 HydrophobicContact CE3-CB 4.11Å; W553-V561 HydrophobicContact CE3-CG1 3.74Å; W553-Y562 CarbonylContact C-O 3.46Å; W553-Y562 WeakPolarHBondContact CA-O 3.34Å; W553-T565 PolarHBondContact NE1-OG1 3.09Å; W553-L572 HydrophobicContact CH2-CD1 4.3Å; W553-L572 HydrophobicContact CH2-CG 4.32Å; W553-L572 HydrophobicContact CZ3-CD1 3.98Å; W553-L572 HydrophobicContact CZ3-CG 3.96Å
554S88.6Confident86.8Confident59 Ų5952.8 Ų52.841%0.41328%0.282SS..EExtended strand (participates in β ladder)trans-135.1149.2179-63.70000110.4V561 Y562S554-V561 WeakPolarHBondContact O-CA 3.47Å; S554-V561 WeakPolarHBondContact O-CG1 3.36Å; S554-Y562 PolarHBondContact N-O 3.08Å; S554-Y562 VanDerWaalsContact O-CD1 3.27Å; S554-Y562 WeakPolarHBondContact O-CD1 3.22Å; S554-Y562 WeakPolarHBondContact O-CE1 3.48Å; S554-Y562 PolarHBondContact O-N 3.27Å
555L88.8Confident86.1Confident4 Ų453 Ų532%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-101.6131.3180178.869000109.4L530 N532 L538 L548 V561 I574L530-L555 HydrophobicContact CB-CD2 4.08Å; L530-L555 VanDerWaalsContact O-CD2 3.3Å; L530-L555 WeakPolarHBondContact O-CD2 3.49Å; N532-L555 HydrophobicContact CB-CB 4.32Å; N532-L555 HydrophobicContact CB-CD2 4.15Å; N532-L555 HydrophobicContact CB-CG 4.13Å; N532-L555 WeakPolarHBondContact CB-O 3.3Å; N532-L555 PolarHBondContact ND2-O 3.33Å; L538-L555 HydrophobicContact CD1-CB 4.23Å; L538-L555 HydrophobicContact CD1-CD2 4Å; L548-L555 HydrophobicContact CD2-CB 4.22Å; L555-V561 HydrophobicContact CD1-CG2 3.91Å; L555-I574 HydrophobicContact CD1-CD1 4.22Å
556N86.2Confident85.3Confident64 Ų6457 Ų5734%0.34231%0.307SS..  trans-91.4163.1170.6-83.6-16000112.2Q558 N559 E560 Y562N556-Q558 PolarHBondContact O-N 2.6Å; N556-N559 PolarHBondContact O-N 3.42Å; N556-E560 PolarHBondContact N-O 3.36Å; N556-Y562 HydrophobicContact CB-CE1 4.15Å; N556-Y562 VanDerWaalsContact ND2-CE1 3.33Å; N556-Y562 WeakPolarHBondContact ND2-CE1 3.24Å; N556-Y562 WeakPolarHBondContact OD1-CE1 3.33Å; N556-Y562 PolarHBondContact OD1-OH 3.35Å
557D79.7Confident84.4Confident94 Ų9459 Ų5950%0.50332%0.319SS..THydrogen-bonded Turntrans-55.1-25176-62.8-2.1000113.5N559D557-N559 VanDerWaalsContact C-N 3.27Å; D557-N559 PolarHBondContact O-N 3.44Å
558Q78.7Confident83.8Confident139 Ų13970.2 Ų70.265%0.6536%0.361SS*.THydrogen-bonded Turntrans-86.315.7177.4-61.4-170.81.100114.2N556 E560N556-Q558 PolarHBondContact O-N 2.6Å; Q558-E560 PolarHBondContact O-N 2.96Å
559N84.4Confident83.1Confident57 Ų5771.4 Ų71.431%0.30537%0.369SS..SBendtrans59.630.6-176.1-63.9-48.1000114.2N556 D557 I574 R577N556-N559 PolarHBondContact O-N 3.42Å; D557-N559 VanDerWaalsContact C-N 3.27Å; D557-N559 PolarHBondContact O-N 3.44Å; N559-I574 HydrophobicContact CB-CB 4.32Å; N559-I574 WeakPolarHBondContact O-CB 3.32Å; N559-I574 PolarHBondContact O-N 3.25Å; N559-R577 PolarHBondContact OD1-NH2 2.89Å
560E87.5Confident82.9Confident54 Ų5469.3 Ų69.325%0.25235%0.35SS..EExtended strand (participates in β ladder)trans-102.7126.6174.9-67.2-177.9177.300109.8N556 Q558 L572 K573N556-E560 PolarHBondContact N-O 3.36Å; Q558-E560 PolarHBondContact O-N 2.96Å; E560-L572 CarbonylContact C-O 3.41Å; E560-L572 WeakPolarHBondContact CA-O 3.4Å; E560-K573 HydrophobicContact CG-CB 3.98Å; E560-K573 HydrophobicContact CG-CD 4.4Å; E560-K573 HydrophobicContact CG-CG 3.88Å; E560-K573 IonicContact OE1-NZ 3.58Å; E560-K573 PolarHBondContact OE1-NZ 3.23Å
561V89.5Confident82.9Confident0 Ų071.3 Ų71.30%036%0.362CS..EExtended strand (participates in β ladder)trans-100.7128.6178-1550000109.2A525 L548 W553 S554 L555 P571 L572 I574A525-V561 HydrophobicContact CB-CG1 4.34Å; A525-V561 WeakPolarHBondContact O-CG1 3.48Å; L548-V561 HydrophobicContact CD1-CG1 3.9Å; W553-V561 HydrophobicContact CB-CG1 4.04Å; W553-V561 HydrophobicContact CE3-CB 4.11Å; W553-V561 HydrophobicContact CE3-CG1 3.74Å; S554-V561 WeakPolarHBondContact O-CA 3.47Å; S554-V561 WeakPolarHBondContact O-CG1 3.36Å; L555-V561 HydrophobicContact CD1-CG2 3.91Å; V561-P571 WeakPolarHBondContact O-CA 3.43Å; V561-L572 PolarHBondContact N-O 3.24Å; V561-L572 PolarHBondContact O-N 2.94Å; V561-I574 HydrophobicContact CG2-CD1 3.82Å; V561-I574 HydrophobicContact CG2-CG1 4.18Å
562Y87.8Confident83Confident102 Ų10271.2 Ų71.240%0.436%0.362SS..EExtended strand (participates in β ladder)trans-138149-178.561.6-76.6000110.2W553 S554 N556W553-Y562 CarbonylContact C-O 3.46Å; W553-Y562 WeakPolarHBondContact CA-O 3.34Å; S554-Y562 PolarHBondContact N-O 3.08Å; S554-Y562 VanDerWaalsContact O-CD1 3.27Å; S554-Y562 WeakPolarHBondContact O-CD1 3.22Å; S554-Y562 WeakPolarHBondContact O-CE1 3.48Å; S554-Y562 PolarHBondContact O-N 3.27Å; N556-Y562 HydrophobicContact CB-CE1 4.15Å; N556-Y562 VanDerWaalsContact ND2-CE1 3.33Å; N556-Y562 WeakPolarHBondContact ND2-CE1 3.24Å; N556-Y562 WeakPolarHBondContact OD1-CE1 3.33Å; N556-Y562 PolarHBondContact OD1-OH 3.35Å
563G84Confident83.2Confident24 Ų2472.4 Ų72.425%0.24736%0.355CS..EExtended strand (participates in β ladder)trans-165.7164.1-179.600000111.8
564R78.3Confident83.2Confident251 Ų25172.7 Ų72.795%0.94736%0.357SS*.  trans-108.285.5174.7-66.3-177.1-178.4-176.71.6108.9
565T73.5Confident83.1Confident12 Ų1272.2 Ų72.27%0.07435%0.353CS..  trans-109.8162.2174.2490000111.9I521 T551 W553 P567 R568I521-T565 HydrophobicContact CG2-CG2 4.23Å; T551-T565 WeakPolarHBondContact O-CG2 3.46Å; W553-T565 PolarHBondContact NE1-OG1 3.09Å; T565-P567 CarbonylContact C-O 3.55Å; T565-P567 CarbonylContact O-C 3.51Å; T565-P567 VanDerWaalsContact O-C 3.26Å; T565-P567 VanDerWaalsContact O-O 3.12Å; T565-R568 WeakPolarHBondContact O-CA 3.3Å; T565-R568 PolarHBondContact O-N 3.4Å
566I71.4Confident83Confident154 Ų15474.2 Ų74.279%0.7936%0.362SS*.SBendtrans-116.6116.2173.4-61167.2000105.4
567P70.7Confident83Confident63 Ų6373.6 Ų73.641%0.40936%0.355SS..SBendcis-69.3152.51.829.9-37000114.4L518 T565L518-P567 HydrophobicContact CB-CG 3.82Å; L518-P567 HydrophobicContact CD1-CG 4.41Å; L518-P567 HydrophobicContact CG-CG 4.5Å; T565-P567 CarbonylContact C-O 3.55Å; T565-P567 CarbonylContact O-C 3.51Å; T565-P567 VanDerWaalsContact O-C 3.26Å; T565-P567 VanDerWaalsContact O-O 3.12Å
568R76.1Confident83.4Confident237 Ų23770.4 Ų70.489%0.89434%0.337SS*.  trans-69.3137.4179.7-77.3-174.2175.4165.6-0.1110.9T565T565-R568 WeakPolarHBondContact O-CA 3.3Å; T565-R568 PolarHBondContact O-N 3.4Å
569S77.9Confident83.6Confident29 Ų2967.5 Ų67.520%0.20332%0.32CS..  trans-124151.3174.3-173.50000110.4Q522Q522-S569 PolarHBondContact NE2-OG 3.29Å
570S85.3Confident83.5Confident31 Ų3170.3 Ų70.322%0.21733%0.33CS..  trans-63.7155163.5620000110.3Y594S570-Y594 VanDerWaalsContact CB-O 3.31Å; S570-Y594 WeakPolarHBondContact CB-O 3.33Å; S570-Y594 PolarHBondContact OG-O 3.07Å; S570-Y594 VanDerWaalsContact OG-O 3.08Å
571P87.7Confident82.9Confident71 Ų7170.2 Ų70.246%0.46133%0.331SS..  trans-57.4144.8168.926.3-34.7000110.7V561V561-P571 WeakPolarHBondContact O-CA 3.43Å
572L90.3Very high82Confident0 Ų074.6 Ų74.60%036%0.362CS..EExtended strand (participates in β ladder)trans-105.1122.8-179.7-60.2176.5000109Q522 W553 E560 V561 V591 H593Q522-L572 HydrophobicContact CB-CD1 4.13Å; Q522-L572 HydrophobicContact CG-CD1 4.12Å; W553-L572 HydrophobicContact CH2-CD1 4.3Å; W553-L572 HydrophobicContact CH2-CG 4.32Å; W553-L572 HydrophobicContact CZ3-CD1 3.98Å; W553-L572 HydrophobicContact CZ3-CG 3.96Å; E560-L572 CarbonylContact C-O 3.41Å; E560-L572 WeakPolarHBondContact CA-O 3.4Å; V561-L572 PolarHBondContact N-O 3.24Å; V561-L572 PolarHBondContact O-N 2.94Å; L572-V591 HydrophobicContact CD2-CG2 4.37Å; L572-H593 HydrophobicContact CD2-CB 3.54Å
573K90.5Very high81.3Confident68 Ų6873.9 Ų73.930%0.29637%0.368SS..EExtended strand (participates in β ladder)trans-96.6120174.2-177.9177.1-160.8117.70109.7E560 C575 V591 S592E560-K573 HydrophobicContact CG-CB 3.98Å; E560-K573 HydrophobicContact CG-CD 4.4Å; E560-K573 HydrophobicContact CG-CG 3.88Å; E560-K573 IonicContact OE1-NZ 3.58Å; E560-K573 PolarHBondContact OE1-NZ 3.23Å; K573-C575 PolarHBondContact O-N 3.24Å; K573-V591 CarbonylContact O-C 3.12Å; K573-V591 VanDerWaalsContact O-CA 3.31Å; K573-V591 WeakPolarHBondContact O-CA 3.39Å; K573-S592 PolarHBondContact N-O 3.32Å; K573-S592 PolarHBondContact O-N 2.92Å; K573-S592 PolarHBondContact O-OG 2.93Å
574I90Very high81.1Confident14 Ų1475.3 Ų75.37%0.07237%0.37CS..EExtended strand (participates in β ladder)trans-74.4117.4177.5-60.6165.4000109L555 N559 V561 R577 V589 V591L555-I574 HydrophobicContact CD1-CD1 4.22Å; N559-I574 HydrophobicContact CB-CB 4.32Å; N559-I574 WeakPolarHBondContact O-CB 3.32Å; N559-I574 PolarHBondContact O-N 3.25Å; V561-I574 HydrophobicContact CG2-CD1 3.82Å; V561-I574 HydrophobicContact CG2-CG1 4.18Å; I574-R577 HydrophobicContact CG2-CG 3.6Å; I574-V589 HydrophobicContact CB-CG1 4.39Å; I574-V589 HydrophobicContact CG1-CG1 4.27Å; I574-V589 HydrophobicContact CG2-CG1 3.51Å; I574-V591 HydrophobicContact CG1-CG1 4.16Å
575C87.6Confident81.4Confident49 Ų4967.9 Ų67.933%0.33134%0.342SS..EExtended strand (participates in β ladder)trans-94.7-46-177.8-64.60000112K573 V590 S592 Y603 V655K573-C575 PolarHBondContact O-N 3.24Å; C575-V590 WeakPolarHBondContact CB-O 3.2Å; C575-V590 PolarHBondContact N-O 2.67Å; C575-S592 PolarHBondContact SG-OG 3.01Å; C575-Y603 HydrophobicContact CB-CE1 4.46Å; C575-V655 HydrophobicContact CB-CG1 4.21Å
576Q86.2Confident82.2Confident45 Ų4569.1 Ų69.121%0.2135%0.345CS..EExtended strand (participates in β ladder)trans-144.9138-178.5-170174.16.200110F578 V589 V590 V655Q576-F578 HydrophobicContact CG-CE2 4.19Å; Q576-F578 HydrophobicContact CG-CZ 4.22Å; Q576-F578 VanDerWaalsContact NE2-CZ 3.34Å; Q576-V589 WeakPolarHBondContact O-CA 3.46Å; Q576-V589 WeakPolarHBondContact O-CG1 3.47Å; Q576-V590 HydrophobicContact CB-CB 4.18Å; Q576-V590 HydrophobicContact CB-CG2 4.32Å; Q576-V590 PolarHBondContact N-O 3.3Å; Q576-V590 PolarHBondContact O-N 3.18Å; Q576-V655 PolarHBondContact OE1-O 2.98Å
577R87Confident83.2Confident51 Ų5161.9 Ų61.919%0.19231%0.308CS..EExtended strand (participates in β ladder)trans-116.5117178.7-63.7178.9-179155.86.1109.3L530 N559 I574 V589L530-R577 PolarHBondContact O-NH1 2.95Å; L530-R577 PolarHBondContact O-NH2 3.35Å; N559-R577 PolarHBondContact OD1-NH2 2.89Å; I574-R577 HydrophobicContact CG2-CG 3.6Å; R577-V589 HydrophobicContact CG-CG1 4.28Å; R577-V589 HydrophobicContact CG-CG2 4.28Å
578F87.5Confident84.3Confident28 Ų2858.9 Ų58.912%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-92.398.2162.4-59.6-80.3000107.4Q576 M587 S588 V590 R660 V663Q576-F578 HydrophobicContact CG-CE2 4.19Å; Q576-F578 HydrophobicContact CG-CZ 4.22Å; Q576-F578 VanDerWaalsContact NE2-CZ 3.34Å; F578-M587 WeakPolarHBondContact O-CB 3.46Å; F578-S588 CarbonylContact C-O 3.58Å; F578-S588 WeakPolarHBondContact CA-O 3.38Å; F578-S588 WeakPolarHBondContact CB-O 3.35Å; F578-S588 WeakPolarHBondContact CB-OG 3.2Å; F578-S588 WeakPolarHBondContact CD2-OG 3.41Å; F578-S588 PolarHBondContact N-O 3.06Å; F578-S588 PolarHBondContact O-N 3.04Å; F578-V590 HydrophobicContact CE2-CG2 4.13Å; F578-R660 HydrophobicContact CB-CG 4.39Å; F578-R660 HydrophobicContact CD1-CB 3.8Å; F578-R660 HydrophobicContact CD1-CG 3.97Å; F578-R660 HydrophobicContact CE1-CB 3.92Å; F578-R660 HydrophobicContact CG-CB 4.46Å; F578-R660 HydrophobicContact CG-CG 4.22Å; F578-V663 HydrophobicContact CD2-CG1 4.07Å; F578-V663 HydrophobicContact CE2-CB 4.07Å; F578-V663 HydrophobicContact CE2-CG1 3.94Å; F578-V663 HydrophobicContact CE2-CG2 3.77Å; F578-V663 HydrophobicContact CZ-CG2 4.21Å
579R81.7Confident85.1Confident77 Ų7747.6 Ų47.629%0.29125%0.245SC..EExtended strand (participates in β ladder)trans-61.2161.9-173-62.9-173.9-175.593.5-19.3112.4S311 D313 D581 R660S311-R579 PolarHBondContact OG-NE 3.48Å; S311-R579 PolarHBondContact OG-NH2 3.45Å; D313-R579 VanDerWaalsContact CG-NH1 3.26Å; D313-R579 IonicContact OD1-CZ 3.66Å; D313-R579 IonicContact OD1-NH1 2.64Å; D313-R579 PolarHBondContact OD1-NH1 3.39Å; D313-R579 VanDerWaalsContact OD1-NH1 3.11Å; D313-R579 IonicContact OD1-NH2 3.89Å; D313-R579 PolarHBondContact OD1-NH2 3.24Å; D313-R579 IonicContact OD2-CZ 2.86Å; D313-R579 IonicContact OD2-NH1 3.6Å; D313-R579 PolarHBondContact OD2-NH1 3.02Å; D313-R579 IonicContact OD2-NH2 3.65Å; R579-D581 PolarHBondContact O-N 3.17Å; R579-R660 PolarHBondContact O-NH2 3.49Å
580F83Confident85.8Confident117 Ų11746.2 Ų46.251%0.51324%0.236SC..EExtended strand (participates in β ladder)trans-61.1126.1172.3-178.8-97000110R585 R586 M587F580-R585 VanDerWaalsContact CE2-C 3.44Å; F580-R586 WeakPolarHBondContact CA-O 3.05Å; F580-M587 HydrophobicContact CB-CB 4.01Å; F580-M587 HydrophobicContact CB-SD 4.1Å
581D76Confident86.1Confident51 Ų5144.7 Ų44.727%0.27323%0.225SC..EExtended strand (participates in β ladder)trans-111.4126.3171.6-177.4-19.7000107.1R579 T583 L584 R585 R586R579-D581 PolarHBondContact O-N 3.17Å; D581-T583 PolarHBondContact O-N 3.18Å; D581-T583 WeakPolarHBondContact OD1-CB 3.4Å; D581-T583 PolarHBondContact OD1-N 3.16Å; D581-T583 PolarHBondContact OD1-OG1 2.94Å; D581-T583 PolarHBondContact OD2-OG1 3.1Å; D581-L584 HydrophobicContact CB-CB 4.06Å; D581-L584 HydrophobicContact CB-CD1 4.09Å; D581-L584 HydrophobicContact CB-CG 4.15Å; D581-L584 CarbonylContact O-C 3.54Å; D581-L584 PolarHBondContact O-N 3.26Å; D581-R585 WeakPolarHBondContact O-CA 3.42Å; D581-R585 PolarHBondContact O-N 3.1Å; D581-R586 PolarHBondContact N-O 2.98Å
582S70.1Confident86.2Confident93 Ų9341.6 Ų41.665%0.6521%0.205SC*.THydrogen-bonded Turntrans-64.5-29.3-17954.50000112.2R585S582-R585 WeakPolarHBondContact O-CG 3.08Å
583T72Confident86.1Confident87 Ų8742.8 Ų42.853%0.53421%0.211SC..THydrogen-bonded Turntrans-72.5-42.8176.566.90000111.1D581D581-T583 PolarHBondContact O-N 3.18Å; D581-T583 WeakPolarHBondContact OD1-CB 3.4Å; D581-T583 PolarHBondContact OD1-N 3.16Å; D581-T583 PolarHBondContact OD1-OG1 2.94Å; D581-T583 PolarHBondContact OD2-OG1 3.1Å
584L80.3Confident85.8Confident54 Ų5444.4 Ų44.428%0.28322%0.216SC..THydrogen-bonded Turntrans-83.9-14.6179.3-57.9174.7000113.4D581 R586 T613D581-L584 HydrophobicContact CB-CB 4.06Å; D581-L584 HydrophobicContact CB-CD1 4.09Å; D581-L584 HydrophobicContact CB-CG 4.15Å; D581-L584 CarbonylContact O-C 3.54Å; D581-L584 PolarHBondContact O-N 3.26Å; L584-R586 HydrophobicContact CB-CG 4.22Å; L584-R586 WeakPolarHBondContact O-CG 3.12Å; L584-R586 PolarHBondContact O-N 3.09Å; L584-R586 VanDerWaalsContact O-N 3.13Å; L584-T613 WeakPolarHBondContact O-CG2 3.45Å
585R84.5Confident85.3Confident95 Ų9546.5 Ų46.536%0.35823%0.227SC..THydrogen-bonded Turntrans53.631177.7-55.5179.6-68.6165.20.6114.4F580 D581 S582 G609 S610 E612 T613F580-R585 VanDerWaalsContact CE2-C 3.44Å; D581-R585 WeakPolarHBondContact O-CA 3.42Å; D581-R585 PolarHBondContact O-N 3.1Å; S582-R585 WeakPolarHBondContact O-CG 3.08Å; R585-G609 WeakPolarHBondContact O-CA 3.35Å; R585-S610 PolarHBondContact O-N 2.76Å; R585-E612 IonicContact CZ-OE2 3.49Å; R585-E612 IonicContact NH1-OE2 3.73Å; R585-E612 PolarHBondContact NH1-OE2 3.23Å; R585-E612 IonicContact NH2-OE2 2.79Å; R585-T613 PolarHBondContact NE-OG1 3.09Å; R585-T613 PolarHBondContact NH2-OG1 2.88Å; R585-T613 VanDerWaalsContact NH2-OG1 3.09Å
586R90.8Very high84.6Confident38 Ų3851 Ų5114%0.14326%0.256CS..EExtended strand (participates in β ladder)trans-156.1164.2-178.169-169.4-179.2-119.62.3112.7F580 D581 L584 K608 I614 M617 R660 E664F580-R586 WeakPolarHBondContact CA-O 3.05Å; D581-R586 PolarHBondContact N-O 2.98Å; L584-R586 HydrophobicContact CB-CG 4.22Å; L584-R586 WeakPolarHBondContact O-CG 3.12Å; L584-R586 PolarHBondContact O-N 3.09Å; L584-R586 VanDerWaalsContact O-N 3.13Å; R586-K608 CarbonylContact C-O 3.6Å; R586-K608 WeakPolarHBondContact CA-O 3.43Å; R586-I614 HydrophobicContact CB-CD1 4.46Å; R586-M617 VanDerWaalsContact NH1-CE 3.33Å; R586-R660 PolarHBondContact O-NH2 3.37Å; R586-E664 IonicContact CZ-OE2 2.94Å; R586-E664 VanDerWaalsContact CZ-OE2 3.24Å; R586-E664 IonicContact NE-OE1 3.48Å; R586-E664 IonicContact NE-OE2 3.55Å; R586-E664 PolarHBondContact NE-OE2 2.97Å; R586-E664 IonicContact NH2-OE2 3.49Å; R586-E664 PolarHBondContact NH2-OE2 3.01Å
587M91.8Very high84.1Confident1 Ų154.1 Ų54.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-145.9154.9171.872.4179.1-66.800112.1S529 F578 F580 V589 V607 K608S529-M587 VanDerWaalsContact OG-CE 3.29Å; S529-M587 WeakPolarHBondContact OG-CE 3.36Å; F578-M587 WeakPolarHBondContact O-CB 3.46Å; F580-M587 HydrophobicContact CB-CB 4.01Å; F580-M587 HydrophobicContact CB-SD 4.1Å; M587-V589 HydrophobicContact CE-CG2 4.37Å; M587-V607 WeakPolarHBondContact O-CA 3.37Å; M587-V607 WeakPolarHBondContact O-CG1 3.35Å; M587-K608 HydrophobicContact CG-CD 4.24Å; M587-K608 VanDerWaalsContact CG-CE 3.5Å; M587-K608 HydrophobicContact CG-CG 3.63Å; M587-K608 PolarHBondContact N-O 2.81Å; M587-K608 PolarHBondContact O-N 2.89Å; M587-K608 HydrophobicContact SD-CD 4.34Å; M587-K608 WeakPolarHBondContact SD-CE 3.01Å; M587-K608 HydrophobicContact SD-CG 4.36Å
588S93.4Very high83.4Confident0 Ų053.3 Ų53.30%028%0.284CS..EExtended strand (participates in β ladder)trans-139.5148.3-179.855.80000111.4F578 C606 E664F578-S588 CarbonylContact C-O 3.58Å; F578-S588 WeakPolarHBondContact CA-O 3.38Å; F578-S588 WeakPolarHBondContact CB-O 3.35Å; F578-S588 WeakPolarHBondContact CB-OG 3.2Å; F578-S588 WeakPolarHBondContact CD2-OG 3.41Å; F578-S588 PolarHBondContact N-O 3.06Å; F578-S588 PolarHBondContact O-N 3.04Å; S588-C606 CarbonylContact C-O 2.96Å; S588-C606 VanDerWaalsContact CA-O 3.28Å; S588-C606 WeakPolarHBondContact CA-O 3.42Å; S588-E664 PolarHBondContact OG-OE1 3.01Å
589V93.1Very high83Confident0 Ų058.4 Ų58.40%032%0.318CS..EExtended strand (participates in β ladder)trans-135.2131.3179.8179.90000108.8I574 Q576 R577 M587 V591 V605 C606I574-V589 HydrophobicContact CB-CG1 4.39Å; I574-V589 HydrophobicContact CG1-CG1 4.27Å; I574-V589 HydrophobicContact CG2-CG1 3.51Å; Q576-V589 WeakPolarHBondContact O-CA 3.46Å; Q576-V589 WeakPolarHBondContact O-CG1 3.47Å; R577-V589 HydrophobicContact CG-CG1 4.28Å; R577-V589 HydrophobicContact CG-CG2 4.28Å; M587-V589 HydrophobicContact CE-CG2 4.37Å; V589-V591 HydrophobicContact CG1-CG1 3.85Å; V589-V605 WeakPolarHBondContact O-CA 3.31Å; V589-C606 PolarHBondContact N-O 2.68Å; V589-C606 PolarHBondContact O-N 3.24Å
590V92.8Very high82.9Confident0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-92.7120.9171.6-173.50000108.1C575 Q576 F578 Y603 L604 V605 L647 V655 L658 V663C575-V590 WeakPolarHBondContact CB-O 3.2Å; C575-V590 PolarHBondContact N-O 2.67Å; Q576-V590 HydrophobicContact CB-CB 4.18Å; Q576-V590 HydrophobicContact CB-CG2 4.32Å; Q576-V590 PolarHBondContact N-O 3.3Å; Q576-V590 PolarHBondContact O-N 3.18Å; F578-V590 HydrophobicContact CE2-CG2 4.13Å; V590-Y603 HydrophobicContact CG1-CD1 4.03Å; V590-L604 WeakPolarHBondContact CA-O 3.29Å; V590-V605 HydrophobicContact CG2-CG2 4.41Å; V590-L647 HydrophobicContact CG1-CD1 4.5Å; V590-V655 HydrophobicContact CG1-CG1 4.18Å; V590-L658 HydrophobicContact CG2-CD1 4.42Å; V590-V663 HydrophobicContact CG2-CG1 4.2Å; V590-V663 HydrophobicContact CG2-CG2 4.27Å
591V92.6Very high82.9Confident0 Ų057.6 Ų57.60%032%0.318CS..EExtended strand (participates in β ladder)trans-118.2146.9178.5-56.60000111L572 K573 I574 V589 Y603 L604L572-V591 HydrophobicContact CD2-CG2 4.37Å; K573-V591 CarbonylContact O-C 3.12Å; K573-V591 VanDerWaalsContact O-CA 3.31Å; K573-V591 WeakPolarHBondContact O-CA 3.39Å; I574-V591 HydrophobicContact CG1-CG1 4.16Å; V589-V591 HydrophobicContact CG1-CG1 3.85Å; V591-Y603 WeakPolarHBondContact O-CA 3.38Å; V591-L604 HydrophobicContact CG2-CB 3.73Å; V591-L604 HydrophobicContact CG2-CD2 3.92Å; V591-L604 HydrophobicContact CG2-CG 4.24Å; V591-L604 WeakPolarHBondContact CG2-O 3.15Å; V591-L604 PolarHBondContact N-O 3.18Å; V591-L604 PolarHBondContact O-N 2.84Å
592S90.1Very high83.5Confident5 Ų556.4 Ų56.44%0.03531%0.311CS..EExtended strand (participates in β ladder)trans-105.6140.516959.80000110.3K573 C575 N602K573-S592 PolarHBondContact N-O 3.32Å; K573-S592 PolarHBondContact O-N 2.92Å; K573-S592 PolarHBondContact O-OG 2.93Å; C575-S592 PolarHBondContact SG-OG 3.01Å; S592-N602 CarbonylContact C-O 3.51Å; S592-N602 WeakPolarHBondContact CA-O 3.49Å
593H87.8Confident84.5Confident26 Ų2652.1 Ų52.112%0.1228%0.281CS..EExtended strand (participates in β ladder)trans-143.5159.8177.874.5-72000110.1L572 N602L572-H593 HydrophobicContact CD2-CB 3.54Å; H593-N602 PolarHBondContact N-O 3.32Å; H593-N602 PolarHBondContact ND1-O 3.33Å; H593-N602 VanDerWaalsContact ND1-O 3.08Å; H593-N602 PolarHBondContact O-N 3.09Å
594Y84.4Confident85.5Confident102 Ų10248.1 Ų48.140%0.426%0.256SS..EExtended strand (participates in β ladder)trans-106.2124.5177.8-68-82.5000108.5S570 V599 R601S570-Y594 VanDerWaalsContact CB-O 3.31Å; S570-Y594 WeakPolarHBondContact CB-O 3.33Å; S570-Y594 PolarHBondContact OG-O 3.07Å; S570-Y594 VanDerWaalsContact OG-O 3.08Å; Y594-V599 WeakPolarHBondContact CD1-O 3.25Å; Y594-V599 VanDerWaalsContact CE1-O 3.31Å; Y594-V599 WeakPolarHBondContact CE1-O 3.46Å; Y594-R601 HydrophobicContact CD1-CG 4.31Å; Y594-R601 HydrophobicContact CE1-CG 3.58Å; Y594-R601 HydrophobicContact CE2-CG 4.48Å; Y594-R601 PolarHBondContact OH-NE 3Å; Y594-R601 PolarHBondContact OH-NH2 3.33Å
595L79.2Confident86.1Confident58 Ų5845.5 Ų45.530%0.30424%0.243SC..  trans-72.7148171.7-77.183.3000109.2S597 S598 N602L595-S597 PolarHBondContact O-N 2.96Å; L595-S598 PolarHBondContact O-N 3.37Å; L595-S598 VanDerWaalsContact O-O 3.06Å; L595-N602 HydrophobicContact CD1-CB 3.58Å; L595-N602 VanDerWaalsContact CD1-CG 3.42Å; L595-N602 WeakPolarHBondContact CD1-ND2 3.33Å
596P73.3Confident86.6Confident144 Ų14441 Ų4194%0.93523%0.226SC*.THydrogen-bonded Turntrans-55.1-26.2176.3-23.732.6000113.6
597S74.1Confident86.8Confident109 Ų10939.2 Ų39.276%0.76222%0.219SC*.THydrogen-bonded Turntrans-96.4-11.4-175.142.40000115L595L595-S597 PolarHBondContact O-N 2.96Å
598S73.7Confident86.9Confident35 Ų3539.6 Ų39.625%0.24522%0.221CC..  trans-133.7137.8-175.166.40000112.6L595 D600L595-S598 PolarHBondContact O-N 3.37Å; L595-S598 VanDerWaalsContact O-O 3.06Å; S598-D600 PolarHBondContact O-N 3.45Å
599V77.4Confident86.9Confident135 Ų13539.7 Ų39.782%0.81822%0.222SC*.SBendtrans-74.3-19.3173.2-172.80000111.4Y594Y594-V599 WeakPolarHBondContact CD1-O 3.25Å; Y594-V599 VanDerWaalsContact CE1-O 3.31Å; Y594-V599 WeakPolarHBondContact CE1-O 3.46Å
600D80.9Confident86.7Confident88 Ų8840.9 Ų40.947%0.47123%0.23SC..SBendtrans-73.7148.5-178.4-58.3-40.4000112.5S598 Q649S598-D600 PolarHBondContact O-N 3.45Å; D600-Q649 HydrophobicContact CB-CG 4.45Å; D600-Q649 VanDerWaalsContact CB-NE2 3.33Å; D600-Q649 PolarHBondContact OD2-NE2 2.71Å
601R82.9Confident86.6Confident89 Ų8941.4 Ų41.434%0.33623%0.233SC..EExtended strand (participates in β ladder)trans-80.8123.4177-69.1-177.6179.8-179.45.3110.1Y594 Y603 H652Y594-R601 HydrophobicContact CD1-CG 4.31Å; Y594-R601 HydrophobicContact CE1-CG 3.58Å; Y594-R601 HydrophobicContact CE2-CG 4.48Å; Y594-R601 PolarHBondContact OH-NE 3Å; Y594-R601 PolarHBondContact OH-NH2 3.33Å; R601-Y603 HydrophobicContact CB-CE2 4.41Å; R601-H652 PolarHBondContact NH1-CE1 2.92Å; R601-H652 PolarHBondContact NH1-NE2 2.88Å; R601-H652 VanDerWaalsContact NH1-NE2 3.12Å
602N89.2Confident86.3Confident26 Ų2645.6 Ų45.614%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-101.3138.9170.6-80.29.8000110.9S592 H593 L595 G648 Q649S592-N602 CarbonylContact C-O 3.51Å; S592-N602 WeakPolarHBondContact CA-O 3.49Å; H593-N602 PolarHBondContact N-O 3.32Å; H593-N602 PolarHBondContact ND1-O 3.33Å; H593-N602 VanDerWaalsContact ND1-O 3.08Å; H593-N602 PolarHBondContact O-N 3.09Å; L595-N602 HydrophobicContact CD1-CB 3.58Å; L595-N602 VanDerWaalsContact CD1-CG 3.42Å; L595-N602 WeakPolarHBondContact CD1-ND2 3.33Å; N602-G648 WeakPolarHBondContact CA-O 3.29Å; N602-Q649 WeakPolarHBondContact OD1-CG 3.35Å
603Y91.3Very high86.1Confident2 Ų246.1 Ų46.11%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-100.7136.9179.6-68.4-89.3000111C575 V590 V591 R601 L647 G648 L650 V655C575-Y603 HydrophobicContact CB-CE1 4.46Å; V590-Y603 HydrophobicContact CG1-CD1 4.03Å; V591-Y603 WeakPolarHBondContact O-CA 3.38Å; R601-Y603 HydrophobicContact CB-CE2 4.41Å; Y603-L647 PolarHBondContact O-N 2.87Å; Y603-G648 PolarHBondContact N-O 2.77Å; Y603-G648 PolarHBondContact O-N 3.02Å; Y603-L650 HydrophobicContact CD2-CB 3.84Å; Y603-L650 HydrophobicContact CE2-CB 4.07Å; Y603-L650 WeakPolarHBondContact CE2-O 3.36Å; Y603-V655 HydrophobicContact CD1-CG1 4.44Å; Y603-V655 HydrophobicContact CD1-CG2 3.76Å; Y603-V655 HydrophobicContact CD2-CG2 4.34Å; Y603-V655 HydrophobicContact CE1-CB 4.36Å; Y603-V655 HydrophobicContact CE1-CG1 4.15Å; Y603-V655 HydrophobicContact CE1-CG2 3.45Å; Y603-V655 VanDerWaalsContact CE1-CG2 3.45Å; Y603-V655 HydrophobicContact CE2-CG2 4.09Å; Y603-V655 HydrophobicContact CG-CG2 4.17Å
604L91.8Very high86.3Confident3 Ų344.9 Ų44.92%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-132.3138.3-178.8179.875.8000108.4V590 V591 Q644 K645V590-L604 WeakPolarHBondContact CA-O 3.29Å; V591-L604 HydrophobicContact CG2-CB 3.73Å; V591-L604 HydrophobicContact CG2-CD2 3.92Å; V591-L604 HydrophobicContact CG2-CG 4.24Å; V591-L604 WeakPolarHBondContact CG2-O 3.15Å; V591-L604 PolarHBondContact N-O 3.18Å; V591-L604 PolarHBondContact O-N 2.84Å; L604-Q644 HydrophobicContact CD1-CG 3.4Å; L604-Q644 HydrophobicContact CD2-CG 4.21Å; L604-Q644 HydrophobicContact CG-CG 4Å; L604-K645 WeakPolarHBondContact CD1-O 3.37Å
605V93.5Very high86.6Confident0 Ų043.1 Ų43.10%025%0.247CC..EExtended strand (participates in β ladder)trans-101.8130.51711790000108.3V589 V590 V607 Q644 K645 L647 V663V589-V605 WeakPolarHBondContact O-CA 3.31Å; V590-V605 HydrophobicContact CG2-CG2 4.41Å; V605-V607 HydrophobicContact CG1-CG2 3.68Å; V605-Q644 CarbonylContact O-C 3.38Å; V605-Q644 VanDerWaalsContact O-CA 3.32Å; V605-Q644 WeakPolarHBondContact O-CA 3.3Å; V605-K645 HydrophobicContact CB-CB 4.09Å; V605-K645 PolarHBondContact N-O 2.85Å; V605-K645 PolarHBondContact O-N 2.72Å; V605-L647 HydrophobicContact CG2-CD1 3.43Å; V605-L647 VanDerWaalsContact CG2-CD1 3.43Å; V605-L647 HydrophobicContact CG2-CD2 4.36Å; V605-L647 HydrophobicContact CG2-CG 3.76Å; V605-V663 HydrophobicContact CB-CG1 4.26Å; V605-V663 HydrophobicContact CG1-CG1 3.35Å; V605-V663 HydrophobicContact CG2-CG1 3.87Å
606C94.8Very high87.1Confident0 Ų045.4 Ų45.40%027%0.265CS..EExtended strand (participates in β ladder)trans-116.5127.1172.8-63.70000108.8V523 S526 C527 S588 V589V523-C606 HydrophobicContact CB-CB 4.29Å; V523-C606 HydrophobicContact CG1-CB 4.2Å; V523-C606 HydrophobicContact CG2-CB 4.03Å; S526-C606 PolarHBondContact OG-SG 2.98Å; C527-C606 HydrophobicContact CB-CB 3.98Å; C527-C606 PolarHBondContact SG-O 3.11Å; S588-C606 CarbonylContact C-O 2.96Å; S588-C606 VanDerWaalsContact CA-O 3.28Å; S588-C606 WeakPolarHBondContact CA-O 3.42Å; V589-C606 PolarHBondContact N-O 2.68Å; V589-C606 PolarHBondContact O-N 3.24Å
607V94.7Very high87.9Confident0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-124.3139.3-176.3-170.20000109.6V523 M587 V605 I614 G643 I667V523-V607 WeakPolarHBondContact CG1-O 3.44Å; M587-V607 WeakPolarHBondContact O-CA 3.37Å; M587-V607 WeakPolarHBondContact O-CG1 3.35Å; V605-V607 HydrophobicContact CG1-CG2 3.68Å; V607-I614 HydrophobicContact CG1-CD1 3.53Å; V607-G643 PolarHBondContact N-O 3.07Å; V607-G643 PolarHBondContact O-N 3.14Å; V607-I667 HydrophobicContact CB-CD1 4.03Å; V607-I667 HydrophobicContact CG1-CD1 4.03Å; V607-I667 HydrophobicContact CG2-CD1 3.66Å; V607-I667 HydrophobicContact CG2-CG1 4.28Å
608K94Very high88.7Confident10 Ų1036.1 Ų36.14%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-136.4146.7166.973.1-176.1178.9-172.80110.8C527 E544 M547 R586 M587 A641 L642C527-K608 HydrophobicContact CB-CD 4.34Å; C527-K608 WeakPolarHBondContact O-CD 3.26Å; C527-K608 WeakPolarHBondContact O-CE 3.18Å; C527-K608 PolarHBondContact O-NZ 3.41Å; E544-K608 IonicContact OE1-NZ 3.64Å; E544-K608 PolarHBondContact OE1-NZ 2.73Å; M547-K608 HydrophobicContact SD-CD 4.39Å; R586-K608 CarbonylContact C-O 3.6Å; R586-K608 WeakPolarHBondContact CA-O 3.43Å; M587-K608 HydrophobicContact CG-CD 4.24Å; M587-K608 VanDerWaalsContact CG-CE 3.5Å; M587-K608 HydrophobicContact CG-CG 3.63Å; M587-K608 PolarHBondContact N-O 2.81Å; M587-K608 PolarHBondContact O-N 2.89Å; M587-K608 HydrophobicContact SD-CD 4.34Å; M587-K608 WeakPolarHBondContact SD-CE 3.01Å; M587-K608 HydrophobicContact SD-CG 4.36Å; K608-A641 VanDerWaalsContact CA-O 3.27Å; K608-A641 WeakPolarHBondContact CA-O 3.19Å; K608-L642 HydrophobicContact CB-CD2 3.86Å
609G92.5Very high89.4Confident2 Ų237.9 Ų37.92%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-177.1-174.3179.500000114R585 L640 A641R585-G609 WeakPolarHBondContact O-CA 3.35Å; G609-L640 CarbonylContact O-C 3.56Å; G609-L640 WeakPolarHBondContact O-CA 3.21Å; G609-A641 PolarHBondContact N-O 2.95Å; G609-A641 VanDerWaalsContact N-O 3.07Å; G609-A641 PolarHBondContact O-N 2.9Å
610S90.3Very high89.7Confident24 Ų2436.7 Ų36.717%0.16820%0.197CC..  trans-62.4140.1173.762.20000111.3R585 E612 T613 I614R585-S610 PolarHBondContact O-N 2.76Å; S610-E612 VanDerWaalsContact C-N 3.3Å; S610-E612 PolarHBondContact O-N 3.19Å; S610-T613 PolarHBondContact O-N 3Å; S610-T613 VanDerWaalsContact OG-CB 3.29Å; S610-T613 WeakPolarHBondContact OG-CB 3.33Å; S610-T613 PolarHBondContact OG-OG1 3.2Å; S610-I614 WeakPolarHBondContact O-CG1 3.43Å; S610-I614 PolarHBondContact O-N 2.88Å
611P89.3Confident89.8Confident11 Ų1134.9 Ų34.97%0.07119%0.194CC..Hα-helixtrans-53.9-43-179.2-29.736.2000114T613 I614 L615 Y625 Y629 V639 F672P611-T613 VanDerWaalsContact C-N 3.28Å; P611-T613 PolarHBondContact O-N 3.47Å; P611-I614 PolarHBondContact O-N 3.4Å; P611-L615 WeakPolarHBondContact O-CB 3.34Å; P611-L615 PolarHBondContact O-N 2.94Å; P611-Y625 WeakPolarHBondContact CA-OH 3.46Å; P611-Y625 HydrophobicContact CB-CE1 4.13Å; P611-Y625 PolarHBondContact O-OH 2.96Å; P611-Y629 HydrophobicContact CB-CD1 3.73Å; P611-Y629 HydrophobicContact CB-CD2 4Å; P611-Y629 HydrophobicContact CB-CE1 4.15Å; P611-Y629 HydrophobicContact CB-CE2 4.41Å; P611-Y629 HydrophobicContact CB-CG 3.69Å; P611-Y629 HydrophobicContact CG-CD1 4.47Å; P611-Y629 HydrophobicContact CG-CD2 4.07Å; P611-Y629 HydrophobicContact CG-CG 3.95Å; P611-V639 WeakPolarHBondContact CD-O 3.34Å; P611-V639 HydrophobicContact CG-CB 4.41Å; P611-V639 HydrophobicContact CG-CG1 4.14Å; P611-F672 HydrophobicContact CB-CE1 3.86Å; P611-F672 HydrophobicContact CG-CD1 4.28Å; P611-F672 HydrophobicContact CG-CE1 3.88Å
612E86.2Confident89.9Confident88 Ų8831.5 Ų31.541%0.41118%0.184SC..Hα-helixtrans-59.7-36.7178.4-62167.2-166.300112.8R585 S610 P616R585-E612 IonicContact CZ-OE2 3.49Å; R585-E612 IonicContact NH1-OE2 3.73Å; R585-E612 PolarHBondContact NH1-OE2 3.23Å; R585-E612 IonicContact NH2-OE2 2.79Å; S610-E612 VanDerWaalsContact C-N 3.3Å; S610-E612 PolarHBondContact O-N 3.19Å; E612-P616 VanDerWaalsContact O-CD 3.28Å; E612-P616 WeakPolarHBondContact O-CD 3.47Å
613T87.9Confident89.6Confident16 Ų1637 Ų3710%0.09822%0.221CC..Hα-helixtrans-86.6-31.3-174.9-52.40000112.1L584 R585 S610 P611 P616L584-T613 WeakPolarHBondContact O-CG2 3.45Å; R585-T613 PolarHBondContact NE-OG1 3.09Å; R585-T613 PolarHBondContact NH2-OG1 2.88Å; R585-T613 VanDerWaalsContact NH2-OG1 3.09Å; S610-T613 PolarHBondContact O-N 3Å; S610-T613 VanDerWaalsContact OG-CB 3.29Å; S610-T613 WeakPolarHBondContact OG-CB 3.33Å; S610-T613 PolarHBondContact OG-OG1 3.2Å; P611-T613 VanDerWaalsContact C-N 3.28Å; P611-T613 PolarHBondContact O-N 3.47Å; T613-P616 WeakPolarHBondContact O-CD 3.27Å; T613-P616 WeakPolarHBondContact O-CG 3.33Å
614I91.6Very high89.2Confident0 Ų039.1 Ų39.10%023%0.232CC..Hα-helixtrans-76.1-34.3177.2-65.3-75.2000110.8R586 V607 S610 P611 M617 L618 A641R586-I614 HydrophobicContact CB-CD1 4.46Å; V607-I614 HydrophobicContact CG1-CD1 3.53Å; S610-I614 WeakPolarHBondContact O-CG1 3.43Å; S610-I614 PolarHBondContact O-N 2.88Å; P611-I614 PolarHBondContact O-N 3.4Å; I614-M617 WeakPolarHBondContact O-CA 3.46Å; I614-M617 WeakPolarHBondContact O-CB 3.26Å; I614-M617 PolarHBondContact O-N 3.4Å; I614-L618 HydrophobicContact CG2-CD1 4.35Å; I614-L618 HydrophobicContact CG2-CD2 3.87Å; I614-L618 HydrophobicContact CG2-CG 4.05Å; I614-L618 PolarHBondContact O-N 2.98Å; I614-A641 HydrophobicContact CB-CB 3.87Å; I614-A641 HydrophobicContact CG1-CB 4Å; I614-A641 HydrophobicContact CG2-CB 3.94Å
615L90Very high89Confident65 Ų6539.3 Ų39.334%0.3423%0.233SC..G310 helixtrans-46.1-52.2-178.3-178.762.7000114.7P611 M617 L618 A621 Y625P611-L615 WeakPolarHBondContact O-CB 3.34Å; P611-L615 PolarHBondContact O-N 2.94Å; L615-M617 PolarHBondContact O-N 3.41Å; L615-M617 VanDerWaalsContact O-N 3.13Å; L615-L618 PolarHBondContact O-N 3.43Å; L615-A621 HydrophobicContact CD1-CB 3.89Å; L615-Y625 HydrophobicContact CB-CE1 3.9Å; L615-Y625 HydrophobicContact CD1-CD1 3.68Å; L615-Y625 HydrophobicContact CD1-CE1 3.75Å; L615-Y625 HydrophobicContact CD1-CG 4.16Å; L615-Y625 HydrophobicContact CD2-CE1 4.45Å; L615-Y625 HydrophobicContact CG-CD1 4.49Å; L615-Y625 HydrophobicContact CG-CE1 4.24Å
616P89.9Confident88.6Confident106 Ų10644.8 Ų44.869%0.68826%0.258SS*.G310 helixtrans-68-9.8-179.727.6-37.1000114.6E612 T613E612-P616 VanDerWaalsContact O-CD 3.28Å; E612-P616 WeakPolarHBondContact O-CD 3.47Å; T613-P616 WeakPolarHBondContact O-CD 3.27Å; T613-P616 WeakPolarHBondContact O-CG 3.33Å
617M90.2Very high88.1Confident37 Ų3750.4 Ų50.418%0.18229%0.285CS..G310 helixtrans-99.7-6.4-178.3-57.2178.615600112.9R586 I614 L615 E664 D666 I667R586-M617 VanDerWaalsContact NH1-CE 3.33Å; I614-M617 WeakPolarHBondContact O-CA 3.46Å; I614-M617 WeakPolarHBondContact O-CB 3.26Å; I614-M617 PolarHBondContact O-N 3.4Å; L615-M617 PolarHBondContact O-N 3.41Å; L615-M617 VanDerWaalsContact O-N 3.13Å; M617-E664 HydrophobicContact CE-CB 4.29Å; M617-E664 HydrophobicContact SD-CB 4.24Å; M617-E664 VanDerWaalsContact SD-O 3.34Å; M617-D666 PolarHBondContact O-N 3Å; M617-I667 HydrophobicContact CB-CD1 4.07Å; M617-I667 PolarHBondContact O-N 3.46Å
618L91.3Very high87.7Confident21 Ų2150.5 Ų50.511%0.1129%0.285CS..BIsolated β-bridgetrans-79.6136.6-178.6-65.4175.4000110.5I614 L615 A621 Y625 I667 F669I614-L618 HydrophobicContact CG2-CD1 4.35Å; I614-L618 HydrophobicContact CG2-CD2 3.87Å; I614-L618 HydrophobicContact CG2-CG 4.05Å; I614-L618 PolarHBondContact O-N 2.98Å; L615-L618 PolarHBondContact O-N 3.43Å; L618-A621 HydrophobicContact CB-CB 4.33Å; L618-A621 HydrophobicContact CD1-CB 4.12Å; L618-Y625 HydrophobicContact CD1-CD2 4.17Å; L618-Y625 HydrophobicContact CD1-CE2 3.61Å; L618-I667 VanDerWaalsContact CA-O 3.29Å; L618-I667 WeakPolarHBondContact CA-O 3.29Å; L618-I667 HydrophobicContact CD2-CB 4.45Å; L618-F669 HydrophobicContact CD1-CB 4.19Å; L618-F669 HydrophobicContact CD1-CD2 4.22Å; L618-F669 HydrophobicContact CD1-CG 4.43Å; L618-F669 HydrophobicContact CD2-CB 3.93Å; L618-F669 HydrophobicContact CD2-CD2 4.5Å
619V88.4Confident87.3Confident72 Ų7251.3 Ų51.344%0.43629%0.288SS..SBendtrans-72-48.7171.4-177.90000110.2D666 I667V619-D666 VanDerWaalsContact CG2-C 3.42Å; V619-D666 VanDerWaalsContact CG2-CA 3.46Å; V619-D666 HydrophobicContact CG2-CB 3.78Å; V619-I667 PolarHBondContact N-O 3.5Å
620D83.8Confident87Confident111 Ų11152.8 Ų52.859%0.59430%0.295SS*.SBendtrans-127.591.5-178.3-60.2-49.7000109.3
621A83.4Confident86.8Confident50 Ų5052.5 Ų52.541%0.41329%0.293SS..  trans-79.6130.7172.800000109.9L615 L618L615-A621 HydrophobicContact CD1-CB 3.89Å; L618-A621 HydrophobicContact CB-CB 4.33Å; L618-A621 HydrophobicContact CD1-CB 4.12Å
622P84.6Confident86.7Confident18 Ų1852.2 Ų52.212%0.11729%0.291CS..  trans-65.8148.1176.327.8-33.3000110.7D624 Y625 F669P622-D624 WeakPolarHBondContact CB-OD1 3.18Å; P622-D624 PolarHBondContact O-N 3.49Å; P622-Y625 HydrophobicContact CG-CD2 4.09Å; P622-Y625 WeakPolarHBondContact O-CB 3.25Å; P622-Y625 PolarHBondContact O-N 3.12Å; P622-F669 HydrophobicContact CG-CD1 3.62Å; P622-F669 HydrophobicContact CG-CE1 3.67Å
623P81.9Confident86.6Confident142 Ų14248.6 Ų48.692%0.92228%0.275SS*.THydrogen-bonded Turntrans-64.7-26.7-173.926.5-35000113.2
624D83.8Confident86.4Confident46 Ų4651.9 Ų51.925%0.24629%0.286CS..THydrogen-bonded Turntrans-93.310.417864.3-28.5000113.1S507 P622 E626 E627 A628S507-D624 WeakPolarHBondContact CB-OD2 3.3Å; P622-D624 WeakPolarHBondContact CB-OD1 3.18Å; P622-D624 PolarHBondContact O-N 3.49Å; D624-E626 VanDerWaalsContact C-N 3.33Å; D624-E626 PolarHBondContact O-N 3.27Å; D624-E627 PolarHBondContact O-N 2.91Å; D624-A628 WeakPolarHBondContact O-CB 3.17Å; D624-A628 PolarHBondContact O-N 2.83Å
625Y87.1Confident86.1Confident6 Ų658.2 Ų58.22%0.02431%0.31CS..Hα-helixtrans-51.6-50.6-177.1-176.7-88.3000112.2P611 L615 L618 P622 Y629 A641 F669 F672P611-Y625 WeakPolarHBondContact CA-OH 3.46Å; P611-Y625 HydrophobicContact CB-CE1 4.13Å; P611-Y625 PolarHBondContact O-OH 2.96Å; L615-Y625 HydrophobicContact CB-CE1 3.9Å; L615-Y625 HydrophobicContact CD1-CD1 3.68Å; L615-Y625 HydrophobicContact CD1-CE1 3.75Å; L615-Y625 HydrophobicContact CD1-CG 4.16Å; L615-Y625 HydrophobicContact CD2-CE1 4.45Å; L615-Y625 HydrophobicContact CG-CD1 4.49Å; L615-Y625 HydrophobicContact CG-CE1 4.24Å; L618-Y625 HydrophobicContact CD1-CD2 4.17Å; L618-Y625 HydrophobicContact CD1-CE2 3.61Å; P622-Y625 HydrophobicContact CG-CD2 4.09Å; P622-Y625 WeakPolarHBondContact O-CB 3.25Å; P622-Y625 PolarHBondContact O-N 3.12Å; Y625-Y629 HydrophobicContact CD1-CD1 4.13Å; Y625-Y629 HydrophobicContact CD1-CE1 4.38Å; Y625-Y629 HydrophobicContact CE1-CD1 4.15Å; Y625-Y629 HydrophobicContact CE1-CE1 4.39Å; Y625-Y629 VanDerWaalsContact O-CD1 3.29Å; Y625-Y629 WeakPolarHBondContact O-CD1 3.4Å; Y625-Y629 PolarHBondContact O-N 3.19Å; Y625-A641 WeakPolarHBondContact OH-CB 3.47Å; Y625-F669 HydrophobicContact CD2-CD2 4.32Å; Y625-F669 HydrophobicContact CD2-CE1 4.25Å; Y625-F669 HydrophobicContact CD2-CE2 4.03Å; Y625-F669 AromaticContact CD2-CZ 3.98Å; Y625-F669 HydrophobicContact CD2-CZ 3.98Å; Y625-F669 AromaticContact CE2-CD2 3.8Å; Y625-F669 HydrophobicContact CE2-CD2 3.8Å; Y625-F669 AromaticContact CE2-CE2 3.51Å; Y625-F669 HydrophobicContact CE2-CE2 3.51Å; Y625-F669 HydrophobicContact CE2-CG 4.46Å; Y625-F669 AromaticContact CE2-CZ 3.92Å; Y625-F669 HydrophobicContact CE2-CZ 3.92Å; Y625-F672 HydrophobicContact CD1-CZ 4.03Å; Y625-F672 HydrophobicContact CD2-CE1 4.33Å; Y625-F672 HydrophobicContact CD2-CE2 4.06Å; Y625-F672 AromaticContact CD2-CZ 3.45Å; Y625-F672 HydrophobicContact CD2-CZ 3.45Å; Y625-F672 VanDerWaalsContact CD2-CZ 3.45Å; Y625-F672 HydrophobicContact CE1-CE1 4.3Å; Y625-F672 AromaticContact CE1-CZ 3.89Å; Y625-F672 HydrophobicContact CE1-CZ 3.89Å; Y625-F672 AromaticContact CE2-CE1 3.71Å; Y625-F672 HydrophobicContact CE2-CE1 3.71Å; Y625-F672 HydrophobicContact CE2-CE2 4.24Å; Y625-F672 AromaticContact CE2-CZ 3.29Å; Y625-F672 HydrophobicContact CE2-CZ 3.29Å; Y625-F672 HydrophobicContact CG-CE2 4.44Å; Y625-F672 AromaticContact CG-CZ 3.84Å; Y625-F672 HydrophobicContact CG-CZ 3.84Å; Y625-F672 AromaticContact CZ-CE1 3.71Å; Y625-F672 AromaticContact CZ-CZ 3.54Å
626E84.3Confident85.6Confident116 Ų11655.8 Ų55.854%0.54230%0.3SS..Hα-helixtrans-69.5-46-175.9-175.8160-143.100112.6D624 A628 Y629 L630D624-E626 VanDerWaalsContact C-N 3.33Å; D624-E626 PolarHBondContact O-N 3.27Å; E626-A628 VanDerWaalsContact C-N 3.31Å; E626-A628 PolarHBondContact O-N 3.27Å; E626-Y629 VanDerWaalsContact CA-CE1 3.48Å; E626-Y629 HydrophobicContact CB-CE1 4.03Å; E626-Y629 HydrophobicContact CG-CE1 3.83Å; E626-Y629 WeakPolarHBondContact O-CD1 3.3Å; E626-L630 HydrophobicContact CG-CD1 3.7Å; E626-L630 HydrophobicContact CG-CG 4.36Å; E626-L630 WeakPolarHBondContact O-CB 3.39Å; E626-L630 VanDerWaalsContact O-CG 3.27Å; E626-L630 WeakPolarHBondContact O-CG 3.46Å; E626-L630 PolarHBondContact O-N 3.43Å
627E84.6Confident85.4Confident118 Ų11850.9 Ų50.955%0.55127%0.269SS*.Hα-helixtrans-60.9-40.6176.6-171.4-177.817400111.9D624 T631D624-E627 PolarHBondContact O-N 2.91Å; E627-T631 VanDerWaalsContact O-CB 3.23Å; E627-T631 WeakPolarHBondContact O-CB 3.29Å; E627-T631 PolarHBondContact O-N 3.42Å; E627-T631 PolarHBondContact O-OG1 2.79Å
628A86Confident85.3Confident1 Ų152.9 Ų52.91%0.00828%0.275CS..Hα-helixtrans-62.9-51-178.500000112D624 E626 M632 F672D624-A628 WeakPolarHBondContact O-CB 3.17Å; D624-A628 PolarHBondContact O-N 2.83Å; E626-A628 VanDerWaalsContact C-N 3.31Å; E626-A628 PolarHBondContact O-N 3.27Å; A628-M632 WeakPolarHBondContact O-CG 3.38Å; A628-M632 PolarHBondContact O-N 3.24Å; A628-F672 HydrophobicContact CB-CD2 4.35Å; A628-F672 HydrophobicContact CB-CE2 4.02Å
629Y86.8Confident85.3Confident27 Ų2752.8 Ų52.811%0.10628%0.275CS..Hα-helixtrans-71.9-38-178.687.3-104.2000111.7P611 Y625 E626 T631 M632 A633 F672P611-Y629 HydrophobicContact CB-CD1 3.73Å; P611-Y629 HydrophobicContact CB-CD2 4Å; P611-Y629 HydrophobicContact CB-CE1 4.15Å; P611-Y629 HydrophobicContact CB-CE2 4.41Å; P611-Y629 HydrophobicContact CB-CG 3.69Å; P611-Y629 HydrophobicContact CG-CD1 4.47Å; P611-Y629 HydrophobicContact CG-CD2 4.07Å; P611-Y629 HydrophobicContact CG-CG 3.95Å; Y625-Y629 HydrophobicContact CD1-CD1 4.13Å; Y625-Y629 HydrophobicContact CD1-CE1 4.38Å; Y625-Y629 HydrophobicContact CE1-CD1 4.15Å; Y625-Y629 HydrophobicContact CE1-CE1 4.39Å; Y625-Y629 VanDerWaalsContact O-CD1 3.29Å; Y625-Y629 WeakPolarHBondContact O-CD1 3.4Å; Y625-Y629 PolarHBondContact O-N 3.19Å; E626-Y629 VanDerWaalsContact CA-CE1 3.48Å; E626-Y629 HydrophobicContact CB-CE1 4.03Å; E626-Y629 HydrophobicContact CG-CE1 3.83Å; E626-Y629 WeakPolarHBondContact O-CD1 3.3Å; Y629-T631 VanDerWaalsContact C-N 3.33Å; Y629-T631 PolarHBondContact O-N 3.5Å; Y629-M632 PolarHBondContact O-N 3.15Å; Y629-A633 VanDerWaalsContact O-CB 3.25Å; Y629-A633 WeakPolarHBondContact O-CB 3.25Å; Y629-A633 PolarHBondContact O-N 3.34Å; Y629-F672 HydrophobicContact CD1-CZ 4.32Å
630L85.2Confident85.4Confident33 Ų3350.8 Ų50.817%0.17326%0.261CS..Hα-helixtrans-64.3-39177.5-73.9174.5000111.5E626 A633 R634 L706E626-L630 HydrophobicContact CG-CD1 3.7Å; E626-L630 HydrophobicContact CG-CG 4.36Å; E626-L630 WeakPolarHBondContact O-CB 3.39Å; E626-L630 VanDerWaalsContact O-CG 3.27Å; E626-L630 WeakPolarHBondContact O-CG 3.46Å; E626-L630 PolarHBondContact O-N 3.43Å; L630-A633 PolarHBondContact O-N 2.96Å; L630-R634 WeakPolarHBondContact O-CB 3.47Å; L630-R634 VanDerWaalsContact O-CG 3.27Å; L630-R634 WeakPolarHBondContact O-CG 3.31Å; L630-R634 PolarHBondContact O-N 3.25Å; L630-R634 PolarHBondContact O-NE 3.12Å; L630-L706 HydrophobicContact CD2-CD1 4.22Å
631T86.1Confident85.9Confident19 Ų1945.5 Ų45.512%0.11723%0.233CC..Hα-helixtrans-65.3-40.9177.4-59.90000111.8N508 E627 Y629 R634 R635N508-T631 WeakPolarHBondContact OD1-CG2 3.32Å; E627-T631 VanDerWaalsContact O-CB 3.23Å; E627-T631 WeakPolarHBondContact O-CB 3.29Å; E627-T631 PolarHBondContact O-N 3.42Å; E627-T631 PolarHBondContact O-OG1 2.79Å; Y629-T631 VanDerWaalsContact C-N 3.33Å; Y629-T631 PolarHBondContact O-N 3.5Å; T631-R634 PolarHBondContact OG1-NH2 3.45Å; T631-R635 WeakPolarHBondContact O-CG 3.13Å; T631-R635 PolarHBondContact O-N 2.93Å
632M86.9Confident86.4Confident5 Ų543.1 Ų43.13%0.02521%0.213CC..Hα-helixtrans-73-36.4175.2-65.2-60.7179.300112.9T500 A628 Y629 R634 R635 A637 V639 I674T500-M632 HydrophobicContact CG2-CE 4.03Å; T500-M632 HydrophobicContact CG2-CG 4Å; A628-M632 WeakPolarHBondContact O-CG 3.38Å; A628-M632 PolarHBondContact O-N 3.24Å; Y629-M632 PolarHBondContact O-N 3.15Å; M632-R634 VanDerWaalsContact C-N 3.32Å; M632-R634 PolarHBondContact O-N 3.35Å; M632-R635 WeakPolarHBondContact O-CB 3.43Å; M632-R635 PolarHBondContact O-N 2.88Å; M632-R635 VanDerWaalsContact O-N 3.11Å; M632-A637 PolarHBondContact O-N 2.8Å; M632-V639 HydrophobicContact CB-CG2 3.8Å; M632-I674 HydrophobicContact CB-CD1 3.7Å; M632-I674 HydrophobicContact CG-CD1 3.76Å; M632-I674 HydrophobicContact CG-CG1 4.31Å
633A84.6Confident86.9Confident11 Ų1142.2 Ų42.29%0.09121%0.208CC..Hα-helixtrans-63.8-37.9174.700000111.8Y629 L630 R635 G636 V639 L706Y629-A633 VanDerWaalsContact O-CB 3.25Å; Y629-A633 WeakPolarHBondContact O-CB 3.25Å; Y629-A633 PolarHBondContact O-N 3.34Å; L630-A633 PolarHBondContact O-N 2.96Å; A633-R635 PolarHBondContact O-N 3.28Å; A633-G636 WeakPolarHBondContact O-CA 3.47Å; A633-G636 PolarHBondContact O-N 2.78Å; A633-V639 HydrophobicContact CB-CG2 4.32Å; A633-L706 HydrophobicContact CB-CD1 4.1Å
634R84Confident87.5Confident85 Ų8536.7 Ų36.732%0.32117%0.17SC..Hα-helixtrans-66.1-23.2172.7-77-175.1-67.2171.6-5.9113.6L630 T631 M632 G636 H710 V742 D743L630-R634 WeakPolarHBondContact O-CB 3.47Å; L630-R634 VanDerWaalsContact O-CG 3.27Å; L630-R634 WeakPolarHBondContact O-CG 3.31Å; L630-R634 PolarHBondContact O-N 3.25Å; L630-R634 PolarHBondContact O-NE 3.12Å; T631-R634 PolarHBondContact OG1-NH2 3.45Å; M632-R634 VanDerWaalsContact C-N 3.32Å; M632-R634 PolarHBondContact O-N 3.35Å; R634-G636 PolarHBondContact O-N 3.09Å; R634-H710 PolarHBondContact O-ND1 3.37Å; R634-V742 HydrophobicContact CG-CG1 4.3Å; R634-D743 IonicContact NH1-OD1 3.36Å
635R84.4Confident87.9Confident134 Ų13436 Ų3651%0.50616%0.164SC..THydrogen-bonded Turntrans-79.98.5168.4-66.5178.2-177.9178.23.1113.1T631 M632 A633 A637 H710T631-R635 WeakPolarHBondContact O-CG 3.13Å; T631-R635 PolarHBondContact O-N 2.93Å; M632-R635 WeakPolarHBondContact O-CB 3.43Å; M632-R635 PolarHBondContact O-N 2.88Å; M632-R635 VanDerWaalsContact O-N 3.11Å; A633-R635 PolarHBondContact O-N 3.28Å; R635-A637 VanDerWaalsContact C-N 3.26Å; R635-A637 PolarHBondContact O-N 2.86Å; R635-H710 VanDerWaalsContact C-CD2 3.42Å; R635-H710 PolarHBondContact O-CD2 2.96Å; R635-H710 VanDerWaalsContact O-CD2 3.27Å; R635-H710 PolarHBondContact O-NE2 3.09Å
636G80Confident88.1Confident13 Ų1340.3 Ų40.313%0.13419%0.192CC..THydrogen-bonded Turntrans777.6177.100000115A633 R634 T707 H710A633-G636 WeakPolarHBondContact O-CA 3.47Å; A633-G636 PolarHBondContact O-N 2.78Å; R634-G636 PolarHBondContact O-N 3.09Å; G636-T707 WeakPolarHBondContact O-CG2 3.49Å; G636-H710 VanDerWaalsContact CA-CD2 3.43Å; G636-H710 WeakPolarHBondContact CA-CD2 3.41Å
637A86.5Confident88.2Confident4 Ų437 Ų373%0.03318%0.177CC..  trans-80.7147.6175.200000111.6M632 R635 I674 I675M632-A637 PolarHBondContact O-N 2.8Å; R635-A637 VanDerWaalsContact C-N 3.26Å; R635-A637 PolarHBondContact O-N 2.86Å; A637-I674 HydrophobicContact CB-CG2 3.38Å; A637-I675 CarbonylContact C-O 3.58Å; A637-I675 WeakPolarHBondContact CA-O 3.28Å
638R88.3Confident88.3Confident79 Ų7932.5 Ų32.530%0.29816%0.163SC..EExtended strand (participates in β ladder)trans-76.7125.5161.7-71.8-179.9176.4169.93107.9I675 D703R638-I675 HydrophobicContact CB-CB 4.13Å; R638-I675 PolarHBondContact N-O 3.46Å; R638-I675 PolarHBondContact O-N 3.32Å; R638-D703 IonicContact CZ-OD1 2.86Å; R638-D703 IonicContact NE-OD1 2.73Å; R638-D703 IonicContact NH2-OD1 3.23Å; R638-D703 PolarHBondContact NH2-OD1 3.23Å; R638-D703 IonicContact NH2-OD2 2.76Å
639V90Very high88.2Confident18 Ų1838.1 Ų38.111%0.10919%0.189CC..EExtended strand (participates in β ladder)trans-112.8124.9-177.3-170.90000109P611 M632 A633 F672 I674P611-V639 WeakPolarHBondContact CD-O 3.34Å; P611-V639 HydrophobicContact CG-CB 4.41Å; P611-V639 HydrophobicContact CG-CG1 4.14Å; M632-V639 HydrophobicContact CB-CG2 3.8Å; A633-V639 HydrophobicContact CB-CG2 4.32Å; V639-F672 HydrophobicContact CG1-CB 3.81Å; V639-F672 HydrophobicContact CG1-CD1 3.69Å; V639-F672 HydrophobicContact CG1-CE1 4.48Å; V639-F672 HydrophobicContact CG1-CG 3.89Å; V639-I674 HydrophobicContact CB-CD1 4.34Å; V639-I674 HydrophobicContact CG1-CD1 3.88Å; V639-I674 HydrophobicContact CG2-CD1 3.9Å
640L92Very high88Confident30 Ų3039.3 Ų39.316%0.15720%0.197CC..EExtended strand (participates in β ladder)trans-119.6131.5171.8-57.5174.3000109.7M543 M547 G609 F672 V673 I675M543-L640 HydrophobicContact CE-CD1 4.1Å; M543-L640 HydrophobicContact SD-CD1 3.93Å; M547-L640 HydrophobicContact CE-CD1 3.49Å; M547-L640 VanDerWaalsContact CE-CD1 3.49Å; G609-L640 CarbonylContact O-C 3.56Å; G609-L640 WeakPolarHBondContact O-CA 3.21Å; L640-F672 CarbonylContact O-C 3.55Å; L640-F672 VanDerWaalsContact O-CA 3.3Å; L640-F672 WeakPolarHBondContact O-CA 3.48Å; L640-V673 HydrophobicContact CB-CG1 3.7Å; L640-V673 HydrophobicContact CD1-CG1 4.34Å; L640-V673 HydrophobicContact CG-CG1 4.43Å; L640-V673 PolarHBondContact N-O 2.83Å; L640-V673 VanDerWaalsContact N-O 3.12Å; L640-V673 PolarHBondContact O-N 2.87Å; L640-I675 HydrophobicContact CD1-CD1 3.82Å; L640-I675 HydrophobicContact CG-CD1 4.28Å
641A93.8Very high87.8Confident0 Ų041.4 Ų41.40%021%0.211CC..EExtended strand (participates in β ladder)trans-77.4136.7172.100000109.9K608 G609 I614 Y625 F669 F672K608-A641 VanDerWaalsContact CA-O 3.27Å; K608-A641 WeakPolarHBondContact CA-O 3.19Å; G609-A641 PolarHBondContact N-O 2.95Å; G609-A641 VanDerWaalsContact N-O 3.07Å; G609-A641 PolarHBondContact O-N 2.9Å; I614-A641 HydrophobicContact CB-CB 3.87Å; I614-A641 HydrophobicContact CG1-CB 4Å; I614-A641 HydrophobicContact CG2-CB 3.94Å; Y625-A641 WeakPolarHBondContact OH-CB 3.47Å; A641-F669 HydrophobicContact CB-CE2 4.42Å; A641-F672 HydrophobicContact CB-CD1 3.95Å; A641-F672 HydrophobicContact CB-CE1 3.76Å
642L94.4Very high87.4Confident0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-108.4140.9176-54.7176.3000109.1T520 V523 L524 K608 F669 C670 G671 V673T520-L642 HydrophobicContact CG2-CD1 3.8Å; V523-L642 HydrophobicContact CG1-CB 4.06Å; V523-L642 HydrophobicContact CG1-CD2 3.98Å; L524-L642 HydrophobicContact CD1-CD1 4.27Å; L524-L642 HydrophobicContact CD2-CD1 3.88Å; L524-L642 HydrophobicContact CD2-CD2 3.95Å; L524-L642 HydrophobicContact CG-CD1 3.85Å; K608-L642 HydrophobicContact CB-CD2 3.86Å; L642-F669 WeakPolarHBondContact O-CD2 3.32Å; L642-C670 HydrophobicContact CB-CB 4.01Å; L642-C670 PolarHBondContact O-N 3.1Å; L642-G671 VanDerWaalsContact CB-O 3.3Å; L642-G671 WeakPolarHBondContact CB-O 3.3Å; L642-G671 PolarHBondContact N-O 3Å; L642-V673 HydrophobicContact CD1-CB 4.27Å; L642-V673 HydrophobicContact CD2-CG1 3.99Å; L642-V673 HydrophobicContact CG-CG1 4.36Å
643G93.7Very high87Confident0 Ų052.6 Ų52.60%026%0.261CS..EExtended strand (participates in β ladder)trans-147.2155.7176.700000112.9V523 V607 I667 H668V523-G643 WeakPolarHBondContact CG2-O 3.49Å; V607-G643 PolarHBondContact N-O 3.07Å; V607-G643 PolarHBondContact O-N 3.14Å; G643-I667 VanDerWaalsContact C-CG2 3.43Å; G643-I667 VanDerWaalsContact CA-CG2 3.43Å; G643-H668 CarbonylContact C-O 3.58Å; G643-H668 WeakPolarHBondContact CA-O 3.43Å
644Q93.9Very high87Confident26 Ų2657 Ų5712%0.12128%0.28CS..EExtended strand (participates in β ladder)trans-137.6141.3-177-175.1178.630.300110.6V523 L604 V605 I667 H668 C670V523-Q644 HydrophobicContact CG2-CB 3.98Å; L604-Q644 HydrophobicContact CD1-CG 3.4Å; L604-Q644 HydrophobicContact CD2-CG 4.21Å; L604-Q644 HydrophobicContact CG-CG 4Å; V605-Q644 CarbonylContact O-C 3.38Å; V605-Q644 VanDerWaalsContact O-CA 3.32Å; V605-Q644 WeakPolarHBondContact O-CA 3.3Å; Q644-I667 VanDerWaalsContact N-CG2 3.25Å; Q644-H668 PolarHBondContact N-O 3.49Å; Q644-H668 PolarHBondContact O-N 3.35Å; Q644-C670 WeakPolarHBondContact CB-SG 3.48Å
645K93.4Very high86.8Confident30 Ų3053.2 Ų53.213%0.1327%0.266CS..EExtended strand (participates in β ladder)trans-135.1133.8173171.1-172.2-163.8166.80110L604 V605 L647 S662 S665 D666L604-K645 WeakPolarHBondContact CD1-O 3.37Å; V605-K645 HydrophobicContact CB-CB 4.09Å; V605-K645 PolarHBondContact N-O 2.85Å; V605-K645 PolarHBondContact O-N 2.72Å; K645-L647 HydrophobicContact CD-CD2 4.27Å; K645-S662 PolarHBondContact NZ-O 3.32Å; K645-S665 VanDerWaalsContact CD-O 3.25Å; K645-S665 WeakPolarHBondContact CD-O 3.17Å; K645-S665 WeakPolarHBondContact CE-O 3.48Å; K645-S665 PolarHBondContact NZ-O 2.99Å; K645-S665 PolarHBondContact NZ-OG 2.84Å; K645-D666 IonicContact NZ-OD2 3.52Å
646T91Very high86.5Confident98 Ų9855.3 Ų55.360%0.60127%0.274SS*.EExtended strand (participates in β ladder)trans-95.9121179.4-56.60000109.7
647L87.1Confident86.6Confident47 Ų4760.1 Ų60.125%0.24630%0.297CS..EExtended strand (participates in β ladder)trans-95.4-14.7180-67.3175.3000113.2V590 Y603 V605 K645 L650 L658V590-L647 HydrophobicContact CG1-CD1 4.5Å; Y603-L647 PolarHBondContact O-N 2.87Å; V605-L647 HydrophobicContact CG2-CD1 3.43Å; V605-L647 VanDerWaalsContact CG2-CD1 3.43Å; V605-L647 HydrophobicContact CG2-CD2 4.36Å; V605-L647 HydrophobicContact CG2-CG 3.76Å; K645-L647 HydrophobicContact CD-CD2 4.27Å; L647-L650 HydrophobicContact CB-CD1 3.98Å; L647-L650 HydrophobicContact CD1-CD1 4.12Å; L647-L658 HydrophobicContact CD1-CD1 3.94Å
648G85.8Confident86.5Confident23 Ų2361.5 Ų61.524%0.23730%0.304CS..EExtended strand (participates in β ladder)trans76.3-143.4-177.700000112.6N602 Y603N602-G648 WeakPolarHBondContact CA-O 3.29Å; Y603-G648 PolarHBondContact N-O 2.77Å; Y603-G648 PolarHBondContact O-N 3.02Å
649Q83.6Confident86.4Confident119 Ų11961.7 Ų61.756%0.55631%0.314SS*.SBendtrans-93.8121.9-177.2-63.8178.9-3.700110.5D600 N602D600-Q649 HydrophobicContact CB-CG 4.45Å; D600-Q649 VanDerWaalsContact CB-NE2 3.33Å; D600-Q649 PolarHBondContact OD2-NE2 2.71Å; N602-Q649 WeakPolarHBondContact OD1-CG 3.35Å
650L83Confident86.3Confident52 Ų5263.4 Ų63.427%0.27232%0.318SS..  trans-131.3156.9178.4-67.6174.1000110.6Y603 L647 V655 L658Y603-L650 HydrophobicContact CD2-CB 3.84Å; Y603-L650 HydrophobicContact CE2-CB 4.07Å; Y603-L650 WeakPolarHBondContact CE2-O 3.36Å; L647-L650 HydrophobicContact CB-CD1 3.98Å; L647-L650 HydrophobicContact CD1-CD1 4.12Å; L650-V655 HydrophobicContact CB-CG2 3.86Å; L650-V655 HydrophobicContact CD1-CG2 4.25Å; L650-L658 HydrophobicContact CD1-CD1 4.45Å
651T81.6Confident86Confident77 Ų7769.7 Ų69.747%0.47235%0.347SS..  trans-80.5156.6170.467.60000111.2E653 Q654 V655T651-E653 PolarHBondContact O-N 3.35Å; T651-Q654 PolarHBondContact O-N 3.45Å; T651-Q654 VanDerWaalsContact OG1-CG 3.26Å; T651-Q654 WeakPolarHBondContact OG1-CG 3.21Å; T651-Q654 PolarHBondContact OG1-N 2.93Å; T651-Q654 PolarHBondContact OG1-OE1 2.8Å; T651-V655 WeakPolarHBondContact O-CG2 3.39Å; T651-V655 PolarHBondContact O-N 3.24Å
652H77.1Confident85.8Confident117 Ų11772 Ų7254%0.54236%0.362SS..Hα-helixtrans-58.2-32.7177.4-83.2-78.3000113.4R601 R656R601-H652 PolarHBondContact NH1-CE1 2.92Å; R601-H652 PolarHBondContact NH1-NE2 2.88Å; R601-H652 VanDerWaalsContact NH1-NE2 3.12Å; H652-R656 PolarHBondContact O-N 3.14Å
653E79.3Confident85.5Confident142 Ų14272 Ų7266%0.66436%0.363SS*.Hα-helixtrans-69.5-46.4177.2-66.7-179.116800111.4T651 V655 R656 D657T651-E653 PolarHBondContact O-N 3.35Å; E653-V655 VanDerWaalsContact C-N 3.26Å; E653-V655 PolarHBondContact O-N 3.35Å; E653-R656 PolarHBondContact O-N 3.28Å; E653-R656 VanDerWaalsContact O-N 3.14Å; E653-D657 PolarHBondContact O-N 3.04Å
654Q83.2Confident85.3Confident102 Ų10272.2 Ų72.248%0.47736%0.364SS..Hα-helixtrans-58.9-39.7176.3-74170.6-21.100112T651 R656 D657 L658T651-Q654 PolarHBondContact O-N 3.45Å; T651-Q654 VanDerWaalsContact OG1-CG 3.26Å; T651-Q654 WeakPolarHBondContact OG1-CG 3.21Å; T651-Q654 PolarHBondContact OG1-N 2.93Å; T651-Q654 PolarHBondContact OG1-OE1 2.8Å; Q654-R656 VanDerWaalsContact C-N 3.35Å; Q654-D657 PolarHBondContact O-N 2.93Å; Q654-L658 WeakPolarHBondContact O-CG 3.29Å; Q654-L658 PolarHBondContact O-N 3.27Å
655V80.4Confident85.1Confident6 Ų672.9 Ų72.94%0.03637%0.372CS..Hα-helixtrans-63.5-41.6178.21740000111C575 Q576 V590 Y603 L650 T651 E653 D657 L658C575-V655 HydrophobicContact CB-CG1 4.21Å; Q576-V655 PolarHBondContact OE1-O 2.98Å; V590-V655 HydrophobicContact CG1-CG1 4.18Å; Y603-V655 HydrophobicContact CD1-CG1 4.44Å; Y603-V655 HydrophobicContact CD1-CG2 3.76Å; Y603-V655 HydrophobicContact CD2-CG2 4.34Å; Y603-V655 HydrophobicContact CE1-CB 4.36Å; Y603-V655 HydrophobicContact CE1-CG1 4.15Å; Y603-V655 HydrophobicContact CE1-CG2 3.45Å; Y603-V655 VanDerWaalsContact CE1-CG2 3.45Å; Y603-V655 HydrophobicContact CE2-CG2 4.09Å; Y603-V655 HydrophobicContact CG-CG2 4.17Å; L650-V655 HydrophobicContact CB-CG2 3.86Å; L650-V655 HydrophobicContact CD1-CG2 4.25Å; T651-V655 WeakPolarHBondContact O-CG2 3.39Å; T651-V655 PolarHBondContact O-N 3.24Å; E653-V655 VanDerWaalsContact C-N 3.26Å; E653-V655 PolarHBondContact O-N 3.35Å; V655-D657 VanDerWaalsContact C-N 3.29Å; V655-D657 PolarHBondContact O-N 3.2Å; V655-L658 WeakPolarHBondContact O-CB 3.32Å; V655-L658 WeakPolarHBondContact O-CG 3.36Å; V655-L658 PolarHBondContact O-N 3.19Å
656R77.4Confident85Confident178 Ų17876.2 Ų76.267%0.67239%0.391SS*.Hα-helixtrans-66.7-32.7179.9-170.1-177.166.9-167.6-4112.6H652 E653 Q654 L658H652-R656 PolarHBondContact O-N 3.14Å; E653-R656 PolarHBondContact O-N 3.28Å; E653-R656 VanDerWaalsContact O-N 3.14Å; Q654-R656 VanDerWaalsContact C-N 3.35Å; R656-L658 VanDerWaalsContact C-N 3.28Å
657D82.9Confident85.1Confident114 Ų11471.5 Ų71.561%0.6136%0.362SS*.THydrogen-bonded Turntrans-84.8-1.3-178.6-64.1-12000112.8E653 Q654 V655 T659E653-D657 PolarHBondContact O-N 3.04Å; Q654-D657 PolarHBondContact O-N 2.93Å; V655-D657 VanDerWaalsContact C-N 3.29Å; V655-D657 PolarHBondContact O-N 3.2Å; D657-T659 PolarHBondContact O-N 3.16Å
658L85.5Confident85.4Confident34 Ų3473.8 Ų73.818%0.17837%0.371CS..  trans-60.5126.4174.3-72.3174.1000110.8V590 L647 L650 Q654 V655 R656 V663V590-L658 HydrophobicContact CG2-CD1 4.42Å; L647-L658 HydrophobicContact CD1-CD1 3.94Å; L650-L658 HydrophobicContact CD1-CD1 4.45Å; Q654-L658 WeakPolarHBondContact O-CG 3.29Å; Q654-L658 PolarHBondContact O-N 3.27Å; V655-L658 WeakPolarHBondContact O-CB 3.32Å; V655-L658 WeakPolarHBondContact O-CG 3.36Å; V655-L658 PolarHBondContact O-N 3.19Å; R656-L658 VanDerWaalsContact C-N 3.28Å; L658-V663 HydrophobicContact CB-CG2 3.9Å; L658-V663 HydrophobicContact CD1-CG2 4.15Å; L658-V663 HydrophobicContact CG-CG2 4.45Å
659T85.8Confident85.7Confident82 Ų8273.8 Ų73.850%0.50336%0.364SS..  trans-81.9154.3172.660.40000110.6D657 E661 S662 V663D657-T659 PolarHBondContact O-N 3.16Å; T659-E661 PolarHBondContact O-N 2.96Å; T659-S662 PolarHBondContact O-N 3.07Å; T659-S662 PolarHBondContact O-OG 2.87Å; T659-S662 PolarHBondContact OG1-N 3.26Å; T659-S662 PolarHBondContact OG1-OG 3.48Å; T659-V663 WeakPolarHBondContact O-CG2 3.44Å; T659-V663 PolarHBondContact O-N 3.24Å
660R86.8Confident86Confident54 Ų5468.4 Ų68.420%0.20434%0.34CS..Hα-helixtrans-57.2-39.6176.8-172.6173.1-166.8156.310.8112.1F578 R579 R586 V663 E664F578-R660 HydrophobicContact CB-CG 4.39Å; F578-R660 HydrophobicContact CD1-CB 3.8Å; F578-R660 HydrophobicContact CD1-CG 3.97Å; F578-R660 HydrophobicContact CE1-CB 3.92Å; F578-R660 HydrophobicContact CG-CB 4.46Å; F578-R660 HydrophobicContact CG-CG 4.22Å; R579-R660 PolarHBondContact O-NH2 3.49Å; R586-R660 PolarHBondContact O-NH2 3.37Å; R660-V663 PolarHBondContact O-N 3.42Å; R660-E664 VanDerWaalsContact CG-CD 3.43Å; R660-E664 HydrophobicContact CG-CG 4.25Å; R660-E664 WeakPolarHBondContact CG-OE1 3.2Å; R660-E664 IonicContact CZ-OE1 3.8Å; R660-E664 IonicContact NE-OE1 3.49Å; R660-E664 PolarHBondContact NE-OE1 3.44Å; R660-E664 IonicContact NE-OE2 2.68Å; R660-E664 IonicContact NH2-OE1 2.66Å; R660-E664 WeakPolarHBondContact O-CB 3.37Å; R660-E664 VanDerWaalsContact O-CG 3.28Å; R660-E664 WeakPolarHBondContact O-CG 3.43Å; R660-E664 PolarHBondContact O-N 3.12Å
661E86.8Confident86.4Confident163 Ų16366 Ų6676%0.76233%0.328SS*.Hα-helixtrans-65-39.9-178.9-66172.6-177.600113T659 V663 E664 S665T659-E661 PolarHBondContact O-N 2.96Å; E661-V663 VanDerWaalsContact C-N 3.33Å; E661-E664 PolarHBondContact O-N 3.27Å; E661-S665 PolarHBondContact O-N 3.22Å
662S88.2Confident87Confident47 Ų4762.4 Ų62.433%0.32931%0.305SS..Hα-helixtrans-72.8-29.6179.168.40000112.7K645 T659K645-S662 PolarHBondContact NZ-O 3.32Å; T659-S662 PolarHBondContact O-N 3.07Å; T659-S662 PolarHBondContact O-OG 2.87Å; T659-S662 PolarHBondContact OG1-N 3.26Å; T659-S662 PolarHBondContact OG1-OG 3.48Å
663V88.3Confident87.7Confident1 Ų156.8 Ų56.81%0.00628%0.28CS..Hα-helixtrans-74.6-36.4176.6172.50000110.8F578 V590 V605 L658 T659 R660 E661F578-V663 HydrophobicContact CD2-CG1 4.07Å; F578-V663 HydrophobicContact CE2-CB 4.07Å; F578-V663 HydrophobicContact CE2-CG1 3.94Å; F578-V663 HydrophobicContact CE2-CG2 3.77Å; F578-V663 HydrophobicContact CZ-CG2 4.21Å; V590-V663 HydrophobicContact CG2-CG1 4.2Å; V590-V663 HydrophobicContact CG2-CG2 4.27Å; V605-V663 HydrophobicContact CB-CG1 4.26Å; V605-V663 HydrophobicContact CG1-CG1 3.35Å; V605-V663 HydrophobicContact CG2-CG1 3.87Å; L658-V663 HydrophobicContact CB-CG2 3.9Å; L658-V663 HydrophobicContact CD1-CG2 4.15Å; L658-V663 HydrophobicContact CG-CG2 4.45Å; T659-V663 WeakPolarHBondContact O-CG2 3.44Å; T659-V663 PolarHBondContact O-N 3.24Å; R660-V663 PolarHBondContact O-N 3.42Å; E661-V663 VanDerWaalsContact C-N 3.33Å
664E90.3Very high88.4Confident4 Ų450 Ų502%0.01925%0.248CC..SBendtrans-91.66.4-175.9-66.2176.1172.900114.7R586 S588 M617 R660 E661 I667R586-E664 IonicContact CZ-OE2 2.94Å; R586-E664 VanDerWaalsContact CZ-OE2 3.24Å; R586-E664 IonicContact NE-OE1 3.48Å; R586-E664 IonicContact NE-OE2 3.55Å; R586-E664 PolarHBondContact NE-OE2 2.97Å; R586-E664 IonicContact NH2-OE2 3.49Å; R586-E664 PolarHBondContact NH2-OE2 3.01Å; S588-E664 PolarHBondContact OG-OE1 3.01Å; M617-E664 HydrophobicContact CE-CB 4.29Å; M617-E664 HydrophobicContact SD-CB 4.24Å; M617-E664 VanDerWaalsContact SD-O 3.34Å; R660-E664 VanDerWaalsContact CG-CD 3.43Å; R660-E664 HydrophobicContact CG-CG 4.25Å; R660-E664 WeakPolarHBondContact CG-OE1 3.2Å; R660-E664 IonicContact CZ-OE1 3.8Å; R660-E664 IonicContact NE-OE1 3.49Å; R660-E664 PolarHBondContact NE-OE1 3.44Å; R660-E664 IonicContact NE-OE2 2.68Å; R660-E664 IonicContact NH2-OE1 2.66Å; R660-E664 WeakPolarHBondContact O-CB 3.37Å; R660-E664 VanDerWaalsContact O-CG 3.28Å; R660-E664 WeakPolarHBondContact O-CG 3.43Å; R660-E664 PolarHBondContact O-N 3.12Å; E661-E664 PolarHBondContact O-N 3.27Å; E664-I667 WeakPolarHBondContact O-CD1 3.41Å
665S90.3Very high88.7Confident41 Ų4145.2 Ų45.229%0.28723%0.225SC..SBendtrans-93.3156.4172.682.60000112.2K645 E661 I667K645-S665 VanDerWaalsContact CD-O 3.25Å; K645-S665 WeakPolarHBondContact CD-O 3.17Å; K645-S665 WeakPolarHBondContact CE-O 3.48Å; K645-S665 PolarHBondContact NZ-O 2.99Å; K645-S665 PolarHBondContact NZ-OG 2.84Å; E661-S665 PolarHBondContact O-N 3.22Å; S665-I667 PolarHBondContact O-N 3.02Å
666D91.4Very high89Confident99 Ų9946 Ų4653%0.52923%0.231SC..SBendtrans54.355.1168.2-44.4-61000114M617 V619 K645M617-D666 PolarHBondContact O-N 3Å; V619-D666 VanDerWaalsContact CG2-C 3.42Å; V619-D666 VanDerWaalsContact CG2-CA 3.46Å; V619-D666 HydrophobicContact CG2-CB 3.78Å; K645-D666 IonicContact NZ-OD2 3.52Å
667I92.8Very high89.5Confident0 Ų038.6 Ų38.60%021%0.206CC..BIsolated β-bridgetrans-96.1141-175.8-54.8165.3000110V607 M617 L618 V619 G643 Q644 E664 S665V607-I667 HydrophobicContact CB-CD1 4.03Å; V607-I667 HydrophobicContact CG1-CD1 4.03Å; V607-I667 HydrophobicContact CG2-CD1 3.66Å; V607-I667 HydrophobicContact CG2-CG1 4.28Å; M617-I667 HydrophobicContact CB-CD1 4.07Å; M617-I667 PolarHBondContact O-N 3.46Å; L618-I667 VanDerWaalsContact CA-O 3.29Å; L618-I667 WeakPolarHBondContact CA-O 3.29Å; L618-I667 HydrophobicContact CD2-CB 4.45Å; V619-I667 PolarHBondContact N-O 3.5Å; G643-I667 VanDerWaalsContact C-CG2 3.43Å; G643-I667 VanDerWaalsContact CA-CG2 3.43Å; Q644-I667 VanDerWaalsContact N-CG2 3.25Å; E664-I667 WeakPolarHBondContact O-CD1 3.41Å; S665-I667 PolarHBondContact O-N 3.02Å
668H92.8Very high89.7Confident95 Ų9535.3 Ų35.344%0.4419%0.192SC..EExtended strand (participates in β ladder)trans-90.1134.8169.3-67.6-67.8000111.3G643 Q644 C670G643-H668 CarbonylContact C-O 3.58Å; G643-H668 WeakPolarHBondContact CA-O 3.43Å; Q644-H668 PolarHBondContact N-O 3.49Å; Q644-H668 PolarHBondContact O-N 3.35Å; H668-C670 PolarHBondContact O-SG 3.05Å
669F93.1Very high89.9Confident22 Ų2236.3 Ų36.310%0.09620%0.197CC..EExtended strand (participates in β ladder)trans-69.2133.5-179.5-177.4-122000112.1G501 L618 P622 Y625 A641 L642 G671 F672G501-F669 WeakPolarHBondContact O-CE1 3.36Å; L618-F669 HydrophobicContact CD1-CB 4.19Å; L618-F669 HydrophobicContact CD1-CD2 4.22Å; L618-F669 HydrophobicContact CD1-CG 4.43Å; L618-F669 HydrophobicContact CD2-CB 3.93Å; L618-F669 HydrophobicContact CD2-CD2 4.5Å; P622-F669 HydrophobicContact CG-CD1 3.62Å; P622-F669 HydrophobicContact CG-CE1 3.67Å; Y625-F669 HydrophobicContact CD2-CD2 4.32Å; Y625-F669 HydrophobicContact CD2-CE1 4.25Å; Y625-F669 HydrophobicContact CD2-CE2 4.03Å; Y625-F669 AromaticContact CD2-CZ 3.98Å; Y625-F669 HydrophobicContact CD2-CZ 3.98Å; Y625-F669 AromaticContact CE2-CD2 3.8Å; Y625-F669 HydrophobicContact CE2-CD2 3.8Å; Y625-F669 AromaticContact CE2-CE2 3.51Å; Y625-F669 HydrophobicContact CE2-CE2 3.51Å; Y625-F669 HydrophobicContact CE2-CG 4.46Å; Y625-F669 AromaticContact CE2-CZ 3.92Å; Y625-F669 HydrophobicContact CE2-CZ 3.92Å; A641-F669 HydrophobicContact CB-CE2 4.42Å; L642-F669 WeakPolarHBondContact O-CD2 3.32Å; F669-G671 WeakPolarHBondContact CE2-O 3.47Å; F669-G671 VanDerWaalsContact CZ-C 3.46Å; F669-F672 HydrophobicContact CE1-CE2 4.39Å; F669-F672 HydrophobicContact CE2-CD1 4.23Å; F669-F672 HydrophobicContact CE2-CD2 4.47Å; F669-F672 HydrophobicContact CE2-CE1 4.02Å; F669-F672 HydrophobicContact CE2-CE2 4.27Å; F669-F672 HydrophobicContact CE2-CG 4.44Å; F669-F672 HydrophobicContact CE2-CZ 4.05Å; F669-F672 HydrophobicContact CZ-CD1 4.24Å; F669-F672 AromaticContact CZ-CD2 3.69Å; F669-F672 HydrophobicContact CZ-CD2 3.69Å; F669-F672 HydrophobicContact CZ-CE1 4.11Å; F669-F672 AromaticContact CZ-CE2 3.55Å; F669-F672 HydrophobicContact CZ-CE2 3.55Å; F669-F672 HydrophobicContact CZ-CG 4.04Å; F669-F672 AromaticContact CZ-CZ 3.78Å; F669-F672 HydrophobicContact CZ-CZ 3.78Å
670C90.4Very high90.1Very high7 Ų733.1 Ų33.15%0.04718%0.176CC..EExtended strand (participates in β ladder)trans-121.717.9-176.1-66.20000113.1T520 L642 Q644 H668T520-C670 PolarHBondContact OG1-O 2.93Å; L642-C670 HydrophobicContact CB-CB 4.01Å; L642-C670 PolarHBondContact O-N 3.1Å; Q644-C670 WeakPolarHBondContact CB-SG 3.48Å; H668-C670 PolarHBondContact O-SG 3.05Å
671G91.4Very high90.1Very high1 Ų135.7 Ų35.71%0.0120%0.199CC..EExtended strand (participates in β ladder)trans96.4177.2-18000000114.3T500 L642 F669T500-G671 CarbonylContact O-C 3.53Å; T500-G671 WeakPolarHBondContact O-CA 3.39Å; L642-G671 VanDerWaalsContact CB-O 3.3Å; L642-G671 WeakPolarHBondContact CB-O 3.3Å; L642-G671 PolarHBondContact N-O 3Å; F669-G671 WeakPolarHBondContact CE2-O 3.47Å; F669-G671 VanDerWaalsContact CZ-C 3.46Å
672F92.8Very high90.2Very high1 Ų131.1 Ų31.10%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-109.2126.5177.1-67-66.5000110.7V499 T500 P611 Y625 A628 Y629 V639 L640 A641 F669 I674V499-F672 CarbonylContact C-O 3.46Å; V499-F672 WeakPolarHBondContact CA-O 3.47Å; V499-F672 WeakPolarHBondContact CG1-O 3.24Å; T500-F672 HydrophobicContact CG2-CB 3.85Å; T500-F672 HydrophobicContact CG2-CD2 4.31Å; T500-F672 PolarHBondContact N-O 3.18Å; T500-F672 PolarHBondContact O-N 2.66Å; P611-F672 HydrophobicContact CB-CE1 3.86Å; P611-F672 HydrophobicContact CG-CD1 4.28Å; P611-F672 HydrophobicContact CG-CE1 3.88Å; Y625-F672 HydrophobicContact CD1-CZ 4.03Å; Y625-F672 HydrophobicContact CD2-CE1 4.33Å; Y625-F672 HydrophobicContact CD2-CE2 4.06Å; Y625-F672 AromaticContact CD2-CZ 3.45Å; Y625-F672 HydrophobicContact CD2-CZ 3.45Å; Y625-F672 VanDerWaalsContact CD2-CZ 3.45Å; Y625-F672 HydrophobicContact CE1-CE1 4.3Å; Y625-F672 AromaticContact CE1-CZ 3.89Å; Y625-F672 HydrophobicContact CE1-CZ 3.89Å; Y625-F672 AromaticContact CE2-CE1 3.71Å; Y625-F672 HydrophobicContact CE2-CE1 3.71Å; Y625-F672 HydrophobicContact CE2-CE2 4.24Å; Y625-F672 AromaticContact CE2-CZ 3.29Å; Y625-F672 HydrophobicContact CE2-CZ 3.29Å; Y625-F672 HydrophobicContact CG-CE2 4.44Å; Y625-F672 AromaticContact CG-CZ 3.84Å; Y625-F672 HydrophobicContact CG-CZ 3.84Å; Y625-F672 AromaticContact CZ-CE1 3.71Å; Y625-F672 AromaticContact CZ-CZ 3.54Å; A628-F672 HydrophobicContact CB-CD2 4.35Å; A628-F672 HydrophobicContact CB-CE2 4.02Å; Y629-F672 HydrophobicContact CD1-CZ 4.32Å; V639-F672 HydrophobicContact CG1-CB 3.81Å; V639-F672 HydrophobicContact CG1-CD1 3.69Å; V639-F672 HydrophobicContact CG1-CE1 4.48Å; V639-F672 HydrophobicContact CG1-CG 3.89Å; L640-F672 CarbonylContact O-C 3.55Å; L640-F672 VanDerWaalsContact O-CA 3.3Å; L640-F672 WeakPolarHBondContact O-CA 3.48Å; A641-F672 HydrophobicContact CB-CD1 3.95Å; A641-F672 HydrophobicContact CB-CE1 3.76Å; F669-F672 HydrophobicContact CE1-CE2 4.39Å; F669-F672 HydrophobicContact CE2-CD1 4.23Å; F669-F672 HydrophobicContact CE2-CD2 4.47Å; F669-F672 HydrophobicContact CE2-CE1 4.02Å; F669-F672 HydrophobicContact CE2-CE2 4.27Å; F669-F672 HydrophobicContact CE2-CG 4.44Å; F669-F672 HydrophobicContact CE2-CZ 4.05Å; F669-F672 HydrophobicContact CZ-CD1 4.24Å; F669-F672 AromaticContact CZ-CD2 3.69Å; F669-F672 HydrophobicContact CZ-CD2 3.69Å; F669-F672 HydrophobicContact CZ-CE1 4.11Å; F669-F672 AromaticContact CZ-CE2 3.55Å; F669-F672 HydrophobicContact CZ-CE2 3.55Å; F669-F672 HydrophobicContact CZ-CG 4.04Å; F669-F672 AromaticContact CZ-CZ 3.78Å; F669-F672 HydrophobicContact CZ-CZ 3.78Å; F672-I674 HydrophobicContact CB-CD1 4.32Å
673V93.2Very high90.4Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-86.2129.8168.960.70000109.9V496 L524 M547 L640 L642 I675V496-V673 HydrophobicContact CG1-CG2 3.78Å; L524-V673 HydrophobicContact CD2-CB 4.09Å; L524-V673 HydrophobicContact CD2-CG1 4.2Å; L524-V673 HydrophobicContact CD2-CG2 4.1Å; M547-V673 HydrophobicContact CE-CG1 4.12Å; L640-V673 HydrophobicContact CB-CG1 3.7Å; L640-V673 HydrophobicContact CD1-CG1 4.34Å; L640-V673 HydrophobicContact CG-CG1 4.43Å; L640-V673 PolarHBondContact N-O 2.83Å; L640-V673 VanDerWaalsContact N-O 3.12Å; L640-V673 PolarHBondContact O-N 2.87Å; L642-V673 HydrophobicContact CD1-CB 4.27Å; L642-V673 HydrophobicContact CD2-CG1 3.99Å; L642-V673 HydrophobicContact CG-CG1 4.36Å; V673-I675 HydrophobicContact CG1-CD1 4.42Å; V673-I675 HydrophobicContact CG2-CG1 4.16Å
674I92.3Very high90.6Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-104.7123.7-177.1-55.6-50.9000108.6E497 G498 T500 L510 M632 A637 V639 F672E497-I674 HydrophobicContact CB-CB 4.47Å; E497-I674 HydrophobicContact CB-CG2 4.19Å; E497-I674 HydrophobicContact CG-CG2 4.4Å; E497-I674 PolarHBondContact N-O 2.81Å; E497-I674 WeakPolarHBondContact OE2-CG2 3.43Å; G498-I674 PolarHBondContact O-N 2.85Å; T500-I674 HydrophobicContact CG2-CD1 3.89Å; T500-I674 HydrophobicContact CG2-CG1 3.99Å; L510-I674 HydrophobicContact CD1-CB 3.98Å; L510-I674 HydrophobicContact CD1-CG1 3.85Å; M632-I674 HydrophobicContact CB-CD1 3.7Å; M632-I674 HydrophobicContact CG-CD1 3.76Å; M632-I674 HydrophobicContact CG-CG1 4.31Å; A637-I674 HydrophobicContact CB-CG2 3.38Å; V639-I674 HydrophobicContact CB-CD1 4.34Å; V639-I674 HydrophobicContact CG1-CD1 3.88Å; V639-I674 HydrophobicContact CG2-CD1 3.9Å; F672-I674 HydrophobicContact CB-CD1 4.32Å
675I90.3Very high90.6Very high0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-128.7126.2-172.3-54.2165.5000108V494 V495 M543 M547 A637 R638 L640 V673V494-I675 HydrophobicContact CG1-CG2 3.11Å; V495-I675 WeakPolarHBondContact O-CA 3.4Å; M543-I675 HydrophobicContact CG-CD1 3.77Å; M543-I675 HydrophobicContact SD-CD1 3.65Å; M547-I675 HydrophobicContact CE-CD1 3.26Å; M547-I675 HydrophobicContact CE-CG1 4.29Å; A637-I675 CarbonylContact C-O 3.58Å; A637-I675 WeakPolarHBondContact CA-O 3.28Å; R638-I675 HydrophobicContact CB-CB 4.13Å; R638-I675 PolarHBondContact N-O 3.46Å; R638-I675 PolarHBondContact O-N 3.32Å; L640-I675 HydrophobicContact CD1-CD1 3.82Å; L640-I675 HydrophobicContact CG-CD1 4.28Å; V673-I675 HydrophobicContact CG1-CD1 4.42Å; V673-I675 HydrophobicContact CG2-CG1 4.16Å
676S87.6Confident90.7Very high23 Ų2333.2 Ų33.216%0.16119%0.191CC..EExtended strand (participates in β ladder)trans-120.4153.2176.861.60000111.5V495 E497V495-S676 PolarHBondContact N-O 3.34Å; V495-S676 PolarHBondContact O-N 2.95Å; E497-S676 VanDerWaalsContact CD-OG 3.28Å; E497-S676 VanDerWaalsContact CG-OG 3.25Å; E497-S676 WeakPolarHBondContact CG-OG 3.25Å; E497-S676 WeakPolarHBondContact OE1-CB 3.46Å; E497-S676 PolarHBondContact OE1-OG 3.43Å
677C86.2Confident90.8Very high22 Ų2228.5 Ų28.515%0.14917%0.166CC..  trans-109113.1168.1-620000106T490T490-C677 HydrophobicContact CG2-CB 4.33Å
678P88.3Confident90.8Very high46 Ų4632.3 Ų32.330%0.29919%0.186SC..PPolyproline II helixtrans-63.7150.4-178.526.1-32000110.8T490 E491 I493T490-P678 CarbonylContact C-O 3.54Å; T490-P678 VanDerWaalsContact CA-O 3.27Å; T490-P678 WeakPolarHBondContact CA-O 3.19Å; T490-P678 VanDerWaalsContact CB-O 3.29Å; T490-P678 WeakPolarHBondContact CB-O 3.26Å; E491-P678 HydrophobicContact CB-CG 4.21Å; E491-P678 HydrophobicContact CG-CG 4.46Å; E491-P678 PolarHBondContact N-O 2.96Å; I493-P678 WeakPolarHBondContact O-CD 3.46Å
679L89.6Confident90.7Very high55 Ų5531.2 Ų31.229%0.28818%0.184SC..BIsolated β-bridgetrans-72.9142.6173.3-72.4167.1000110.1T490 V711 I714 V715T490-L679 HydrophobicContact CG2-CD2 3.9Å; L679-V711 HydrophobicContact CD2-CG1 3.97Å; L679-I714 HydrophobicContact CD1-CB 4.11Å; L679-I714 HydrophobicContact CD1-CD1 4.44Å; L679-I714 HydrophobicContact CD1-CG2 3.42Å; L679-I714 VanDerWaalsContact CD1-CG2 3.42Å; L679-V715 HydrophobicContact CD1-CG2 4.12Å; L679-V715 HydrophobicContact CD2-CG2 3.61Å
680K89.7Confident90.7Very high14 Ų1430.1 Ų30.16%0.06118%0.179CC..PPolyproline II helixtrans-65.2142.9169.1-63-179.4-176.3166.80109.4G487 T488 L489 T490 E491 D682 S683 S934G487-K680 PolarHBondContact O-NZ 3.32Å; T488-K680 WeakPolarHBondContact O-CD 3.23Å; T488-K680 WeakPolarHBondContact O-CE 3.07Å; T488-K680 PolarHBondContact O-NZ 2.93Å; L489-K680 PolarHBondContact O-N 3.46Å; T490-K680 VanDerWaalsContact O-CE 3.3Å; T490-K680 WeakPolarHBondContact O-CE 3.4Å; E491-K680 HydrophobicContact CG-CG 3.82Å; K680-D682 PolarHBondContact O-N 2.78Å; K680-S683 WeakPolarHBondContact O-CB 3.15Å; K680-S683 PolarHBondContact O-N 2.93Å; K680-S683 VanDerWaalsContact O-N 3.17Å; K680-S934 WeakPolarHBondContact CD-O 3.36Å; K680-S934 WeakPolarHBondContact CE-O 3.04Å; K680-S934 PolarHBondContact NZ-O 2.75Å
681P87.1Confident90.6Very high108 Ų10833 Ų3370%0.70120%0.199SC*.THydrogen-bonded Turntrans-59.3-33.5-17522.6-33.7000113.1
682D89.1Confident90.5Very high68 Ų6839.6 Ų39.636%0.36423%0.225SC..THydrogen-bonded Turntrans-86.2-14.6-176.1-57.4-29.8000113.8K680 L684 A685 V686 S935K680-D682 PolarHBondContact O-N 2.78Å; D682-L684 VanDerWaalsContact C-N 3.29Å; D682-L684 PolarHBondContact O-N 2.88Å; D682-A685 PolarHBondContact O-N 2.93Å; D682-A685 VanDerWaalsContact O-N 3.16Å; D682-V686 WeakPolarHBondContact O-CG2 3.28Å; D682-V686 PolarHBondContact O-N 2.95Å; D682-S935 VanDerWaalsContact CB-OG 3.3Å; D682-S935 WeakPolarHBondContact CB-OG 3.31Å; D682-S935 VanDerWaalsContact OD2-CB 3.29Å; D682-S935 WeakPolarHBondContact OD2-CB 3.27Å; D682-S935 PolarHBondContact OD2-OG 2.99Å
683S92.1Very high90.2Very high1 Ų139.5 Ų39.51%0.00722%0.224CC..Hα-helixtrans-57-41.7-172.4-70.60000112.6L489 K680 I687L489-S683 PolarHBondContact O-OG 3.05Å; K680-S683 WeakPolarHBondContact O-CB 3.15Å; K680-S683 PolarHBondContact O-N 2.93Å; K680-S683 VanDerWaalsContact O-N 3.17Å; S683-I687 WeakPolarHBondContact O-CG1 3.26Å; S683-I687 PolarHBondContact O-N 3.08Å; S683-I687 VanDerWaalsContact O-N 3.08Å
684L91.6Very high89.8Confident87 Ų8740.8 Ų40.846%0.45523%0.233SC..Hα-helixtrans-65.6-46.5179.9-163.9167.3000110.9D682 V686 I687 N688D682-L684 VanDerWaalsContact C-N 3.29Å; D682-L684 PolarHBondContact O-N 2.88Å; L684-V686 PolarHBondContact O-N 3.39Å; L684-I687 PolarHBondContact O-N 2.84Å; L684-N688 WeakPolarHBondContact CD2-ND2 3.38Å; L684-N688 WeakPolarHBondContact O-CB 3.33Å; L684-N688 PolarHBondContact O-N 3.28Å
685A91.6Very high89.7Confident49 Ų4941.3 Ų41.341%0.40524%0.236SC..Hα-helixtrans-61.9-43.9178.800000111.7D682 N688 D689D682-A685 PolarHBondContact O-N 2.93Å; D682-A685 VanDerWaalsContact O-N 3.16Å; A685-N688 PolarHBondContact O-N 3.21Å; A685-D689 PolarHBondContact O-N 3.29Å
686V91.9Very high89.7Confident0 Ų042.6 Ų42.60%024%0.242CC..Hα-helixtrans-63-46.7179.5171.10000111.8D682 L684 N688 D689 L690 P936 I937D682-V686 WeakPolarHBondContact O-CG2 3.28Å; D682-V686 PolarHBondContact O-N 2.95Å; L684-V686 PolarHBondContact O-N 3.39Å; V686-N688 VanDerWaalsContact C-N 3.31Å; V686-N688 PolarHBondContact O-N 3.47Å; V686-D689 PolarHBondContact O-N 3.28Å; V686-L690 HydrophobicContact CG1-CD1 3.94Å; V686-L690 HydrophobicContact CG1-CG 4.43Å; V686-L690 WeakPolarHBondContact O-CB 3.34Å; V686-L690 VanDerWaalsContact O-CG 3.24Å; V686-L690 WeakPolarHBondContact O-CG 3.31Å; V686-L690 PolarHBondContact O-N 3.04Å; V686-P936 HydrophobicContact CB-CG 4.41Å; V686-P936 HydrophobicContact CG1-CB 4.22Å; V686-P936 HydrophobicContact CG2-CG 4.22Å; V686-I937 HydrophobicContact CG2-CB 4.12Å; V686-I937 HydrophobicContact CG2-CD1 3.9Å
687I93.8Very high90.1Very high0 Ų042.1 Ų42.10%024%0.237CC..Hα-helixtrans-65.7-36.7178.7-66.6-41.1000111.1F483 L489 S683 L684 L690 S691 I697 V715 I717F483-I687 HydrophobicContact CD2-CD1 3.9Å; F483-I687 HydrophobicContact CE1-CD1 4.48Å; F483-I687 HydrophobicContact CE2-CD1 3.53Å; F483-I687 HydrophobicContact CZ-CD1 3.87Å; L489-I687 HydrophobicContact CD2-CD1 4.33Å; L489-I687 HydrophobicContact CD2-CG1 4.3Å; S683-I687 WeakPolarHBondContact O-CG1 3.26Å; S683-I687 PolarHBondContact O-N 3.08Å; S683-I687 VanDerWaalsContact O-N 3.08Å; L684-I687 PolarHBondContact O-N 2.84Å; I687-L690 HydrophobicContact CD1-CD1 4.2Å; I687-L690 PolarHBondContact O-N 2.84Å; I687-S691 VanDerWaalsContact O-CB 3.26Å; I687-S691 WeakPolarHBondContact O-CB 3.25Å; I687-S691 PolarHBondContact O-N 3.34Å; I687-I697 HydrophobicContact CB-CD1 4.45Å; I687-I697 HydrophobicContact CD1-CD1 4.37Å; I687-I697 HydrophobicContact CD1-CG2 4.03Å; I687-I697 HydrophobicContact CG2-CD1 3.72Å; I687-I697 WeakPolarHBondContact O-CD1 3.5Å; I687-V715 HydrophobicContact CB-CG1 3.67Å; I687-V715 HydrophobicContact CG1-CG1 3.27Å; I687-V715 HydrophobicContact CG2-CG1 4Å; I687-V715 VanDerWaalsContact CG2-O 3.32Å; I687-V715 WeakPolarHBondContact CG2-O 3.43Å; I687-I717 HydrophobicContact CG2-CG1 4Å
688N92.3Very high90.4Very high79 Ų7941.3 Ų41.342%0.42223%0.231SC..Hα-helixtrans-63.1-44.9173.4-78.8-10.7000112.6L684 A685 V686 L690 S691 Y692L684-N688 WeakPolarHBondContact CD2-ND2 3.38Å; L684-N688 WeakPolarHBondContact O-CB 3.33Å; L684-N688 PolarHBondContact O-N 3.28Å; A685-N688 PolarHBondContact O-N 3.21Å; V686-N688 VanDerWaalsContact C-N 3.31Å; V686-N688 PolarHBondContact O-N 3.47Å; N688-L690 VanDerWaalsContact C-N 3.33Å; N688-L690 PolarHBondContact O-N 2.76Å; N688-S691 PolarHBondContact O-N 3.38Å; N688-Y692 WeakPolarHBondContact O-CB 3.43Å; N688-Y692 PolarHBondContact O-N 2.89Å
689D91.4Very high90.8Very high72 Ų7239.1 Ų39.139%0.38522%0.217SC..Hα-helixtrans-63.9-38.9177.3-75.2-13.9000111.8A685 V686 Y692 S693A685-D689 PolarHBondContact O-N 3.29Å; V686-D689 PolarHBondContact O-N 3.28Å; D689-Y692 PolarHBondContact O-N 3.04Å; D689-S693 VanDerWaalsContact O-CB 3.31Å; D689-S693 WeakPolarHBondContact O-CB 3.5Å; D689-S693 PolarHBondContact O-N 3.43Å; D689-S693 PolarHBondContact O-OG 3.29Å
690L91.9Very high91Very high0 Ų036.6 Ų36.60%020%0.204CC..Hα-helixtrans-68-38.6176-70.1176.2000112.4F483 V686 I687 N688 S693 S694 H695 I697 V939 I943 L1009F483-L690 HydrophobicContact CE2-CD1 3.73Å; F483-L690 HydrophobicContact CZ-CD1 3.48Å; F483-L690 VanDerWaalsContact CZ-CD1 3.48Å; V686-L690 HydrophobicContact CG1-CD1 3.94Å; V686-L690 HydrophobicContact CG1-CG 4.43Å; V686-L690 WeakPolarHBondContact O-CB 3.34Å; V686-L690 VanDerWaalsContact O-CG 3.24Å; V686-L690 WeakPolarHBondContact O-CG 3.31Å; V686-L690 PolarHBondContact O-N 3.04Å; I687-L690 HydrophobicContact CD1-CD1 4.2Å; I687-L690 PolarHBondContact O-N 2.84Å; N688-L690 VanDerWaalsContact C-N 3.33Å; N688-L690 PolarHBondContact O-N 2.76Å; L690-S693 VanDerWaalsContact CA-OG 3.26Å; L690-S693 WeakPolarHBondContact CA-OG 3.47Å; L690-S693 PolarHBondContact O-N 3.44Å; L690-S693 PolarHBondContact O-OG 3.4Å; L690-S694 PolarHBondContact O-N 3.09Å; L690-H695 PolarHBondContact O-N 3.27Å; L690-H695 PolarHBondContact O-ND1 3.19Å; L690-I697 HydrophobicContact CB-CD1 3.57Å; L690-I697 HydrophobicContact CB-CG1 4.2Å; L690-V939 HydrophobicContact CD1-CG1 4.28Å; L690-I943 HydrophobicContact CD2-CD1 3.39Å; L690-L1009 HydrophobicContact CD2-CD2 4.2Å
691S89.3Confident91.1Very high67 Ų6736 Ų3647%0.46920%0.202SC..Hα-helixtrans-66.7-44.8174.9-175.80000110.7I687 N688 S693 S694I687-S691 VanDerWaalsContact O-CB 3.26Å; I687-S691 WeakPolarHBondContact O-CB 3.25Å; I687-S691 PolarHBondContact O-N 3.34Å; N688-S691 PolarHBondContact O-N 3.38Å; S691-S693 VanDerWaalsContact C-N 3.32Å; S691-S693 PolarHBondContact O-N 2.66Å; S691-S694 WeakPolarHBondContact O-CA 3.46Å; S691-S694 PolarHBondContact O-N 3Å
692Y88.7Confident91.1Very high139 Ų13933.1 Ų33.155%0.54519%0.192SC..Hα-helixtrans-60.5-40.7175.8178.2-103.4000112.5N688 D689 S694 K1011N688-Y692 WeakPolarHBondContact O-CB 3.43Å; N688-Y692 PolarHBondContact O-N 2.89Å; D689-Y692 PolarHBondContact O-N 3.04Å; Y692-S694 PolarHBondContact O-N 2.96Å; Y692-S694 VanDerWaalsContact O-N 3.15Å; Y692-K1011 HydrophobicContact CE1-CB 3.99Å; Y692-K1011 HydrophobicContact CE2-CD 4.41Å
693S87.2Confident91Very high0 Ų030.9 Ų30.90%018%0.18CC..THydrogen-bonded Turntrans-78.312.8176.159.50000114.4D689 L690 S691 H695 R947 L1009 S1010D689-S693 VanDerWaalsContact O-CB 3.31Å; D689-S693 WeakPolarHBondContact O-CB 3.5Å; D689-S693 PolarHBondContact O-N 3.43Å; D689-S693 PolarHBondContact O-OG 3.29Å; L690-S693 VanDerWaalsContact CA-OG 3.26Å; L690-S693 WeakPolarHBondContact CA-OG 3.47Å; L690-S693 PolarHBondContact O-N 3.44Å; L690-S693 PolarHBondContact O-OG 3.4Å; S691-S693 VanDerWaalsContact C-N 3.32Å; S691-S693 PolarHBondContact O-N 2.66Å; S693-H695 VanDerWaalsContact C-N 3.34Å; S693-H695 PolarHBondContact O-N 2.67Å; S693-H695 PolarHBondContact OG-CE1 3.31Å; S693-H695 PolarHBondContact OG-ND1 3.01Å; S693-R947 PolarHBondContact O-NH2 3.34Å; S693-L1009 WeakPolarHBondContact OG-CD2 3.34Å; S693-S1010 WeakPolarHBondContact CB-O 3.24Å
694S83.6Confident90.7Very high26 Ų2633.3 Ų33.318%0.18219%0.192CC..THydrogen-bonded Turntrans62.831172-51.20000114.2L690 S691 Y692 R1013L690-S694 PolarHBondContact O-N 3.09Å; S691-S694 WeakPolarHBondContact O-CA 3.46Å; S691-S694 PolarHBondContact O-N 3Å; Y692-S694 PolarHBondContact O-N 2.96Å; Y692-S694 VanDerWaalsContact O-N 3.15Å; S694-R1013 PolarHBondContact O-NH2 3.24Å
695H90.6Very high90.6Very high12 Ų1229.9 Ų29.96%0.05618%0.175CC..  trans-84.3143170.1-57.793.1000110.2I478 L690 S693 R947I478-H695 PolarHBondContact O-CD2 3.01Å; L690-H695 PolarHBondContact O-N 3.27Å; L690-H695 PolarHBondContact O-ND1 3.19Å; S693-H695 VanDerWaalsContact C-N 3.34Å; S693-H695 PolarHBondContact O-N 2.67Å; S693-H695 PolarHBondContact OG-CE1 3.31Å; S693-H695 PolarHBondContact OG-ND1 3.01Å; H695-R947 PolarHBondContact CE1-NH2 2.82Å; H695-R947 PolarHBondContact NE2-NH2 3.26Å
696H91Very high90.5Very high27 Ų2729.1 Ų29.113%0.12516%0.164CC..EExtended strand (participates in β ladder)trans-79.1122.6170.5-176.7-80000108.7D479 I480 C481 S698 L1169D479-H696 PolarHBondContact O-N 3.11Å; I480-H696 CarbonylContact C-O 3.1Å; I480-H696 VanDerWaalsContact CA-O 3.25Å; I480-H696 WeakPolarHBondContact CA-O 3.43Å; I480-H696 HydrophobicContact CG1-CB 4.11Å; C481-H696 PolarHBondContact N-O 3.25Å; H696-S698 PolarHBondContact CE1-OG 3.47Å; H696-S698 VanDerWaalsContact CE1-OG 3.27Å; H696-S698 PolarHBondContact ND1-OG 3.39Å; H696-L1169 HydrophobicContact CB-CD1 3.76Å
697I94.3Very high90.3Very high13 Ų1329.4 Ų29.47%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-104.9130-176.1-54.2173.2000108.4C481 F483 I687 L690 I717C481-I697 WeakPolarHBondContact O-CA 3.26Å; F483-I697 HydrophobicContact CD2-CG2 4Å; F483-I697 HydrophobicContact CE2-CG2 4.12Å; I687-I697 HydrophobicContact CB-CD1 4.45Å; I687-I697 HydrophobicContact CD1-CD1 4.37Å; I687-I697 HydrophobicContact CD1-CG2 4.03Å; I687-I697 HydrophobicContact CG2-CD1 3.72Å; I687-I697 WeakPolarHBondContact O-CD1 3.5Å; L690-I697 HydrophobicContact CB-CD1 3.57Å; L690-I697 HydrophobicContact CB-CG1 4.2Å; I697-I717 HydrophobicContact CG2-CD1 4.14Å; I697-I717 HydrophobicContact CG2-CG1 3.89Å; I697-I717 HydrophobicContact CG2-CG2 4.24Å
698S94.5Very high90.1Very high4 Ų429.4 Ų29.43%0.02817%0.166CC..EExtended strand (participates in β ladder)trans-128.1147.4175.5-620000110.3C481 A482 F483 H696 A796 K797C481-S698 PolarHBondContact O-N 3.44Å; A482-S698 CarbonylContact C-O 3.18Å; A482-S698 VanDerWaalsContact CA-O 3.25Å; A482-S698 WeakPolarHBondContact CA-O 3.41Å; F483-S698 PolarHBondContact N-O 3.43Å; H696-S698 PolarHBondContact CE1-OG 3.47Å; H696-S698 VanDerWaalsContact CE1-OG 3.27Å; H696-S698 PolarHBondContact ND1-OG 3.39Å; S698-A796 PolarHBondContact OG-O 2.91Å; S698-K797 CarbonylContact C-O 3.55Å; S698-K797 WeakPolarHBondContact CA-O 3.41Å
699M95.5Very high90.1Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-103.5129.4169.9-176-178.6-75.100109.2F483 K485 L489 T701 A708 V711 S712 I717 K797 I798 Y799F483-M699 CarbonylContact O-C 3.6Å; F483-M699 WeakPolarHBondContact O-CA 3.38Å; K485-M699 HydrophobicContact CB-SD 4.17Å; K485-M699 HydrophobicContact CG-SD 4.42Å; L489-M699 HydrophobicContact CD1-CE 3.45Å; L489-M699 VanDerWaalsContact CD1-CE 3.45Å; M699-T701 HydrophobicContact CG-CG2 4.42Å; M699-T701 HydrophobicContact SD-CG2 4.37Å; M699-A708 HydrophobicContact SD-CB 4.13Å; M699-V711 HydrophobicContact CE-CB 4.27Å; M699-V711 HydrophobicContact CE-CG1 3.72Å; M699-S712 VanDerWaalsContact CE-OG 3.3Å; M699-S712 WeakPolarHBondContact CE-OG 3.23Å; M699-S712 PolarHBondContact SD-OG 3.24Å; M699-S712 VanDerWaalsContact SD-OG 3.41Å; M699-I717 HydrophobicContact CB-CD1 4.14Å; M699-I717 HydrophobicContact CE-CD1 3.85Å; M699-K797 PolarHBondContact N-O 2.71Å; M699-I798 CarbonylContact O-C 3.59Å; M699-I798 WeakPolarHBondContact O-CA 3.48Å; M699-Y799 PolarHBondContact O-N 2.99Å
700I94.8Very high90Very high2 Ų225.1 Ų25.11%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-123.7106.1175.3-55.3179000108.8A482 F483 D484 Y799 V802 K807 I810 M823A482-I700 HydrophobicContact CB-CD1 3.72Å; A482-I700 HydrophobicContact CB-CG1 4.16Å; F483-I700 PolarHBondContact O-N 3.4Å; D484-I700 WeakPolarHBondContact CA-O 3.41Å; I700-Y799 HydrophobicContact CD1-CD2 4.45Å; I700-Y799 HydrophobicContact CG1-CD2 3.7Å; I700-Y799 HydrophobicContact CG1-CE2 4.36Å; I700-Y799 HydrophobicContact CG1-CG 4.25Å; I700-V802 HydrophobicContact CG2-CB 4.42Å; I700-V802 HydrophobicContact CG2-CG1 4.31Å; I700-V802 HydrophobicContact CG2-CG2 4.45Å; I700-K807 HydrophobicContact CG2-CB 4.17Å; I700-K807 HydrophobicContact CG2-CD 4.01Å; I700-K807 HydrophobicContact CG2-CG 3.69Å; I700-I810 HydrophobicContact CD1-CG2 4.04Å; I700-I810 HydrophobicContact CG2-CD1 4.36Å; I700-M823 HydrophobicContact CD1-SD 4.47Å
701T91.3Very high90Very high2 Ų225.7 Ų25.71%0.01215%0.145CC..  trans-137.8157.3-173.4-166.40000113.6D484 K485 M699 D703 A708 Y799 A800 R801 V802D484-T701 WeakPolarHBondContact OD1-CA 3.46Å; D484-T701 WeakPolarHBondContact OD1-CB 3.27Å; D484-T701 PolarHBondContact OD1-OG1 2.95Å; D484-T701 VanDerWaalsContact OD1-OG1 3.09Å; K485-T701 HydrophobicContact CB-CG2 4.39Å; M699-T701 HydrophobicContact CG-CG2 4.42Å; M699-T701 HydrophobicContact SD-CG2 4.37Å; T701-D703 HydrophobicContact CG2-CB 4.1Å; T701-D703 PolarHBondContact OG1-N 3.41Å; T701-A708 HydrophobicContact CG2-CB 3.79Å; T701-Y799 PolarHBondContact N-O 3.37Å; T701-A800 CarbonylContact O-C 3.56Å; T701-A800 WeakPolarHBondContact O-CA 3.3Å; T701-R801 PolarHBondContact O-N 3.42Å; T701-V802 PolarHBondContact O-N 3.34Å; T701-V802 VanDerWaalsContact O-N 3.11Å
702G87.1Confident90.1Very high48 Ų4822.5 Ų22.550%0.49512%0.123SC..SBendtrans-83.2-10.7171.500000114R801G702-R801 WeakPolarHBondContact O-CA 3.43Å
703D85.8Confident90.2Very high21 Ų2118.7 Ų18.711%0.11212%0.117CC..SBendtrans-69.3168.7-177.5-79.5-58.9000113.6K485 T486 R638 T701 R801K485-D703 HydrophobicContact CD-CB 4.43Å; K485-D703 VanDerWaalsContact CD-OD2 3.3Å; K485-D703 WeakPolarHBondContact CD-OD2 3.42Å; K485-D703 WeakPolarHBondContact CE-OD2 3.44Å; K485-D703 VanDerWaalsContact NZ-CG 3.29Å; K485-D703 IonicContact NZ-OD1 2.87Å; K485-D703 IonicContact NZ-OD2 3.5Å; K485-D703 PolarHBondContact NZ-OD2 3.27Å; T486-D703 PolarHBondContact OG1-OD2 2.86Å; T486-D703 VanDerWaalsContact OG1-OD2 3.08Å; R638-D703 IonicContact CZ-OD1 2.86Å; R638-D703 IonicContact NE-OD1 2.73Å; R638-D703 IonicContact NH2-OD1 3.23Å; R638-D703 PolarHBondContact NH2-OD1 3.23Å; R638-D703 IonicContact NH2-OD2 2.76Å; T701-D703 HydrophobicContact CG2-CB 4.1Å; T701-D703 PolarHBondContact OG1-N 3.41Å; D703-R801 PolarHBondContact O-N 2.82Å
704N86.1Confident90.4Very high51 Ų5122.5 Ų22.527%0.27314%0.136SC..  trans-58.3138.9175-174.6-51.2000111.1L706 T707 A708N704-L706 VanDerWaalsContact C-N 3.27Å; N704-L706 PolarHBondContact O-N 2.87Å; N704-L706 PolarHBondContact OD1-N 2.99Å; N704-T707 PolarHBondContact O-N 2.86Å; N704-A708 PolarHBondContact O-N 2.86Å
705P89.8Confident90.7Very high15 Ų1521.3 Ų21.310%0.09713%0.128CC..Hα-helixtrans-52.8-38.417720.6-34.4000114.3A708 C709 V726 T774 A800P705-A708 PolarHBondContact O-N 2.76Å; P705-C709 WeakPolarHBondContact O-CB 3.43Å; P705-C709 PolarHBondContact O-N 2.92Å; P705-C709 PolarHBondContact O-SG 3.27Å; P705-V726 HydrophobicContact CB-CG1 3.96Å; P705-V726 HydrophobicContact CB-CG2 4.35Å; P705-V726 HydrophobicContact CG-CG1 4.38Å; P705-T774 HydrophobicContact CB-CG2 4.45Å; P705-T774 HydrophobicContact CG-CG2 4.35Å; P705-A800 HydrophobicContact CB-CB 3.86Å
706L89.1Confident90.7Very high33 Ų3322.4 Ų22.417%0.17314%0.142CC..Hα-helixtrans-62.8-47179.8-60.4178.3000111.2L630 A633 N704 C709 H710 V742L630-L706 HydrophobicContact CD2-CD1 4.22Å; A633-L706 HydrophobicContact CB-CD1 4.1Å; N704-L706 VanDerWaalsContact C-N 3.27Å; N704-L706 PolarHBondContact O-N 2.87Å; N704-L706 PolarHBondContact OD1-N 2.99Å; L706-C709 PolarHBondContact O-N 3.34Å; L706-H710 PolarHBondContact O-N 3.19Å; L706-V742 HydrophobicContact CD2-CG1 3.89Å
707T87.6Confident90.7Very high7 Ų721.5 Ų21.54%0.04314%0.138CC..Hα-helixtrans-63.6-43.1176.5-53.50000111.7K485 G636 N704 H710 V711K485-T707 HydrophobicContact CD-CG2 4.47Å; G636-T707 WeakPolarHBondContact O-CG2 3.49Å; N704-T707 PolarHBondContact O-N 2.86Å; T707-H710 PolarHBondContact O-N 3.35Å; T707-V711 WeakPolarHBondContact O-CG2 3.47Å; T707-V711 PolarHBondContact O-N 3.35Å
708A90.4Very high90.6Very high0 Ų021.2 Ų21.20%014%0.137CC..Hα-helixtrans-64.1-41.1178.400000112M699 T701 N704 P705 S712 I798 A800M699-A708 HydrophobicContact SD-CB 4.13Å; T701-A708 HydrophobicContact CG2-CB 3.79Å; N704-A708 PolarHBondContact O-N 2.86Å; P705-A708 PolarHBondContact O-N 2.76Å; A708-S712 WeakPolarHBondContact O-CB 3.45Å; A708-S712 PolarHBondContact O-N 3.22Å; A708-S712 PolarHBondContact O-OG 2.89Å; A708-I798 HydrophobicContact CB-CG2 3.83Å; A708-A800 HydrophobicContact CB-CB 4.27Å
709C91.8Very high90.2Very high6 Ų625.5 Ų25.54%0.04115%0.153CC..Hα-helixtrans-64.5-42.7175.3-67.30000112.6P705 L706 S712 S713 V742 I798P705-C709 WeakPolarHBondContact O-CB 3.43Å; P705-C709 PolarHBondContact O-N 2.92Å; P705-C709 PolarHBondContact O-SG 3.27Å; L706-C709 PolarHBondContact O-N 3.34Å; C709-S712 PolarHBondContact O-N 2.73Å; C709-S713 WeakPolarHBondContact O-CB 3.45Å; C709-S713 PolarHBondContact O-N 3.49Å; C709-V742 HydrophobicContact CB-CG2 3.77Å; C709-I798 HydrophobicContact CB-CD1 4.27Å
710H89.7Confident89.5Confident55 Ų5530.3 Ų30.326%0.25519%0.186SC..Hα-helixtrans-61.2-51.8176.4-17779.8000112R634 R635 G636 L706 T707 S712 S713 I714R634-H710 PolarHBondContact O-ND1 3.37Å; R635-H710 VanDerWaalsContact C-CD2 3.42Å; R635-H710 PolarHBondContact O-CD2 2.96Å; R635-H710 VanDerWaalsContact O-CD2 3.27Å; R635-H710 PolarHBondContact O-NE2 3.09Å; G636-H710 VanDerWaalsContact CA-CD2 3.43Å; G636-H710 WeakPolarHBondContact CA-CD2 3.41Å; L706-H710 PolarHBondContact O-N 3.19Å; T707-H710 PolarHBondContact O-N 3.35Å; H710-S712 VanDerWaalsContact C-N 3.3Å; H710-S712 PolarHBondContact O-N 3.45Å; H710-S713 WeakPolarHBondContact O-CB 3.34Å; H710-S713 PolarHBondContact O-N 3.31Å; H710-S713 VanDerWaalsContact O-N 3.07Å; H710-I714 WeakPolarHBondContact NE2-CD1 3.47Å; H710-I714 PolarHBondContact O-N 3.16Å; H710-I714 VanDerWaalsContact O-N 3.09Å
711V90.9Very high89Confident11 Ų1137.4 Ų37.47%0.06722%0.224CC..Hα-helixtrans-60.8-42179.2171.60000111.1K485 L679 M699 T707 S713 I714 V715K485-V711 HydrophobicContact CD-CG2 4.16Å; K485-V711 HydrophobicContact CG-CG1 4.19Å; L679-V711 HydrophobicContact CD2-CG1 3.97Å; M699-V711 HydrophobicContact CE-CB 4.27Å; M699-V711 HydrophobicContact CE-CG1 3.72Å; T707-V711 WeakPolarHBondContact O-CG2 3.47Å; T707-V711 PolarHBondContact O-N 3.35Å; V711-S713 PolarHBondContact O-N 2.95Å; V711-I714 PolarHBondContact O-N 2.92Å; V711-V715 HydrophobicContact CG1-CG2 4.23Å; V711-V715 WeakPolarHBondContact O-CB 3.4Å; V711-V715 VanDerWaalsContact O-CG2 3.3Å; V711-V715 WeakPolarHBondContact O-CG2 3.48Å; V711-V715 PolarHBondContact O-N 3.21Å
712S92.2Very high88.8Confident0 Ų038.8 Ų38.80%023%0.232CC..Hα-helixtrans-62.4-31.9176.9-64.90000112.9M699 A708 C709 H710 G716 I717 V718 I798M699-S712 VanDerWaalsContact CE-OG 3.3Å; M699-S712 WeakPolarHBondContact CE-OG 3.23Å; M699-S712 PolarHBondContact SD-OG 3.24Å; M699-S712 VanDerWaalsContact SD-OG 3.41Å; A708-S712 WeakPolarHBondContact O-CB 3.45Å; A708-S712 PolarHBondContact O-N 3.22Å; A708-S712 PolarHBondContact O-OG 2.89Å; C709-S712 PolarHBondContact O-N 2.73Å; H710-S712 VanDerWaalsContact C-N 3.3Å; H710-S712 PolarHBondContact O-N 3.45Å; S712-G716 PolarHBondContact O-N 3.48Å; S712-G716 VanDerWaalsContact O-N 3.16Å; S712-I717 PolarHBondContact O-N 3.37Å; S712-V718 PolarHBondContact O-N 2.88Å; S712-I798 WeakPolarHBondContact OG-CD1 3.42Å
713S91.2Very high88.8Confident60 Ų6038.6 Ų38.642%0.4222%0.222SC..Hα-helixtrans-71.4-45.1176.8-173.20000111.4C709 H710 V711 V715 G716 V718C709-S713 WeakPolarHBondContact O-CB 3.45Å; C709-S713 PolarHBondContact O-N 3.49Å; H710-S713 WeakPolarHBondContact O-CB 3.34Å; H710-S713 PolarHBondContact O-N 3.31Å; H710-S713 VanDerWaalsContact O-N 3.07Å; V711-S713 PolarHBondContact O-N 2.95Å; S713-V715 PolarHBondContact O-N 3.4Å; S713-G716 PolarHBondContact O-N 3.08Å; S713-V718 VanDerWaalsContact CA-CG2 3.49Å
714I90.2Very high89Confident80 Ų8038.1 Ų38.141%0.4122%0.221SC..Hα-helixtrans-63.5-44.2177.5-63.7168.2000111.4L679 H710 V711 G716L679-I714 HydrophobicContact CD1-CB 4.11Å; L679-I714 HydrophobicContact CD1-CD1 4.44Å; L679-I714 HydrophobicContact CD1-CG2 3.42Å; L679-I714 VanDerWaalsContact CD1-CG2 3.42Å; H710-I714 WeakPolarHBondContact NE2-CD1 3.47Å; H710-I714 PolarHBondContact O-N 3.16Å; H710-I714 VanDerWaalsContact O-N 3.09Å; V711-I714 PolarHBondContact O-N 2.92Å; I714-G716 VanDerWaalsContact C-N 3.27Å; I714-G716 PolarHBondContact O-N 3.35Å
715V90.9Very high89.3Confident1 Ų135.7 Ų35.71%0.00621%0.208CC..Hα-helixtrans-77.6-15.2-175.7179.90000111.9L679 I687 V711 S713 I717L679-V715 HydrophobicContact CD1-CG2 4.12Å; L679-V715 HydrophobicContact CD2-CG2 3.61Å; I687-V715 HydrophobicContact CB-CG1 3.67Å; I687-V715 HydrophobicContact CG1-CG1 3.27Å; I687-V715 HydrophobicContact CG2-CG1 4Å; I687-V715 VanDerWaalsContact CG2-O 3.32Å; I687-V715 WeakPolarHBondContact CG2-O 3.43Å; V711-V715 HydrophobicContact CG1-CG2 4.23Å; V711-V715 WeakPolarHBondContact O-CB 3.4Å; V711-V715 VanDerWaalsContact O-CG2 3.3Å; V711-V715 WeakPolarHBondContact O-CG2 3.48Å; V711-V715 PolarHBondContact O-N 3.21Å; S713-V715 PolarHBondContact O-N 3.4Å; V715-I717 HydrophobicContact CG1-CG1 4.45Å
716G90.2Very high89.4Confident34 Ų3435.4 Ų35.435%0.35121%0.205SC..THydrogen-bonded Turntrans87.121.317700000115S712 S713 I714S712-G716 PolarHBondContact O-N 3.48Å; S712-G716 VanDerWaalsContact O-N 3.16Å; S713-G716 PolarHBondContact O-N 3.08Å; I714-G716 VanDerWaalsContact C-N 3.27Å; I714-G716 PolarHBondContact O-N 3.35Å
717I91.5Very high89.4Confident8 Ų833.8 Ų33.84%0.04120%0.197CC..SBendtrans-71.6-46.6173-60.3178.7000109.7L489 I687 I697 M699 S712 V715 K797L489-I717 HydrophobicContact CD1-CD1 4.19Å; I687-I717 HydrophobicContact CG2-CG1 4Å; I697-I717 HydrophobicContact CG2-CD1 4.14Å; I697-I717 HydrophobicContact CG2-CG1 3.89Å; I697-I717 HydrophobicContact CG2-CG2 4.24Å; M699-I717 HydrophobicContact CB-CD1 4.14Å; M699-I717 HydrophobicContact CE-CD1 3.85Å; S712-I717 PolarHBondContact O-N 3.37Å; V715-I717 HydrophobicContact CG1-CG1 4.45Å; I717-K797 HydrophobicContact CG2-CB 4.47Å; I717-K797 WeakPolarHBondContact O-CD 3.49Å; I717-K797 PolarHBondContact O-NZ 3.08Å
718V91.1Very high89.4Confident8 Ų834.3 Ų34.35%0.04820%0.201CC..SBendtrans-91.4153.3173.9-64.10000110.9S712 S713 S720 V724 D770 K797 I798S712-V718 PolarHBondContact O-N 2.88Å; S713-V718 VanDerWaalsContact CA-CG2 3.49Å; V718-S720 PolarHBondContact O-N 3.2Å; V718-V724 HydrophobicContact CB-CG2 4.04Å; V718-V724 HydrophobicContact CG1-CG2 3.95Å; V718-V724 HydrophobicContact CG2-CG2 4.1Å; V718-D770 WeakPolarHBondContact CA-OD2 3.36Å; V718-D770 HydrophobicContact CB-CB 4.46Å; V718-D770 WeakPolarHBondContact CB-OD2 3.49Å; V718-D770 HydrophobicContact CG1-CB 4.24Å; V718-K797 HydrophobicContact CG1-CB 4.35Å; V718-K797 HydrophobicContact CG1-CD 4.16Å; V718-I798 HydrophobicContact CG1-CD1 3.62Å; V718-I798 HydrophobicContact CG1-CG1 4.12Å
719R86.5Confident89.3Confident94 Ų9436.6 Ų36.636%0.35522%0.216SC..  trans-71.7124178.1-68.5174.7-75.3174.9-5.1109.1N721 V722 I766 Q767 Y769 D770R719-N721 PolarHBondContact O-N 3.08Å; R719-N721 VanDerWaalsContact O-N 3.12Å; R719-V722 HydrophobicContact CB-CB 4.01Å; R719-V722 HydrophobicContact CB-CG2 4.04Å; R719-V722 PolarHBondContact O-N 2.94Å; R719-I766 PolarHBondContact NH2-O 3.21Å; R719-Q767 PolarHBondContact NH1-O 3.28Å; R719-Y769 PolarHBondContact NH2-O 3.45Å; R719-D770 IonicContact CZ-OD1 3.4Å; R719-D770 VanDerWaalsContact CZ-OD1 3.23Å; R719-D770 PolarHBondContact N-OD2 3.39Å; R719-D770 IonicContact NE-OD1 3.77Å; R719-D770 PolarHBondContact NE-OD1 2.89Å; R719-D770 IonicContact NE-OD2 3.06Å; R719-D770 IonicContact NH2-OD1 3.94Å; R719-D770 PolarHBondContact NH2-OD1 3.15Å
720S81.4Confident89Confident101 Ų10139.6 Ų39.671%0.70624%0.235SC*.THydrogen-bonded Turntrans-58.3-26.7-179.656.50000114.5V718V718-S720 PolarHBondContact O-N 3.2Å
721N84.3Confident88.6Confident151 Ų15139.7 Ų39.781%0.80724%0.238SC*.THydrogen-bonded Turntrans-96.23.5-173.3-61.37.2000113.3R719R719-N721 PolarHBondContact O-N 3.08Å; R719-N721 VanDerWaalsContact O-N 3.12Å
722V86.2Confident87.8Confident30 Ų3044.6 Ų44.618%0.18228%0.279CS..SBendtrans-127.5129.8-170.2172.40000109.2R719 K768 Y769R719-V722 HydrophobicContact CB-CB 4.01Å; R719-V722 HydrophobicContact CB-CG2 4.04Å; R719-V722 PolarHBondContact O-N 2.94Å; V722-K768 WeakPolarHBondContact CG1-O 3.49Å; V722-Y769 VanDerWaalsContact CG1-CA 3.41Å
723P87.2Confident87Confident44 Ų4448.6 Ų48.629%0.28630%0.3SS..PPolyproline II helixtrans-70.9142.9177.424.6-25.9000110.5S741 Y769 D770P723-S741 WeakPolarHBondContact CB-OG 3.38Å; P723-Y769 HydrophobicContact CG-CD1 3.64Å; P723-Y769 HydrophobicContact CG-CE1 3.6Å; P723-D770 PolarHBondContact O-N 3.23Å
724V90.5Very high86.4Confident12 Ų1248.5 Ų48.57%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-88.6128.4177-175.40000108.8V718 S741 V742 D770 C772 I798V718-V724 HydrophobicContact CB-CG2 4.04Å; V718-V724 HydrophobicContact CG1-CG2 3.95Å; V718-V724 HydrophobicContact CG2-CG2 4.1Å; V724-S741 WeakPolarHBondContact O-CA 3.29Å; V724-V742 HydrophobicContact CB-CG2 4.08Å; V724-V742 PolarHBondContact O-N 3.07Å; V724-D770 CarbonylContact C-O 3.58Å; V724-D770 WeakPolarHBondContact CA-O 3.3Å; V724-D770 HydrophobicContact CG2-CB 4.29Å; V724-C772 HydrophobicContact CG1-CB 3.99Å; V724-I798 HydrophobicContact CG1-CD1 4.28Å
725L92.3Very high86Confident0 Ų053.2 Ų53.20%031%0.313CS..EExtended strand (participates in β ladder)trans-98.3124.2175.9-65.1177.4000110.3W739 V746 L748 L765 Y769 D770 V771 C772L725-W739 HydrophobicContact CB-CB 4.33Å; L725-W739 HydrophobicContact CB-CE3 4.02Å; L725-W739 HydrophobicContact CD1-CB 4.3Å; L725-V746 HydrophobicContact CD2-CG1 4.32Å; L725-L748 HydrophobicContact CD1-CD1 3.9Å; L725-L765 HydrophobicContact CD1-CD1 4.11Å; L725-L765 HydrophobicContact CD1-CD2 4.22Å; L725-L765 HydrophobicContact CD1-CG 4.17Å; L725-Y769 HydrophobicContact CD1-CD1 4.28Å; L725-Y769 HydrophobicContact CD1-CD2 3.71Å; L725-Y769 HydrophobicContact CD1-CE2 4.46Å; L725-Y769 HydrophobicContact CD1-CG 3.58Å; L725-Y769 HydrophobicContact CG-CD1 4.33Å; L725-Y769 HydrophobicContact CG-CG 4.03Å; L725-D770 PolarHBondContact N-O 2.93Å; L725-V771 WeakPolarHBondContact O-CA 3.37Å; L725-C772 PolarHBondContact O-N 3.32Å
726V91.3Very high85.8Confident8 Ų859.8 Ų59.85%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-98.6133.4175.4-174.60000108.9P705 S728 W739 Q740 V742 C772 T774P705-V726 HydrophobicContact CB-CG1 3.96Å; P705-V726 HydrophobicContact CB-CG2 4.35Å; P705-V726 HydrophobicContact CG-CG1 4.38Å; V726-S728 PolarHBondContact O-N 3.03Å; V726-W739 WeakPolarHBondContact O-CA 3.45Å; V726-Q740 PolarHBondContact N-O 3.09Å; V726-Q740 PolarHBondContact O-N 2.91Å; V726-V742 HydrophobicContact CG2-CG2 4.26Å; V726-C772 WeakPolarHBondContact CA-O 3.43Å; V726-C772 HydrophobicContact CB-CB 4.49Å; V726-C772 HydrophobicContact CG2-CB 4.01Å; V726-T774 HydrophobicContact CG1-CG2 3.86Å
727L90.5Very high85.7Confident0 Ų060.1 Ų60.10%034%0.335CS..EExtended strand (participates in β ladder)trans-77.1103169.3-175.260.1000109.2W737 W739 M750 C772 L773 T774 L781L727-W737 HydrophobicContact CD1-CE3 4.11Å; L727-W737 HydrophobicContact CG-CE3 3.93Å; L727-W737 HydrophobicContact CG-CZ3 4.14Å; L727-W739 HydrophobicContact CB-CE3 4.01Å; L727-W739 HydrophobicContact CB-CH2 3.87Å; L727-W739 HydrophobicContact CB-CZ3 3.54Å; L727-W739 HydrophobicContact CD1-CD2 4.34Å; L727-W739 HydrophobicContact CD1-CE3 4.47Å; L727-W739 HydrophobicContact CD1-CH2 4.38Å; L727-W739 HydrophobicContact CD1-CZ2 4.23Å; L727-W739 HydrophobicContact CD1-CZ3 4.47Å; L727-W739 HydrophobicContact CD2-CH2 4.44Å; L727-W739 HydrophobicContact CG-CH2 4.46Å; L727-W739 HydrophobicContact CG-CZ3 4.49Å; L727-M750 HydrophobicContact CD1-CE 4.46Å; L727-M750 HydrophobicContact CD1-SD 3.92Å; L727-C772 PolarHBondContact N-O 3.24Å; L727-C772 VanDerWaalsContact N-O 3.09Å; L727-L773 HydrophobicContact CB-CD2 4.24Å; L727-L773 HydrophobicContact CD2-CD2 4.11Å; L727-T774 PolarHBondContact O-OG1 2.72Å; L727-T774 VanDerWaalsContact O-OG1 3.08Å; L727-L781 HydrophobicContact CD2-CD1 3.81Å; L727-L781 HydrophobicContact CD2-CG 4.24Å
728S88Confident85.6Confident18 Ų1859.8 Ų59.813%0.12633%0.333CS..EExtended strand (participates in β ladder)trans-103.5143.5-175.6-66.30000111.5V726 H738V726-S728 PolarHBondContact O-N 3.03Å; S728-H738 PolarHBondContact N-O 2.95Å; S728-H738 PolarHBondContact O-N 2.82Å
729P87.5Confident85.6Confident47 Ų4759.4 Ų59.431%0.30533%0.33SS..PPolyproline II helixtrans-65.5169.1167.630.5-35.1000110.9N731 W737P729-N731 PolarHBondContact O-N 3.29Å; P729-W737 HydrophobicContact CB-CH2 3.87Å; P729-W737 HydrophobicContact CB-CZ2 3.98Å; P729-W737 HydrophobicContact CB-CZ3 4.17Å
730P85Confident85.7Confident70 Ų7055.8 Ų55.846%0.45532%0.318SS..SBendtrans-48.9129.3172.3-29.637.3000112.7H734 E735P730-H734 WeakPolarHBondContact CA-O 3.12Å; P730-E735 VanDerWaalsContact CB-O 3.29Å; P730-E735 WeakPolarHBondContact CB-O 3.45Å; P730-E735 WeakPolarHBondContact CG-O 3.46Å
731N81.2Confident86.1Confident57 Ų5751.1 Ų51.131%0.30529%0.285SS..BIsolated β-bridgetrans-138.2-176.2179.865.47.5000110.2P729 L733 H734 H738 Q740P729-N731 PolarHBondContact O-N 3.29Å; N731-L733 PolarHBondContact O-N 2.93Å; N731-L733 VanDerWaalsContact O-N 3.13Å; N731-L733 WeakPolarHBondContact OD1-CB 3.44Å; N731-L733 PolarHBondContact OD1-N 3.33Å; N731-H734 PolarHBondContact N-O 2.86Å; N731-H734 VanDerWaalsContact N-O 3.1Å; N731-H734 CarbonylContact O-C 3.38Å; N731-H734 PolarHBondContact O-N 3.32Å; N731-H734 PolarHBondContact OD1-N 2.85Å; N731-H738 PolarHBondContact OD1-CE1 3.02Å; N731-Q740 PolarHBondContact ND2-OE1 3.35Å; N731-Q740 VanDerWaalsContact ND2-OE1 3.09Å
732A74.4Confident86Confident114 Ų11445.1 Ų45.194%0.94225%0.254SS*.THydrogen-bonded Turntrans-60.4-21.2178.800000114
733L75.2Confident85.7Confident84 Ų8448.3 Ų48.344%0.4427%0.27SS..THydrogen-bonded Turntrans-86.2-31.6-178.1-58.2170.9000112.3N731 Q740 I747N731-L733 PolarHBondContact O-N 2.93Å; N731-L733 VanDerWaalsContact O-N 3.13Å; N731-L733 WeakPolarHBondContact OD1-CB 3.44Å; N731-L733 PolarHBondContact OD1-N 3.33Å; L733-Q740 VanDerWaalsContact CD1-NE2 3.25Å; L733-I747 HydrophobicContact CB-CD1 4.14Å; L733-I747 HydrophobicContact CD1-CD1 4.36Å
734H79.9Confident85.3Confident58 Ų5850.7 Ų50.727%0.26928%0.277SS..BIsolated β-bridgetrans-155.3131.3-178.9-166.5-86.9000112.6P730 N731 Q736 H738P730-H734 WeakPolarHBondContact CA-O 3.12Å; N731-H734 PolarHBondContact N-O 2.86Å; N731-H734 VanDerWaalsContact N-O 3.1Å; N731-H734 CarbonylContact O-C 3.38Å; N731-H734 PolarHBondContact O-N 3.32Å; N731-H734 PolarHBondContact OD1-N 2.85Å; H734-Q736 VanDerWaalsContact C-N 3.34Å; H734-Q736 PolarHBondContact ND1-N 3.38Å; H734-Q736 PolarHBondContact ND1-O 2.91Å; H734-Q736 PolarHBondContact O-N 3.21Å; H734-H738 HydrophobicContact CB-CB 4.38Å; H734-H738 AromaticContact CG-CG 3.9Å; H734-H738 AromaticContact CG-ND1 3.97Å; H734-H738 AromaticContact ND1-CG 3.87Å; H734-H738 AromaticContact ND1-ND1 3.83Å
735E81.5Confident84.9Confident178 Ų17854.4 Ų54.483%0.83230%0.303SS*.SBendtrans-73.1-19-172-63.2-176.816800114.8P730P730-E735 VanDerWaalsContact CB-O 3.29Å; P730-E735 WeakPolarHBondContact CB-O 3.45Å; P730-E735 WeakPolarHBondContact CG-O 3.46Å
736Q86.2Confident84.5Confident140 Ų14056 Ų5665%0.65431%0.313SS*.SBendtrans-114.7164.3177.9-61.8-173.9-5.600111.4H734 H738H734-Q736 VanDerWaalsContact C-N 3.34Å; H734-Q736 PolarHBondContact ND1-N 3.38Å; H734-Q736 PolarHBondContact ND1-O 2.91Å; H734-Q736 PolarHBondContact O-N 3.21Å; Q736-H738 PolarHBondContact O-N 3.23Å; Q736-H738 PolarHBondContact O-ND1 3.41Å
737W88.2Confident84.3Confident41 Ų4158.8 Ų58.816%0.15533%0.327CS..  trans-49.2128.9168.2-77.389.4000110.2L727 P729 M750 E776 Y780L727-W737 HydrophobicContact CD1-CE3 4.11Å; L727-W737 HydrophobicContact CG-CE3 3.93Å; L727-W737 HydrophobicContact CG-CZ3 4.14Å; P729-W737 HydrophobicContact CB-CH2 3.87Å; P729-W737 HydrophobicContact CB-CZ2 3.98Å; P729-W737 HydrophobicContact CB-CZ3 4.17Å; W737-M750 VanDerWaalsContact O-CB 3.31Å; W737-M750 WeakPolarHBondContact O-CB 3.25Å; W737-E776 HydrophobicContact CH2-CB 4.15Å; W737-Y780 HydrophobicContact CB-CE1 4.4Å; W737-Y780 AromaticContact CD1-CE1 3.96Å; W737-Y780 AromaticContact CD1-CE2 3.66Å; W737-Y780 AromaticContact CD1-CZ 3.62Å; W737-Y780 AromaticContact CD2-CD1 3.99Å; W737-Y780 HydrophobicContact CD2-CD1 3.99Å; W737-Y780 HydrophobicContact CD2-CE1 4.23Å; W737-Y780 HydrophobicContact CD2-CG 4.16Å; W737-Y780 AromaticContact CE2-CD1 4Å; W737-Y780 AromaticContact CE2-CD2 3.83Å; W737-Y780 AromaticContact CE2-CG 3.67Å; W737-Y780 HydrophobicContact CE3-CD1 4.46Å; W737-Y780 HydrophobicContact CG-CD1 4.2Å; W737-Y780 AromaticContact CG-CE1 3.94Å; W737-Y780 HydrophobicContact CG-CE1 3.94Å; W737-Y780 HydrophobicContact CG-CE2 4.42Å; W737-Y780 HydrophobicContact CZ2-CD1 4.49Å; W737-Y780 HydrophobicContact CZ2-CD2 4.23Å; W737-Y780 AromaticContact CZ2-CG 3.9Å; W737-Y780 HydrophobicContact CZ2-CG 3.9Å; W737-Y780 AromaticContact NE1-CD2 3.47Å; W737-Y780 AromaticContact NE1-CE2 3.55Å; W737-Y780 AromaticContact NE1-CG 3.79Å; W737-Y780 AromaticContact NE1-CZ 3.95Å
738H89.8Confident84Confident0 Ų061.2 Ų61.20%034%0.34CS..EExtended strand (participates in β ladder)trans-149.9162.4-173.662.4-74.4000110.8S728 N731 H734 Q736 L748S728-H738 PolarHBondContact N-O 2.95Å; S728-H738 PolarHBondContact O-N 2.82Å; N731-H738 PolarHBondContact OD1-CE1 3.02Å; H734-H738 HydrophobicContact CB-CB 4.38Å; H734-H738 AromaticContact CG-CG 3.9Å; H734-H738 AromaticContact CG-ND1 3.97Å; H734-H738 AromaticContact ND1-CG 3.87Å; H734-H738 AromaticContact ND1-ND1 3.83Å; Q736-H738 PolarHBondContact O-N 3.23Å; Q736-H738 PolarHBondContact O-ND1 3.41Å; H738-L748 WeakPolarHBondContact CB-O 3.42Å
739W89.7Confident83.8Confident0 Ų064.4 Ų64.40%036%0.36CS..EExtended strand (participates in β ladder)trans-91.2119.7172.2-65.8102.2000108.9L725 V726 L727 I747 L748 M750 V771 L773 L792L725-W739 HydrophobicContact CB-CB 4.33Å; L725-W739 HydrophobicContact CB-CE3 4.02Å; L725-W739 HydrophobicContact CD1-CB 4.3Å; V726-W739 WeakPolarHBondContact O-CA 3.45Å; L727-W739 HydrophobicContact CB-CE3 4.01Å; L727-W739 HydrophobicContact CB-CH2 3.87Å; L727-W739 HydrophobicContact CB-CZ3 3.54Å; L727-W739 HydrophobicContact CD1-CD2 4.34Å; L727-W739 HydrophobicContact CD1-CE3 4.47Å; L727-W739 HydrophobicContact CD1-CH2 4.38Å; L727-W739 HydrophobicContact CD1-CZ2 4.23Å; L727-W739 HydrophobicContact CD1-CZ3 4.47Å; L727-W739 HydrophobicContact CD2-CH2 4.44Å; L727-W739 HydrophobicContact CG-CH2 4.46Å; L727-W739 HydrophobicContact CG-CZ3 4.49Å; W739-I747 CarbonylContact O-C 3.56Å; W739-I747 WeakPolarHBondContact O-CA 3.47Å; W739-L748 HydrophobicContact CB-CB 4.15Å; W739-L748 PolarHBondContact N-O 3.14Å; W739-L748 PolarHBondContact O-N 3.2Å; W739-M750 HydrophobicContact CZ2-SD 4.45Å; W739-V771 HydrophobicContact CE3-CG1 4.33Å; W739-V771 HydrophobicContact CH2-CG1 3.45Å; W739-V771 VanDerWaalsContact CH2-CG1 3.45Å; W739-V771 HydrophobicContact CZ3-CG1 3.33Å; W739-L773 HydrophobicContact CH2-CD2 3.87Å; W739-L773 HydrophobicContact CZ3-CD2 4.37Å; W739-L792 HydrophobicContact CH2-CD1 4.31Å; W739-L792 HydrophobicContact CH2-CD2 4.07Å; W739-L792 HydrophobicContact CZ2-CD1 4.42Å; W739-L792 HydrophobicContact CZ2-CD2 4.23Å
740Q89.4Confident83.5Confident18 Ų1864 Ų648%0.08436%0.355CS..EExtended strand (participates in β ladder)trans-118.6132.7-179.9-174.1-176.2-4.300109.7V726 N731 L733 E744 I747V726-Q740 PolarHBondContact N-O 3.09Å; V726-Q740 PolarHBondContact O-N 2.91Å; N731-Q740 PolarHBondContact ND2-OE1 3.35Å; N731-Q740 VanDerWaalsContact ND2-OE1 3.09Å; L733-Q740 VanDerWaalsContact CD1-NE2 3.25Å; Q740-E744 PolarHBondContact NE2-OE1 3.46Å; Q740-E744 VanDerWaalsContact NE2-OE1 3.15Å; Q740-I747 HydrophobicContact CG-CG1 4.45Å
741S89.1Confident83.1Confident3 Ų361.9 Ų61.92%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-71.3150.7171.8-170.70000111.8P723 V724 D743 E744 V746P723-S741 WeakPolarHBondContact CB-OG 3.38Å; V724-S741 WeakPolarHBondContact O-CA 3.29Å; S741-D743 PolarHBondContact O-N 3.38Å; S741-E744 WeakPolarHBondContact O-CA 3.27Å; S741-E744 PolarHBondContact O-N 2.79Å; S741-V746 PolarHBondContact N-O 3.28Å
742V83.2Confident82.6Confident25 Ų2563.9 Ų63.915%0.15235%0.35CS..THydrogen-bonded Turntrans-55.6-33.5175.4179.30000112.8R634 L706 C709 V724 V726 E744R634-V742 HydrophobicContact CG-CG1 4.3Å; L706-V742 HydrophobicContact CD2-CG1 3.89Å; C709-V742 HydrophobicContact CB-CG2 3.77Å; V724-V742 HydrophobicContact CB-CG2 4.08Å; V724-V742 PolarHBondContact O-N 3.07Å; V726-V742 HydrophobicContact CG2-CG2 4.26Å; V742-E744 VanDerWaalsContact C-N 3.33Å
743D79.2Confident82.2Confident98 Ų9860 Ų6052%0.52432%0.315SS..THydrogen-bonded Turntrans-90.54.6176.4-65.9-40.7000113.4R634 S741 S745R634-D743 IonicContact NH1-OD1 3.36Å; S741-D743 PolarHBondContact O-N 3.38Å; D743-S745 PolarHBondContact O-N 3.28Å
744E80Confident81.9Confident94 Ų9462.9 Ų62.944%0.43933%0.33SS..SBendtrans60.93.9-177.8-44.6-167.7144.300115.1Q740 S741 V742 V746Q740-E744 PolarHBondContact NE2-OE1 3.46Å; Q740-E744 VanDerWaalsContact NE2-OE1 3.15Å; S741-E744 WeakPolarHBondContact O-CA 3.27Å; S741-E744 PolarHBondContact O-N 2.79Å; V742-E744 VanDerWaalsContact C-N 3.33Å; E744-V746 VanDerWaalsContact C-N 3.29Å; E744-V746 PolarHBondContact O-N 2.95Å
745S81.2Confident81.3Confident89 Ų8961.4 Ų61.462%0.62233%0.328SS*.SBendtrans-70.7-22.3-177.864.70000114.1D743D743-S745 PolarHBondContact O-N 3.28Å
746V84.8Confident80.8Confident33 Ų3363 Ų6320%0.233%0.333CS..  trans-130.7120.2-178.1-178.80000108.7L725 S741 E744 L748L725-V746 HydrophobicContact CD2-CG1 4.32Å; S741-V746 PolarHBondContact N-O 3.28Å; E744-V746 VanDerWaalsContact C-N 3.29Å; E744-V746 PolarHBondContact O-N 2.95Å; V746-L748 HydrophobicContact CG1-CD1 4.31Å; V746-L748 HydrophobicContact CG1-CD2 4.26Å; V746-L748 HydrophobicContact CG1-CG 3.95Å
747I85.6Confident80.2Confident67 Ų6761 Ų6134%0.34433%0.326SS..EExtended strand (participates in β ladder)trans-122.3120.4173.7-59.3165.4000107.3L733 W739 Q740L733-I747 HydrophobicContact CB-CD1 4.14Å; L733-I747 HydrophobicContact CD1-CD1 4.36Å; W739-I747 CarbonylContact O-C 3.56Å; W739-I747 WeakPolarHBondContact O-CA 3.47Å; Q740-I747 HydrophobicContact CG-CG1 4.45Å
748L85.5Confident79.4Confident51 Ų5159.4 Ų59.427%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-119.5135.5177.7-57.5172.1000109.3L725 H738 W739 V746 L765 Y769L725-L748 HydrophobicContact CD1-CD1 3.9Å; H738-L748 WeakPolarHBondContact CB-O 3.42Å; W739-L748 HydrophobicContact CB-CB 4.15Å; W739-L748 PolarHBondContact N-O 3.14Å; W739-L748 PolarHBondContact O-N 3.2Å; V746-L748 HydrophobicContact CG1-CD1 4.31Å; V746-L748 HydrophobicContact CG1-CD2 4.26Å; V746-L748 HydrophobicContact CG1-CG 3.95Å; L748-L765 HydrophobicContact CD1-CD1 3.87Å; L748-Y769 HydrophobicContact CD1-CD2 4.45Å; L748-Y769 HydrophobicContact CD1-CE2 4.07Å
749P83.2Confident78.6Confident86 Ų8665.8 Ų65.856%0.55835%0.35SS*.EExtended strand (participates in β ladder)trans-64.6157.4175.728.3-34.8000110.9L751P749-L751 PolarHBondContact O-N 3.45Å
750M80.3Confident78.1Confident39 Ų3971.9 Ų71.919%0.19238%0.377CS..PPolyproline II helixtrans-58.2137173.7-171.359168.800110.6L727 W737 W739 D752 L781 F788L727-M750 HydrophobicContact CD1-CE 4.46Å; L727-M750 HydrophobicContact CD1-SD 3.92Å; W737-M750 VanDerWaalsContact O-CB 3.31Å; W737-M750 WeakPolarHBondContact O-CB 3.25Å; W739-M750 HydrophobicContact CZ2-SD 4.45Å; M750-D752 PolarHBondContact O-N 2.95Å; M750-L781 HydrophobicContact CE-CD2 3.62Å; M750-F788 HydrophobicContact CE-CD1 4.13Å; M750-F788 HydrophobicContact CE-CE1 3.53Å; M750-F788 HydrophobicContact CE-CZ 4.27Å
751L77.3Confident77.7Confident24 Ų2475.4 Ų75.413%0.12639%0.392CS..PPolyproline II helixtrans-61.2130.8177.5-74.1161000109.6P749 V753 K761 L762 F788P749-L751 PolarHBondContact O-N 3.45Å; L751-V753 WeakPolarHBondContact O-CG2 3.42Å; L751-V753 PolarHBondContact O-N 3.12Å; L751-K761 HydrophobicContact CD2-CB 3.52Å; L751-K761 HydrophobicContact CD2-CD 4.08Å; L751-K761 HydrophobicContact CD2-CG 4.44Å; L751-L762 HydrophobicContact CD1-CB 4.15Å; L751-L762 HydrophobicContact CD1-CD1 4.16Å; L751-F788 HydrophobicContact CB-CZ 4.48Å; L751-F788 HydrophobicContact CD1-CE2 4.45Å; L751-F788 HydrophobicContact CD1-CZ 4.19Å
752D71.2Confident77.3Confident99 Ų9975.5 Ų75.553%0.52939%0.392SS..  trans-62.8108170.8-1772.6000109.3M750 N754 A755 A758M750-D752 PolarHBondContact O-N 2.95Å; D752-N754 VanDerWaalsContact C-N 3.27Å; D752-N754 PolarHBondContact O-N 2.94Å; D752-N754 PolarHBondContact OD1-N 3.5Å; D752-N754 VanDerWaalsContact OD1-N 3.13Å; D752-A755 HydrophobicContact CB-CB 4.3Å; D752-A755 WeakPolarHBondContact O-CB 3.33Å; D752-A755 PolarHBondContact O-N 3.28Å; D752-A758 WeakPolarHBondContact O-CB 3.45Å
753V66.6Low77.3Confident34 Ų3478 Ų7821%0.20640%0.404CS..THydrogen-bonded Turntrans-72.3-24.5-173-173.10000111.5L751 A755 N785 F788L751-V753 WeakPolarHBondContact O-CG2 3.42Å; L751-V753 PolarHBondContact O-N 3.12Å; V753-A755 VanDerWaalsContact C-N 3.34Å; V753-N785 HydrophobicContact CG1-CB 4.02Å; V753-F788 HydrophobicContact CG1-CB 3.73Å; V753-F788 HydrophobicContact CG1-CD2 4.17Å; V753-F788 HydrophobicContact CG1-CG 4.11Å; V753-F788 HydrophobicContact CG2-CD2 4.37Å; V753-F788 HydrophobicContact CG2-CG 4.24Å
754N67.8Low77.5Confident143 Ų14377.4 Ų77.477%0.76540%0.398SS*.THydrogen-bonded Turntrans-83.7-12.4-179.2-67.3-28.5000112.7D752D752-N754 VanDerWaalsContact C-N 3.27Å; D752-N754 PolarHBondContact O-N 2.94Å; D752-N754 PolarHBondContact OD1-N 3.5Å; D752-N754 VanDerWaalsContact OD1-N 3.13Å
755A68.6Low77.7Confident27 Ų2773.7 Ų73.722%0.22338%0.381CS..SBendtrans-67134.2176.900000110.7D752 V753 D757 A758D752-A755 HydrophobicContact CB-CB 4.3Å; D752-A755 WeakPolarHBondContact O-CB 3.33Å; D752-A755 PolarHBondContact O-N 3.28Å; V753-A755 VanDerWaalsContact C-N 3.34Å; A755-D757 PolarHBondContact O-N 3.13Å; A755-A758 VanDerWaalsContact O-CB 3.23Å; A755-A758 WeakPolarHBondContact O-CB 3.22Å; A755-A758 PolarHBondContact O-N 3.19Å
756K70.4Confident77.9Confident212 Ų21270.7 Ų70.792%0.92236%0.358SS*.THydrogen-bonded Turntrans-53.9-27.5172.2-72.6-177.9178.11770112.2
757D72.3Confident78Confident97 Ų9776.3 Ų76.352%0.51938%0.382SS..THydrogen-bonded Turntrans-87.1-0-179.4-55.8-28.7000114.2A755 K759 F760 K761A755-D757 PolarHBondContact O-N 3.13Å; D757-K759 VanDerWaalsContact C-N 3.26Å; D757-K759 PolarHBondContact O-N 3.06Å; D757-F760 PolarHBondContact O-N 3.1Å; D757-K761 HydrophobicContact CB-CG 4.48Å; D757-K761 PolarHBondContact O-N 3.32Å
758A71.9Confident78Confident9 Ų979.8 Ų79.87%0.07440%0.395CS..Hα-helixtrans-54.3-42-174.700000112.6D752 A755 F760 K761 L762D752-A758 WeakPolarHBondContact O-CB 3.45Å; A755-A758 VanDerWaalsContact O-CB 3.23Å; A755-A758 WeakPolarHBondContact O-CB 3.22Å; A755-A758 PolarHBondContact O-N 3.19Å; A758-F760 PolarHBondContact O-N 3.36Å; A758-K761 PolarHBondContact O-N 2.75Å; A758-L762 VanDerWaalsContact O-CB 3.27Å; A758-L762 WeakPolarHBondContact O-CB 3.49Å; A758-L762 PolarHBondContact O-N 2.9Å
759K73.7Confident78.3Confident134 Ų13479.9 Ų79.958%0.58339%0.392SS*.Hα-helixtrans-63.4-41.3176.9-174.7-179.7179-176.60112.3D757 L763D757-K759 VanDerWaalsContact C-N 3.26Å; D757-K759 PolarHBondContact O-N 3.06Å; K759-L763 WeakPolarHBondContact O-CG 3.36Å; K759-L763 PolarHBondContact O-N 2.88Å
760F79.2Confident78.7Confident128 Ų12876 Ų7656%0.56137%0.367SS*.Hα-helixtrans-70.8-43.7-179.7-177.5-105.2000111.2D757 A758 L762 L763 Q764D757-F760 PolarHBondContact O-N 3.1Å; A758-F760 PolarHBondContact O-N 3.36Å; F760-L762 VanDerWaalsContact C-N 3.32Å; F760-L762 PolarHBondContact O-N 3.02Å; F760-L763 PolarHBondContact O-N 3.28Å; F760-Q764 HydrophobicContact CD1-CG 4.43Å; F760-Q764 HydrophobicContact CE1-CG 4.19Å; F760-Q764 HydrophobicContact CZ-CG 4.4Å; F760-Q764 WeakPolarHBondContact O-CG 3.35Å; F760-Q764 PolarHBondContact O-N 3.39Å
761K80.1Confident79.3Confident91 Ų9174.3 Ų74.340%0.39636%0.358SS..Hα-helixtrans-61.9-39.5174.5-67.6-176.7-179.7179.30112L751 D757 A758 Q764 L765L751-K761 HydrophobicContact CD2-CB 3.52Å; L751-K761 HydrophobicContact CD2-CD 4.08Å; L751-K761 HydrophobicContact CD2-CG 4.44Å; D757-K761 HydrophobicContact CB-CG 4.48Å; D757-K761 PolarHBondContact O-N 3.32Å; A758-K761 PolarHBondContact O-N 2.75Å; K761-Q764 PolarHBondContact O-N 2.75Å; K761-L765 WeakPolarHBondContact O-CB 3.3Å; K761-L765 PolarHBondContact O-N 3.1Å
762L81.3Confident80.1Confident5 Ų573.1 Ų73.13%0.02635%0.352CS..Hα-helixtrans-61.7-45.6174.4177.760000111.5L751 A758 F760 Q764 L765 I766 F788 Q791 L792L751-L762 HydrophobicContact CD1-CB 4.15Å; L751-L762 HydrophobicContact CD1-CD1 4.16Å; A758-L762 VanDerWaalsContact O-CB 3.27Å; A758-L762 WeakPolarHBondContact O-CB 3.49Å; A758-L762 PolarHBondContact O-N 2.9Å; F760-L762 VanDerWaalsContact C-N 3.32Å; F760-L762 PolarHBondContact O-N 3.02Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3.19Å; L762-L765 WeakPolarHBondContact O-CB 3.5Å; L762-L765 PolarHBondContact O-N 2.75Å; L762-I766 HydrophobicContact CD1-CD1 3.76Å; L762-I766 HydrophobicContact CD1-CG1 4.15Å; L762-I766 HydrophobicContact CD2-CD1 4.45Å; L762-I766 HydrophobicContact CG-CD1 3.68Å; L762-I766 WeakPolarHBondContact O-CD1 3.27Å; L762-I766 VanDerWaalsContact O-CG1 3.3Å; L762-I766 WeakPolarHBondContact O-CG1 3.19Å; L762-I766 PolarHBondContact O-N 3.42Å; L762-F788 HydrophobicContact CD1-CZ 4.39Å; L762-F788 HydrophobicContact CD2-CE2 4.07Å; L762-Q791 HydrophobicContact CD2-CB 4.15Å; L762-L792 HydrophobicContact CD1-CD1 3.68Å
763L82.5Confident81.2Confident79 Ų7968.4 Ų68.441%0.41433%0.327SS..Hα-helixtrans-62.2-40.5176.3-72.6171000112.3K759 F760 L765 I766 Q767K759-L763 WeakPolarHBondContact O-CG 3.36Å; K759-L763 PolarHBondContact O-N 2.88Å; F760-L763 PolarHBondContact O-N 3.28Å; L763-L765 VanDerWaalsContact C-N 3.32Å; L763-L765 PolarHBondContact O-N 3.26Å; L763-I766 PolarHBondContact O-N 3.43Å; L763-Q767 WeakPolarHBondContact O-CB 3.43Å; L763-Q767 PolarHBondContact O-N 3.07Å
764Q83.9Confident82.4Confident84 Ų8467.3 Ų67.339%0.39332%0.32SS..Hα-helixtrans-62.2-40173.8-72.6-173.9-19.100112.1F760 K761 L762 K768F760-Q764 HydrophobicContact CD1-CG 4.43Å; F760-Q764 HydrophobicContact CE1-CG 4.19Å; F760-Q764 HydrophobicContact CZ-CG 4.4Å; F760-Q764 WeakPolarHBondContact O-CG 3.35Å; F760-Q764 PolarHBondContact O-N 3.39Å; K761-Q764 PolarHBondContact O-N 2.75Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3.19Å; Q764-K768 WeakPolarHBondContact O-CG 3.45Å; Q764-K768 PolarHBondContact O-N 3.4Å
765L84.8Confident83.5Confident17 Ų1760.6 Ų60.69%0.08929%0.285CS..Hα-helixtrans-64.5-48.2177.5-173.3128.7000111L725 L748 K761 L762 L763 Q767 K768 Y769 V771L725-L765 HydrophobicContact CD1-CD1 4.11Å; L725-L765 HydrophobicContact CD1-CD2 4.22Å; L725-L765 HydrophobicContact CD1-CG 4.17Å; L748-L765 HydrophobicContact CD1-CD1 3.87Å; K761-L765 WeakPolarHBondContact O-CB 3.3Å; K761-L765 PolarHBondContact O-N 3.1Å; L762-L765 WeakPolarHBondContact O-CB 3.5Å; L762-L765 PolarHBondContact O-N 2.75Å; L763-L765 VanDerWaalsContact C-N 3.32Å; L763-L765 PolarHBondContact O-N 3.26Å; L765-Q767 VanDerWaalsContact C-N 3.33Å; L765-Q767 PolarHBondContact O-N 2.91Å; L765-K768 PolarHBondContact O-N 3.19Å; L765-Y769 HydrophobicContact CG-CD2 4.3Å; L765-Y769 WeakPolarHBondContact O-CA 3.32Å; L765-Y769 WeakPolarHBondContact O-CB 3.42Å; L765-Y769 PolarHBondContact O-N 3Å; L765-V771 HydrophobicContact CD2-CG2 3.8Å
766I85.3Confident84.5Confident25 Ų2564 Ų6413%0.12830%0.296CS..Hα-helixtrans-66.2-34.6179.7-63.6154.3000112.1R719 L762 L763 K768 Y769 K795R719-I766 PolarHBondContact NH2-O 3.21Å; L762-I766 HydrophobicContact CD1-CD1 3.76Å; L762-I766 HydrophobicContact CD1-CG1 4.15Å; L762-I766 HydrophobicContact CD2-CD1 4.45Å; L762-I766 HydrophobicContact CG-CD1 3.68Å; L762-I766 WeakPolarHBondContact O-CD1 3.27Å; L762-I766 VanDerWaalsContact O-CG1 3.3Å; L762-I766 WeakPolarHBondContact O-CG1 3.19Å; L762-I766 PolarHBondContact O-N 3.42Å; L763-I766 PolarHBondContact O-N 3.43Å; I766-K768 VanDerWaalsContact C-N 3.29Å; I766-K768 PolarHBondContact O-N 3.26Å; I766-Y769 CarbonylContact C-O 3.33Å; I766-Y769 WeakPolarHBondContact CA-O 3.48Å; I766-K795 HydrophobicContact CD1-CB 3.43Å; I766-K795 VanDerWaalsContact CD1-CB 3.43Å; I766-K795 HydrophobicContact CD1-CD 4.01Å; I766-K795 HydrophobicContact CD1-CG 3.47Å; I766-K795 VanDerWaalsContact CD1-CG 3.47Å; I766-K795 HydrophobicContact CG1-CB 4.04Å; I766-K795 HydrophobicContact CG2-CB 4.34Å
767Q85.5Confident85.4Confident152 Ų15253.9 Ų53.971%0.7125%0.252SS*.Hα-helixtrans-64.6-39.4176.3-169.3175.17.700111R719 L763 L765R719-Q767 PolarHBondContact NH1-O 3.28Å; L763-Q767 WeakPolarHBondContact O-CB 3.43Å; L763-Q767 PolarHBondContact O-N 3.07Å; L765-Q767 VanDerWaalsContact C-N 3.33Å; L765-Q767 PolarHBondContact O-N 2.91Å
768K87.1Confident86.3Confident139 Ų13949.6 Ų49.660%0.60423%0.229SC*.Hα-helixtrans-82.7-32.5-179.6-71.4-177.7178.6-175.80114.3V722 Q764 L765 I766V722-K768 WeakPolarHBondContact CG1-O 3.49Å; Q764-K768 WeakPolarHBondContact O-CG 3.45Å; Q764-K768 PolarHBondContact O-N 3.4Å; L765-K768 PolarHBondContact O-N 3.19Å; I766-K768 VanDerWaalsContact C-N 3.29Å; I766-K768 PolarHBondContact O-N 3.26Å
769Y90.4Very high87.2Confident53 Ų5352.9 Ų52.921%0.20825%0.245CC..  trans-135.4146.7-168.4-58.2-68.9000111.8R719 V722 P723 L725 L748 L765 I766R719-Y769 PolarHBondContact NH2-O 3.45Å; V722-Y769 VanDerWaalsContact CG1-CA 3.41Å; P723-Y769 HydrophobicContact CG-CD1 3.64Å; P723-Y769 HydrophobicContact CG-CE1 3.6Å; L725-Y769 HydrophobicContact CD1-CD1 4.28Å; L725-Y769 HydrophobicContact CD1-CD2 3.71Å; L725-Y769 HydrophobicContact CD1-CE2 4.46Å; L725-Y769 HydrophobicContact CD1-CG 3.58Å; L725-Y769 HydrophobicContact CG-CD1 4.33Å; L725-Y769 HydrophobicContact CG-CG 4.03Å; L748-Y769 HydrophobicContact CD1-CD2 4.45Å; L748-Y769 HydrophobicContact CD1-CE2 4.07Å; L765-Y769 HydrophobicContact CG-CD2 4.3Å; L765-Y769 WeakPolarHBondContact O-CA 3.32Å; L765-Y769 WeakPolarHBondContact O-CB 3.42Å; L765-Y769 PolarHBondContact O-N 3Å; I766-Y769 CarbonylContact C-O 3.33Å; I766-Y769 WeakPolarHBondContact CA-O 3.48Å
770D91.8Very high87.9Confident6 Ų650.4 Ų50.43%0.03223%0.233CC..EExtended strand (participates in β ladder)trans-88147.6166.8-77.3-10.2000109.1V718 R719 P723 V724 L725 K797V718-D770 WeakPolarHBondContact CA-OD2 3.36Å; V718-D770 HydrophobicContact CB-CB 4.46Å; V718-D770 WeakPolarHBondContact CB-OD2 3.49Å; V718-D770 HydrophobicContact CG1-CB 4.24Å; R719-D770 IonicContact CZ-OD1 3.4Å; R719-D770 VanDerWaalsContact CZ-OD1 3.23Å; R719-D770 PolarHBondContact N-OD2 3.39Å; R719-D770 IonicContact NE-OD1 3.77Å; R719-D770 PolarHBondContact NE-OD1 2.89Å; R719-D770 IonicContact NE-OD2 3.06Å; R719-D770 IonicContact NH2-OD1 3.94Å; R719-D770 PolarHBondContact NH2-OD1 3.15Å; P723-D770 PolarHBondContact O-N 3.23Å; V724-D770 CarbonylContact C-O 3.58Å; V724-D770 WeakPolarHBondContact CA-O 3.3Å; V724-D770 HydrophobicContact CG2-CB 4.29Å; L725-D770 PolarHBondContact N-O 2.93Å; D770-K797 HydrophobicContact CB-CD 4.26Å; D770-K797 IonicContact OD1-NZ 3.77Å; D770-K797 PolarHBondContact OD1-NZ 2.86Å; D770-K797 WeakPolarHBondContact OD2-CD 3.4Å; D770-K797 IonicContact OD2-NZ 3.79Å; D770-K797 PolarHBondContact OD2-NZ 3.3Å
771V92.8Very high88.4Confident2 Ų244.3 Ų44.31%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-119135.2-169.6177.70000111.8L725 W739 L765 L773 L792 K797 I798L725-V771 WeakPolarHBondContact O-CA 3.37Å; W739-V771 HydrophobicContact CE3-CG1 4.33Å; W739-V771 HydrophobicContact CH2-CG1 3.45Å; W739-V771 VanDerWaalsContact CH2-CG1 3.45Å; W739-V771 HydrophobicContact CZ3-CG1 3.33Å; L765-V771 HydrophobicContact CD2-CG2 3.8Å; V771-L773 HydrophobicContact CG1-CD2 4.44Å; V771-L792 HydrophobicContact CG1-CD1 4.39Å; V771-K797 PolarHBondContact O-N 3.36Å; V771-K797 VanDerWaalsContact O-N 3.12Å; V771-I798 PolarHBondContact O-N 3.22Å
772C94.4Very high88.7Confident0 Ų043 Ų430%021%0.208CC..EExtended strand (participates in β ladder)trans-115.9125173.7177.30000110.9V724 L725 V726 L727 I798V724-C772 HydrophobicContact CG1-CB 3.99Å; L725-C772 PolarHBondContact O-N 3.32Å; V726-C772 WeakPolarHBondContact CA-O 3.43Å; V726-C772 HydrophobicContact CB-CB 4.49Å; V726-C772 HydrophobicContact CG2-CB 4.01Å; L727-C772 PolarHBondContact N-O 3.24Å; L727-C772 VanDerWaalsContact N-O 3.09Å; C772-I798 CarbonylContact C-O 3.58Å; C772-I798 VanDerWaalsContact CA-O 3.29Å; C772-I798 WeakPolarHBondContact CA-O 3Å; C772-I798 HydrophobicContact CB-CB 3.96Å; C772-I798 HydrophobicContact CB-CG2 4.35Å
773L94.3Very high89Confident0 Ų051.6 Ų51.60%025%0.246CC..EExtended strand (participates in β ladder)trans-103.3132.4175.6-65.3178.1000111.2L727 W739 V771 I778 L792 A796 I798 Y799 A800L727-L773 HydrophobicContact CB-CD2 4.24Å; L727-L773 HydrophobicContact CD2-CD2 4.11Å; W739-L773 HydrophobicContact CH2-CD2 3.87Å; W739-L773 HydrophobicContact CZ3-CD2 4.37Å; V771-L773 HydrophobicContact CG1-CD2 4.44Å; L773-I778 HydrophobicContact CB-CG1 4.36Å; L773-L792 HydrophobicContact CD1-CD2 4.11Å; L773-L792 HydrophobicContact CD1-CG 4.06Å; L773-L792 HydrophobicContact CD2-CD2 3.53Å; L773-L792 HydrophobicContact CD2-CG 4.12Å; L773-L792 HydrophobicContact CG-CD2 4.39Å; L773-A796 HydrophobicContact CD1-CB 3.72Å; L773-A796 HydrophobicContact CG-CB 3.92Å; L773-I798 PolarHBondContact N-O 3.05Å; L773-Y799 HydrophobicContact CB-CD1 3.96Å; L773-Y799 HydrophobicContact CB-CE1 4.36Å; L773-Y799 HydrophobicContact CD1-CD1 4.23Å; L773-Y799 HydrophobicContact CD1-CE1 3.79Å; L773-Y799 CarbonylContact O-C 3.59Å; L773-Y799 VanDerWaalsContact O-CA 3.25Å; L773-Y799 WeakPolarHBondContact O-CA 3.49Å; L773-A800 PolarHBondContact O-N 3.34Å
774T93Very high89.1Confident11 Ų1150.6 Ų50.67%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-90.7154.1173.556.90000110.7P705 V726 L727 E776 G777 I778 A800P705-T774 HydrophobicContact CB-CG2 4.45Å; P705-T774 HydrophobicContact CG-CG2 4.35Å; V726-T774 HydrophobicContact CG1-CG2 3.86Å; L727-T774 PolarHBondContact O-OG1 2.72Å; L727-T774 VanDerWaalsContact O-OG1 3.08Å; T774-E776 VanDerWaalsContact C-N 3.27Å; T774-E776 PolarHBondContact O-N 3.06Å; T774-G777 WeakPolarHBondContact O-CA 3.44Å; T774-G777 PolarHBondContact O-N 3.37Å; T774-G777 PolarHBondContact OG1-N 2.95Å; T774-I778 WeakPolarHBondContact O-CG1 3.44Å; T774-I778 PolarHBondContact O-N 3.35Å; T774-A800 CarbonylContact C-O 3.44Å; T774-A800 VanDerWaalsContact CA-O 3.26Å; T774-A800 WeakPolarHBondContact CA-O 3.39Å
775G89.8Confident89.1Confident2 Ų248.9 Ų48.92%0.02124%0.236CC..Hα-helixtrans-54.4-41.5174.800000113.1I778 D779 A800 R801 Q806G775-I778 PolarHBondContact O-N 3.4Å; G775-D779 PolarHBondContact O-N 3.48Å; G775-A800 PolarHBondContact N-O 2.91Å; G775-R801 WeakPolarHBondContact CA-O 3.42Å; G775-Q806 PolarHBondContact O-NE2 3.3Å; G775-Q806 VanDerWaalsContact O-NE2 3.09Å
776E89.8Confident89.1Confident97 Ų9750.9 Ų50.945%0.45325%0.251SS..Hα-helixtrans-63.4-40.8173.9-67.1172.9-156.100112.2W737 T774 I778 D779 Y780W737-E776 HydrophobicContact CH2-CB 4.15Å; T774-E776 VanDerWaalsContact C-N 3.27Å; T774-E776 PolarHBondContact O-N 3.06Å; E776-I778 VanDerWaalsContact C-N 3.32Å; E776-I778 PolarHBondContact O-N 3.35Å; E776-D779 PolarHBondContact O-N 2.87Å; E776-Y780 WeakPolarHBondContact O-CB 3.05Å; E776-Y780 PolarHBondContact O-N 3.05Å
777G90.4Very high89Confident0 Ų052.8 Ų52.80%027%0.266CS..Hα-helixtrans-63-37175.300000112.7T774 L781T774-G777 WeakPolarHBondContact O-CA 3.44Å; T774-G777 PolarHBondContact O-N 3.37Å; T774-G777 PolarHBondContact OG1-N 2.95Å; G777-L781 VanDerWaalsContact O-CB 3.29Å; G777-L781 WeakPolarHBondContact O-CB 2.9Å; G777-L781 VanDerWaalsContact O-CG 3.25Å; G777-L781 WeakPolarHBondContact O-CG 3.06Å; G777-L781 PolarHBondContact O-N 2.94Å
778I91.3Very high89.1Confident8 Ų845.8 Ų45.84%0.04123%0.233CC..Hα-helixtrans-64.9-45.9174.1-64.6168.7000110.4L773 T774 G775 E776 L781 S782 L789 Y799 I810L773-I778 HydrophobicContact CB-CG1 4.36Å; T774-I778 WeakPolarHBondContact O-CG1 3.44Å; T774-I778 PolarHBondContact O-N 3.35Å; G775-I778 PolarHBondContact O-N 3.4Å; E776-I778 VanDerWaalsContact C-N 3.32Å; E776-I778 PolarHBondContact O-N 3.35Å; I778-L781 PolarHBondContact O-N 3.16Å; I778-S782 VanDerWaalsContact O-CB 3.23Å; I778-S782 WeakPolarHBondContact O-CB 3.43Å; I778-S782 PolarHBondContact O-N 3.33Å; I778-L789 HydrophobicContact CG2-CD1 4.49Å; I778-L789 HydrophobicContact CG2-CD2 4.25Å; I778-Y799 HydrophobicContact CD1-CD1 4.07Å; I778-I810 HydrophobicContact CD1-CD1 3.85Å; I778-I810 HydrophobicContact CD1-CG1 4.26Å
779D90.2Very high89.1Confident77 Ų7739.3 Ų39.341%0.41221%0.205SC..Hα-helixtrans-65.3-41.9179.6-75.5-12.5000111.9G775 E776 S782 K783 Q806G775-D779 PolarHBondContact O-N 3.48Å; E776-D779 PolarHBondContact O-N 2.87Å; D779-S782 PolarHBondContact O-N 2.87Å; D779-K783 WeakPolarHBondContact O-CG 3.24Å; D779-K783 PolarHBondContact O-N 3.46Å; D779-Q806 PolarHBondContact OD1-NE2 2.92Å; D779-Q806 PolarHBondContact OD2-NE2 3.28Å; D779-Q806 VanDerWaalsContact OD2-NE2 3.13Å
780Y89Confident88.9Confident82 Ų8243.4 Ų43.432%0.32222%0.22SC..Hα-helixtrans-59.3-50.7173.7171.5-102.1000111.3W737 E776 S782 K783 T784W737-Y780 HydrophobicContact CB-CE1 4.4Å; W737-Y780 AromaticContact CD1-CE1 3.96Å; W737-Y780 AromaticContact CD1-CE2 3.66Å; W737-Y780 AromaticContact CD1-CZ 3.62Å; W737-Y780 AromaticContact CD2-CD1 3.99Å; W737-Y780 HydrophobicContact CD2-CD1 3.99Å; W737-Y780 HydrophobicContact CD2-CE1 4.23Å; W737-Y780 HydrophobicContact CD2-CG 4.16Å; W737-Y780 AromaticContact CE2-CD1 4Å; W737-Y780 AromaticContact CE2-CD2 3.83Å; W737-Y780 AromaticContact CE2-CG 3.67Å; W737-Y780 HydrophobicContact CE3-CD1 4.46Å; W737-Y780 HydrophobicContact CG-CD1 4.2Å; W737-Y780 AromaticContact CG-CE1 3.94Å; W737-Y780 HydrophobicContact CG-CE1 3.94Å; W737-Y780 HydrophobicContact CG-CE2 4.42Å; W737-Y780 HydrophobicContact CZ2-CD1 4.49Å; W737-Y780 HydrophobicContact CZ2-CD2 4.23Å; W737-Y780 AromaticContact CZ2-CG 3.9Å; W737-Y780 HydrophobicContact CZ2-CG 3.9Å; W737-Y780 AromaticContact NE1-CD2 3.47Å; W737-Y780 AromaticContact NE1-CE2 3.55Å; W737-Y780 AromaticContact NE1-CG 3.79Å; W737-Y780 AromaticContact NE1-CZ 3.95Å; E776-Y780 WeakPolarHBondContact O-CB 3.05Å; E776-Y780 PolarHBondContact O-N 3.05Å; Y780-S782 VanDerWaalsContact C-N 3.31Å; Y780-S782 PolarHBondContact O-N 3.02Å; Y780-K783 PolarHBondContact O-N 3.22Å; Y780-T784 HydrophobicContact CD2-CG2 3.95Å; Y780-T784 HydrophobicContact CE1-CG2 4.35Å; Y780-T784 HydrophobicContact CE2-CG2 3.52Å; Y780-T784 WeakPolarHBondContact O-CB 3.35Å; Y780-T784 WeakPolarHBondContact O-CG2 3.37Å; Y780-T784 PolarHBondContact O-N 2.65Å; Y780-T784 PolarHBondContact O-OG1 3.21Å
781L88Confident88.7Confident1 Ų146.9 Ų46.91%0.00524%0.236CC..Hα-helixtrans-67.1-32.1179.3-74.6179.9000112.7L727 M750 G777 I778 K783 N785 F788 L789 L792L727-L781 HydrophobicContact CD2-CD1 3.81Å; L727-L781 HydrophobicContact CD2-CG 4.24Å; M750-L781 HydrophobicContact CE-CD2 3.62Å; G777-L781 VanDerWaalsContact O-CB 3.29Å; G777-L781 WeakPolarHBondContact O-CB 2.9Å; G777-L781 VanDerWaalsContact O-CG 3.25Å; G777-L781 WeakPolarHBondContact O-CG 3.06Å; G777-L781 PolarHBondContact O-N 2.94Å; I778-L781 PolarHBondContact O-N 3.16Å; L781-K783 VanDerWaalsContact C-N 3.34Å; L781-N785 CarbonylContact O-C 3.56Å; L781-N785 WeakPolarHBondContact O-CA 2.98Å; L781-N785 PolarHBondContact O-N 3.3Å; L781-N785 VanDerWaalsContact O-O 3.13Å; L781-F788 HydrophobicContact CD1-CD1 4.31Å; L781-F788 HydrophobicContact CD1-CE1 4.49Å; L781-F788 HydrophobicContact CD2-CD1 3.85Å; L781-F788 HydrophobicContact CD2-CE1 4.35Å; L781-L789 HydrophobicContact CB-CB 4.05Å; L781-L789 HydrophobicContact CB-CD1 4.03Å; L781-L789 HydrophobicContact CB-CD2 4.39Å; L781-L789 HydrophobicContact CB-CG 4.37Å; L781-L789 HydrophobicContact CD1-CD1 4.05Å; L781-L792 HydrophobicContact CD1-CD2 3.71Å
782S87.3Confident88.5Confident63 Ų6346.8 Ų46.844%0.44124%0.236SC..Hα-helixtrans-67-36.5175.6-173.10000111.9I778 D779 Y780I778-S782 VanDerWaalsContact O-CB 3.23Å; I778-S782 WeakPolarHBondContact O-CB 3.43Å; I778-S782 PolarHBondContact O-N 3.33Å; D779-S782 PolarHBondContact O-N 2.87Å; Y780-S782 VanDerWaalsContact C-N 3.31Å; Y780-S782 PolarHBondContact O-N 3.02Å
783K87.1Confident88.4Confident186 Ų18646.9 Ų46.981%0.80924%0.236SC*.Hα-helixtrans-78.9-40.2177.9-71.2174.5-176.6173.70112.5D779 Y780 L781D779-K783 WeakPolarHBondContact O-CG 3.24Å; D779-K783 PolarHBondContact O-N 3.46Å; Y780-K783 PolarHBondContact O-N 3.22Å; L781-K783 VanDerWaalsContact C-N 3.34Å
784T84.6Confident88.1Confident58 Ų5847.1 Ų47.136%0.35624%0.238SC..Hα-helixtrans-84.6-53.3-175.953.90000112.7Y780Y780-T784 HydrophobicContact CD2-CG2 3.95Å; Y780-T784 HydrophobicContact CE1-CG2 4.35Å; Y780-T784 HydrophobicContact CE2-CG2 3.52Å; Y780-T784 WeakPolarHBondContact O-CB 3.35Å; Y780-T784 WeakPolarHBondContact O-CG2 3.37Å; Y780-T784 PolarHBondContact O-N 2.65Å; Y780-T784 PolarHBondContact O-OG1 3.21Å
785N83.5Confident88Confident47 Ų4748.1 Ų48.125%0.25124%0.241SC..  trans-147.781.2-169.2-78.3-51.4000112.8V753 L781 S787 F788 L789V753-N785 HydrophobicContact CG1-CB 4.02Å; L781-N785 CarbonylContact O-C 3.56Å; L781-N785 WeakPolarHBondContact O-CA 2.98Å; L781-N785 PolarHBondContact O-N 3.3Å; L781-N785 VanDerWaalsContact O-O 3.13Å; N785-S787 PolarHBondContact O-N 2.98Å; N785-S787 VanDerWaalsContact O-N 3.16Å; N785-F788 HydrophobicContact CB-CB 4.07Å; N785-F788 PolarHBondContact O-N 2.9Å; N785-L789 PolarHBondContact O-N 2.91Å
786P84.6Confident88.1Confident60 Ų6048 Ų4839%0.3924%0.24SC..Hα-helixtrans-67.3-18-178.227.5-36.1000113.7R790P786-R790 VanDerWaalsContact O-CG 3.32Å; P786-R790 WeakPolarHBondContact O-CG 3.44Å; P786-R790 PolarHBondContact O-N 3.29Å; P786-R790 PolarHBondContact O-NE 3.35Å
787S85.2Confident88.2Confident65 Ų6545 Ų4546%0.45523%0.226SC..Hα-helixtrans-73.8-41.5174.855.10000112N785 R790 Q791N785-S787 PolarHBondContact O-N 2.98Å; N785-S787 VanDerWaalsContact O-N 3.16Å; S787-R790 PolarHBondContact O-N 3.39Å; S787-Q791 PolarHBondContact O-N 3.02Å
788F86Confident88.5Confident5 Ų545 Ų452%0.02223%0.226CC..Hα-helixtrans-67.9-44.2176.8-176.3-101.8000111M750 L751 V753 L762 L781 N785 R790 Q791 L792M750-F788 HydrophobicContact CE-CD1 4.13Å; M750-F788 HydrophobicContact CE-CE1 3.53Å; M750-F788 HydrophobicContact CE-CZ 4.27Å; L751-F788 HydrophobicContact CB-CZ 4.48Å; L751-F788 HydrophobicContact CD1-CE2 4.45Å; L751-F788 HydrophobicContact CD1-CZ 4.19Å; V753-F788 HydrophobicContact CG1-CB 3.73Å; V753-F788 HydrophobicContact CG1-CD2 4.17Å; V753-F788 HydrophobicContact CG1-CG 4.11Å; V753-F788 HydrophobicContact CG2-CD2 4.37Å; V753-F788 HydrophobicContact CG2-CG 4.24Å; L762-F788 HydrophobicContact CD1-CZ 4.39Å; L762-F788 HydrophobicContact CD2-CE2 4.07Å; L781-F788 HydrophobicContact CD1-CD1 4.31Å; L781-F788 HydrophobicContact CD1-CE1 4.49Å; L781-F788 HydrophobicContact CD2-CD1 3.85Å; L781-F788 HydrophobicContact CD2-CE1 4.35Å; N785-F788 HydrophobicContact CB-CB 4.07Å; N785-F788 PolarHBondContact O-N 2.9Å; F788-R790 VanDerWaalsContact C-N 3.28Å; F788-R790 PolarHBondContact O-N 3.31Å; F788-Q791 PolarHBondContact O-N 3.45Å; F788-L792 HydrophobicContact CD1-CD2 4.41Å; F788-L792 HydrophobicContact CE1-CD2 3.86Å; F788-L792 WeakPolarHBondContact O-CB 3.33Å; F788-L792 PolarHBondContact O-N 3.35Å
789L87.8Confident88.7Confident2 Ų244.8 Ų44.81%0.0122%0.224CC..Hα-helixtrans-53.2-46.3174.2-177.657.4000112I778 L781 N785 Q791 L792 I793I778-L789 HydrophobicContact CG2-CD1 4.49Å; I778-L789 HydrophobicContact CG2-CD2 4.25Å; L781-L789 HydrophobicContact CB-CB 4.05Å; L781-L789 HydrophobicContact CB-CD1 4.03Å; L781-L789 HydrophobicContact CB-CD2 4.39Å; L781-L789 HydrophobicContact CB-CG 4.37Å; L781-L789 HydrophobicContact CD1-CD1 4.05Å; N785-L789 PolarHBondContact O-N 2.91Å; L789-Q791 VanDerWaalsContact C-N 3.26Å; L789-Q791 PolarHBondContact O-N 3.13Å; L789-L792 PolarHBondContact O-N 3.42Å; L789-L792 VanDerWaalsContact O-N 3.11Å; L789-I793 HydrophobicContact CD1-CD1 3.96Å; L789-I793 HydrophobicContact CD1-CG1 3.99Å; L789-I793 HydrophobicContact CD2-CD1 4.5Å; L789-I793 HydrophobicContact CG-CD1 3.79Å; L789-I793 HydrophobicContact CG-CG1 4.29Å; L789-I793 WeakPolarHBondContact O-CG1 3.25Å; L789-I793 PolarHBondContact O-N 3.13Å
790R87Confident88.8Confident140 Ų14041.1 Ų41.153%0.52820%0.204SC..Hα-helixtrans-60.3-33177.7-79.2-178-113.8177.8-7.6113.3P786 S787 F788 P794 M817P786-R790 VanDerWaalsContact O-CG 3.32Å; P786-R790 WeakPolarHBondContact O-CG 3.44Å; P786-R790 PolarHBondContact O-N 3.29Å; P786-R790 PolarHBondContact O-NE 3.35Å; S787-R790 PolarHBondContact O-N 3.39Å; F788-R790 VanDerWaalsContact C-N 3.28Å; F788-R790 PolarHBondContact O-N 3.31Å; R790-P794 VanDerWaalsContact O-CD 3.26Å; R790-P794 WeakPolarHBondContact O-CD 3.49Å; R790-M817 WeakPolarHBondContact O-CE 3.27Å
791Q85.9Confident88.8Confident79 Ų7941.9 Ų41.937%0.36921%0.207SC..Hα-helixtrans-77.1-31.3177.1-66179.918.300112.2L762 S787 F788 L789 K795L762-Q791 HydrophobicContact CD2-CB 4.15Å; S787-Q791 PolarHBondContact O-N 3.02Å; F788-Q791 PolarHBondContact O-N 3.45Å; L789-Q791 VanDerWaalsContact C-N 3.26Å; L789-Q791 PolarHBondContact O-N 3.13Å; Q791-K795 WeakPolarHBondContact O-CG 3.35Å
792L88.8Confident89Confident0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-80.6-38.3-174.7-169.462.6000113W739 L762 V771 L773 L781 F788 L789 K795 A796W739-L792 HydrophobicContact CH2-CD1 4.31Å; W739-L792 HydrophobicContact CH2-CD2 4.07Å; W739-L792 HydrophobicContact CZ2-CD1 4.42Å; W739-L792 HydrophobicContact CZ2-CD2 4.23Å; L762-L792 HydrophobicContact CD1-CD1 3.68Å; V771-L792 HydrophobicContact CG1-CD1 4.39Å; L773-L792 HydrophobicContact CD1-CD2 4.11Å; L773-L792 HydrophobicContact CD1-CG 4.06Å; L773-L792 HydrophobicContact CD2-CD2 3.53Å; L773-L792 HydrophobicContact CD2-CG 4.12Å; L773-L792 HydrophobicContact CG-CD2 4.39Å; L781-L792 HydrophobicContact CD1-CD2 3.71Å; F788-L792 HydrophobicContact CD1-CD2 4.41Å; F788-L792 HydrophobicContact CE1-CD2 3.86Å; F788-L792 WeakPolarHBondContact O-CB 3.33Å; F788-L792 PolarHBondContact O-N 3.35Å; L789-L792 PolarHBondContact O-N 3.42Å; L789-L792 VanDerWaalsContact O-N 3.11Å; L792-K795 CarbonylContact O-C 3.6Å; L792-K795 WeakPolarHBondContact O-CA 3.26Å; L792-K795 WeakPolarHBondContact O-CB 3.33Å; L792-K795 PolarHBondContact O-N 3.02Å; L792-A796 PolarHBondContact O-N 3.14Å
793I92Very high89Confident1 Ų141.3 Ų41.31%0.00521%0.206CC..G310 helixtrans-49-58.4179.9-77.8167.6000113.1L789 K795 A796 Y799 I810 Q813 L814L789-I793 HydrophobicContact CD1-CD1 3.96Å; L789-I793 HydrophobicContact CD1-CG1 3.99Å; L789-I793 HydrophobicContact CD2-CD1 4.5Å; L789-I793 HydrophobicContact CG-CD1 3.79Å; L789-I793 HydrophobicContact CG-CG1 4.29Å; L789-I793 WeakPolarHBondContact O-CG1 3.25Å; L789-I793 PolarHBondContact O-N 3.13Å; I793-K795 PolarHBondContact O-N 2.86Å; I793-A796 PolarHBondContact O-N 2.97Å; I793-A796 VanDerWaalsContact O-N 3.12Å; I793-Y799 VanDerWaalsContact CA-OH 3.31Å; I793-Y799 WeakPolarHBondContact CA-OH 3.34Å; I793-Y799 HydrophobicContact CG1-CE1 4.49Å; I793-Y799 WeakPolarHBondContact CG2-OH 3.46Å; I793-Y799 PolarHBondContact O-OH 3.29Å; I793-I810 HydrophobicContact CG2-CG2 4.25Å; I793-Q813 HydrophobicContact CD1-CB 4.09Å; I793-Q813 HydrophobicContact CD1-CG 4.44Å; I793-L814 HydrophobicContact CG2-CD1 4.45Å; I793-L814 HydrophobicContact CG2-CD2 3.58Å; I793-L814 HydrophobicContact CG2-CG 3.72Å
794P90Very high88.8Confident5 Ų535.5 Ų35.53%0.03219%0.187CC..G310 helixtrans-64.6-12.3-177.727.7-36.9000114.1R790 L814 M817 Y819 L1169R790-P794 VanDerWaalsContact O-CD 3.26Å; R790-P794 WeakPolarHBondContact O-CD 3.49Å; P794-L814 HydrophobicContact CB-CD2 3.97Å; P794-M817 HydrophobicContact CG-CE 3.73Å; P794-M817 HydrophobicContact CG-SD 4.09Å; P794-Y819 HydrophobicContact CB-CD2 4.35Å; P794-Y819 HydrophobicContact CB-CE2 3.71Å; P794-Y819 HydrophobicContact CG-CE2 4.25Å; P794-L1169 HydrophobicContact CB-CD2 3.76Å
795K89.3Confident88.7Confident32 Ų3241 Ų4114%0.13921%0.206CC..G310 helixtrans-100.1-17.2-179-54.5-63.7-173.8177.60112.9I766 Q791 L792 I793 S1168 L1169I766-K795 HydrophobicContact CD1-CB 3.43Å; I766-K795 VanDerWaalsContact CD1-CB 3.43Å; I766-K795 HydrophobicContact CD1-CD 4.01Å; I766-K795 HydrophobicContact CD1-CG 3.47Å; I766-K795 VanDerWaalsContact CD1-CG 3.47Å; I766-K795 HydrophobicContact CG1-CB 4.04Å; I766-K795 HydrophobicContact CG2-CB 4.34Å; Q791-K795 WeakPolarHBondContact O-CG 3.35Å; L792-K795 CarbonylContact O-C 3.6Å; L792-K795 WeakPolarHBondContact O-CA 3.26Å; L792-K795 WeakPolarHBondContact O-CB 3.33Å; L792-K795 PolarHBondContact O-N 3.02Å; I793-K795 PolarHBondContact O-N 2.86Å; K795-S1168 PolarHBondContact NZ-O 3.16Å; K795-S1168 VanDerWaalsContact NZ-O 3.14Å; K795-L1169 WeakPolarHBondContact CD-OXT 3.18Å; K795-L1169 VanDerWaalsContact CE-OXT 3.3Å; K795-L1169 WeakPolarHBondContact CE-OXT 3.38Å; K795-L1169 PolarHBondContact NZ-OXT 3.26Å
796A91.8Very high89Confident0 Ų040 Ų400%020%0.2CC..  trans-76.8128.4177.400000110.2S698 L773 L792 I793 Y799S698-A796 PolarHBondContact OG-O 2.91Å; L773-A796 HydrophobicContact CD1-CB 3.72Å; L773-A796 HydrophobicContact CG-CB 3.92Å; L792-A796 PolarHBondContact O-N 3.14Å; I793-A796 PolarHBondContact O-N 2.97Å; I793-A796 VanDerWaalsContact O-N 3.12Å; A796-Y799 HydrophobicContact CB-CE1 4.09Å; A796-Y799 HydrophobicContact CB-CE2 4.12Å
797K93.3Very high89.3Confident35 Ų3537.4 Ų37.415%0.15218%0.182CC..SBendtrans-90.2-29.2177.4-71.9-169.9175.7-174.30112.4S698 M699 I717 V718 D770 V771S698-K797 CarbonylContact C-O 3.55Å; S698-K797 WeakPolarHBondContact CA-O 3.41Å; M699-K797 PolarHBondContact N-O 2.71Å; I717-K797 HydrophobicContact CG2-CB 4.47Å; I717-K797 WeakPolarHBondContact O-CD 3.49Å; I717-K797 PolarHBondContact O-NZ 3.08Å; V718-K797 HydrophobicContact CG1-CB 4.35Å; V718-K797 HydrophobicContact CG1-CD 4.16Å; D770-K797 HydrophobicContact CB-CD 4.26Å; D770-K797 IonicContact OD1-NZ 3.77Å; D770-K797 PolarHBondContact OD1-NZ 2.86Å; D770-K797 WeakPolarHBondContact OD2-CD 3.4Å; D770-K797 IonicContact OD2-NZ 3.79Å; D770-K797 PolarHBondContact OD2-NZ 3.3Å; V771-K797 PolarHBondContact O-N 3.36Å; V771-K797 VanDerWaalsContact O-N 3.12Å
798I95.5Very high89.5Confident0 Ų037 Ų370%017%0.173CC..EExtended strand (participates in β ladder)trans-126.1135.9-176.9-56.1169.7000108.7M699 A708 C709 S712 V718 V724 V771 C772 L773M699-I798 CarbonylContact O-C 3.59Å; M699-I798 WeakPolarHBondContact O-CA 3.48Å; A708-I798 HydrophobicContact CB-CG2 3.83Å; C709-I798 HydrophobicContact CB-CD1 4.27Å; S712-I798 WeakPolarHBondContact OG-CD1 3.42Å; V718-I798 HydrophobicContact CG1-CD1 3.62Å; V718-I798 HydrophobicContact CG1-CG1 4.12Å; V724-I798 HydrophobicContact CG1-CD1 4.28Å; V771-I798 PolarHBondContact O-N 3.22Å; C772-I798 CarbonylContact C-O 3.58Å; C772-I798 VanDerWaalsContact CA-O 3.29Å; C772-I798 WeakPolarHBondContact CA-O 3Å; C772-I798 HydrophobicContact CB-CB 3.96Å; C772-I798 HydrophobicContact CB-CG2 4.35Å; L773-I798 PolarHBondContact N-O 3.05Å
799Y96.1Very high89.6Confident2 Ų239.2 Ų39.21%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-123.6120.9167.8-55.6-100.7000108M699 I700 T701 L773 I778 I793 A796 I810M699-Y799 PolarHBondContact O-N 2.99Å; I700-Y799 HydrophobicContact CD1-CD2 4.45Å; I700-Y799 HydrophobicContact CG1-CD2 3.7Å; I700-Y799 HydrophobicContact CG1-CE2 4.36Å; I700-Y799 HydrophobicContact CG1-CG 4.25Å; T701-Y799 PolarHBondContact N-O 3.37Å; L773-Y799 HydrophobicContact CB-CD1 3.96Å; L773-Y799 HydrophobicContact CB-CE1 4.36Å; L773-Y799 HydrophobicContact CD1-CD1 4.23Å; L773-Y799 HydrophobicContact CD1-CE1 3.79Å; L773-Y799 CarbonylContact O-C 3.59Å; L773-Y799 VanDerWaalsContact O-CA 3.25Å; L773-Y799 WeakPolarHBondContact O-CA 3.49Å; I778-Y799 HydrophobicContact CD1-CD1 4.07Å; I793-Y799 VanDerWaalsContact CA-OH 3.31Å; I793-Y799 WeakPolarHBondContact CA-OH 3.34Å; I793-Y799 HydrophobicContact CG1-CE1 4.49Å; I793-Y799 WeakPolarHBondContact CG2-OH 3.46Å; I793-Y799 PolarHBondContact O-OH 3.29Å; A796-Y799 HydrophobicContact CB-CE1 4.09Å; A796-Y799 HydrophobicContact CB-CE2 4.12Å; Y799-I810 HydrophobicContact CD1-CD1 3.62Å; Y799-I810 HydrophobicContact CD1-CG1 4.33Å; Y799-I810 HydrophobicContact CE1-CD1 3.98Å; Y799-I810 HydrophobicContact CE1-CG1 4.2Å; Y799-I810 HydrophobicContact CE1-CG2 4.06Å; Y799-I810 HydrophobicContact CE2-CG2 4.4Å; Y799-I810 HydrophobicContact CG-CD1 4.05Å
800A92.5Very high89.9Confident0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-123.2157.6-174.500000111.2T701 P705 A708 L773 T774 G775 V802T701-A800 CarbonylContact O-C 3.56Å; T701-A800 WeakPolarHBondContact O-CA 3.3Å; P705-A800 HydrophobicContact CB-CB 3.86Å; A708-A800 HydrophobicContact CB-CB 4.27Å; L773-A800 PolarHBondContact O-N 3.34Å; T774-A800 CarbonylContact C-O 3.44Å; T774-A800 VanDerWaalsContact CA-O 3.26Å; T774-A800 WeakPolarHBondContact CA-O 3.39Å; G775-A800 PolarHBondContact N-O 2.91Å; A800-V802 PolarHBondContact O-N 3.22Å
801R89.5Confident90.1Very high98 Ų9832.6 Ų32.637%0.3716%0.164SC..SBendtrans4937.8-173.5-63.6-173-179.6-175.13.2113.3T701 G702 D703 G775T701-R801 PolarHBondContact O-N 3.42Å; G702-R801 WeakPolarHBondContact O-CA 3.43Å; D703-R801 PolarHBondContact O-N 2.82Å; G775-R801 WeakPolarHBondContact CA-O 3.42Å
802V91.2Very high90.2Very high6 Ų629.9 Ų29.94%0.03615%0.153CC..  trans-90.4125.2-176.8-173.20000110.3I700 T701 A800 Q806 K807 I810I700-V802 HydrophobicContact CG2-CB 4.42Å; I700-V802 HydrophobicContact CG2-CG1 4.31Å; I700-V802 HydrophobicContact CG2-CG2 4.45Å; T701-V802 PolarHBondContact O-N 3.34Å; T701-V802 VanDerWaalsContact O-N 3.11Å; A800-V802 PolarHBondContact O-N 3.22Å; V802-Q806 HydrophobicContact CG1-CB 3.43Å; V802-Q806 VanDerWaalsContact CG1-CB 3.43Å; V802-K807 HydrophobicContact CB-CG 4.32Å; V802-K807 HydrophobicContact CG1-CB 4.46Å; V802-K807 HydrophobicContact CG1-CG 3.71Å; V802-I810 HydrophobicContact CG1-CD1 3.93Å
803A87Confident90.3Very high47 Ų4731.3 Ų31.339%0.38816%0.16SC..  trans-71.1153.7172.500000111.5K805 Q806 K807A803-K805 VanDerWaalsContact C-N 3.3Å; A803-K805 PolarHBondContact O-N 2.94Å; A803-K805 VanDerWaalsContact O-N 3.15Å; A803-Q806 HydrophobicContact CB-CG 4.33Å; A803-Q806 WeakPolarHBondContact O-CA 3.39Å; A803-Q806 WeakPolarHBondContact O-CB 3.17Å; A803-Q806 PolarHBondContact O-N 3.43Å; A803-K807 PolarHBondContact O-N 3.39Å
804P83.4Confident90.3Very high64 Ų6431.5 Ų31.542%0.41616%0.161SC..Hα-helixtrans-50.4-43.7-179.8-3136.7000114.6Q806 K807 E808P804-Q806 VanDerWaalsContact C-N 3.3Å; P804-Q806 PolarHBondContact O-N 3.09Å; P804-K807 WeakPolarHBondContact O-CB 3.48Å; P804-K807 PolarHBondContact O-N 2.88Å; P804-K807 VanDerWaalsContact O-N 3.13Å; P804-E808 PolarHBondContact O-N 2.64Å; P804-E808 VanDerWaalsContact O-N 3.16Å
805K83.1Confident90.2Very high174 Ų17433.7 Ų33.776%0.75717%0.17SC*.Hα-helixtrans-63.2-33.1175.6-68.8-176.9177.7179.40113.4A803 E808 S809A803-K805 VanDerWaalsContact C-N 3.3Å; A803-K805 PolarHBondContact O-N 2.94Å; A803-K805 VanDerWaalsContact O-N 3.15Å; K805-E808 WeakPolarHBondContact O-CB 3.36Å; K805-S809 PolarHBondContact O-N 2.99Å; K805-S809 VanDerWaalsContact O-N 3.08Å
806Q89.8Confident90.1Very high25 Ų2540.5 Ų40.512%0.11719%0.194CC..Hα-helixtrans-73-35.7175.4-67.9173.9-3100110.6G775 D779 V802 A803 P804 E808 S809 I810G775-Q806 PolarHBondContact O-NE2 3.3Å; G775-Q806 VanDerWaalsContact O-NE2 3.09Å; D779-Q806 PolarHBondContact OD1-NE2 2.92Å; D779-Q806 PolarHBondContact OD2-NE2 3.28Å; D779-Q806 VanDerWaalsContact OD2-NE2 3.13Å; V802-Q806 HydrophobicContact CG1-CB 3.43Å; V802-Q806 VanDerWaalsContact CG1-CB 3.43Å; A803-Q806 HydrophobicContact CB-CG 4.33Å; A803-Q806 WeakPolarHBondContact O-CA 3.39Å; A803-Q806 WeakPolarHBondContact O-CB 3.17Å; A803-Q806 PolarHBondContact O-N 3.43Å; P804-Q806 VanDerWaalsContact C-N 3.3Å; P804-Q806 PolarHBondContact O-N 3.09Å; Q806-E808 VanDerWaalsContact C-N 3.29Å; Q806-E808 PolarHBondContact O-N 3.19Å; Q806-S809 PolarHBondContact O-N 3.44Å; Q806-S809 VanDerWaalsContact O-N 3.16Å; Q806-I810 WeakPolarHBondContact O-CD1 3.48Å; Q806-I810 VanDerWaalsContact O-CG1 3.26Å; Q806-I810 WeakPolarHBondContact O-CG1 3.21Å; Q806-I810 PolarHBondContact O-N 2.59Å
807K91.2Very high89.9Confident6 Ų644.1 Ų44.13%0.02621%0.212CC..Hα-helixtrans-56.2-45.6172.3-56.5-165.3-178.6-171.10110.8D484 I700 V802 A803 P804 I810 L811 D830 A833D484-K807 VanDerWaalsContact CG-NZ 3.35Å; D484-K807 IonicContact OD1-NZ 3.81Å; D484-K807 IonicContact OD2-NZ 3.73Å; D484-K807 PolarHBondContact OD2-NZ 3.05Å; I700-K807 HydrophobicContact CG2-CB 4.17Å; I700-K807 HydrophobicContact CG2-CD 4.01Å; I700-K807 HydrophobicContact CG2-CG 3.69Å; V802-K807 HydrophobicContact CB-CG 4.32Å; V802-K807 HydrophobicContact CG1-CB 4.46Å; V802-K807 HydrophobicContact CG1-CG 3.71Å; A803-K807 PolarHBondContact O-N 3.39Å; P804-K807 WeakPolarHBondContact O-CB 3.48Å; P804-K807 PolarHBondContact O-N 2.88Å; P804-K807 VanDerWaalsContact O-N 3.13Å; K807-I810 PolarHBondContact O-N 2.95Å; K807-L811 PolarHBondContact O-N 3.38Å; K807-D830 WeakPolarHBondContact CD-OD1 3.15Å; K807-D830 WeakPolarHBondContact CE-OD1 3.49Å; K807-D830 IonicContact NZ-OD1 3.45Å; K807-D830 PolarHBondContact NZ-OD1 3.05Å; K807-D830 IonicContact NZ-OD2 3.35Å; K807-A833 HydrophobicContact CB-CB 3.9Å
808E88.5Confident89.5Confident57 Ų5744.6 Ų44.627%0.26623%0.227SC..Hα-helixtrans-59.1-49.7173.5-69172.4-151.600112.5P804 K805 Q806 I810 L811 V812 G832 A833P804-E808 PolarHBondContact O-N 2.64Å; P804-E808 VanDerWaalsContact O-N 3.16Å; K805-E808 WeakPolarHBondContact O-CB 3.36Å; Q806-E808 VanDerWaalsContact C-N 3.29Å; Q806-E808 PolarHBondContact O-N 3.19Å; E808-I810 VanDerWaalsContact C-N 3.32Å; E808-I810 PolarHBondContact O-N 3.47Å; E808-L811 PolarHBondContact O-N 3.19Å; E808-V812 WeakPolarHBondContact O-CG2 3.46Å; E808-V812 PolarHBondContact O-N 3.01Å; E808-G832 WeakPolarHBondContact OE1-CA 3.41Å; E808-A833 HydrophobicContact CG-CB 4.48Å
809S89Confident89.3Confident50 Ų5046.3 Ų46.335%0.3523%0.234SC..Hα-helixtrans-58.6-42.4-179.2-176.40000112.3K805 Q806 L811 V812 Q813K805-S809 PolarHBondContact O-N 2.99Å; K805-S809 VanDerWaalsContact O-N 3.08Å; Q806-S809 PolarHBondContact O-N 3.44Å; Q806-S809 VanDerWaalsContact O-N 3.16Å; S809-L811 PolarHBondContact O-N 3.11Å; S809-V812 PolarHBondContact O-N 3.15Å; S809-Q813 WeakPolarHBondContact O-CB 3.4Å; S809-Q813 VanDerWaalsContact O-CG 3.27Å; S809-Q813 WeakPolarHBondContact O-CG 3.29Å; S809-Q813 PolarHBondContact O-N 3.36Å; S809-Q813 PolarHBondContact OG-NE2 2.85Å
810I92.6Very high89.1Confident2 Ų247.5 Ų47.51%0.0124%0.24CC..Hα-helixtrans-58.3-49.8176.9-67.1161000110.3I700 I778 I793 Y799 V802 Q806 K807 E808 V812 Q813 L814I700-I810 HydrophobicContact CD1-CG2 4.04Å; I700-I810 HydrophobicContact CG2-CD1 4.36Å; I778-I810 HydrophobicContact CD1-CD1 3.85Å; I778-I810 HydrophobicContact CD1-CG1 4.26Å; I793-I810 HydrophobicContact CG2-CG2 4.25Å; Y799-I810 HydrophobicContact CD1-CD1 3.62Å; Y799-I810 HydrophobicContact CD1-CG1 4.33Å; Y799-I810 HydrophobicContact CE1-CD1 3.98Å; Y799-I810 HydrophobicContact CE1-CG1 4.2Å; Y799-I810 HydrophobicContact CE1-CG2 4.06Å; Y799-I810 HydrophobicContact CE2-CG2 4.4Å; Y799-I810 HydrophobicContact CG-CD1 4.05Å; V802-I810 HydrophobicContact CG1-CD1 3.93Å; Q806-I810 WeakPolarHBondContact O-CD1 3.48Å; Q806-I810 VanDerWaalsContact O-CG1 3.26Å; Q806-I810 WeakPolarHBondContact O-CG1 3.21Å; Q806-I810 PolarHBondContact O-N 2.59Å; K807-I810 PolarHBondContact O-N 2.95Å; E808-I810 VanDerWaalsContact C-N 3.32Å; E808-I810 PolarHBondContact O-N 3.47Å; I810-V812 PolarHBondContact O-N 3.19Å; I810-Q813 PolarHBondContact O-N 2.95Å; I810-L814 HydrophobicContact CG2-CD1 4.25Å; I810-L814 WeakPolarHBondContact O-CG 3.11Å; I810-L814 PolarHBondContact O-N 3.03Å
811L92Very high89.1Confident1 Ų147.6 Ų47.61%0.00524%0.241CC..Hα-helixtrans-66-39.3-179.6-68.3173.4000112.5A482 K807 E808 S809 Q813 L814 K815 T821 M823 A833 A837A482-L811 HydrophobicContact CB-CD2 4.48Å; K807-L811 PolarHBondContact O-N 3.38Å; E808-L811 PolarHBondContact O-N 3.19Å; S809-L811 PolarHBondContact O-N 3.11Å; L811-Q813 VanDerWaalsContact C-N 3.33Å; L811-Q813 PolarHBondContact O-N 3.13Å; L811-L814 PolarHBondContact O-N 3.06Å; L811-K815 WeakPolarHBondContact O-CB 3.48Å; L811-K815 PolarHBondContact O-N 2.84Å; L811-T821 HydrophobicContact CD2-CG2 4.31Å; L811-M823 HydrophobicContact CD1-CB 3.89Å; L811-M823 HydrophobicContact CD1-CG 4.08Å; L811-A833 HydrophobicContact CD1-CB 3.62Å; L811-A833 WeakPolarHBondContact CD1-O 3.02Å; L811-A837 HydrophobicContact CD1-CB 4.27Å
812V88.7Confident89.4Confident22 Ų2242.9 Ų42.913%0.13322%0.223CC..Hα-helixtrans-63.2-40.6175.3170.30000110.9E808 S809 I810 K815 R816 Q836E808-V812 WeakPolarHBondContact O-CG2 3.46Å; E808-V812 PolarHBondContact O-N 3.01Å; S809-V812 PolarHBondContact O-N 3.15Å; I810-V812 PolarHBondContact O-N 3.19Å; V812-K815 PolarHBondContact O-N 3.13Å; V812-R816 WeakPolarHBondContact O-CG 3.35Å; V812-R816 PolarHBondContact O-N 3.19Å; V812-Q836 HydrophobicContact CG2-CB 4.23Å; V812-Q836 HydrophobicContact CG2-CG 4.08Å
813Q89.8Confident89.6Confident31 Ų3142.6 Ų42.615%0.14522%0.221CC..Hα-helixtrans-66-44.7176.9-72.3-175.547.200111.6I793 S809 I810 L811 K815 R816 M817I793-Q813 HydrophobicContact CD1-CB 4.09Å; I793-Q813 HydrophobicContact CD1-CG 4.44Å; S809-Q813 WeakPolarHBondContact O-CB 3.4Å; S809-Q813 VanDerWaalsContact O-CG 3.27Å; S809-Q813 WeakPolarHBondContact O-CG 3.29Å; S809-Q813 PolarHBondContact O-N 3.36Å; S809-Q813 PolarHBondContact OG-NE2 2.85Å; I810-Q813 PolarHBondContact O-N 2.95Å; L811-Q813 VanDerWaalsContact C-N 3.33Å; L811-Q813 PolarHBondContact O-N 3.13Å; Q813-K815 VanDerWaalsContact C-N 3.33Å; Q813-K815 PolarHBondContact O-N 3.09Å; Q813-R816 PolarHBondContact O-N 3.16Å; Q813-M817 VanDerWaalsContact O-CG 3.32Å; Q813-M817 WeakPolarHBondContact O-CG 3.36Å; Q813-M817 PolarHBondContact O-N 3.2Å; Q813-M817 VanDerWaalsContact O-N 3.12Å
814L91.8Very high89.9Confident4 Ų440.4 Ų40.42%0.02120%0.203CC..Hα-helixtrans-58.3-43.7174.1-73.1173.7000112.3I480 I793 P794 I810 L811 M817 Y819 T821I480-L814 HydrophobicContact CD1-CD1 4.13Å; I480-L814 HydrophobicContact CD1-CD2 3.6Å; I480-L814 HydrophobicContact CD1-CG 4.37Å; I480-L814 HydrophobicContact CG2-CD1 4.5Å; I793-L814 HydrophobicContact CG2-CD1 4.45Å; I793-L814 HydrophobicContact CG2-CD2 3.58Å; I793-L814 HydrophobicContact CG2-CG 3.72Å; P794-L814 HydrophobicContact CB-CD2 3.97Å; I810-L814 HydrophobicContact CG2-CD1 4.25Å; I810-L814 WeakPolarHBondContact O-CG 3.11Å; I810-L814 PolarHBondContact O-N 3.03Å; L811-L814 PolarHBondContact O-N 3.06Å; L814-M817 WeakPolarHBondContact O-CB 3.39Å; L814-M817 PolarHBondContact O-N 2.76Å; L814-Y819 HydrophobicContact CD2-CD2 4.13Å; L814-Y819 PolarHBondContact O-N 2.89Å; L814-T821 HydrophobicContact CB-CG2 3.58Å; L814-T821 HydrophobicContact CD1-CG2 3.9Å; L814-T821 HydrophobicContact CG-CG2 4.38Å
815K88.5Confident90.2Very high52 Ų5237.3 Ų37.323%0.22618%0.183CC..Hα-helixtrans-62.3-43.1176.1177.1170.6-173.3-166.60112.3N101 L811 V812 Q813 M817 G818 H838N101-K815 PolarHBondContact OD1-NZ 2.83Å; N101-K815 VanDerWaalsContact OD1-NZ 3.12Å; L811-K815 WeakPolarHBondContact O-CB 3.48Å; L811-K815 PolarHBondContact O-N 2.84Å; V812-K815 PolarHBondContact O-N 3.13Å; Q813-K815 VanDerWaalsContact C-N 3.33Å; Q813-K815 PolarHBondContact O-N 3.09Å; K815-M817 PolarHBondContact O-N 2.81Å; K815-G818 PolarHBondContact O-N 3.04Å; K815-H838 VanDerWaalsContact CG-CE1 3.43Å; K815-H838 WeakPolarHBondContact CG-CE1 3.48Å
816R85.9Confident89.9Confident174 Ų17430.5 Ų30.566%0.65716%0.155SC*.Hα-helixtrans-62.3-27.9175.9-76.3179.3-178-175.23.9112.9V812 Q813 G818V812-R816 WeakPolarHBondContact O-CG 3.35Å; V812-R816 PolarHBondContact O-N 3.19Å; Q813-R816 PolarHBondContact O-N 3.16Å; R816-G818 PolarHBondContact O-N 3.32Å
817M87.5Confident88.9Confident76 Ų7629.3 Ų29.337%0.37415%0.149SC..THydrogen-bonded Turntrans-79.4-1.5175-64177.778.900113.3R790 P794 Q813 L814 K815 Y819R790-M817 WeakPolarHBondContact O-CE 3.27Å; P794-M817 HydrophobicContact CG-CE 3.73Å; P794-M817 HydrophobicContact CG-SD 4.09Å; Q813-M817 VanDerWaalsContact O-CG 3.32Å; Q813-M817 WeakPolarHBondContact O-CG 3.36Å; Q813-M817 PolarHBondContact O-N 3.2Å; Q813-M817 VanDerWaalsContact O-N 3.12Å; L814-M817 WeakPolarHBondContact O-CB 3.39Å; L814-M817 PolarHBondContact O-N 2.76Å; K815-M817 PolarHBondContact O-N 2.81Å; M817-Y819 HydrophobicContact CB-CD2 3.68Å; M817-Y819 HydrophobicContact CB-CE2 3.73Å; M817-Y819 HydrophobicContact CE-CE2 4.13Å; M817-Y819 HydrophobicContact SD-CE2 4.29Å
818G86.5Confident87.8Confident45 Ų4530.4 Ų30.446%0.46416%0.156SC..THydrogen-bonded Turntrans81.719.4-179.300000114.1K815 R816 K1167K815-G818 PolarHBondContact O-N 3.04Å; R816-G818 PolarHBondContact O-N 3.32Å; G818-K1167 PolarHBondContact O-NZ 2.86Å
819Y90.7Very high87Confident36 Ų3630.3 Ų30.314%0.14116%0.158CC..  trans-88.9138.4169.4-61.1-66.9000110.7D479 I480 P794 L814 M817 H838 K1167 L1169D479-Y819 HydrophobicContact CB-CD1 4.3Å; I480-Y819 HydrophobicContact CD1-CD1 4.32Å; I480-Y819 HydrophobicContact CD1-CD2 4.23Å; I480-Y819 HydrophobicContact CD1-CG 3.88Å; P794-Y819 HydrophobicContact CB-CD2 4.35Å; P794-Y819 HydrophobicContact CB-CE2 3.71Å; P794-Y819 HydrophobicContact CG-CE2 4.25Å; L814-Y819 HydrophobicContact CD2-CD2 4.13Å; L814-Y819 PolarHBondContact O-N 2.89Å; M817-Y819 HydrophobicContact CB-CD2 3.68Å; M817-Y819 HydrophobicContact CB-CE2 3.73Å; M817-Y819 HydrophobicContact CE-CE2 4.13Å; M817-Y819 HydrophobicContact SD-CE2 4.29Å; Y819-H838 PolarHBondContact O-CE1 3.42Å; Y819-H838 VanDerWaalsContact O-CE1 3.3Å; Y819-K1167 HydrophobicContact CD1-CD 4.16Å; Y819-K1167 HydrophobicContact CE1-CD 4.03Å; Y819-L1169 HydrophobicContact CD1-CD1 4.31Å; Y819-L1169 HydrophobicContact CD1-CD2 4.15Å; Y819-L1169 HydrophobicContact CE1-CD1 4.14Å; Y819-L1169 HydrophobicContact CE1-CD2 3.42Å; Y819-L1169 VanDerWaalsContact CE1-CD2 3.42Å; Y819-L1169 HydrophobicContact CE1-CG 3.88Å; Y819-L1169 HydrophobicContact CE2-CD2 4.16Å; Y819-L1169 VanDerWaalsContact CZ-CD2 3.43Å; Y819-L1169 WeakPolarHBondContact OH-CD2 3.38Å
820I91.4Very high86.6Confident28 Ų2827.9 Ų27.914%0.14414%0.141CC..  trans-92.3118.3174.2-60.8175.2000107.8K477 I478 D479 I480 H838K477-I820 HydrophobicContact CB-CD1 3.35Å; K477-I820 HydrophobicContact CB-CG2 4.41Å; K477-I820 HydrophobicContact CD-CD1 4.02Å; K477-I820 HydrophobicContact CG-CD1 4.32Å; K477-I820 WeakPolarHBondContact O-CB 3.32Å; K477-I820 WeakPolarHBondContact O-CD1 3.24Å; I478-I820 HydrophobicContact CG1-CG2 4.29Å; D479-I820 PolarHBondContact N-O 3.46Å; D479-I820 PolarHBondContact OD2-N 3.08Å; I480-I820 PolarHBondContact N-O 3.17Å; I480-I820 VanDerWaalsContact N-O 3.17Å; I820-H838 HydrophobicContact CG2-CB 3.9Å
821T94Very high86Confident1 Ų128.1 Ų28.11%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-109135.1-169.149.80000111.7I480 L811 L814 H838 V839I480-T821 HydrophobicContact CB-CG2 4.49Å; I480-T821 WeakPolarHBondContact O-CA 3.36Å; L811-T821 HydrophobicContact CD2-CG2 4.31Å; L814-T821 HydrophobicContact CB-CG2 3.58Å; L814-T821 HydrophobicContact CD1-CG2 3.9Å; L814-T821 HydrophobicContact CG-CG2 4.38Å; T821-H838 PolarHBondContact N-ND1 3.26Å; T821-H838 WeakPolarHBondContact O-CB 3.47Å; T821-H838 PolarHBondContact O-N 2.98Å; T821-H838 PolarHBondContact OG1-ND1 3.12Å; T821-V839 PolarHBondContact O-N 3.13Å
822L95.2Very high85.4Confident0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-106.8135.4163.3178.3148.6000109I478 I480 C481 A482 C824 V839 V841 V939 I943I478-L822 HydrophobicContact CD1-CB 3.74Å; I478-L822 HydrophobicContact CD1-CD1 3.47Å; I478-L822 VanDerWaalsContact CD1-CD1 3.47Å; I478-L822 HydrophobicContact CD1-CG 4.23Å; I478-L822 HydrophobicContact CG1-CB 4.2Å; I478-L822 HydrophobicContact CG2-CB 3.98Å; I480-L822 PolarHBondContact O-N 3.43Å; C481-L822 HydrophobicContact CB-CD2 4.27Å; A482-L822 PolarHBondContact N-O 3.12Å; L822-C824 HydrophobicContact CD2-CB 4.24Å; L822-V839 CarbonylContact C-O 3.56Å; L822-V839 WeakPolarHBondContact CA-O 3.2Å; L822-V839 HydrophobicContact CB-CB 4.29Å; L822-V839 HydrophobicContact CD1-CB 4.21Å; L822-V839 HydrophobicContact CD1-CG1 3.7Å; L822-V839 HydrophobicContact CG-CB 4.3Å; L822-V839 HydrophobicContact CG-CG1 4.16Å; L822-V841 HydrophobicContact CD1-CG2 4.21Å; L822-V841 HydrophobicContact CG-CG2 4.41Å; L822-V939 HydrophobicContact CD1-CG1 3.75Å; L822-V939 HydrophobicContact CD2-CG1 3.89Å; L822-V939 HydrophobicContact CD2-CG2 4.37Å; L822-I943 HydrophobicContact CD1-CD1 4.49Å; L822-I943 HydrophobicContact CD1-CG1 4.45Å
823M94.4Very high85.4Confident0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-120.7131.3169.5179.265.8-172.700108.3A482 D484 I700 L811 D830 A833 L834 A837 V839 G840 V841A482-M823 HydrophobicContact CB-SD 3.62Å; A482-M823 CarbonylContact O-C 3.49Å; A482-M823 WeakPolarHBondContact O-CA 3.32Å; D484-M823 HydrophobicContact CB-CE 4.28Å; I700-M823 HydrophobicContact CD1-SD 4.47Å; L811-M823 HydrophobicContact CD1-CB 3.89Å; L811-M823 HydrophobicContact CD1-CG 4.08Å; M823-D830 HydrophobicContact CE-CB 4.32Å; M823-A833 HydrophobicContact CG-CB 4.32Å; M823-L834 HydrophobicContact CB-CD2 4.12Å; M823-L834 HydrophobicContact CG-CD2 3.82Å; M823-L834 HydrophobicContact CG-CG 4.42Å; M823-L834 WeakPolarHBondContact O-CD2 3.32Å; M823-A837 HydrophobicContact CB-CB 3.8Å; M823-V839 PolarHBondContact N-O 3.46Å; M823-G840 WeakPolarHBondContact O-CA 3.29Å; M823-V841 PolarHBondContact O-N 2.93Å
824C93.4Very high85.3Confident0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-119.9129.4173.4-173.90000109.6A482 F483 D484 T488 L822 V841 V939A482-C824 PolarHBondContact O-N 3.02Å; F483-C824 HydrophobicContact CD1-CB 3.69Å; F483-C824 HydrophobicContact CE1-CB 3.81Å; D484-C824 PolarHBondContact N-O 3.21Å; T488-C824 HydrophobicContact CG2-CB 4.46Å; L822-C824 HydrophobicContact CD2-CB 4.24Å; C824-V841 WeakPolarHBondContact CA-O 3.4Å; C824-V841 HydrophobicContact CB-CB 4.31Å; C824-V939 HydrophobicContact CB-CG2 3.96Å
825G89.2Confident84.9Confident0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-154.1175.8-172.600000112.9T488 G827 D830 V841 A842 L843T488-G825 WeakPolarHBondContact OG1-CA 3.1Å; G825-G827 PolarHBondContact O-N 3.43Å; G825-D830 WeakPolarHBondContact CA-OD2 3.38Å; G825-V841 PolarHBondContact N-O 3.12Å; G825-A842 WeakPolarHBondContact O-CA 3.49Å; G825-L843 PolarHBondContact O-N 2.86Å
826D78.5Confident84.8Confident30 Ų3024.6 Ų24.616%0.1613%0.127CC..  trans-69.2-13.4176.366.3-1.6000113.3T488 T828 N829T488-D826 PolarHBondContact OG1-N 2.89Å; D826-T828 VanDerWaalsContact CG-OG1 3.23Å; D826-T828 PolarHBondContact OD1-N 3.33Å; D826-T828 PolarHBondContact OD1-OG1 2.88Å; D826-T828 PolarHBondContact OD2-OG1 3.12Å; D826-N829 PolarHBondContact OD1-N 2.79Å
827G68.5Low84.9Confident1 Ų116.3 Ų16.31%0.0110%0.096CC..SBendtrans94.7-10.9176.100000114.4G825 V831 A923G825-G827 PolarHBondContact O-N 3.43Å; G827-V831 WeakPolarHBondContact O-CG2 3.37Å; G827-A923 WeakPolarHBondContact O-CB 3.35Å
828T67.5Low85Confident28 Ų2814.2 Ų14.217%0.1729%0.085CC..SBendtrans-113.3-50.5-168.634.70000112.9G305 D826 D830 V831 A923G305-T828 VanDerWaalsContact CA-CG2 3.46Å; G305-T828 WeakPolarHBondContact CA-OG1 3.49Å; D826-T828 VanDerWaalsContact CG-OG1 3.23Å; D826-T828 PolarHBondContact OD1-N 3.33Å; D826-T828 PolarHBondContact OD1-OG1 2.88Å; D826-T828 PolarHBondContact OD2-OG1 3.12Å; T828-D830 VanDerWaalsContact C-N 3.27Å; T828-V831 WeakPolarHBondContact O-CG2 3.4Å; T828-A923 HydrophobicContact CG2-CB 3.35Å
829N72.6Confident85.3Confident55 Ų5512 Ų1229%0.2946%0.063SC..THydrogen-bonded Turntrans-77.4-22171.9-75.7-54.1000112T304 D826T304-N829 VanDerWaalsContact O-CG 3.23Å; T304-N829 PolarHBondContact O-ND2 2.81Å; T304-N829 VanDerWaalsContact O-ND2 3.1Å; T304-N829 PolarHBondContact O-OD1 3.19Å; D826-N829 PolarHBondContact OD1-N 2.79Å
830D80.9Confident85.4Confident0 Ų010.3 Ų10.30%06%0.056CC..THydrogen-bonded Turntrans-101.66.4-173.9-64-41.8000113.9D484 K807 M823 G825 T828 G832 A833 L834D484-D830 WeakPolarHBondContact CB-OD2 3.31Å; K807-D830 WeakPolarHBondContact CD-OD1 3.15Å; K807-D830 WeakPolarHBondContact CE-OD1 3.49Å; K807-D830 IonicContact NZ-OD1 3.45Å; K807-D830 PolarHBondContact NZ-OD1 3.05Å; K807-D830 IonicContact NZ-OD2 3.35Å; M823-D830 HydrophobicContact CE-CB 4.32Å; G825-D830 WeakPolarHBondContact CA-OD2 3.38Å; T828-D830 VanDerWaalsContact C-N 3.27Å; D830-G832 VanDerWaalsContact C-N 3.35Å; D830-G832 PolarHBondContact O-N 2.83Å; D830-A833 CarbonylContact O-C 3.58Å; D830-A833 WeakPolarHBondContact O-CA 3.46Å; D830-A833 WeakPolarHBondContact O-CB 3.25Å; D830-A833 PolarHBondContact O-N 2.93Å; D830-L834 HydrophobicContact CB-CD1 3.86Å; D830-L834 HydrophobicContact CB-CG 3.81Å; D830-L834 WeakPolarHBondContact O-CB 3.48Å; D830-L834 VanDerWaalsContact O-CG 3.27Å; D830-L834 WeakPolarHBondContact O-CG 2.88Å; D830-L834 PolarHBondContact O-N 2.83Å
831V78.8Confident85.4Confident6 Ų69 Ų94%0.0365%0.049CC..Hα-helixtrans-46.8-54.1-172.9168.60000112.8L377 I381 G827 T828 K835 A923 A926L377-V831 HydrophobicContact CD1-CB 3.99Å; L377-V831 HydrophobicContact CD1-CG1 3.67Å; L377-V831 HydrophobicContact CD1-CG2 4.03Å; L377-V831 HydrophobicContact CG-CG1 4.49Å; I381-V831 HydrophobicContact CG1-CG1 4.38Å; G827-V831 WeakPolarHBondContact O-CG2 3.37Å; T828-V831 WeakPolarHBondContact O-CG2 3.4Å; V831-K835 WeakPolarHBondContact O-CB 3.21Å; V831-K835 PolarHBondContact O-N 2.81Å; V831-K835 VanDerWaalsContact O-N 3.09Å; V831-A923 HydrophobicContact CG2-CB 4.3Å; V831-A926 HydrophobicContact CB-CB 4.43Å; V831-A926 HydrophobicContact CG1-CB 3.56Å; V831-A926 HydrophobicContact CG2-CB 4.36Å
832G80.1Confident85.1Confident6 Ų69 Ų96%0.0625%0.049CC..Hα-helixtrans-68-38.1-179.600000112.3E808 D830 K835 Q836E808-G832 WeakPolarHBondContact OE1-CA 3.41Å; D830-G832 VanDerWaalsContact C-N 3.35Å; D830-G832 PolarHBondContact O-N 2.83Å; G832-K835 PolarHBondContact O-N 3.02Å; G832-Q836 WeakPolarHBondContact O-CB 3.43Å; G832-Q836 VanDerWaalsContact O-CG 3.24Å; G832-Q836 WeakPolarHBondContact O-CG 3.26Å; G832-Q836 PolarHBondContact O-N 3.24Å
833A87.7Confident84.6Confident1 Ų19 Ų91%0.0085%0.049CC..Hα-helixtrans-64.2-48.1178.200000111.4K807 E808 L811 M823 D830 K835 Q836 A837K807-A833 HydrophobicContact CB-CB 3.9Å; E808-A833 HydrophobicContact CG-CB 4.48Å; L811-A833 HydrophobicContact CD1-CB 3.62Å; L811-A833 WeakPolarHBondContact CD1-O 3.02Å; M823-A833 HydrophobicContact CG-CB 4.32Å; D830-A833 CarbonylContact O-C 3.58Å; D830-A833 WeakPolarHBondContact O-CA 3.46Å; D830-A833 WeakPolarHBondContact O-CB 3.25Å; D830-A833 PolarHBondContact O-N 2.93Å; A833-K835 VanDerWaalsContact C-N 3.28Å; A833-K835 PolarHBondContact O-N 3.03Å; A833-Q836 PolarHBondContact O-N 3.05Å; A833-A837 PolarHBondContact O-N 2.88Å
834L88.6Confident83.8Confident0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-57.6-41.2175.8-67.7170.3000111.6M823 D830 G840 V841 A842 A927M823-L834 HydrophobicContact CB-CD2 4.12Å; M823-L834 HydrophobicContact CG-CD2 3.82Å; M823-L834 HydrophobicContact CG-CG 4.42Å; M823-L834 WeakPolarHBondContact O-CD2 3.32Å; D830-L834 HydrophobicContact CB-CD1 3.86Å; D830-L834 HydrophobicContact CB-CG 3.81Å; D830-L834 WeakPolarHBondContact O-CB 3.48Å; D830-L834 VanDerWaalsContact O-CG 3.27Å; D830-L834 WeakPolarHBondContact O-CG 2.88Å; D830-L834 PolarHBondContact O-N 2.83Å; L834-G840 VanDerWaalsContact O-CA 3.24Å; L834-G840 WeakPolarHBondContact O-CA 3.19Å; L834-V841 WeakPolarHBondContact CD2-O 3.47Å; L834-A842 HydrophobicContact CD1-CB 4.24Å; L834-A927 HydrophobicContact CB-CB 4.29Å; L834-A927 HydrophobicContact CD1-CB 4.22Å
835K83.7Confident82.5Confident16 Ų1612.4 Ų12.47%0.077%0.067CC..Hα-helixtrans-72.5-37.7-179.6-170.459.2166-163.40112.8I381 S384 V385 E468 R471 V831 G832 A833 A926I381-K835 VanDerWaalsContact O-CE 3.32Å; I381-K835 WeakPolarHBondContact O-CE 3.31Å; I381-K835 PolarHBondContact O-NZ 3.21Å; S384-K835 WeakPolarHBondContact OG-CE 3.46Å; S384-K835 WeakPolarHBondContact OG-CG 3.34Å; V385-K835 HydrophobicContact CG2-CD 4.5Å; V385-K835 HydrophobicContact CG2-CG 4.19Å; V385-K835 VanDerWaalsContact CG2-O 3.31Å; V385-K835 WeakPolarHBondContact CG2-O 3.49Å; E468-K835 IonicContact OE1-NZ 3.83Å; E468-K835 PolarHBondContact OE1-NZ 2.98Å; R471-K835 PolarHBondContact NH2-O 2.64Å; V831-K835 WeakPolarHBondContact O-CB 3.21Å; V831-K835 PolarHBondContact O-N 2.81Å; V831-K835 VanDerWaalsContact O-N 3.09Å; G832-K835 PolarHBondContact O-N 3.02Å; A833-K835 VanDerWaalsContact C-N 3.28Å; A833-K835 PolarHBondContact O-N 3.03Å; K835-A926 WeakPolarHBondContact CD-O 3.3Å
836Q85Confident80.9Confident14 Ų1417.9 Ų17.97%0.06510%0.096CC..Hα-helixtrans-73.9-28.8177.5-70.7-62.5-12.600113.6N101 V812 G832 A833N101-Q836 PolarHBondContact O-NE2 3.23Å; V812-Q836 HydrophobicContact CG2-CB 4.23Å; V812-Q836 HydrophobicContact CG2-CG 4.08Å; G832-Q836 WeakPolarHBondContact O-CB 3.43Å; G832-Q836 VanDerWaalsContact O-CG 3.24Å; G832-Q836 WeakPolarHBondContact O-CG 3.26Å; G832-Q836 PolarHBondContact O-N 3.24Å; A833-Q836 PolarHBondContact O-N 3.05Å
837A89.6Confident79.2Confident0 Ų022.8 Ų22.80%012%0.12CC..SBendtrans-56.7151.6170.200000110.7R471 L811 M823 A833 V839R471-A837 PolarHBondContact NH1-O 3.04Å; L811-A837 HydrophobicContact CD1-CB 4.27Å; M823-A837 HydrophobicContact CB-CB 3.8Å; A833-A837 PolarHBondContact O-N 2.88Å; A837-V839 VanDerWaalsContact C-N 3.26Å
838H89.8Confident77.7Confident31 Ų3127.3 Ų27.314%0.14415%0.151CC..SBendtrans-66.5-37.5172.9-63.983000110.4R471 K815 Y819 I820 T821R471-H838 PolarHBondContact NH1-O 3.08Å; K815-H838 VanDerWaalsContact CG-CE1 3.43Å; K815-H838 WeakPolarHBondContact CG-CE1 3.48Å; Y819-H838 PolarHBondContact O-CE1 3.42Å; Y819-H838 VanDerWaalsContact O-CE1 3.3Å; I820-H838 HydrophobicContact CG2-CB 3.9Å; T821-H838 PolarHBondContact N-ND1 3.26Å; T821-H838 WeakPolarHBondContact O-CB 3.47Å; T821-H838 PolarHBondContact O-N 2.98Å; T821-H838 PolarHBondContact OG1-ND1 3.12Å
839V91.9Very high76.2Confident0 Ų028.8 Ų28.80%016%0.16CC..EExtended strand (participates in β ladder)trans-128.2101.2175.2179.30000108.2F474 A475 I478 T821 L822 M823 A837 V841 F929 I942F474-V839 HydrophobicContact CB-CG2 4.16Å; A475-V839 HydrophobicContact CB-CG1 4.36Å; A475-V839 HydrophobicContact CB-CG2 3.96Å; I478-V839 HydrophobicContact CD1-CB 4.18Å; I478-V839 HydrophobicContact CD1-CG1 4.38Å; I478-V839 HydrophobicContact CD1-CG2 4.09Å; I478-V839 HydrophobicContact CG1-CG2 4.34Å; T821-V839 PolarHBondContact O-N 3.13Å; L822-V839 CarbonylContact C-O 3.56Å; L822-V839 WeakPolarHBondContact CA-O 3.2Å; L822-V839 HydrophobicContact CB-CB 4.29Å; L822-V839 HydrophobicContact CD1-CB 4.21Å; L822-V839 HydrophobicContact CD1-CG1 3.7Å; L822-V839 HydrophobicContact CG-CB 4.3Å; L822-V839 HydrophobicContact CG-CG1 4.16Å; M823-V839 PolarHBondContact N-O 3.46Å; A837-V839 VanDerWaalsContact C-N 3.26Å; V839-V841 HydrophobicContact CG1-CG2 4.19Å; V839-F929 HydrophobicContact CB-CE2 4.46Å; V839-F929 HydrophobicContact CG1-CD2 3.71Å; V839-F929 HydrophobicContact CG1-CE2 3.69Å; V839-F929 HydrophobicContact CG2-CE2 4.49Å; V839-I942 HydrophobicContact CG1-CG2 3.95Å
840G91.9Very high74.4Confident0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-97.1128.8173.200000110.9M823 L834 F929M823-G840 WeakPolarHBondContact O-CA 3.29Å; L834-G840 VanDerWaalsContact O-CA 3.24Å; L834-G840 WeakPolarHBondContact O-CA 3.19Å; G840-F929 WeakPolarHBondContact O-CB 3.31Å; G840-F929 PolarHBondContact O-N 3Å
841V91.2Very high72.1Confident0 Ų033.8 Ų33.80%020%0.195CC..EExtended strand (participates in β ladder)trans-119.5111.9-179.4-171.80000110.1L822 M823 C824 G825 L834 V839 L843 F929 V939 I942L822-V841 HydrophobicContact CD1-CG2 4.21Å; L822-V841 HydrophobicContact CG-CG2 4.41Å; M823-V841 PolarHBondContact O-N 2.93Å; C824-V841 WeakPolarHBondContact CA-O 3.4Å; C824-V841 HydrophobicContact CB-CB 4.31Å; G825-V841 PolarHBondContact N-O 3.12Å; L834-V841 WeakPolarHBondContact CD2-O 3.47Å; V839-V841 HydrophobicContact CG1-CG2 4.19Å; V841-L843 HydrophobicContact CG1-CD2 4.39Å; V841-F929 WeakPolarHBondContact CA-O 3.37Å; V841-F929 HydrophobicContact CG2-CB 4.25Å; V841-V939 HydrophobicContact CB-CG2 4.46Å; V841-V939 HydrophobicContact CG1-CG2 4.33Å; V841-V939 HydrophobicContact CG2-CG2 4.38Å; V841-I942 HydrophobicContact CB-CD1 4.38Å; V841-I942 HydrophobicContact CG1-CD1 3.85Å; V841-I942 HydrophobicContact CG2-CD1 3.6Å
842A88.2Confident69.9Low0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-89.6131.2169.600000110.4G825 L834 A927 F929 T930 A931G825-A842 WeakPolarHBondContact O-CA 3.49Å; L834-A842 HydrophobicContact CD1-CB 4.24Å; A842-A927 HydrophobicContact CB-CB 3.58Å; A842-F929 PolarHBondContact N-O 2.81Å; A842-T930 WeakPolarHBondContact O-CA 3.18Å; A842-A931 PolarHBondContact O-N 3.12Å
843L85.8Confident68Low1 Ų140.5 Ų40.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-96.8126.3172.7-59.4-179.4000109.8T488 G825 V841 A931T488-L843 HydrophobicContact CG2-CD1 3.93Å; G825-L843 PolarHBondContact O-N 2.86Å; V841-L843 HydrophobicContact CG1-CD2 4.39Å; L843-A931 HydrophobicContact CD2-CB 3.87Å
844L76.7Confident65.7Low27 Ų2744.2 Ų44.214%0.14126%0.256CS..PPolyproline II helixtrans-85.6119.8174.3-74.1166.3000110.1L920 S924 T930 A931L844-L920 HydrophobicContact CD1-CD2 4.48Å; L844-S924 WeakPolarHBondContact CD2-OG 3.35Å; L844-T930 HydrophobicContact CD1-CG2 3.61Å; L844-T930 HydrophobicContact CG-CG2 3.81Å; L844-A931 PolarHBondContact N-O 2.97Å
845N67.2Low63Low45 Ų4550.2 Ų50.224%0.24128%0.283CS..  trans-96.22.2179.2-71.8-23.7000114G487 M847G487-N845 WeakPolarHBondContact CA-ND2 3.32Å; G487-N845 PolarHBondContact O-ND2 3.28Å; G487-N845 PolarHBondContact O-OD1 2.63Å; N845-M847 PolarHBondContact O-N 3.26Å
846D55.6Low60.8Low115 Ų11555 Ų5562%0.61531%0.309SS*.  trans-63.5102.6-176.2-84.1-18.5000112.7S848D846-S848 PolarHBondContact O-N 2.96Å; D846-S848 VanDerWaalsContact O-N 3.12Å
847M41.4Very low58.3Low133 Ų13358.1 Ų58.166%0.65533%0.329SS*.G310 helixtrans-60.3-16.2175.8-75.6-978500113.9N845 T849 S850N845-M847 PolarHBondContact O-N 3.26Å; M847-T849 PolarHBondContact O-N 3.19Å; M847-T849 VanDerWaalsContact O-N 3.13Å; M847-S850 PolarHBondContact O-N 3.3Å; M847-S850 PolarHBondContact O-OG 3.04Å; M847-S850 VanDerWaalsContact O-OG 3.08Å
848S37.3Very low55.7Low95 Ų9564.4 Ų64.466%0.66436%0.359SS*.G310 helixtrans-70-7.9-17560.80000114.5D846D846-S848 PolarHBondContact O-N 2.96Å; D846-S848 VanDerWaalsContact O-N 3.12Å
849T36.2Very low52.8Low59 Ų5969.6 Ų69.636%0.36239%0.388SS..G310 helixtrans-111.14.2179.454.40000115.4M847 V851 S852M847-T849 PolarHBondContact O-N 3.19Å; M847-T849 VanDerWaalsContact O-N 3.13Å; T849-V851 PolarHBondContact O-N 3.47Å; T849-S852 PolarHBondContact O-N 2.65Å
850S34.1Very low49.8Very low59 Ų5978.4 Ų78.441%0.41343%0.426SS..THydrogen-bonded Turntrans-64-19.9170.859.50000112.7M847 S852 L853M847-S850 PolarHBondContact O-N 3.3Å; M847-S850 PolarHBondContact O-OG 3.04Å; M847-S850 VanDerWaalsContact O-OG 3.08Å; S850-S852 PolarHBondContact O-N 3.37Å; S850-L853 PolarHBondContact O-N 3.12Å
851V33.7Very low46.6Very low101 Ų10185.5 Ų85.561%0.61246%0.459SS*.Hα-helixtrans-59.1-28.8175-174.40000112.1T849T849-V851 PolarHBondContact O-N 3.47Å
852S33.3Very low43.4Very low54 Ų5491.7 Ų91.738%0.37850%0.497SS..Hα-helixtrans-83.2-17.5-178-35.60000114.7T849 S850 L856T849-S852 PolarHBondContact O-N 2.65Å; S850-S852 PolarHBondContact O-N 3.37Å; S852-L856 WeakPolarHBondContact O-CG 3.24Å; S852-L856 PolarHBondContact O-N 3.38Å
853L40.1Very low40.4Very low99 Ų9995.7 Ų95.752%0.51853%0.525SS..Hα-helixtrans-77.9-30.2179.8-83.3168.6000112.1S850 T857S850-L853 PolarHBondContact O-N 3.12Å; L853-T857 PolarHBondContact O-N 2.87Å; L853-T857 VanDerWaalsContact O-N 3.12Å; L853-T857 PolarHBondContact O-OG1 2.94Å
854V37.7Very low37.5Very low80 Ų80102 Ų10249%0.48557%0.566SS.*Hα-helixtrans-67.1-42.2174.6-176.60000109.9L856 T857 E858V854-L856 PolarHBondContact O-N 2.9Å; V854-T857 PolarHBondContact O-N 2.89Å; V854-T857 PolarHBondContact O-OG1 3.46Å; V854-T857 VanDerWaalsContact O-OG1 3.1Å; V854-E858 HydrophobicContact CG1-CG 4.38Å; V854-E858 WeakPolarHBondContact O-CB 3.42Å; V854-E858 WeakPolarHBondContact O-CG 2.98Å; V854-E858 PolarHBondContact O-N 3.37Å
855E31.8Very low34.9Very low125 Ų125105.6 Ų105.658%0.58459%0.594SS**Hα-helixtrans-68-33.4177.5-71.5-178.1157.200113.6N859E855-N859 PolarHBondContact O-N 2.99Å
856L37.4Very low32.9Very low117 Ų117108.7 Ų108.761%0.61362%0.619SS**Hα-helixtrans-74-27.5175.9-76.1168000113.1S852 V854S852-L856 WeakPolarHBondContact O-CG 3.24Å; S852-L856 PolarHBondContact O-N 3.38Å; V854-L856 PolarHBondContact O-N 2.9Å
857T34.3Very low31.3Very low79 Ų79112.5 Ų112.549%0.48563%0.63SS.*Hα-helixtrans-84.2-34.5176.542.40000112.1L853 V854 K860 Q861L853-T857 PolarHBondContact O-N 2.87Å; L853-T857 VanDerWaalsContact O-N 3.12Å; L853-T857 PolarHBondContact O-OG1 2.94Å; V854-T857 PolarHBondContact O-N 2.89Å; V854-T857 PolarHBondContact O-OG1 3.46Å; V854-T857 VanDerWaalsContact O-OG1 3.1Å; T857-K860 PolarHBondContact O-N 2.93Å; T857-Q861 PolarHBondContact O-N 3.28Å
858E33.6Very low30.4Very low132 Ų132113 Ų11362%0.61764%0.635SS**Hα-helixtrans-67.8-39.6174.5-75.1-176.2169.400112.2V854 K860 Q861V854-E858 HydrophobicContact CG1-CG 4.38Å; V854-E858 WeakPolarHBondContact O-CB 3.42Å; V854-E858 WeakPolarHBondContact O-CG 2.98Å; V854-E858 PolarHBondContact O-N 3.37Å; E858-K860 PolarHBondContact O-N 2.92Å; E858-Q861 PolarHBondContact O-N 2.94Å
859N29.1Very low29.8Very low141 Ų141114.8 Ų114.875%0.75464%0.642SS**THydrogen-bonded Turntrans-74.9-7.8178.9-79.6-24.1000115E855E855-N859 PolarHBondContact O-N 2.99Å
860K28.7Very low29Very low184 Ų184123.5 Ų123.580%0.867%0.668SS**THydrogen-bonded Turntrans-104.31.5172.5-80.7-176.6177.1175.10114.2T857 E858T857-K860 PolarHBondContact O-N 2.93Å; E858-K860 PolarHBondContact O-N 2.92Å
861Q25.2Very low28.5Very low149 Ų149129.9 Ų129.970%0.69669%0.691SS**  trans-99.847172.3-69.5-172.39.700112.6T857 E858 S863T857-Q861 PolarHBondContact O-N 3.28Å; E858-Q861 PolarHBondContact O-N 2.94Å; Q861-S863 PolarHBondContact O-N 3.06Å; Q861-S863 VanDerWaalsContact O-N 3.09Å
862T24.5Very low27.8Very low130 Ų130134 Ų13480%0.79870%0.701SS**  trans-78.972.7146.346.40000108P864T862-P864 WeakPolarHBondContact O-CD 3.24Å
863S24.7Very low27.2Very low85 Ų85137.7 Ų137.759%0.59472%0.716SS**  trans-67.8124.5174.446.60000109.8Q861 S865Q861-S863 PolarHBondContact O-N 3.06Å; Q861-S863 VanDerWaalsContact O-N 3.09Å; S863-S865 PolarHBondContact O-N 2.86Å; S863-S865 VanDerWaalsContact O-N 3.17Å
864P24.7Very low26.4Very low134 Ų134141.5 Ų141.587%0.8773%0.731SS**  trans-81.794.4172.131.4-28000107.4T862T862-P864 WeakPolarHBondContact O-CD 3.24Å
865S22.9Very low25.6Very low102 Ų102141.6 Ų141.671%0.71375%0.749SS**  trans-122.8121.717161.80000111.8S863S863-S865 PolarHBondContact O-N 2.86Å; S863-S865 VanDerWaalsContact O-N 3.17Å
866S25.7Very low25.2Very low110 Ų110139.2 Ų139.277%0.76976%0.758SS**  trans6896153.2-1570000118.8N868S866-N868 PolarHBondContact O-N 3.08Å
867K21.5Very low24.4Very low194 Ų194138.1 Ų138.184%0.84377%0.766SS**  trans-54.2109.4138.8-68.6172.8176.8175.30108.3
868N21.8Very low23.9Very low145 Ų145143.3 Ų143.378%0.77578%0.782SS**  170.4140.5125.3-86.7-24000113.5S866S866-N868 PolarHBondContact O-N 3.08Å
869V24.7Very low23.4Very low131 Ų131143.2 Ų143.279%0.79479%0.785SS**  trans82.695163.1-160.30000118Q871V869-Q871 PolarHBondContact O-N 3.3Å
870R18.6Very low22.9Very low242 Ų242148.5 Ų148.591%0.91380%0.795SS**  trans-33.5119.9147.2-80.2169.9157.4174-5.2112.8
871Q23.8Very low22.8Very low193 Ų193143 Ų14390%0.90279%0.791SS**  trans-139.5112.2141.9-98.1179.70.500109.4V869V869-Q871 PolarHBondContact O-N 3.3Å
872K19.2Very low22.7Very low189 Ų189143.1 Ų143.182%0.82280%0.796SS**  trans-70.4136163.1-70171.9166.3179.60107.8
873N21.1Very low22.5Very low131 Ų131148.1 Ų148.170%0.70180%0.8SS**  163.7138.2119.8-87.4-10.4000113.6
874H24Very low22.5Very low178 Ų178147.3 Ų147.382%0.82481%0.805SS**  trans64.7128.8158.5-58.9-54.8000117.9
875G20.3Very low22.4Very low83 Ų83148 Ų14886%0.85680%0.802SS**  cis108.3100.923.600000109.8
876G23.6Very low22.4Very low75 Ų75148.5 Ų148.577%0.77380%0.8SS**  trans154.292174.500000109.5
877A20.2Very low22.3Very low94 Ų94151.4 Ų151.478%0.77780%0.801SS**  54.9103.166.100000113.4
878F24.2Very low22.4Very low187 Ų187147 Ų14782%0.8279%0.794SS**  -175.7130.2119.7-117.5-105.1000114
879N22.5Very low22.6Very low130 Ų130146.2 Ų146.270%0.69580%0.795SS**  trans39.6122.2150.9-70.3-8.2000122.3
880R19.9Very low22.5Very low252 Ų252147.4 Ų147.495%0.95180%0.797SS**  60.2106.455.9-85.9-171.5169179.3-1.7116.1
881G25.9Very low22.9Very low70 Ų70142.7 Ų142.772%0.72280%0.795SS**  trans-151.1100.315200000109.4
882N22.4Very low22.9Very low150 Ų150140 Ų14080%0.80279%0.788SS**  60.7105116.4-85.40.9000115.9
883R21.4Very low23.1Very low236 Ų236137.7 Ų137.789%0.89178%0.783SS**  80105.575.5-90.5-171.3169174.7-3.2114.4
884G25.1Very low23.3Very low67 Ų67139.2 Ų139.269%0.69179%0.791SS**  trans-150114136.900000105.9
885D21.8Very low23.3Very low150 Ų150137.7 Ų137.780%0.80279%0.788SS**  55.7113.180.7-74.2-12.2000109.5
886V23Very low23.6Very low112 Ų112139.1 Ų139.168%0.67979%0.786SS**  -174.6149.251165.50000111.1
887H23.9Very low23.6Very low170 Ų170143.4 Ų143.479%0.78779%0.791SS**  trans77.4105.1159.3-74.1-0.7000119.5
888S23.4Very low23.8Very low101 Ų101144.8 Ų144.871%0.70679%0.792SS**  99.1123.885.874.70000108.3
889T26.4Very low23.9Very low129 Ų129140.3 Ų140.379%0.79179%0.789SS**  cis-152.9130.741.433.80000110.1
890N21.5Very low24Very low156 Ų156140.6 Ų140.683%0.83480%0.795SS**  trans-78.7116.1168.8-88.6-18.8000109.9
891T27.6Very low24.2Very low143 Ų143139.5 Ų139.588%0.87779%0.791SS**  trans-95.7101.215737.70000108.9
892N23.1Very low24.2Very low138 Ų138141.6 Ų141.674%0.73879%0.792SS**  trans-72.7128.7170.7-85.5-21.9000111.3
893I23.7Very low24.4Very low140 Ų140139 Ų13972%0.71879%0.786SS**  trans9123136.1-58.6163.3000116.8
894N26.4Very low24.7Very low162 Ų162137.8 Ų137.887%0.86679%0.787SS**  trans-155.2136.6136.4-105.4-16.7000113.2
895N22.2Very low24.8Very low146 Ų146141.4 Ų141.478%0.78179%0.791SS**  trans-65146-179.3-74-40.6000114.4
896S28.2Very low25.1Very low114 Ų114140.6 Ų140.680%0.79779%0.786SS**  164128.511547.70000112.1
897N22.1Very low25.6Very low164 Ų164140.8 Ų140.888%0.87779%0.789SS**  trans-68.9152.2172.3-74.6-29.6000112
898P24.9Very low25.8Very low123 Ų123136 Ų13680%0.79978%0.779SS**  -129.9132.1123.532.9-21.2000113.5
899A26.7Very low26.1Very low93 Ų93136.6 Ų136.677%0.76977%0.774SS**  trans49.693.8148.200000120.6
900V25.1Very low26.2Very low136 Ų136136.7 Ų136.782%0.82477%0.77SS**  trans-10.5118.6136.7-176.30000115.7
901R24.3Very low26.8Very low230 Ų230135.1 Ų135.187%0.86877%0.765SS**  trans-115.8124.8140.9-76.5-172.8176.3-174.5-0.5107.6S903R901-S903 PolarHBondContact O-N 2.72Å
902P24.8Very low27.1Very low114 Ų114133.2 Ų133.274%0.7475%0.747SS**  trans-79.893.6-175.931.6-30.7000109.5
903S26.6Very low27.6Very low95 Ų95134.7 Ų134.766%0.66475%0.749SS**  trans-77.1119.8159.939.50000108.2R901 N905R901-S903 PolarHBondContact O-N 2.72Å; S903-N905 PolarHBondContact O-N 2.88Å; S903-N905 PolarHBondContact O-OD1 2.89Å
904F28.1Very low27.9Very low211 Ų211136.6 Ų136.693%0.92576%0.755SS**  trans-52.2102.5174.3-98.4-105.5000110.3L906F904-L906 PolarHBondContact O-N 3.12Å
905N26.4Very low28.4Very low143 Ų143132.3 Ų132.377%0.76573%0.734SS**  trans-75.8108.7175.9-78.9-12.9000109.6S903 P907S903-N905 PolarHBondContact O-N 2.88Å; S903-N905 PolarHBondContact O-OD1 2.89Å; N905-P907 VanDerWaalsContact O-CD 3.31Å; N905-P907 WeakPolarHBondContact O-CD 3.25Å
906L29.2Very low28.9Very low133 Ų133129.3 Ų129.370%0.69673%0.725SS**  trans-88.4103166.3-143.281.4000107.9F904 A908F904-L906 PolarHBondContact O-N 3.12Å; L906-A908 PolarHBondContact O-N 2.74Å
907P32.2Very low29.5Very low116 Ų116129.2 Ų129.275%0.75372%0.719SS**THydrogen-bonded Turntrans-77.511.9-164.5-12.429000115.6N905N905-P907 VanDerWaalsContact O-CD 3.31Å; N905-P907 WeakPolarHBondContact O-CD 3.25Å
908A28.4Very low30.4Very low69 Ų69123.7 Ų123.757%0.5769%0.692SS**THydrogen-bonded Turntrans-106.5-2.6-167.100000115.2L906L906-A908 PolarHBondContact O-N 2.74Å
909L28.8Very low31.1Very low114 Ų114129.5 Ų129.560%0.59770%0.698SS**SBendtrans-104.3-30.3-177.2-73.6165.6000114.1E912L909-E912 PolarHBondContact O-N 3.1Å
910D29.7Very low31.8Very low131 Ų131126.9 Ų126.970%0.70167%0.67SS**G310 helixtrans-78.7-32.5-171.2-66.3-18.1000113.5E912 Q913D910-E912 PolarHBondContact O-N 2.93Å; D910-Q913 PolarHBondContact O-N 2.82Å
911T33.9Very low33Very low122 Ų122122.1 Ų122.175%0.74865%0.649SS**G310 helixtrans-69.4-10.3175.436.10000114.2
912E34.7Very low34.2Very low103 Ų103113.9 Ų113.948%0.48162%0.622SS.*G310 helixtrans-87.2-12.7178.6-65.6-157.5133.900113.7K461 L909 D910K461-E912 IonicContact NZ-OE1 3.35Å; K461-E912 PolarHBondContact NZ-OE1 3.21Å; L909-E912 PolarHBondContact O-N 3.1Å; D910-E912 PolarHBondContact O-N 2.93Å
913Q33.1Very low35.3Very low169 Ų169108.8 Ų108.879%0.7959%0.589SS**THydrogen-bonded Turntrans-95.8-14.6-176.5-79178.6-7.800115.4D910 V915D910-Q913 PolarHBondContact O-N 2.82Å; Q913-V915 VanDerWaalsContact C-N 3.26Å; Q913-V915 PolarHBondContact O-N 3.1Å
914E29.5Very low36.6Very low181 Ų181104.6 Ų104.685%0.84656%0.56SS**  trans-89.438.9176.1-68.6-168.9163.200113.4S916E914-S916 VanDerWaalsContact C-N 3.33Å; E914-S916 PolarHBondContact O-N 2.89Å
915V36.8Very low38.1Very low71 Ų7195 Ų9543%0.4352%0.519SS..  trans-68.8102.4157-178.70000105.8Y465 Q913 V917Y465-V915 HydrophobicContact CE1-CG1 4.25Å; Q913-V915 VanDerWaalsContact C-N 3.26Å; Q913-V915 PolarHBondContact O-N 3.1Å; V915-V917 PolarHBondContact O-N 3.43Å
916S34Very low39.7Very low83 Ų8388.2 Ų88.258%0.5848%0.482SS*.  trans-43.2110.2176.359.90000109.7E914 V918E914-S916 VanDerWaalsContact C-N 3.33Å; E914-S916 PolarHBondContact O-N 2.89Å; S916-V918 PolarHBondContact O-N 3Å
917V39.8Very low41.9Very low112 Ų11281.9 Ų81.968%0.67945%0.449SS*.  trans-66.8105.1-179.5-179.90000107.1V915 R919V915-V917 PolarHBondContact O-N 3.43Å; V917-R919 PolarHBondContact O-N 3.18Å
918V40.6Very low44.1Very low49 Ų4976.3 Ų76.330%0.29741%0.413SS..  trans-67.2130.6178.8178.50000107.9S916 L920S916-V918 PolarHBondContact O-N 3Å; V918-L920 PolarHBondContact O-N 3.31Å
919R40.3Very low46.9Very low245 Ų24573 Ų7393%0.92539%0.386SS*.  trans-6689.8158.6-75.1-171.6-179.1-174.20.5106.8V917 G921V917-R919 PolarHBondContact O-N 3.18Å; R919-G921 PolarHBondContact O-N 2.92Å
920L42.6Very low49.4Very low37 Ų3767.6 Ų67.619%0.19436%0.358CS..  trans-54128173.6-64.7165.3000107.4L844 V918 I925 T930L844-L920 HydrophobicContact CD1-CD2 4.48Å; V918-L920 PolarHBondContact O-N 3.31Å; L920-I925 HydrophobicContact CB-CD1 3.61Å; L920-I925 HydrophobicContact CB-CG1 3.54Å; L920-I925 HydrophobicContact CD1-CG1 3.83Å; L920-I925 HydrophobicContact CG-CG1 4.33Å; L920-I925 WeakPolarHBondContact O-CD1 3.49Å; L920-T930 HydrophobicContact CD2-CG2 4.1Å
921G49.3Very low52Low37 Ų3761.4 Ų61.438%0.38132%0.324SS..  trans-58.9141.2170.400000109.6R919 A923 S924 I925R919-G921 PolarHBondContact O-N 2.92Å; G921-A923 PolarHBondContact O-N 3.16Å; G921-S924 PolarHBondContact O-N 3Å; G921-I925 WeakPolarHBondContact O-CD1 3.25Å
922N50.6Low54Low57 Ų5758 Ų5831%0.30530%0.299SS..THydrogen-bonded Turntrans-48.9-33.9-165.2-68.6-18.8000115.3M302M302-N922 HydrophobicContact CG-CB 4Å; M302-N922 HydrophobicContact SD-CB 4.28Å; M302-N922 PolarHBondContact SD-ND2 3.41Å
923A47.3Very low55.8Low6 Ų655.1 Ų55.15%0.0529%0.286CS..THydrogen-bonded Turntrans-75.9-33.4-179.100000113.5G827 T828 V831 G921 I925 A926G827-A923 WeakPolarHBondContact O-CB 3.35Å; T828-A923 HydrophobicContact CG2-CB 3.35Å; V831-A923 HydrophobicContact CG2-CB 4.3Å; G921-A923 PolarHBondContact O-N 3.16Å; A923-I925 VanDerWaalsContact C-N 3.25Å; A923-I925 PolarHBondContact O-N 3.46Å; A923-A926 WeakPolarHBondContact O-CB 3.27Å; A923-A926 PolarHBondContact O-N 2.69Å; A923-A926 VanDerWaalsContact O-N 3.13Å
924S54.4Low57.8Low8 Ų849.8 Ų49.86%0.05627%0.267CS..G310 helixtrans-69.1-23-177.6-49.20000113.4L844 G921 A926 A927 T930L844-S924 WeakPolarHBondContact CD2-OG 3.35Å; G921-S924 PolarHBondContact O-N 3Å; S924-A926 PolarHBondContact O-N 3.23Å; S924-A927 PolarHBondContact O-N 3.06Å; S924-T930 PolarHBondContact O-OG1 2.95Å
925I58.4Low60.4Low9 Ų941.8 Ų41.85%0.04623%0.231CC..G310 helixtrans-69.1-26175.4-65.1124.7000112I242 M245 L920 G921 A923 A927I242-I925 HydrophobicContact CG1-CG2 4.38Å; M245-I925 HydrophobicContact CE-CB 3.88Å; M245-I925 HydrophobicContact CE-CD1 3.19Å; M245-I925 HydrophobicContact CE-CG1 3.19Å; M245-I925 HydrophobicContact CE-CG2 3.53Å; M245-I925 HydrophobicContact CG-CD1 3.68Å; M245-I925 HydrophobicContact SD-CB 3.93Å; M245-I925 HydrophobicContact SD-CD1 3.26Å; M245-I925 WeakPolarHBondContact SD-CD1 3.11Å; M245-I925 HydrophobicContact SD-CG1 3.71Å; M245-I925 HydrophobicContact SD-CG2 3.62Å; L920-I925 HydrophobicContact CB-CD1 3.61Å; L920-I925 HydrophobicContact CB-CG1 3.54Å; L920-I925 HydrophobicContact CD1-CG1 3.83Å; L920-I925 HydrophobicContact CG-CG1 4.33Å; L920-I925 WeakPolarHBondContact O-CD1 3.49Å; G921-I925 WeakPolarHBondContact O-CD1 3.25Å; A923-I925 VanDerWaalsContact C-N 3.25Å; A923-I925 PolarHBondContact O-N 3.46Å; I925-A927 PolarHBondContact O-N 3.3Å
926A61.1Low62.8Low0 Ų038.4 Ų38.40%021%0.211CC..G310 helixtrans-62.6-34.5178.500000112.2I381 V831 K835 A923 S924I381-A926 HydrophobicContact CD1-CB 3.76Å; I381-A926 HydrophobicContact CG1-CB 3.52Å; V831-A926 HydrophobicContact CB-CB 4.43Å; V831-A926 HydrophobicContact CG1-CB 3.56Å; V831-A926 HydrophobicContact CG2-CB 4.36Å; K835-A926 WeakPolarHBondContact CD-O 3.3Å; A923-A926 WeakPolarHBondContact O-CB 3.27Å; A923-A926 PolarHBondContact O-N 2.69Å; A923-A926 VanDerWaalsContact O-N 3.13Å; S924-A926 PolarHBondContact O-N 3.23Å
927A74.3Confident65.4Low0 Ų036.7 Ų36.70%020%0.195CC..SBendtrans-74.5138.4-178.700000110.8T467 L834 A842 S924 I925 F929T467-A927 PolarHBondContact OG1-O 2.83Å; L834-A927 HydrophobicContact CB-CB 4.29Å; L834-A927 HydrophobicContact CD1-CB 4.22Å; A842-A927 HydrophobicContact CB-CB 3.58Å; S924-A927 PolarHBondContact O-N 3.06Å; I925-A927 PolarHBondContact O-N 3.3Å; A927-F929 VanDerWaalsContact CB-O 3.29Å; A927-F929 WeakPolarHBondContact CB-O 3.2Å; A927-F929 PolarHBondContact O-N 2.82Å
928P78.5Confident67.7Low0 Ų031.4 Ų31.40%016%0.163CC..SBendtrans-52.8-33.7169.5-32.138.4000114.4C466 T467C466-P928 CarbonylContact C-O 3.19Å; C466-P928 VanDerWaalsContact CA-O 3.32Å; C466-P928 WeakPolarHBondContact CA-O 3.47Å; C466-P928 PolarHBondContact SG-O 3.26Å; C466-P928 VanDerWaalsContact SG-O 3.39Å; T467-P928 PolarHBondContact N-O 3.44Å; T467-P928 WeakPolarHBondContact OG1-CA 3.38Å; T467-P928 PolarHBondContact OG1-O 2.79Å
929F86.7Confident70.2Confident0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-127.8138.8177.8-61.1-87000110.5L459 V464 Y465 C466 R471 I472 V839 G840 V841 A842 A927 I942L459-F929 HydrophobicContact CD1-CE1 4.1Å; V464-F929 HydrophobicContact CG1-CD1 4.3Å; Y465-F929 CarbonylContact O-C 3.05Å; Y465-F929 VanDerWaalsContact O-CA 3.3Å; Y465-F929 WeakPolarHBondContact O-CA 3.19Å; C466-F929 HydrophobicContact CB-CD1 3.86Å; C466-F929 HydrophobicContact CB-CE1 3.81Å; C466-F929 WeakPolarHBondContact SG-CE1 3.34Å; R471-F929 HydrophobicContact CB-CE2 4.09Å; R471-F929 HydrophobicContact CB-CZ 4.3Å; I472-F929 HydrophobicContact CB-CZ 4.5Å; I472-F929 HydrophobicContact CG1-CE1 3.73Å; I472-F929 HydrophobicContact CG1-CZ 3.78Å; V839-F929 HydrophobicContact CB-CE2 4.46Å; V839-F929 HydrophobicContact CG1-CD2 3.71Å; V839-F929 HydrophobicContact CG1-CE2 3.69Å; V839-F929 HydrophobicContact CG2-CE2 4.49Å; G840-F929 WeakPolarHBondContact O-CB 3.31Å; G840-F929 PolarHBondContact O-N 3Å; V841-F929 WeakPolarHBondContact CA-O 3.37Å; V841-F929 HydrophobicContact CG2-CB 4.25Å; A842-F929 PolarHBondContact N-O 2.81Å; A927-F929 VanDerWaalsContact CB-O 3.29Å; A927-F929 WeakPolarHBondContact CB-O 3.2Å; A927-F929 PolarHBondContact O-N 2.82Å; F929-I942 HydrophobicContact CB-CD1 3.8Å; F929-I942 HydrophobicContact CD1-CD1 4.14Å; F929-I942 HydrophobicContact CD1-CG1 4.23Å; F929-I942 HydrophobicContact CD1-CG2 4.42Å; F929-I942 HydrophobicContact CE1-CG2 4.33Å; F929-I942 HydrophobicContact CG-CD1 3.97Å; F929-I942 HydrophobicContact CZ-CG2 4.39Å
930T83.1Confident72.7Confident0 Ų017.6 Ų17.60%011%0.106CC..EExtended strand (participates in β ladder)trans-125.6118.9173.4-46.10000108.8V464 Y465 A842 L844 L920 S924V464-T930 WeakPolarHBondContact CA-O 3.31Å; Y465-T930 PolarHBondContact N-O 2.89Å; Y465-T930 PolarHBondContact O-N 2.84Å; A842-T930 WeakPolarHBondContact O-CA 3.18Å; L844-T930 HydrophobicContact CD1-CG2 3.61Å; L844-T930 HydrophobicContact CG-CG2 3.81Å; L920-T930 HydrophobicContact CD2-CG2 4.1Å; S924-T930 PolarHBondContact O-OG1 2.95Å
931A83.5Confident75Confident0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-95.5121.6172.700000109.1V464 A842 L843 L844 M933V464-A931 HydrophobicContact CG2-CB 4.32Å; A842-A931 PolarHBondContact O-N 3.12Å; L843-A931 HydrophobicContact CD2-CB 3.87Å; L844-A931 PolarHBondContact N-O 2.97Å; A931-M933 VanDerWaalsContact C-N 3.26Å; A931-M933 HydrophobicContact CB-CG 3.89Å
932K74.9Confident77.1Confident50 Ų5016.4 Ų16.422%0.2179%0.089CC..SBendtrans-71.3-26.9174.7-171.5-179.6177.2-178.80111.9L463 Y465 S934L463-K932 HydrophobicContact CB-CB 4.14Å; L463-K932 PolarHBondContact O-N 3.01Å; Y465-K932 HydrophobicContact CE2-CB 4.43Å; K932-S934 PolarHBondContact O-N 2.79Å
933M72.9Confident79.1Confident43 Ų4313.7 Ų13.721%0.2128%0.075CC..SBendtrans-64.5126.2168.950.9-174.362.600108.9L462 A931 S935 I937L462-M933 WeakPolarHBondContact O-CE 3.17Å; A931-M933 VanDerWaalsContact C-N 3.26Å; A931-M933 HydrophobicContact CB-CG 3.89Å; M933-S935 PolarHBondContact O-N 3.04Å; M933-I937 HydrophobicContact CE-CG2 4.44Å; M933-I937 HydrophobicContact SD-CG2 3.32Å; M933-I937 WeakPolarHBondContact SD-CG2 3.3Å
934S75.8Confident81.2Confident57 Ų5714.4 Ų14.440%0.3998%0.078SC..SBendtrans-67.34.4169.559.50000112.1K680 K932K680-S934 WeakPolarHBondContact CD-O 3.36Å; K680-S934 WeakPolarHBondContact CE-O 3.04Å; K680-S934 PolarHBondContact NZ-O 2.75Å; K932-S934 PolarHBondContact O-N 2.79Å
935S84.2Confident83Confident13 Ų1314.5 Ų14.59%0.0918%0.077CC..SBendtrans-96.2140-178.8174.90000112.2D682 M933 I937D682-S935 VanDerWaalsContact CB-OG 3.3Å; D682-S935 WeakPolarHBondContact CB-OG 3.31Å; D682-S935 VanDerWaalsContact OD2-CB 3.29Å; D682-S935 WeakPolarHBondContact OD2-CB 3.27Å; D682-S935 PolarHBondContact OD2-OG 2.99Å; M933-S935 PolarHBondContact O-N 3.04Å; S935-I937 PolarHBondContact O-N 3.08Å; S935-I937 VanDerWaalsContact O-N 3.1Å; S935-I937 WeakPolarHBondContact OG-CB 3.39Å; S935-I937 VanDerWaalsContact OG-CG2 3.31Å; S935-I937 WeakPolarHBondContact OG-CG2 3.4Å; S935-I937 PolarHBondContact OG-N 3.29Å
936P86.4Confident84.6Confident0 Ų014 Ų140%08%0.075CC..THydrogen-bonded Turntrans-66.5-6.4174.329-34.9000113.5F483 V686 G938 V939F483-P936 HydrophobicContact CE1-CB 4.4Å; V686-P936 HydrophobicContact CB-CG 4.41Å; V686-P936 HydrophobicContact CG1-CB 4.22Å; V686-P936 HydrophobicContact CG2-CG 4.22Å; P936-G938 PolarHBondContact O-N 2.87Å; P936-G938 VanDerWaalsContact O-N 3.1Å; P936-V939 VanDerWaalsContact O-CB 3.32Å; P936-V939 WeakPolarHBondContact O-CB 3.3Å; P936-V939 PolarHBondContact O-N 3.02Å
937I89.9Confident86.1Confident48 Ų4814.3 Ų14.325%0.2468%0.076CC..Hα-helixtrans-55.5-27175.2-163.880.8000112.5V686 M933 S935 V939 C940 H941V686-I937 HydrophobicContact CG2-CB 4.12Å; V686-I937 HydrophobicContact CG2-CD1 3.9Å; M933-I937 HydrophobicContact CE-CG2 4.44Å; M933-I937 HydrophobicContact SD-CG2 3.32Å; M933-I937 WeakPolarHBondContact SD-CG2 3.3Å; S935-I937 PolarHBondContact O-N 3.08Å; S935-I937 VanDerWaalsContact O-N 3.1Å; S935-I937 WeakPolarHBondContact OG-CB 3.39Å; S935-I937 VanDerWaalsContact OG-CG2 3.31Å; S935-I937 WeakPolarHBondContact OG-CG2 3.4Å; S935-I937 PolarHBondContact OG-N 3.29Å; I937-V939 PolarHBondContact O-N 3.27Å; I937-V939 VanDerWaalsContact O-N 3.16Å; I937-C940 WeakPolarHBondContact O-CB 3.32Å; I937-C940 PolarHBondContact O-N 3.16Å; I937-H941 PolarHBondContact O-CD2 2.97Å; I937-H941 PolarHBondContact O-N 3.4Å; I937-H941 VanDerWaalsContact O-N 3.15Å
938G88.2Confident86.9Confident0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-53.9-32.9173.100000112.9P936 H941 I942P936-G938 PolarHBondContact O-N 2.87Å; P936-G938 VanDerWaalsContact O-N 3.1Å; G938-H941 PolarHBondContact O-N 2.65Å; G938-I942 WeakPolarHBondContact O-CD1 3.34Å; G938-I942 WeakPolarHBondContact O-CG1 3.46Å; G938-I942 PolarHBondContact O-N 3.41Å
939V92.3Very high87.5Confident0 Ų014.5 Ų14.50%08%0.077CC..Hα-helixtrans-64-44.5175.5175.20000111.4F483 L690 L822 C824 V841 P936 I937 H941 I942 I943F483-V939 HydrophobicContact CE1-CG2 4.03Å; F483-V939 HydrophobicContact CZ-CG1 4.2Å; F483-V939 HydrophobicContact CZ-CG2 4.4Å; L690-V939 HydrophobicContact CD1-CG1 4.28Å; L822-V939 HydrophobicContact CD1-CG1 3.75Å; L822-V939 HydrophobicContact CD2-CG1 3.89Å; L822-V939 HydrophobicContact CD2-CG2 4.37Å; C824-V939 HydrophobicContact CB-CG2 3.96Å; V841-V939 HydrophobicContact CB-CG2 4.46Å; V841-V939 HydrophobicContact CG1-CG2 4.33Å; V841-V939 HydrophobicContact CG2-CG2 4.38Å; P936-V939 VanDerWaalsContact O-CB 3.32Å; P936-V939 WeakPolarHBondContact O-CB 3.3Å; P936-V939 PolarHBondContact O-N 3.02Å; I937-V939 PolarHBondContact O-N 3.27Å; I937-V939 VanDerWaalsContact O-N 3.16Å; V939-H941 VanDerWaalsContact C-N 3.34Å; V939-H941 PolarHBondContact O-N 3.4Å; V939-I942 PolarHBondContact O-N 3.19Å; V939-I943 HydrophobicContact CG1-CD1 3.84Å; V939-I943 WeakPolarHBondContact O-CG1 3.42Å; V939-I943 PolarHBondContact O-N 2.83Å
940C91.9Very high87.6Confident4 Ų414.7 Ų14.73%0.0278%0.078CC..Hα-helixtrans-62.6-42.7176.2-70.90000111.2I937 I942 I943 M944I937-C940 WeakPolarHBondContact O-CB 3.32Å; I937-C940 PolarHBondContact O-N 3.16Å; C940-I942 PolarHBondContact O-N 3.25Å; C940-I943 PolarHBondContact O-N 3.39Å; C940-M944 HydrophobicContact CB-CE 4.41Å; C940-M944 WeakPolarHBondContact O-CB 3.49Å; C940-M944 VanDerWaalsContact O-CG 3.28Å; C940-M944 WeakPolarHBondContact O-CG 3.39Å; C940-M944 PolarHBondContact O-N 3.39Å
941H91.5Very high87.9Confident48 Ų4815.3 Ų15.322%0.2228%0.082CC..Hα-helixtrans-61-43.2176-70.8-52.7000112.8L462 I937 G938 V939 M944 Q945L462-H941 HydrophobicContact CD1-CB 4.04Å; I937-H941 PolarHBondContact O-CD2 2.97Å; I937-H941 PolarHBondContact O-N 3.4Å; I937-H941 VanDerWaalsContact O-N 3.15Å; G938-H941 PolarHBondContact O-N 2.65Å; V939-H941 VanDerWaalsContact C-N 3.34Å; V939-H941 PolarHBondContact O-N 3.4Å; H941-M944 WeakPolarHBondContact ND1-CE 3.1Å; H941-M944 PolarHBondContact O-N 3.06Å; H941-Q945 WeakPolarHBondContact O-CB 3.48Å; H941-Q945 PolarHBondContact O-N 3.34Å
942I92.6Very high88.2Confident1 Ų115.5 Ų15.51%0.0058%0.083CC..Hα-helixtrans-62.3-43.6176.5-69.2163.1000110.9L459 V464 A475 V839 V841 F929 G938 V939 C940 G946L459-I942 HydrophobicContact CD2-CG1 4.29Å; V464-I942 HydrophobicContact CG1-CD1 3.81Å; V464-I942 HydrophobicContact CG1-CG1 3.74Å; A475-I942 HydrophobicContact CB-CG2 3.64Å; V839-I942 HydrophobicContact CG1-CG2 3.95Å; V841-I942 HydrophobicContact CB-CD1 4.38Å; V841-I942 HydrophobicContact CG1-CD1 3.85Å; V841-I942 HydrophobicContact CG2-CD1 3.6Å; F929-I942 HydrophobicContact CB-CD1 3.8Å; F929-I942 HydrophobicContact CD1-CD1 4.14Å; F929-I942 HydrophobicContact CD1-CG1 4.23Å; F929-I942 HydrophobicContact CD1-CG2 4.42Å; F929-I942 HydrophobicContact CE1-CG2 4.33Å; F929-I942 HydrophobicContact CG-CD1 3.97Å; F929-I942 HydrophobicContact CZ-CG2 4.39Å; G938-I942 WeakPolarHBondContact O-CD1 3.34Å; G938-I942 WeakPolarHBondContact O-CG1 3.46Å; G938-I942 PolarHBondContact O-N 3.41Å; V939-I942 PolarHBondContact O-N 3.19Å; C940-I942 PolarHBondContact O-N 3.25Å; I942-G946 WeakPolarHBondContact O-CA 3.41Å; I942-G946 PolarHBondContact O-N 2.84Å
943I93.2Very high88.8Confident0 Ų013.7 Ų13.70%08%0.076CC..Hα-helixtrans-67.3-45.1178.7-65.7165.9000110.9I478 L690 L822 V939 C940 Q945 G946 R947 L1009I478-I943 HydrophobicContact CD1-CD1 4.41Å; I478-I943 HydrophobicContact CD1-CG1 3.86Å; L690-I943 HydrophobicContact CD2-CD1 3.39Å; L822-I943 HydrophobicContact CD1-CD1 4.49Å; L822-I943 HydrophobicContact CD1-CG1 4.45Å; V939-I943 HydrophobicContact CG1-CD1 3.84Å; V939-I943 WeakPolarHBondContact O-CG1 3.42Å; V939-I943 PolarHBondContact O-N 2.83Å; C940-I943 PolarHBondContact O-N 3.39Å; I943-Q945 PolarHBondContact O-N 3.41Å; I943-G946 PolarHBondContact O-N 3.3Å; I943-R947 HydrophobicContact CG2-CG 4.27Å; I943-R947 WeakPolarHBondContact O-CB 3.35Å; I943-R947 VanDerWaalsContact O-CG 3.29Å; I943-R947 WeakPolarHBondContact O-CG 3.29Å; I943-R947 PolarHBondContact O-N 3.25Å; I943-L1009 HydrophobicContact CB-CD1 4.41Å; I943-L1009 HydrophobicContact CG2-CD1 3.69Å
944M92.1Very high89.5Confident22 Ų2212.5 Ų12.511%0.1087%0.071CC..Hα-helixtrans-59.6-48.2178-72.6-175-66.900111.2C940 H941 R947 C948 L1009C940-M944 HydrophobicContact CB-CE 4.41Å; C940-M944 WeakPolarHBondContact O-CB 3.49Å; C940-M944 VanDerWaalsContact O-CG 3.28Å; C940-M944 WeakPolarHBondContact O-CG 3.39Å; C940-M944 PolarHBondContact O-N 3.39Å; H941-M944 WeakPolarHBondContact ND1-CE 3.1Å; H941-M944 PolarHBondContact O-N 3.06Å; M944-R947 PolarHBondContact O-N 3Å; M944-C948 PolarHBondContact O-N 2.92Å; M944-L1009 HydrophobicContact CG-CB 4.37Å; M944-L1009 HydrophobicContact CG-CD1 3.74Å
945Q92Very high90.1Very high9 Ų99.9 Ų9.94%0.0425%0.052CC..Hα-helixtrans-65.1-41.3176.5-172.462.645.600111.5S455 L459 I472 H941 I943 R947 C948 T949 P1005S455-Q945 VanDerWaalsContact CB-NE2 3.27Å; L459-Q945 HydrophobicContact CD1-CG 4.29Å; L459-Q945 HydrophobicContact CD2-CB 3.95Å; L459-Q945 HydrophobicContact CD2-CG 4.23Å; L459-Q945 HydrophobicContact CG-CB 4.28Å; L459-Q945 HydrophobicContact CG-CG 3.99Å; I472-Q945 HydrophobicContact CG2-CG 4.43Å; H941-Q945 WeakPolarHBondContact O-CB 3.48Å; H941-Q945 PolarHBondContact O-N 3.34Å; I943-Q945 PolarHBondContact O-N 3.41Å; Q945-R947 PolarHBondContact O-N 3.17Å; Q945-C948 WeakPolarHBondContact O-CB 3.41Å; Q945-C948 PolarHBondContact O-N 3.5Å; Q945-T949 PolarHBondContact NE2-OG1 3.19Å; Q945-T949 PolarHBondContact O-N 2.8Å; Q945-T949 PolarHBondContact O-OG1 2.9Å; Q945-P1005 VanDerWaalsContact OE1-CG 3.3Å
946G91.9Very high90.3Very high0 Ų09.3 Ų9.30%05%0.048CC..Hα-helixtrans-62.2-41.117800000113.2I472 G476 I942 I943 T949 L950I472-G946 WeakPolarHBondContact O-CA 3.37Å; G476-G946 VanDerWaalsContact CA-C 3.49Å; I942-G946 WeakPolarHBondContact O-CA 3.41Å; I942-G946 PolarHBondContact O-N 2.84Å; I943-G946 PolarHBondContact O-N 3.3Å; G946-T949 PolarHBondContact O-N 2.88Å; G946-L950 VanDerWaalsContact O-CB 3.23Å; G946-L950 WeakPolarHBondContact O-CB 3.28Å; G946-L950 PolarHBondContact O-N 2.9Å
947R91.7Very high90.4Very high5 Ų510 Ų102%0.0195%0.051CC..Hα-helixtrans-63.3-45173.8-72.2-179.3174.8-167.8-0.2111S693 H695 I943 M944 Q945 L950 V951 S1010 E1012 P1014 F1093S693-R947 PolarHBondContact O-NH2 3.34Å; H695-R947 PolarHBondContact CE1-NH2 2.82Å; H695-R947 PolarHBondContact NE2-NH2 3.26Å; I943-R947 HydrophobicContact CG2-CG 4.27Å; I943-R947 WeakPolarHBondContact O-CB 3.35Å; I943-R947 VanDerWaalsContact O-CG 3.29Å; I943-R947 WeakPolarHBondContact O-CG 3.29Å; I943-R947 PolarHBondContact O-N 3.25Å; M944-R947 PolarHBondContact O-N 3Å; Q945-R947 PolarHBondContact O-N 3.17Å; R947-L950 PolarHBondContact O-N 3.04Å; R947-V951 WeakPolarHBondContact O-CB 3.43Å; R947-V951 WeakPolarHBondContact O-CG2 3.45Å; R947-V951 PolarHBondContact O-N 2.99Å; R947-S1010 PolarHBondContact NH1-O 2.69Å; R947-S1010 PolarHBondContact NH1-OG 3.23Å; R947-E1012 PolarHBondContact NH1-O 3.22Å; R947-P1014 HydrophobicContact CB-CG 4.42Å; R947-P1014 HydrophobicContact CG-CG 4.05Å; R947-F1093 HydrophobicContact CB-CD1 3.87Å; R947-F1093 HydrophobicContact CB-CG 4.46Å; R947-F1093 HydrophobicContact CG-CD1 4.34Å
948C91.2Very high90.4Very high1 Ų18.1 Ų8.11%0.0074%0.041CC..Hα-helixtrans-59.4-52.8174.9-177.40000111.2M944 Q945 L950 V951 T952 P1005M944-C948 PolarHBondContact O-N 2.92Å; Q945-C948 WeakPolarHBondContact O-CB 3.41Å; Q945-C948 PolarHBondContact O-N 3.5Å; C948-L950 VanDerWaalsContact C-N 3.33Å; C948-L950 PolarHBondContact O-N 2.72Å; C948-V951 PolarHBondContact O-N 2.87Å; C948-T952 WeakPolarHBondContact O-CB 3.35Å; C948-T952 PolarHBondContact O-N 3.44Å; C948-T952 PolarHBondContact O-OG1 3.23Å; C948-P1005 HydrophobicContact CB-CB 3.89Å
949T90.4Very high90.5Very high3 Ų38.1 Ų8.12%0.0184%0.041CC..Hα-helixtrans-61.3-40.4-179.7-55.70000111.6V452 S455 I472 P473 Q945 G946 T952 T953V452-T949 HydrophobicContact CG2-CG2 4.41Å; S455-T949 WeakPolarHBondContact CB-OG1 3.28Å; S455-T949 PolarHBondContact OG-OG1 2.89Å; I472-T949 HydrophobicContact CG2-CG2 4.3Å; P473-T949 HydrophobicContact CG-CG2 4.05Å; Q945-T949 PolarHBondContact NE2-OG1 3.19Å; Q945-T949 PolarHBondContact O-N 2.8Å; Q945-T949 PolarHBondContact O-OG1 2.9Å; G946-T949 PolarHBondContact O-N 2.88Å; T949-T952 PolarHBondContact O-N 2.82Å; T949-T953 HydrophobicContact CG2-CG2 4.5Å; T949-T953 WeakPolarHBondContact O-CG2 3.46Å; T949-T953 PolarHBondContact O-N 2.82Å; T949-T953 PolarHBondContact O-OG1 2.86Å
950L89.7Confident90.4Very high4 Ų48.3 Ų8.32%0.0214%0.042CC..Hα-helixtrans-63.1-43.4176.8176.863.4000112.5K477 G946 R947 C948 T952 T953 L954 P1014K477-L950 HydrophobicContact CD-CD2 4.46Å; K477-L950 VanDerWaalsContact CE-CD1 3.44Å; K477-L950 HydrophobicContact CG-CD1 4.35Å; K477-L950 HydrophobicContact CG-CD2 3.53Å; G946-L950 VanDerWaalsContact O-CB 3.23Å; G946-L950 WeakPolarHBondContact O-CB 3.28Å; G946-L950 PolarHBondContact O-N 2.9Å; R947-L950 PolarHBondContact O-N 3.04Å; C948-L950 VanDerWaalsContact C-N 3.33Å; C948-L950 PolarHBondContact O-N 2.72Å; L950-T952 VanDerWaalsContact C-N 3.33Å; L950-T953 PolarHBondContact O-N 2.78Å; L950-T953 PolarHBondContact O-OG1 3.33Å; L950-L954 HydrophobicContact CD1-CD1 4.19Å; L950-L954 HydrophobicContact CD1-CG 4.4Å; L950-L954 HydrophobicContact CG-CD1 4.13Å; L950-L954 WeakPolarHBondContact O-CB 3.48Å; L950-L954 VanDerWaalsContact O-CG 3.3Å; L950-L954 WeakPolarHBondContact O-CG 3.16Å; L950-L954 PolarHBondContact O-N 3.15Å; L950-P1014 HydrophobicContact CD2-CB 4.2Å; L950-P1014 HydrophobicContact CD2-CG 3.85Å
951V89.6Confident90.3Very high13 Ų138.2 Ų8.28%0.0794%0.041CC..Hα-helixtrans-66.1-41177172.30000110.1R947 C948 T953 L954 Q955 P1014 T1089 F1093 M1094R947-V951 WeakPolarHBondContact O-CB 3.43Å; R947-V951 WeakPolarHBondContact O-CG2 3.45Å; R947-V951 PolarHBondContact O-N 2.99Å; C948-V951 PolarHBondContact O-N 2.87Å; V951-T953 PolarHBondContact O-N 3.14Å; V951-L954 PolarHBondContact O-N 3.37Å; V951-Q955 WeakPolarHBondContact O-CG 3.39Å; V951-Q955 PolarHBondContact O-N 3.42Å; V951-P1014 HydrophobicContact CG2-CB 3.84Å; V951-T1089 HydrophobicContact CG1-CG2 4.5Å; V951-T1089 WeakPolarHBondContact CG1-OG1 3.43Å; V951-F1093 HydrophobicContact CG2-CB 4.09Å; V951-F1093 HydrophobicContact CG2-CD2 3.65Å; V951-F1093 HydrophobicContact CG2-CE2 4.36Å; V951-F1093 HydrophobicContact CG2-CG 4Å; V951-M1094 HydrophobicContact CG1-SD 4.49Å
952T89.9Confident90.4Very high4 Ų45.9 Ų5.93%0.0253%0.03CC..Hα-helixtrans-60.7-42.7175.4-61.20000112.5A451 C948 T949 L950 Q955 M956 I1000A451-T952 HydrophobicContact CB-CG2 4.18Å; C948-T952 WeakPolarHBondContact O-CB 3.35Å; C948-T952 PolarHBondContact O-N 3.44Å; C948-T952 PolarHBondContact O-OG1 3.23Å; T949-T952 PolarHBondContact O-N 2.82Å; L950-T952 VanDerWaalsContact C-N 3.33Å; T952-Q955 WeakPolarHBondContact O-CG 3.12Å; T952-M956 HydrophobicContact CG2-CE 3.88Å; T952-M956 HydrophobicContact CG2-SD 4.04Å; T952-M956 WeakPolarHBondContact O-CB 3.35Å; T952-M956 WeakPolarHBondContact O-CG 3.48Å; T952-M956 PolarHBondContact O-N 2.96Å; T952-M956 VanDerWaalsContact O-N 3.11Å; T952-I1000 HydrophobicContact CG2-CG2 4.1Å
953T86.5Confident90.3Very high13 Ų136 Ų68%0.083%0.031CC..Hα-helixtrans-69.3-42.2176.956.30000111.3L448 A451 T949 L950 V951 Q955 M956 Y957L448-T953 HydrophobicContact CD2-CG2 3.58Å; A451-T953 HydrophobicContact CB-CG2 4.42Å; T949-T953 HydrophobicContact CG2-CG2 4.5Å; T949-T953 WeakPolarHBondContact O-CG2 3.46Å; T949-T953 PolarHBondContact O-N 2.82Å; T949-T953 PolarHBondContact O-OG1 2.86Å; L950-T953 PolarHBondContact O-N 2.78Å; L950-T953 PolarHBondContact O-OG1 3.33Å; V951-T953 PolarHBondContact O-N 3.14Å; T953-Q955 PolarHBondContact O-N 2.78Å; T953-M956 WeakPolarHBondContact O-CB 3.34Å; T953-M956 PolarHBondContact O-N 3.16Å; T953-Y957 WeakPolarHBondContact O-CD2 3.48Å; T953-Y957 PolarHBondContact O-N 3.1Å
954L87.9Confident90.1Very high18 Ų186.2 Ų6.29%0.0943%0.033CC..Hα-helixtrans-62-42178-74.4169.8000113.1L950 V951 Y957 K958 I1015 I1018L950-L954 HydrophobicContact CD1-CD1 4.19Å; L950-L954 HydrophobicContact CD1-CG 4.4Å; L950-L954 HydrophobicContact CG-CD1 4.13Å; L950-L954 WeakPolarHBondContact O-CB 3.48Å; L950-L954 VanDerWaalsContact O-CG 3.3Å; L950-L954 WeakPolarHBondContact O-CG 3.16Å; L950-L954 PolarHBondContact O-N 3.15Å; V951-L954 PolarHBondContact O-N 3.37Å; L954-Y957 PolarHBondContact O-N 3.28Å; L954-K958 PolarHBondContact O-N 3.03Å; L954-K958 VanDerWaalsContact O-N 3.11Å; L954-I1015 HydrophobicContact CD1-CB 4.33Å; L954-I1015 WeakPolarHBondContact CD1-O 2.98Å; L954-I1018 HydrophobicContact CD2-CB 4.11Å; L954-I1018 HydrophobicContact CD2-CG1 3.62Å
955Q88.9Confident90Very high2 Ų25.4 Ų5.41%0.0093%0.029CC..Hα-helixtrans-68.3-3717669.6-168.66.200111.7V951 T952 T953 Y957 K958 I959 I1000 T1089V951-Q955 WeakPolarHBondContact O-CG 3.39Å; V951-Q955 PolarHBondContact O-N 3.42Å; T952-Q955 WeakPolarHBondContact O-CG 3.12Å; T953-Q955 PolarHBondContact O-N 2.78Å; Q955-Y957 VanDerWaalsContact C-N 3.35Å; Q955-Y957 PolarHBondContact O-N 3.07Å; Q955-K958 PolarHBondContact O-N 3.07Å; Q955-I959 WeakPolarHBondContact O-CD1 3.48Å; Q955-I959 VanDerWaalsContact O-CG1 3.23Å; Q955-I959 WeakPolarHBondContact O-CG1 3.4Å; Q955-I959 PolarHBondContact O-N 3.27Å; Q955-I1000 VanDerWaalsContact NE2-CG2 3.31Å; Q955-T1089 PolarHBondContact OE1-OG1 3.46Å
956M88.6Confident89.9Confident1 Ų15.1 Ų5.11%0.0053%0.028CC..Hα-helixtrans-58.5-46.3172.4-74.6166.216400111.1E447 A451 T952 T953 K958 I959 L960 F997 I1000E447-M956 HydrophobicContact CB-CE 4.44Å; E447-M956 HydrophobicContact CB-SD 4.15Å; A451-M956 HydrophobicContact CB-CE 4.19Å; A451-M956 HydrophobicContact CB-SD 4.13Å; T952-M956 HydrophobicContact CG2-CE 3.88Å; T952-M956 HydrophobicContact CG2-SD 4.04Å; T952-M956 WeakPolarHBondContact O-CB 3.35Å; T952-M956 WeakPolarHBondContact O-CG 3.48Å; T952-M956 PolarHBondContact O-N 2.96Å; T952-M956 VanDerWaalsContact O-N 3.11Å; T953-M956 WeakPolarHBondContact O-CB 3.34Å; T953-M956 PolarHBondContact O-N 3.16Å; M956-K958 VanDerWaalsContact C-N 3.33Å; M956-K958 PolarHBondContact O-N 2.89Å; M956-I959 PolarHBondContact O-N 3.47Å; M956-L960 WeakPolarHBondContact O-CB 3.36Å; M956-L960 WeakPolarHBondContact O-CG 3.43Å; M956-L960 PolarHBondContact O-N 2.98Å; M956-F997 HydrophobicContact CB-CE1 4.36Å; M956-F997 HydrophobicContact CE-CD1 4.37Å; M956-F997 HydrophobicContact CG-CD1 3.99Å; M956-F997 HydrophobicContact CG-CE1 3.99Å; M956-I1000 HydrophobicContact CE-CB 4.45Å; M956-I1000 HydrophobicContact CE-CG2 4.04Å; M956-I1000 HydrophobicContact CG-CG2 4.47Å
957Y88.2Confident89.6Confident14 Ų147.9 Ų7.96%0.0554%0.042CC..Hα-helixtrans-56.5-43.7174.1-82-72.8000112.8S395 F398 L444 L448 T953 L954 Q955 A961 I1018S395-Y957 PolarHBondContact OG-OH 3.13Å; F398-Y957 HydrophobicContact CD1-CD1 4.3Å; F398-Y957 HydrophobicContact CE1-CD1 4.35Å; L444-Y957 HydrophobicContact CD1-CD1 3.68Å; L444-Y957 HydrophobicContact CD1-CE1 3.46Å; L444-Y957 VanDerWaalsContact CD1-CE1 3.46Å; L444-Y957 HydrophobicContact CD1-CG 4.37Å; L444-Y957 HydrophobicContact CD2-CD1 4.33Å; L444-Y957 HydrophobicContact CD2-CE1 3.68Å; L444-Y957 HydrophobicContact CG-CE1 4.11Å; L448-Y957 HydrophobicContact CD1-CE2 4.34Å; L448-Y957 VanDerWaalsContact CD1-OH 3.27Å; L448-Y957 WeakPolarHBondContact CD1-OH 3.46Å; L448-Y957 HydrophobicContact CD2-CE2 3.81Å; T953-Y957 WeakPolarHBondContact O-CD2 3.48Å; T953-Y957 PolarHBondContact O-N 3.1Å; L954-Y957 PolarHBondContact O-N 3.28Å; Q955-Y957 VanDerWaalsContact C-N 3.35Å; Q955-Y957 PolarHBondContact O-N 3.07Å; Y957-A961 WeakPolarHBondContact O-CB 3.46Å; Y957-A961 PolarHBondContact O-N 2.88Å; Y957-I1018 HydrophobicContact CD1-CG2 4.41Å; Y957-I1018 HydrophobicContact CD2-CD1 3.83Å; Y957-I1018 HydrophobicContact CD2-CG1 3.95Å; Y957-I1018 HydrophobicContact CD2-CG2 4.42Å; Y957-I1018 HydrophobicContact CE1-CD1 4.15Å; Y957-I1018 HydrophobicContact CE2-CD1 3.43Å; Y957-I1018 VanDerWaalsContact CE2-CD1 3.43Å; Y957-I1018 HydrophobicContact CE2-CG1 4.04Å; Y957-I1018 HydrophobicContact CG-CD1 4.4Å; Y957-I1018 HydrophobicContact CG-CG1 4.49Å; Y957-I1018 HydrophobicContact CG-CG2 4.14Å
958K89.9Confident89.3Confident8 Ų87.8 Ų7.84%0.0354%0.042CC..Hα-helixtrans-62.8-49.5177.3-69.6-165.8-64.5161.10111.7L954 Q955 M956 A961 I962 Y1022 T1026 V1027 N1087 D1154L954-K958 PolarHBondContact O-N 3.03Å; L954-K958 VanDerWaalsContact O-N 3.11Å; Q955-K958 PolarHBondContact O-N 3.07Å; M956-K958 VanDerWaalsContact C-N 3.33Å; M956-K958 PolarHBondContact O-N 2.89Å; K958-A961 PolarHBondContact O-N 2.84Å; K958-I962 WeakPolarHBondContact O-CG1 3.37Å; K958-I962 PolarHBondContact O-N 2.65Å; K958-I962 VanDerWaalsContact O-N 3.09Å; K958-Y1022 PolarHBondContact NZ-OH 3.48Å; K958-T1026 HydrophobicContact CD-CG2 3.57Å; K958-T1026 HydrophobicContact CG-CG2 4.42Å; K958-V1027 HydrophobicContact CB-CG2 4.48Å; K958-V1027 HydrophobicContact CG-CG2 4.44Å; K958-N1087 PolarHBondContact NZ-OD1 3.29Å; K958-D1154 IonicContact NZ-OD1 3.22Å; K958-D1154 PolarHBondContact NZ-OD1 3.36Å
959I90.8Very high89.1Confident1 Ų18.8 Ų8.81%0.0055%0.046CC..Hα-helixtrans-63.7-49.3-176.8-65.2157.1000109.9Q955 M956 A961 I962 N963 F997 I1000 T1083 L1084 N1087Q955-I959 WeakPolarHBondContact O-CD1 3.48Å; Q955-I959 VanDerWaalsContact O-CG1 3.23Å; Q955-I959 WeakPolarHBondContact O-CG1 3.4Å; Q955-I959 PolarHBondContact O-N 3.27Å; M956-I959 PolarHBondContact O-N 3.47Å; I959-A961 VanDerWaalsContact C-N 3.32Å; I959-A961 PolarHBondContact O-N 3.35Å; I959-I962 PolarHBondContact O-N 3.09Å; I959-N963 WeakPolarHBondContact O-CB 3.5Å; I959-N963 PolarHBondContact O-N 3.43Å; I959-N963 PolarHBondContact O-OD1 2.66Å; I959-F997 HydrophobicContact CB-CE1 4.16Å; I959-F997 HydrophobicContact CB-CZ 4.02Å; I959-F997 HydrophobicContact CD1-CE1 4.3Å; I959-F997 HydrophobicContact CG2-CE1 3.94Å; I959-F997 HydrophobicContact CG2-CE2 4.43Å; I959-F997 HydrophobicContact CG2-CZ 3.47Å; I959-F997 VanDerWaalsContact CG2-CZ 3.47Å; I959-I1000 HydrophobicContact CD1-CD1 4.25Å; I959-T1083 HydrophobicContact CB-CG2 4.39Å; I959-T1083 HydrophobicContact CG1-CG2 4.36Å; I959-T1083 HydrophobicContact CG2-CG2 4.2Å; I959-L1084 HydrophobicContact CD1-CD2 4.1Å; I959-L1084 HydrophobicContact CG2-CD2 3.69Å; I959-L1084 HydrophobicContact CG2-CG 4.09Å; I959-N1087 HydrophobicContact CD1-CB 4.39Å; I959-N1087 HydrophobicContact CG1-CB 3.9Å
960L89.9Confident89Confident4 Ų48.6 Ų8.62%0.0215%0.045CC..Hα-helixtrans-61.5-39.6178.6-75.8177000112.5P441 E443 L444 E447 M956 A964 F997P441-L960 HydrophobicContact CB-CB 4.1Å; P441-L960 HydrophobicContact CB-CD1 4.17Å; P441-L960 HydrophobicContact CB-CD2 4.17Å; P441-L960 HydrophobicContact CB-CG 4.41Å; P441-L960 HydrophobicContact CG-CB 4.24Å; P441-L960 HydrophobicContact CG-CD1 4.38Å; E443-L960 HydrophobicContact CB-CD2 4.35Å; L444-L960 HydrophobicContact CB-CD1 3.83Å; L444-L960 HydrophobicContact CD1-CD1 3.6Å; L444-L960 HydrophobicContact CG-CD1 4.36Å; E447-L960 WeakPolarHBondContact OE2-CD1 3.45Å; M956-L960 WeakPolarHBondContact O-CB 3.36Å; M956-L960 WeakPolarHBondContact O-CG 3.43Å; M956-L960 PolarHBondContact O-N 2.98Å; L960-A964 WeakPolarHBondContact O-CB 3.43Å; L960-A964 PolarHBondContact O-N 3.47Å; L960-F997 HydrophobicContact CD2-CE2 3.78Å; L960-F997 HydrophobicContact CD2-CZ 3.78Å; L960-F997 HydrophobicContact CG-CE2 4.36Å; L960-F997 HydrophobicContact CG-CZ 3.86Å
961A90.5Very high88.6Confident1 Ų110.1 Ų10.11%0.0086%0.056CC..Hα-helixtrans-62.5-46.6177.200000112.5F398 L402 Y957 K958 I959 A964 L965 V1027F398-A961 HydrophobicContact CE1-CB 3.69Å; F398-A961 HydrophobicContact CZ-CB 3.49Å; F398-A961 VanDerWaalsContact CZ-CB 3.49Å; L402-A961 HydrophobicContact CD1-CB 3.65Å; L402-A961 HydrophobicContact CD2-CB 3.84Å; L402-A961 HydrophobicContact CG-CB 4.37Å; Y957-A961 WeakPolarHBondContact O-CB 3.46Å; Y957-A961 PolarHBondContact O-N 2.88Å; K958-A961 PolarHBondContact O-N 2.84Å; I959-A961 VanDerWaalsContact C-N 3.32Å; I959-A961 PolarHBondContact O-N 3.35Å; A961-A964 PolarHBondContact O-N 3.38Å; A961-L965 WeakPolarHBondContact O-CG 3.48Å; A961-L965 PolarHBondContact O-N 3.43Å; A961-L965 VanDerWaalsContact O-N 3.12Å; A961-V1027 HydrophobicContact CB-CG1 4.09Å; A961-V1027 HydrophobicContact CB-CG2 4.3Å
962I92.6Very high88.3Confident0 Ų09.6 Ų9.60%05%0.052CC..Hα-helixtrans-67.1-44.4179.5-66.1165000110K958 I959 A964 L965 I966 V1027 Q1030 T1083K958-I962 WeakPolarHBondContact O-CG1 3.37Å; K958-I962 PolarHBondContact O-N 2.65Å; K958-I962 VanDerWaalsContact O-N 3.09Å; I959-I962 PolarHBondContact O-N 3.09Å; I962-A964 VanDerWaalsContact C-N 3.34Å; I962-A964 PolarHBondContact O-N 2.87Å; I962-L965 PolarHBondContact O-N 3.01Å; I962-I966 HydrophobicContact CG2-CD1 3.7Å; I962-I966 HydrophobicContact CG2-CG1 4.34Å; I962-I966 VanDerWaalsContact O-CG1 3.3Å; I962-I966 WeakPolarHBondContact O-CG1 3.48Å; I962-I966 PolarHBondContact O-N 3.13Å; I962-V1027 HydrophobicContact CD1-CG2 4.44Å; I962-V1027 HydrophobicContact CG1-CB 4.37Å; I962-V1027 HydrophobicContact CG1-CG1 4.1Å; I962-V1027 HydrophobicContact CG1-CG2 4.24Å; I962-Q1030 HydrophobicContact CD1-CB 4Å; I962-T1083 HydrophobicContact CB-CG2 3.83Å; I962-T1083 HydrophobicContact CD1-CG2 3.93Å; I962-T1083 HydrophobicContact CG2-CG2 3.76Å
963N90.3Very high88Confident3 Ų310 Ų102%0.0166%0.055CC..Hα-helixtrans-61.5-42.2177.5-69.3-1.9000111.8I959 L965 I966 I967 L993 E1080I959-N963 WeakPolarHBondContact O-CB 3.5Å; I959-N963 PolarHBondContact O-N 3.43Å; I959-N963 PolarHBondContact O-OD1 2.66Å; N963-L965 VanDerWaalsContact C-N 3.33Å; N963-L965 PolarHBondContact O-N 3.28Å; N963-I966 PolarHBondContact O-N 2.79Å; N963-I967 WeakPolarHBondContact O-CB 3.47Å; N963-I967 VanDerWaalsContact O-CG1 3.24Å; N963-I967 WeakPolarHBondContact O-CG1 3.39Å; N963-I967 PolarHBondContact O-N 3.38Å; N963-L993 WeakPolarHBondContact ND2-CD1 3.37Å; N963-E1080 HydrophobicContact CB-CG 4.49Å
964A89Confident87.7Confident5 Ų59.6 Ų9.64%0.0415%0.052CC..Hα-helixtrans-61.3-41.3176.400000111.8L960 A961 I962 I967 A968L960-A964 WeakPolarHBondContact O-CB 3.43Å; L960-A964 PolarHBondContact O-N 3.47Å; A961-A964 PolarHBondContact O-N 3.38Å; I962-A964 VanDerWaalsContact C-N 3.34Å; I962-A964 PolarHBondContact O-N 2.87Å; A964-I967 PolarHBondContact O-N 3.39Å; A964-A968 VanDerWaalsContact O-CB 3.32Å; A964-A968 WeakPolarHBondContact O-CB 3.42Å; A964-A968 PolarHBondContact O-N 3.19Å
965L90.3Very high87.3Confident4 Ų49.7 Ų9.72%0.0215%0.051CC..Hα-helixtrans-68.2-39.2175.4-67.2176000112.7L402 F405 A961 I962 N963 Y969 V1027 F1031L402-L965 HydrophobicContact CD2-CD1 4.03Å; L402-L965 HydrophobicContact CD2-CG 4.39Å; F405-L965 HydrophobicContact CB-CD2 3.56Å; F405-L965 HydrophobicContact CD2-CD1 4.47Å; F405-L965 HydrophobicContact CG-CD1 4.48Å; F405-L965 HydrophobicContact CG-CD2 4.28Å; A961-L965 WeakPolarHBondContact O-CG 3.48Å; A961-L965 PolarHBondContact O-N 3.43Å; A961-L965 VanDerWaalsContact O-N 3.12Å; I962-L965 PolarHBondContact O-N 3.01Å; N963-L965 VanDerWaalsContact C-N 3.33Å; N963-L965 PolarHBondContact O-N 3.28Å; L965-Y969 WeakPolarHBondContact O-CB 3.46Å; L965-Y969 PolarHBondContact O-N 3.38Å; L965-V1027 HydrophobicContact CD1-CG1 4.27Å; L965-F1031 HydrophobicContact CB-CD2 3.48Å; L965-F1031 VanDerWaalsContact CB-CD2 3.48Å; L965-F1031 HydrophobicContact CB-CE2 3.65Å; L965-F1031 HydrophobicContact CB-CG 4.22Å; L965-F1031 HydrophobicContact CB-CZ 4.49Å; L965-F1031 HydrophobicContact CD1-CB 4.08Å; L965-F1031 HydrophobicContact CD1-CD1 4.32Å; L965-F1031 HydrophobicContact CD1-CD2 3.99Å; L965-F1031 HydrophobicContact CD1-CG 3.84Å; L965-F1031 HydrophobicContact CG-CD2 4.34Å
966I89.9Confident86.7Confident4 Ų410.3 Ų10.32%0.0216%0.055CC..Hα-helixtrans-61.3-46.9174-70.1163.3000110I962 N963 Y969 S970 H1034 M1079I962-I966 HydrophobicContact CG2-CD1 3.7Å; I962-I966 HydrophobicContact CG2-CG1 4.34Å; I962-I966 VanDerWaalsContact O-CG1 3.3Å; I962-I966 WeakPolarHBondContact O-CG1 3.48Å; I962-I966 PolarHBondContact O-N 3.13Å; N963-I966 PolarHBondContact O-N 2.79Å; I966-Y969 PolarHBondContact O-N 3.41Å; I966-S970 VanDerWaalsContact O-CB 3.22Å; I966-S970 WeakPolarHBondContact O-CB 3.27Å; I966-S970 PolarHBondContact O-N 2.69Å; I966-S970 PolarHBondContact O-OG 3.11Å; I966-S970 VanDerWaalsContact O-OG 3.09Å; I966-H1034 HydrophobicContact CD1-CB 4.4Å; I966-H1034 HydrophobicContact CG1-CB 4.24Å; I966-M1079 HydrophobicContact CD1-CB 3.79Å; I966-M1079 HydrophobicContact CG2-CE 3.7Å
967I85.9Confident86.2Confident57 Ų5714.1 Ų14.129%0.2927%0.071SC..Hα-helixtrans-59.7-53.4178-69.8165.3000109.7N963 A964 Y969 S970 S971N963-I967 WeakPolarHBondContact O-CB 3.47Å; N963-I967 VanDerWaalsContact O-CG1 3.24Å; N963-I967 WeakPolarHBondContact O-CG1 3.39Å; N963-I967 PolarHBondContact O-N 3.38Å; A964-I967 PolarHBondContact O-N 3.39Å; I967-Y969 VanDerWaalsContact C-N 3.29Å; I967-Y969 PolarHBondContact O-N 3.22Å; I967-S970 WeakPolarHBondContact CA-OG 3.07Å; I967-S970 PolarHBondContact O-N 2.66Å; I967-S970 PolarHBondContact O-OG 2.83Å; I967-S971 PolarHBondContact O-N 3.4Å; I967-S971 PolarHBondContact O-OG 3.42Å
968A86.4Confident85.4Confident3 Ų314.8 Ų14.83%0.0258%0.083CC..Hα-helixtrans-53-45.2-179.900000112.5I435 S438 V439 A964 S972I435-A968 HydrophobicContact CG2-CB 4.3Å; S438-A968 WeakPolarHBondContact OG-CB 3.32Å; V439-A968 HydrophobicContact CG2-CB 4.38Å; A964-A968 VanDerWaalsContact O-CB 3.32Å; A964-A968 WeakPolarHBondContact O-CB 3.42Å; A964-A968 PolarHBondContact O-N 3.19Å; A968-S972 PolarHBondContact O-N 2.98Å; A968-S972 VanDerWaalsContact O-N 3.11Å; A968-S972 PolarHBondContact O-OG 3.44Å
969Y87.3Confident84.6Confident22 Ų2217 Ų179%0.0869%0.092CC..Hα-helixtrans-76.7-38.9179.6-174.7-118.1000113.2L965 I966 I967 S971 S972 V973 F1035 L1038L965-Y969 WeakPolarHBondContact O-CB 3.46Å; L965-Y969 PolarHBondContact O-N 3.38Å; I966-Y969 PolarHBondContact O-N 3.41Å; I967-Y969 VanDerWaalsContact C-N 3.29Å; I967-Y969 PolarHBondContact O-N 3.22Å; Y969-S971 VanDerWaalsContact C-N 3.3Å; Y969-S971 PolarHBondContact O-N 3.15Å; Y969-S972 WeakPolarHBondContact O-CB 3.39Å; Y969-S972 PolarHBondContact O-N 2.87Å; Y969-S972 VanDerWaalsContact O-N 3.13Å; Y969-V973 HydrophobicContact CD1-CG2 4.45Å; Y969-V973 HydrophobicContact CD2-CG2 4.38Å; Y969-V973 HydrophobicContact CE1-CG2 3.93Å; Y969-V973 HydrophobicContact CE2-CG2 3.85Å; Y969-V973 PolarHBondContact O-N 3.28Å; Y969-F1035 AromaticContact CD1-CD2 3.55Å; Y969-F1035 HydrophobicContact CD1-CD2 3.55Å; Y969-F1035 AromaticContact CD1-CE2 3.92Å; Y969-F1035 HydrophobicContact CD1-CE2 3.92Å; Y969-F1035 HydrophobicContact CD1-CG 4.48Å; Y969-F1035 AromaticContact CD2-CD2 3.99Å; Y969-F1035 HydrophobicContact CD2-CD2 3.99Å; Y969-F1035 AromaticContact CD2-CE2 3.63Å; Y969-F1035 HydrophobicContact CD2-CE2 3.63Å; Y969-F1035 AromaticContact CE1-CD2 3.43Å; Y969-F1035 HydrophobicContact CE1-CD2 3.43Å; Y969-F1035 VanDerWaalsContact CE1-CD2 3.43Å; Y969-F1035 AromaticContact CE1-CE2 3.54Å; Y969-F1035 HydrophobicContact CE1-CE2 3.54Å; Y969-F1035 HydrophobicContact CE1-CG 4.21Å; Y969-F1035 HydrophobicContact CE1-CZ 4.34Å; Y969-F1035 AromaticContact CE2-CD2 3.89Å; Y969-F1035 HydrophobicContact CE2-CD2 3.89Å; Y969-F1035 AromaticContact CE2-CE2 3.2Å; Y969-F1035 HydrophobicContact CE2-CE2 3.2Å; Y969-F1035 AromaticContact CE2-CZ 3.99Å; Y969-F1035 HydrophobicContact CE2-CZ 3.99Å; Y969-F1035 AromaticContact CG-CD2 3.85Å; Y969-F1035 HydrophobicContact CG-CD2 3.85Å; Y969-F1035 AromaticContact CG-CE2 3.99Å; Y969-F1035 HydrophobicContact CG-CE2 3.99Å; Y969-F1035 AromaticContact CZ-CD2 3.62Å; Y969-F1035 AromaticContact CZ-CE2 3.15Å; Y969-F1035 AromaticContact CZ-CZ 3.75Å; Y969-L1038 HydrophobicContact CD1-CB 4.47Å; Y969-L1038 HydrophobicContact CD1-CD2 3.32Å; Y969-L1038 HydrophobicContact CD1-CG 4.05Å; Y969-L1038 HydrophobicContact CE1-CB 4.22Å; Y969-L1038 HydrophobicContact CE1-CD2 3.66Å; Y969-L1038 HydrophobicContact CE1-CG 3.86Å; Y969-L1038 HydrophobicContact CG-CD2 4.36Å
970S86.7Confident83.7Confident0 Ų019.1 Ų19.10%010%0.102CC..Hα-helixtrans-59.6-41.8175.268.60000111.7I966 I967 V973 L974I966-S970 VanDerWaalsContact O-CB 3.22Å; I966-S970 WeakPolarHBondContact O-CB 3.27Å; I966-S970 PolarHBondContact O-N 2.69Å; I966-S970 PolarHBondContact O-OG 3.11Å; I966-S970 VanDerWaalsContact O-OG 3.09Å; I967-S970 WeakPolarHBondContact CA-OG 3.07Å; I967-S970 PolarHBondContact O-N 2.66Å; I967-S970 PolarHBondContact O-OG 2.83Å; S970-V973 PolarHBondContact O-N 2.85Å; S970-L974 WeakPolarHBondContact O-CG 3.44Å; S970-L974 PolarHBondContact O-N 2.99Å; S970-L974 VanDerWaalsContact O-N 3.12Å
971S81.5Confident82.9Confident36 Ų3620.4 Ų20.425%0.25211%0.108SC..Hα-helixtrans-64.5-42.9173.2-60.70000111.7I967 Y969 V973 L974 Y975I967-S971 PolarHBondContact O-N 3.4Å; I967-S971 PolarHBondContact O-OG 3.42Å; Y969-S971 VanDerWaalsContact C-N 3.3Å; Y969-S971 PolarHBondContact O-N 3.15Å; S971-V973 VanDerWaalsContact C-N 3.35Å; S971-V973 PolarHBondContact O-N 3.29Å; S971-L974 PolarHBondContact O-N 2.95Å; S971-Y975 VanDerWaalsContact O-CB 3.25Å; S971-Y975 WeakPolarHBondContact O-CB 3.17Å; S971-Y975 PolarHBondContact O-N 3.33Å
972S84Confident82.2Confident1 Ų120.7 Ų20.71%0.00711%0.11CC..Hα-helixtrans-56.5-45.8177.1-60.70000112.3I435 A968 Y969 L976I435-S972 WeakPolarHBondContact CD1-OG 3.5Å; A968-S972 PolarHBondContact O-N 2.98Å; A968-S972 VanDerWaalsContact O-N 3.11Å; A968-S972 PolarHBondContact O-OG 3.44Å; Y969-S972 WeakPolarHBondContact O-CB 3.39Å; Y969-S972 PolarHBondContact O-N 2.87Å; Y969-S972 VanDerWaalsContact O-N 3.13Å; S972-L976 WeakPolarHBondContact O-CB 3.48Å; S972-L976 VanDerWaalsContact O-CG 3.3Å; S972-L976 WeakPolarHBondContact O-CG 3.5Å; S972-L976 PolarHBondContact O-N 3.29Å
973V82.9Confident81.4Confident13 Ų1323.3 Ų23.38%0.07912%0.124CC..Hα-helixtrans-68.1-45.4179.8175.20000111.5Y969 S970 S971 L976 K977 T1042Y969-V973 HydrophobicContact CD1-CG2 4.45Å; Y969-V973 HydrophobicContact CD2-CG2 4.38Å; Y969-V973 HydrophobicContact CE1-CG2 3.93Å; Y969-V973 HydrophobicContact CE2-CG2 3.85Å; Y969-V973 PolarHBondContact O-N 3.28Å; S970-V973 PolarHBondContact O-N 2.85Å; S971-V973 VanDerWaalsContact C-N 3.35Å; S971-V973 PolarHBondContact O-N 3.29Å; V973-L976 PolarHBondContact O-N 3.49Å; V973-K977 WeakPolarHBondContact O-CG 3.45Å; V973-K977 PolarHBondContact O-N 2.82Å; V973-T1042 HydrophobicContact CG1-CG2 3.67Å
974L81.5Confident81Confident4 Ų426 Ų262%0.02114%0.141CC..Hα-helixtrans-63.3-43.9179.7-73.6170.5000111.4S970 S971 K977 G978 F979 I981 L1068 V1072S970-L974 WeakPolarHBondContact O-CG 3.44Å; S970-L974 PolarHBondContact O-N 2.99Å; S970-L974 VanDerWaalsContact O-N 3.12Å; S971-L974 PolarHBondContact O-N 2.95Å; L974-K977 CarbonylContact O-C 3.55Å; L974-K977 PolarHBondContact O-N 2.63Å; L974-G978 PolarHBondContact O-N 3.04Å; L974-F979 CarbonylContact C-O 3.4Å; L974-F979 WeakPolarHBondContact CB-O 3.29Å; L974-F979 HydrophobicContact CD2-CB 3.93Å; L974-F979 PolarHBondContact O-N 3.24Å; L974-I981 HydrophobicContact CD1-CD1 3.67Å; L974-I981 HydrophobicContact CD1-CG1 3.34Å; L974-L1068 HydrophobicContact CD2-CG 4.44Å; L974-V1072 HydrophobicContact CD1-CB 4.29Å; L974-V1072 HydrophobicContact CD1-CG1 3.71Å; L974-V1072 HydrophobicContact CD2-CB 4.03Å; L974-V1072 HydrophobicContact CD2-CG1 4.24Å; L974-V1072 HydrophobicContact CD2-CG2 4.04Å; L974-V1072 HydrophobicContact CG-CB 4.24Å; L974-V1072 HydrophobicContact CG-CG1 3.88Å; L974-V1072 HydrophobicContact CG-CG2 4.37Å
975Y79.1Confident80.7Confident20 Ų2025.8 Ų25.88%0.07814%0.139CC..Hα-helixtrans-62.8-46.9177.9-177.7-91.7000112.3V413 K427 L428 E431 S971 K977 G978 L1059V413-Y975 HydrophobicContact CG1-CD1 4.07Å; V413-Y975 HydrophobicContact CG1-CE1 4.39Å; K427-Y975 VanDerWaalsContact C-OH 3.3Å; K427-Y975 HydrophobicContact CG-CE2 4.29Å; K427-Y975 PolarHBondContact O-OH 3.02Å; L428-Y975 VanDerWaalsContact CA-OH 3.27Å; L428-Y975 WeakPolarHBondContact CA-OH 3.42Å; L428-Y975 HydrophobicContact CD1-CE1 3.7Å; L428-Y975 PolarHBondContact N-OH 3.22Å; E431-Y975 HydrophobicContact CB-CD1 4.38Å; E431-Y975 HydrophobicContact CB-CD2 4Å; E431-Y975 HydrophobicContact CB-CE1 4.19Å; E431-Y975 HydrophobicContact CB-CE2 3.76Å; E431-Y975 HydrophobicContact CB-CG 4.3Å; E431-Y975 HydrophobicContact CG-CD1 3.87Å; E431-Y975 HydrophobicContact CG-CD2 3.55Å; E431-Y975 HydrophobicContact CG-CE1 4.2Å; E431-Y975 HydrophobicContact CG-CE2 3.88Å; E431-Y975 HydrophobicContact CG-CG 3.55Å; S971-Y975 VanDerWaalsContact O-CB 3.25Å; S971-Y975 WeakPolarHBondContact O-CB 3.17Å; S971-Y975 PolarHBondContact O-N 3.33Å; Y975-K977 PolarHBondContact O-N 3.24Å; Y975-K977 VanDerWaalsContact O-N 3.11Å; Y975-G978 PolarHBondContact O-N 3.47Å; Y975-L1059 HydrophobicContact CE2-CD2 3.79Å
976L76.6Confident80.2Confident15 Ų1527 Ų278%0.07915%0.15CC..Hα-helixtrans-58.6-27.1178.2-77.8175.9000112.7Y412 V413 E416 R423 S972 V973Y412-L976 HydrophobicContact CD1-CD1 4.03Å; Y412-L976 HydrophobicContact CE1-CD1 3.43Å; Y412-L976 VanDerWaalsContact CE1-CD1 3.43Å; V413-L976 HydrophobicContact CG1-CD2 4.27Å; V413-L976 HydrophobicContact CG2-CD1 4.27Å; V413-L976 HydrophobicContact CG2-CG 4.31Å; E416-L976 HydrophobicContact CB-CD1 4.46Å; E416-L976 HydrophobicContact CB-CD2 3.86Å; E416-L976 HydrophobicContact CG-CD1 4.44Å; E416-L976 HydrophobicContact CG-CD2 3.97Å; R423-L976 PolarHBondContact NH2-O 3.19Å; S972-L976 WeakPolarHBondContact O-CB 3.48Å; S972-L976 VanDerWaalsContact O-CG 3.3Å; S972-L976 WeakPolarHBondContact O-CG 3.5Å; S972-L976 PolarHBondContact O-N 3.29Å; V973-L976 PolarHBondContact O-N 3.49Å
977K76.3Confident79.7Confident81 Ų8129.8 Ų29.835%0.35217%0.167SC..THydrogen-bonded Turntrans-99.10.3178.9-59.8-63.3-177.2165.60113.9V973 L974 Y975 F979 E1046 L1068V973-K977 WeakPolarHBondContact O-CG 3.45Å; V973-K977 PolarHBondContact O-N 2.82Å; L974-K977 CarbonylContact O-C 3.55Å; L974-K977 PolarHBondContact O-N 2.63Å; Y975-K977 PolarHBondContact O-N 3.24Å; Y975-K977 VanDerWaalsContact O-N 3.11Å; K977-F979 HydrophobicContact CB-CD2 3.83Å; K977-F979 HydrophobicContact CB-CE2 4.13Å; K977-F979 WeakPolarHBondContact O-CD2 3.37Å; K977-F979 WeakPolarHBondContact O-CE2 3.45Å; K977-E1046 WeakPolarHBondContact CE-OE1 3.32Å; K977-E1046 IonicContact NZ-OE1 2.78Å; K977-E1046 PolarHBondContact NZ-OE1 2.78Å; K977-E1046 IonicContact NZ-OE2 3.22Å; K977-E1046 PolarHBondContact NZ-OE2 3.32Å; K977-L1068 HydrophobicContact CB-CD2 3.74Å; K977-L1068 HydrophobicContact CG-CD2 3.84Å
978G71.6Confident79.6Confident29 Ų2931 Ų3130%0.29917%0.173SC..THydrogen-bonded Turntrans78.816.7177.700000115.9L974 Y975L974-G978 PolarHBondContact O-N 3.04Å; Y975-G978 PolarHBondContact O-N 3.47Å
979F73.7Confident79.3Confident53 Ų5331.7 Ų31.723%0.23218%0.175CC..  trans-102146.8176.5-63.2-76.8000111L974 K977 M1049 S1066 L1068L974-F979 CarbonylContact C-O 3.4Å; L974-F979 WeakPolarHBondContact CB-O 3.29Å; L974-F979 HydrophobicContact CD2-CB 3.93Å; L974-F979 PolarHBondContact O-N 3.24Å; K977-F979 HydrophobicContact CB-CD2 3.83Å; K977-F979 HydrophobicContact CB-CE2 4.13Å; K977-F979 WeakPolarHBondContact O-CD2 3.37Å; K977-F979 WeakPolarHBondContact O-CE2 3.45Å; F979-M1049 HydrophobicContact CE1-CE 4.41Å; F979-M1049 HydrophobicContact CE2-CE 3.55Å; F979-M1049 HydrophobicContact CZ-CE 3.34Å; F979-S1066 WeakPolarHBondContact CD1-OG 3.33Å; F979-S1066 WeakPolarHBondContact CE1-OG 3.48Å; F979-L1068 HydrophobicContact CD2-CD2 3.77Å; F979-L1068 HydrophobicContact CE2-CD2 4.09Å
980K71.7Confident78.9Confident47 Ų4732 Ų3220%0.20418%0.182CC..  trans-112.4151.2175.7-79.8-174.9174.1-155.50109.2E212 Y213 F1063 N1069E212-K980 IonicContact OE2-NZ 3.21Å; E212-K980 PolarHBondContact OE2-NZ 2.72Å; Y213-K980 WeakPolarHBondContact OH-CB 3.2Å; Y213-K980 VanDerWaalsContact OH-CD 3.31Å; Y213-K980 WeakPolarHBondContact OH-CD 3.24Å; Y213-K980 VanDerWaalsContact OH-CG 3.25Å; Y213-K980 WeakPolarHBondContact OH-CG 3.29Å; K980-F1063 HydrophobicContact CB-CD2 4.48Å; K980-F1063 WeakPolarHBondContact O-CD2 3.27Å; K980-F1063 WeakPolarHBondContact O-CE2 3.4Å; K980-N1069 PolarHBondContact O-OD1 3.35Å
981I73.6Confident78.7Confident31 Ų3137.8 Ų37.816%0.15921%0.212CC..  trans-82.4143.3167.3-60.5-178.7000107.6Y213 L974 Q985 A986Y213-I981 PolarHBondContact OH-O 3.37Å; L974-I981 HydrophobicContact CD1-CD1 3.67Å; L974-I981 HydrophobicContact CD1-CG1 3.34Å; I981-Q985 HydrophobicContact CG2-CB 3.71Å; I981-A986 HydrophobicContact CG2-CB 4.45Å
982S76Confident78.7Confident6 Ų638.5 Ų38.54%0.04221%0.213CC..  trans-74.8150.6175.875.70000112.2T984 Q985 A986S982-T984 PolarHBondContact O-N 2.99Å; S982-T984 PolarHBondContact OG-OG1 2.78Å; S982-T984 VanDerWaalsContact OG-OG1 3.04Å; S982-Q985 WeakPolarHBondContact O-CB 3.46Å; S982-Q985 PolarHBondContact O-N 3.36Å; S982-Q985 VanDerWaalsContact O-N 3.14Å; S982-Q985 VanDerWaalsContact OG-CB 3.31Å; S982-Q985 WeakPolarHBondContact OG-CB 3.41Å; S982-Q985 VanDerWaalsContact OG-CD 3.24Å; S982-Q985 WeakPolarHBondContact OG-CG 3.41Å; S982-Q985 PolarHBondContact OG-N 3.41Å; S982-A986 PolarHBondContact O-N 3.49Å
983D75.3Confident78.6Confident55 Ų5539.1 Ų39.129%0.29422%0.216SC..Hα-helixtrans-57-35.7176-76-31.6000112.4Y213 T987Y213-D983 VanDerWaalsContact CD1-OD1 3.22Å; Y213-D983 WeakPolarHBondContact CD1-OD1 3.36Å; D983-T987 VanDerWaalsContact O-CB 3.32Å; D983-T987 WeakPolarHBondContact O-CB 3.44Å; D983-T987 PolarHBondContact O-N 2.85Å; D983-T987 PolarHBondContact O-OG1 2.84Å
984T81.1Confident78.5Confident61 Ų6141.3 Ų41.337%0.37423%0.232SC..Hα-helixtrans-69.1-41.8178.656.10000111.6S982 T987 I988S982-T984 PolarHBondContact O-N 2.99Å; S982-T984 PolarHBondContact OG-OG1 2.78Å; S982-T984 VanDerWaalsContact OG-OG1 3.04Å; T984-T987 PolarHBondContact O-N 3.45Å; T984-I988 WeakPolarHBondContact O-CG1 3.49Å; T984-I988 PolarHBondContact O-N 2.73Å
985Q83.5Confident78.6Confident0 Ų042.9 Ų42.90%025%0.245CC..Hα-helixtrans-59.9-49.3174.8-78.31686.100111I981 S982 R989 N1069 Y1073 L1126I981-Q985 HydrophobicContact CG2-CB 3.71Å; S982-Q985 WeakPolarHBondContact O-CB 3.46Å; S982-Q985 PolarHBondContact O-N 3.36Å; S982-Q985 VanDerWaalsContact O-N 3.14Å; S982-Q985 VanDerWaalsContact OG-CB 3.31Å; S982-Q985 WeakPolarHBondContact OG-CB 3.41Å; S982-Q985 VanDerWaalsContact OG-CD 3.24Å; S982-Q985 WeakPolarHBondContact OG-CG 3.41Å; S982-Q985 PolarHBondContact OG-N 3.41Å; Q985-R989 WeakPolarHBondContact O-CB 3.17Å; Q985-R989 PolarHBondContact O-N 3.07Å; Q985-R989 VanDerWaalsContact O-N 3.1Å; Q985-N1069 PolarHBondContact NE2-ND2 3.32Å; Q985-N1069 PolarHBondContact OE1-ND2 3.28Å; Q985-N1069 VanDerWaalsContact OE1-ND2 3.11Å; Q985-Y1073 HydrophobicContact CB-CD2 3.72Å; Q985-Y1073 HydrophobicContact CB-CE2 3.49Å; Q985-Y1073 VanDerWaalsContact CB-CE2 3.49Å; Q985-Y1073 HydrophobicContact CB-CG 4.48Å; Q985-Y1073 HydrophobicContact CG-CD1 4.43Å; Q985-Y1073 HydrophobicContact CG-CD2 3.95Å; Q985-Y1073 HydrophobicContact CG-CE1 4.34Å; Q985-Y1073 HydrophobicContact CG-CE2 3.87Å; Q985-Y1073 HydrophobicContact CG-CG 4.23Å; Q985-Y1073 WeakPolarHBondContact O-CE2 3.4Å; Q985-L1126 HydrophobicContact CG-CD2 4.4Å; Q985-L1126 PolarHBondContact NE2-O 3.32Å
986A78.8Confident79Confident30 Ų3042.1 Ų42.125%0.24824%0.243CC..Hα-helixtrans-62.1-43.7178.500000112.2I981 S982 R989 A990I981-A986 HydrophobicContact CG2-CB 4.45Å; S982-A986 PolarHBondContact O-N 3.49Å; A986-R989 PolarHBondContact O-N 2.96Å; A986-A990 WeakPolarHBondContact O-CB 3.45Å; A986-A990 PolarHBondContact O-N 3.36Å
987T80.4Confident79.3Confident61 Ų6141.6 Ų41.637%0.37424%0.24SC..Hα-helixtrans-66-43.7-179.1-57.30000112.5D983 T984 A990 L991D983-T987 VanDerWaalsContact O-CB 3.32Å; D983-T987 WeakPolarHBondContact O-CB 3.44Å; D983-T987 PolarHBondContact O-N 2.85Å; D983-T987 PolarHBondContact O-OG1 2.84Å; T984-T987 PolarHBondContact O-N 3.45Å; T987-A990 PolarHBondContact O-N 2.92Å; T987-L991 WeakPolarHBondContact O-CB 3.45Å; T987-L991 PolarHBondContact O-N 3.26Å
988I83Confident79.7Confident82 Ų8240.7 Ų40.742%0.42124%0.239SC..Hα-helixtrans-66.8-41.5179.1-71.8167.6000110.8T984 L991 L992 L1126T984-I988 WeakPolarHBondContact O-CG1 3.49Å; T984-I988 PolarHBondContact O-N 2.73Å; I988-L991 PolarHBondContact O-N 3.17Å; I988-L992 WeakPolarHBondContact O-CB 3.23Å; I988-L992 PolarHBondContact O-N 2.9Å; I988-L1126 HydrophobicContact CD1-CD2 3.5Å; I988-L1126 VanDerWaalsContact CD1-CD2 3.5Å; I988-L1126 HydrophobicContact CD1-CG 4.39Å
989R81.7Confident80.4Confident18 Ų1842.1 Ų42.17%0.06824%0.237CC..Hα-helixtrans-58.3-49.1174.4-179.6-178.3176175.5-0.4111Q985 A986 L991 L992 L993 Y1073 E1080Q985-R989 WeakPolarHBondContact O-CB 3.17Å; Q985-R989 PolarHBondContact O-N 3.07Å; Q985-R989 VanDerWaalsContact O-N 3.1Å; A986-R989 PolarHBondContact O-N 2.96Å; R989-L991 PolarHBondContact O-N 2.76Å; R989-L992 PolarHBondContact O-N 2.9Å; R989-L993 WeakPolarHBondContact O-CB 3.49Å; R989-L993 PolarHBondContact O-N 3.15Å; R989-Y1073 HydrophobicContact CB-CE2 4.46Å; R989-E1080 VanDerWaalsContact CG-OE2 3.29Å; R989-E1080 WeakPolarHBondContact CG-OE2 3.45Å; R989-E1080 IonicContact CZ-OE1 3.56Å; R989-E1080 IonicContact CZ-OE2 2.64Å; R989-E1080 IonicContact NE-OE1 2.89Å; R989-E1080 PolarHBondContact NE-OE1 2.92Å; R989-E1080 IonicContact NE-OE2 3.64Å; R989-E1080 PolarHBondContact NE-OE2 2.82Å; R989-E1080 IonicContact NH2-OE1 2.83Å; R989-E1080 PolarHBondContact NH2-OE1 3.44Å; R989-E1080 IonicContact NH2-OE2 2.94Å
990A78.8Confident81Confident28 Ų2839.6 Ų39.623%0.23123%0.226CC..Hα-helixtrans-61.8-40.4177.500000112.6A986 T987 S994A986-A990 WeakPolarHBondContact O-CB 3.45Å; A986-A990 PolarHBondContact O-N 3.36Å; T987-A990 PolarHBondContact O-N 2.92Å; A990-S994 VanDerWaalsContact O-CB 3.29Å; A990-S994 WeakPolarHBondContact O-CB 3.38Å; A990-S994 PolarHBondContact O-N 2.85Å; A990-S994 PolarHBondContact O-OG 2.72Å
991L80.8Confident81.5Confident123 Ų12337.8 Ų37.864%0.64422%0.219SC*.Hα-helixtrans-65.6-43.6177.1-177.565.7000112T987 I988 R989 S994 A995T987-L991 WeakPolarHBondContact O-CB 3.45Å; T987-L991 PolarHBondContact O-N 3.26Å; I988-L991 PolarHBondContact O-N 3.17Å; R989-L991 PolarHBondContact O-N 2.76Å; L991-S994 PolarHBondContact O-N 3.46Å; L991-A995 WeakPolarHBondContact O-CB 3.36Å; L991-A995 PolarHBondContact O-N 3.05Å
992L82.8Confident82Confident50 Ų5044 Ų4426%0.26224%0.24SC..Hα-helixtrans-61.8-45.8177.6-178.866.6000111.1I988 R989 A995 C996 T1077 A1110I988-L992 WeakPolarHBondContact O-CB 3.23Å; I988-L992 PolarHBondContact O-N 2.9Å; R989-L992 PolarHBondContact O-N 2.9Å; L992-A995 PolarHBondContact O-N 3.13Å; L992-C996 PolarHBondContact O-N 3.28Å; L992-C996 PolarHBondContact O-SG 2.91Å; L992-T1077 HydrophobicContact CD2-CG2 4.23Å; L992-A1110 HydrophobicContact CD1-CB 4.18Å; L992-A1110 HydrophobicContact CD2-CB 4.08Å
993L82.6Confident82.4Confident15 Ų1544 Ų448%0.07924%0.241CC..Hα-helixtrans-62.4-46.9177.4-174.760.2000111N963 R989 A995 C996 F997 L1084N963-L993 WeakPolarHBondContact ND2-CD1 3.37Å; R989-L993 WeakPolarHBondContact O-CB 3.49Å; R989-L993 PolarHBondContact O-N 3.15Å; L993-A995 VanDerWaalsContact C-N 3.32Å; L993-A995 PolarHBondContact O-N 2.76Å; L993-C996 PolarHBondContact O-N 3.36Å; L993-F997 HydrophobicContact CD1-CD2 3.78Å; L993-F997 HydrophobicContact CD1-CE2 3.32Å; L993-F997 HydrophobicContact CD1-CZ 4.15Å; L993-F997 HydrophobicContact CD2-CE2 4.04Å; L993-F997 HydrophobicContact CG-CD2 3.73Å; L993-F997 HydrophobicContact CG-CE2 3.49Å; L993-F997 VanDerWaalsContact CG-CE2 3.49Å; L993-F997 VanDerWaalsContact O-CD2 3.26Å; L993-F997 WeakPolarHBondContact O-CD2 3.49Å; L993-F997 PolarHBondContact O-N 2.7Å; L993-L1084 HydrophobicContact CD1-CD1 4Å; L993-L1084 HydrophobicContact CD1-CD2 4.39Å
994S80.5Confident82.9Confident58 Ų5847.4 Ų47.441%0.40625%0.253SS..Hα-helixtrans-58.7-41.7176.4-62.20000112.4A990 L991 F997 L998A990-S994 VanDerWaalsContact O-CB 3.29Å; A990-S994 WeakPolarHBondContact O-CB 3.38Å; A990-S994 PolarHBondContact O-N 2.85Å; A990-S994 PolarHBondContact O-OG 2.72Å; L991-S994 PolarHBondContact O-N 3.46Å; S994-F997 PolarHBondContact O-N 2.69Å; S994-L998 WeakPolarHBondContact O-CB 3.4Å; S994-L998 PolarHBondContact O-N 3.24Å
995A83.8Confident83.1Confident37 Ų3746.1 Ų46.131%0.30625%0.246SC..Hα-helixtrans-65-42.7176.900000111.9L991 L992 L993 L998 F999L991-A995 WeakPolarHBondContact O-CB 3.36Å; L991-A995 PolarHBondContact O-N 3.05Å; L992-A995 PolarHBondContact O-N 3.13Å; L993-A995 VanDerWaalsContact C-N 3.32Å; L993-A995 PolarHBondContact O-N 2.76Å; A995-L998 WeakPolarHBondContact O-CB 3.43Å; A995-L998 PolarHBondContact O-N 3.3Å; A995-F999 WeakPolarHBondContact O-CD2 3.44Å; A995-F999 PolarHBondContact O-N 3.36Å
996C85.7Confident83.2Confident5 Ų548.1 Ų48.13%0.03426%0.256CS..Hα-helixtrans-62.5-45.4176.5-67.50000111.5L992 L993 L998 F999 I1000 L1084L992-C996 PolarHBondContact O-N 3.28Å; L992-C996 PolarHBondContact O-SG 2.91Å; L993-C996 PolarHBondContact O-N 3.36Å; C996-L998 VanDerWaalsContact C-N 3.33Å; C996-L998 PolarHBondContact O-N 3Å; C996-F999 PolarHBondContact O-N 3.44Å; C996-F999 VanDerWaalsContact O-N 3.12Å; C996-I1000 WeakPolarHBondContact O-CG1 3.45Å; C996-I1000 PolarHBondContact O-N 3.28Å; C996-L1084 HydrophobicContact CB-CD1 3.96Å; C996-L1084 HydrophobicContact CB-CD2 4.31Å
997F84.4Confident83.3Confident4 Ų456.7 Ų56.72%0.01829%0.288CS..Hα-helixtrans-64.6-35.5177.5-79.6-61.5000113.3E447 M956 I959 L960 L993 S994 F999 I1000 S1001 L1084E447-F997 VanDerWaalsContact CD-CD2 3.48Å; E447-F997 VanDerWaalsContact CD-CG 3.44Å; E447-F997 HydrophobicContact CG-CB 4.13Å; E447-F997 HydrophobicContact CG-CD2 4.47Å; E447-F997 HydrophobicContact CG-CG 4.17Å; E447-F997 WeakPolarHBondContact OE1-CD2 3.14Å; E447-F997 WeakPolarHBondContact OE1-CE2 3.47Å; E447-F997 WeakPolarHBondContact OE1-CG 3.36Å; E447-F997 WeakPolarHBondContact OE2-CD1 3.03Å; E447-F997 VanDerWaalsContact OE2-CE1 3.3Å; E447-F997 WeakPolarHBondContact OE2-CE1 3.43Å; E447-F997 WeakPolarHBondContact OE2-CZ 3.41Å; M956-F997 HydrophobicContact CB-CE1 4.36Å; M956-F997 HydrophobicContact CE-CD1 4.37Å; M956-F997 HydrophobicContact CG-CD1 3.99Å; M956-F997 HydrophobicContact CG-CE1 3.99Å; I959-F997 HydrophobicContact CB-CE1 4.16Å; I959-F997 HydrophobicContact CB-CZ 4.02Å; I959-F997 HydrophobicContact CD1-CE1 4.3Å; I959-F997 HydrophobicContact CG2-CE1 3.94Å; I959-F997 HydrophobicContact CG2-CE2 4.43Å; I959-F997 HydrophobicContact CG2-CZ 3.47Å; I959-F997 VanDerWaalsContact CG2-CZ 3.47Å; L960-F997 HydrophobicContact CD2-CE2 3.78Å; L960-F997 HydrophobicContact CD2-CZ 3.78Å; L960-F997 HydrophobicContact CG-CE2 4.36Å; L960-F997 HydrophobicContact CG-CZ 3.86Å; L993-F997 HydrophobicContact CD1-CD2 3.78Å; L993-F997 HydrophobicContact CD1-CE2 3.32Å; L993-F997 HydrophobicContact CD1-CZ 4.15Å; L993-F997 HydrophobicContact CD2-CE2 4.04Å; L993-F997 HydrophobicContact CG-CD2 3.73Å; L993-F997 HydrophobicContact CG-CE2 3.49Å; L993-F997 VanDerWaalsContact CG-CE2 3.49Å; L993-F997 VanDerWaalsContact O-CD2 3.26Å; L993-F997 WeakPolarHBondContact O-CD2 3.49Å; L993-F997 PolarHBondContact O-N 2.7Å; S994-F997 PolarHBondContact O-N 2.69Å; F997-F999 VanDerWaalsContact C-N 3.29Å; F997-F999 PolarHBondContact O-N 3.27Å; F997-I1000 HydrophobicContact CD1-CD1 4.06Å; F997-I1000 HydrophobicContact CE1-CD1 4.43Å; F997-I1000 PolarHBondContact O-N 3.03Å; F997-S1001 WeakPolarHBondContact O-CB 3.45Å; F997-S1001 PolarHBondContact O-N 3.39Å; F997-L1084 HydrophobicContact CE1-CD2 4.47Å
998L83.8Confident83.3Confident62 Ų6257.4 Ų57.433%0.32530%0.3SS..Hα-helixtrans-57.7-43.6171.8-173.7155.3000111S994 A995 C996 S1001 R1002S994-L998 WeakPolarHBondContact O-CB 3.4Å; S994-L998 PolarHBondContact O-N 3.24Å; A995-L998 WeakPolarHBondContact O-CB 3.43Å; A995-L998 PolarHBondContact O-N 3.3Å; C996-L998 VanDerWaalsContact C-N 3.33Å; C996-L998 PolarHBondContact O-N 3Å; L998-S1001 PolarHBondContact O-N 2.9Å; L998-S1001 PolarHBondContact O-OG 3.19Å; L998-R1002 PolarHBondContact O-N 3.07Å
999F86.4Confident83.4Confident59 Ų5954.3 Ų54.326%0.25928%0.284SS..Hα-helixtrans-72.9-35.3177.1-62.9-54.7000113.4A995 C996 F997 S1001 R1002 P1102 M1103A995-F999 WeakPolarHBondContact O-CD2 3.44Å; A995-F999 PolarHBondContact O-N 3.36Å; C996-F999 PolarHBondContact O-N 3.44Å; C996-F999 VanDerWaalsContact O-N 3.12Å; F997-F999 VanDerWaalsContact C-N 3.29Å; F997-F999 PolarHBondContact O-N 3.27Å; F999-S1001 VanDerWaalsContact C-N 3.31Å; F999-S1001 PolarHBondContact O-N 3.14Å; F999-R1002 PolarHBondContact O-N 2.9Å; F999-P1102 HydrophobicContact CD1-CB 3.59Å; F999-P1102 HydrophobicContact CE1-CB 3.94Å; F999-P1102 HydrophobicContact CG-CB 4.15Å; F999-M1103 HydrophobicContact CB-CB 4.13Å
1000I86.1Confident83.4Confident0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-60.4-43.9172.4-68.6169000110.1T952 Q955 M956 I959 C996 F997 R1002 S1003 L1084 M1103T952-I1000 HydrophobicContact CG2-CG2 4.1Å; Q955-I1000 VanDerWaalsContact NE2-CG2 3.31Å; M956-I1000 HydrophobicContact CE-CB 4.45Å; M956-I1000 HydrophobicContact CE-CG2 4.04Å; M956-I1000 HydrophobicContact CG-CG2 4.47Å; I959-I1000 HydrophobicContact CD1-CD1 4.25Å; C996-I1000 WeakPolarHBondContact O-CG1 3.45Å; C996-I1000 PolarHBondContact O-N 3.28Å; F997-I1000 HydrophobicContact CD1-CD1 4.06Å; F997-I1000 HydrophobicContact CE1-CD1 4.43Å; F997-I1000 PolarHBondContact O-N 3.03Å; I1000-R1002 PolarHBondContact O-N 3.19Å; I1000-S1003 WeakPolarHBondContact O-CB 3.25Å; I1000-S1003 PolarHBondContact O-N 2.98Å; I1000-S1003 PolarHBondContact O-OG 2.91Å; I1000-L1084 HydrophobicContact CD1-CD2 3.61Å; I1000-M1103 HydrophobicContact CG1-CG 4.41Å
1001S83.1Confident83.6Confident9 Ų959 Ų596%0.06330%0.302CS..Hα-helixtrans-62.5-24178.282.30000113.5S454 F997 L998 F999S454-S1001 WeakPolarHBondContact CB-O 3.45Å; S454-S1001 PolarHBondContact OG-O 2.81Å; F997-S1001 WeakPolarHBondContact O-CB 3.45Å; F997-S1001 PolarHBondContact O-N 3.39Å; L998-S1001 PolarHBondContact O-N 2.9Å; L998-S1001 PolarHBondContact O-OG 3.19Å; F999-S1001 VanDerWaalsContact C-N 3.31Å; F999-S1001 PolarHBondContact O-N 3.14Å
1002R83.9Confident83.7Confident160 Ų16058.1 Ų58.160%0.60430%0.295SS*.THydrogen-bonded Turntrans-94.89.9179.8-72.1-178169.9-176.8-4.1114.2L998 F999 I1000L998-R1002 PolarHBondContact O-N 3.07Å; F999-R1002 PolarHBondContact O-N 2.9Å; I1000-R1002 PolarHBondContact O-N 3.19Å
1003S83.6Confident83.8Confident7 Ų757.5 Ų57.55%0.04929%0.289CS..PPolyproline II helixtrans-61.1139.6175.3-57.70000111.1I1000 Y1088 N1100I1000-S1003 WeakPolarHBondContact O-CB 3.25Å; I1000-S1003 PolarHBondContact O-N 2.98Å; I1000-S1003 PolarHBondContact O-OG 2.91Å; S1003-Y1088 PolarHBondContact OG-OH 3.3Å; S1003-N1100 PolarHBondContact OG-ND2 2.91Å
1004K86Confident83.9Confident126 Ų12657.2 Ų57.255%0.54829%0.288SS..PPolyproline II helixtrans-94.2148.4-177.5-66.8175.6-178.1171.20111.9M1094 E1095K1004-M1094 WeakPolarHBondContact O-CA 3.44Å; K1004-E1095 HydrophobicContact CB-CG 4.27Å; K1004-E1095 PolarHBondContact O-N 3.4Å; K1004-E1095 VanDerWaalsContact O-N 3.14Å
1005P86.6Confident84.1Confident35 Ų3555.5 Ų55.523%0.22727%0.274CS..BIsolated β-bridgetrans-72.9156171.534-38.1000111.3Q945 C948Q945-P1005 VanDerWaalsContact OE1-CG 3.3Å; C948-P1005 HydrophobicContact CB-CB 3.89Å
1006L84Confident84Confident41 Ų4155.7 Ų55.722%0.21527%0.272CS..PPolyproline II helixtrans-71156.1168.5-62.7179000111.5A1008 H1091 P1092 F1093L1006-A1008 VanDerWaalsContact C-N 3.34Å; L1006-A1008 PolarHBondContact O-N 2.92Å; L1006-H1091 VanDerWaalsContact CD1-ND1 3.31Å; L1006-H1091 WeakPolarHBondContact CD1-ND1 3.29Å; L1006-P1092 VanDerWaalsContact CD1-O 3.29Å; L1006-P1092 WeakPolarHBondContact CD1-O 3.42Å; L1006-F1093 PolarHBondContact N-O 3.21Å
1007K81Confident83.9Confident210 Ų21058.7 Ų58.791%0.91329%0.288SS*.SBendtrans-74-20.7-177.9-66.2-177.5179.3178.90114.5
1008A81.7Confident83.8Confident76 Ų7659.1 Ų59.163%0.62829%0.29SS*.SBendtrans-117.5143.7-176.200000110.5L1006 S1010L1006-A1008 VanDerWaalsContact C-N 3.34Å; L1006-A1008 PolarHBondContact O-N 2.92Å; A1008-S1010 PolarHBondContact O-N 3.22Å
1009L83.4Confident83.7Confident17 Ų1760.2 Ų60.29%0.08929%0.292CS..  trans-77.3121.4-179.5-167.862.5000110.4L690 S693 I943 M944L690-L1009 HydrophobicContact CD2-CD2 4.2Å; S693-L1009 WeakPolarHBondContact OG-CD2 3.34Å; I943-L1009 HydrophobicContact CB-CD1 4.41Å; I943-L1009 HydrophobicContact CG2-CD1 3.69Å; M944-L1009 HydrophobicContact CG-CB 4.37Å; M944-L1009 HydrophobicContact CG-CD1 3.74Å
1010S83.1Confident83.7Confident17 Ų1759.7 Ų59.712%0.11929%0.292CS..  trans-70.2150.2-18062.90000112.4S693 R947 A1008 E1012 F1093S693-S1010 WeakPolarHBondContact CB-O 3.24Å; R947-S1010 PolarHBondContact NH1-O 2.69Å; R947-S1010 PolarHBondContact NH1-OG 3.23Å; A1008-S1010 PolarHBondContact O-N 3.22Å; S1010-E1012 VanDerWaalsContact C-N 3.34Å; S1010-E1012 PolarHBondContact OG-O 3.37Å; S1010-E1012 VanDerWaalsContact OG-O 3.12Å; S1010-F1093 WeakPolarHBondContact OG-CD1 3.48Å; S1010-F1093 WeakPolarHBondContact OG-CE1 2.99Å
1011K82.5Confident83.7Confident127 Ų12763.4 Ų63.455%0.55232%0.315SS*.SBendtrans-69.8-33.9170.6-175.3172.1-178.2177.90112.3Y692Y692-K1011 HydrophobicContact CE1-CB 3.99Å; Y692-K1011 HydrophobicContact CE2-CD 4.41Å
1012E82.7Confident84Confident106 Ų10663.5 Ų63.550%0.49531%0.314SS..SBendtrans-73.9145.6-179.6-61-171.816400111.6R947 S1010 P1092 F1093R947-E1012 PolarHBondContact NH1-O 3.22Å; S1010-E1012 VanDerWaalsContact C-N 3.34Å; S1010-E1012 PolarHBondContact OG-O 3.37Å; S1010-E1012 VanDerWaalsContact OG-O 3.12Å; E1012-P1092 HydrophobicContact CB-CG 4.27Å; E1012-F1093 HydrophobicContact CB-CZ 4.32Å; E1012-F1093 WeakPolarHBondContact O-CE1 3.42Å; E1012-F1093 WeakPolarHBondContact O-CZ 3.31Å
1013R84.7Confident84.3Confident36 Ų3656.2 Ų56.214%0.13629%0.287CS..PPolyproline II helixtrans-98.7138.2175.6-69.7-178.8169.6-149.30.1110.2D479 S694 V1164D479-R1013 IonicContact OD1-CZ 2.71Å; D479-R1013 IonicContact OD1-NH1 2.64Å; D479-R1013 PolarHBondContact OD1-NH1 2.82Å; S694-R1013 PolarHBondContact O-NH2 3.24Å; R1013-V1164 HydrophobicContact CB-CB 4.44Å
1014P85.6Confident84.6Confident9 Ų957.3 Ų57.36%0.05829%0.292CS..PPolyproline II helixtrans-69.1159.1173.531.8-35.7000110.5G476 R947 L950 V951 P1016 F1093G476-P1014 VanDerWaalsContact O-CG 3.26Å; G476-P1014 WeakPolarHBondContact O-CG 3.45Å; R947-P1014 HydrophobicContact CB-CG 4.42Å; R947-P1014 HydrophobicContact CG-CG 4.05Å; L950-P1014 HydrophobicContact CD2-CB 4.2Å; L950-P1014 HydrophobicContact CD2-CG 3.85Å; V951-P1014 HydrophobicContact CG2-CB 3.84Å; P1014-P1016 WeakPolarHBondContact O-CD 3.24Å; P1014-F1093 HydrophobicContact CB-CD2 4.48Å; P1014-F1093 HydrophobicContact CB-CE1 4.34Å; P1014-F1093 HydrophobicContact CB-CE2 4.04Å; P1014-F1093 HydrophobicContact CB-CZ 3.97Å; P1014-F1093 HydrophobicContact CG-CE1 4.39Å; P1014-F1093 HydrophobicContact CG-CZ 4.42Å
1015I84.6Confident84.9Confident22 Ų2254.4 Ų54.411%0.11328%0.282CS..PPolyproline II helixtrans-63.4125.8172.9-61.2172.6000108.1L954 N1017 N1020 Y1022 V1164L954-I1015 HydrophobicContact CD1-CB 4.33Å; L954-I1015 WeakPolarHBondContact CD1-O 2.98Å; I1015-N1017 WeakPolarHBondContact CG2-O 3.1Å; I1015-N1020 HydrophobicContact CG2-CB 4.17Å; I1015-N1020 VanDerWaalsContact CG2-ND2 3.34Å; I1015-N1020 WeakPolarHBondContact CG2-ND2 3.09Å; I1015-Y1022 HydrophobicContact CD1-CD1 3.32Å; I1015-Y1022 HydrophobicContact CD1-CE1 3.92Å; I1015-Y1022 HydrophobicContact CD1-CG 4.03Å; I1015-V1164 HydrophobicContact CG1-CG2 4.09Å
1016P81.1Confident85.2Confident42 Ų4252.7 Ų52.727%0.27327%0.272SS..  trans-79.9-31.2-175.129.1-34.1000112.8K477 P1014K477-P1016 HydrophobicContact CB-CB 4.46Å; K477-P1016 HydrophobicContact CD-CB 4.11Å; K477-P1016 WeakPolarHBondContact CD-O 3.44Å; K477-P1016 WeakPolarHBondContact CE-O 3.45Å; K477-P1016 HydrophobicContact CG-CB 4.18Å; K477-P1016 PolarHBondContact NZ-O 3.32Å; P1014-P1016 WeakPolarHBondContact O-CD 3.24Å
1017N83.8Confident85.6Confident68 Ų6850.8 Ų50.836%0.36426%0.261SS..  trans-115.1143.2-168.1-61.9-2.8000111.4I1015I1015-N1017 WeakPolarHBondContact CG2-O 3.1Å
1018I82Confident86.1Confident13 Ų1341.9 Ų41.97%0.06723%0.226CC..SBendtrans-69.1-40.8175.1-57.1155.9000109.6E394 F398 L954 Y957 N1020 T1023E394-I1018 PolarHBondContact OE2-N 2.82Å; F398-I1018 HydrophobicContact CB-CG2 4.3Å; F398-I1018 HydrophobicContact CD1-CG2 4.33Å; F398-I1018 HydrophobicContact CD2-CG2 4.14Å; F398-I1018 HydrophobicContact CG-CG2 4.01Å; L954-I1018 HydrophobicContact CD2-CB 4.11Å; L954-I1018 HydrophobicContact CD2-CG1 3.62Å; Y957-I1018 HydrophobicContact CD1-CG2 4.41Å; Y957-I1018 HydrophobicContact CD2-CD1 3.83Å; Y957-I1018 HydrophobicContact CD2-CG1 3.95Å; Y957-I1018 HydrophobicContact CD2-CG2 4.42Å; Y957-I1018 HydrophobicContact CE1-CD1 4.15Å; Y957-I1018 HydrophobicContact CE2-CD1 3.43Å; Y957-I1018 VanDerWaalsContact CE2-CD1 3.43Å; Y957-I1018 HydrophobicContact CE2-CG1 4.04Å; Y957-I1018 HydrophobicContact CG-CD1 4.4Å; Y957-I1018 HydrophobicContact CG-CG1 4.49Å; Y957-I1018 HydrophobicContact CG-CG2 4.14Å; I1018-N1020 PolarHBondContact O-N 3.49Å; I1018-N1020 VanDerWaalsContact O-N 3.15Å; I1018-T1023 WeakPolarHBondContact O-CB 3.11Å; I1018-T1023 PolarHBondContact O-OG1 3.4Å
1019F82.4Confident86.8Confident84 Ų8441.3 Ų41.337%0.36821%0.212SC..SBendtrans-84.485.9177.4-163.6-96.6000110.2L397 L1024L397-F1019 HydrophobicContact CB-CD2 4.45Å; L397-F1019 HydrophobicContact CD1-CE2 4.45Å; L397-F1019 HydrophobicContact CD2-CB 4.25Å; L397-F1019 HydrophobicContact CD2-CD1 3.62Å; L397-F1019 HydrophobicContact CD2-CD2 3.62Å; L397-F1019 HydrophobicContact CD2-CE1 3.74Å; L397-F1019 HydrophobicContact CD2-CE2 3.75Å; L397-F1019 HydrophobicContact CD2-CG 3.55Å; L397-F1019 HydrophobicContact CD2-CZ 3.8Å; L397-F1019 HydrophobicContact CG-CD2 3.7Å; L397-F1019 HydrophobicContact CG-CE2 3.65Å; L397-F1019 HydrophobicContact CG-CG 4.17Å; L397-F1019 HydrophobicContact CG-CZ 4.07Å; F1019-L1024 HydrophobicContact CD2-CD1 4.15Å; F1019-L1024 HydrophobicContact CD2-CD2 4.01Å; F1019-L1024 HydrophobicContact CD2-CG 4.48Å; F1019-L1024 HydrophobicContact CE1-CD1 4.16Å; F1019-L1024 HydrophobicContact CE2-CD1 3.75Å; F1019-L1024 HydrophobicContact CE2-CD2 3.88Å; F1019-L1024 HydrophobicContact CE2-CG 4.38Å; F1019-L1024 HydrophobicContact CZ-CD1 3.77Å
1020N85Confident87.3Confident48 Ų4840.5 Ų40.526%0.25721%0.208SC..  trans-132.6155.7177.6-173.411.6000109.6I1015 I1018 Y1022 T1023 L1024I1015-N1020 HydrophobicContact CG2-CB 4.17Å; I1015-N1020 VanDerWaalsContact CG2-ND2 3.34Å; I1015-N1020 WeakPolarHBondContact CG2-ND2 3.09Å; I1018-N1020 PolarHBondContact O-N 3.49Å; I1018-N1020 VanDerWaalsContact O-N 3.15Å; N1020-Y1022 PolarHBondContact O-N 2.85Å; N1020-T1023 PolarHBondContact N-OG1 3.08Å; N1020-T1023 VanDerWaalsContact N-OG1 3.13Å; N1020-T1023 PolarHBondContact O-N 3.31Å; N1020-T1023 PolarHBondContact O-OG1 3.04Å; N1020-L1024 WeakPolarHBondContact O-CG 3.48Å; N1020-L1024 PolarHBondContact O-N 2.95Å
1021V88.1Confident87.8Confident79 Ų7940.8 Ų40.848%0.47921%0.207SC..Hα-helixtrans-56.5-41177.6-179.50000111.1L1025 F1161V1021-L1025 WeakPolarHBondContact O-CB 3.48Å; V1021-L1025 PolarHBondContact O-N 3.2Å; V1021-F1161 HydrophobicContact CG1-CD1 4.35Å; V1021-F1161 HydrophobicContact CG1-CE1 4.14Å; V1021-F1161 HydrophobicContact CG1-CE2 4.46Å; V1021-F1161 HydrophobicContact CG1-CZ 4.2Å
1022Y89.5Confident88.3Confident11 Ų1139.1 Ų39.14%0.04320%0.203CC..Hα-helixtrans-57.9-51.2175.8167.6-107000112.7K958 I1015 N1020 T1026 D1154 L1157 V1158K958-Y1022 PolarHBondContact NZ-OH 3.48Å; I1015-Y1022 HydrophobicContact CD1-CD1 3.32Å; I1015-Y1022 HydrophobicContact CD1-CE1 3.92Å; I1015-Y1022 HydrophobicContact CD1-CG 4.03Å; N1020-Y1022 PolarHBondContact O-N 2.85Å; Y1022-T1026 WeakPolarHBondContact O-CB 3.12Å; Y1022-T1026 VanDerWaalsContact O-CG2 3.3Å; Y1022-T1026 WeakPolarHBondContact O-CG2 3.48Å; Y1022-T1026 PolarHBondContact O-N 3.48Å; Y1022-D1154 PolarHBondContact OH-OD1 3.5Å; Y1022-L1157 HydrophobicContact CD2-CB 3.79Å; Y1022-L1157 HydrophobicContact CE2-CB 3.82Å; Y1022-V1158 HydrophobicContact CD2-CG2 4.49Å; Y1022-V1158 HydrophobicContact CE2-CB 4.27Å; Y1022-V1158 HydrophobicContact CE2-CG2 3.43Å; Y1022-V1158 VanDerWaalsContact CE2-CG2 3.43Å; Y1022-V1158 VanDerWaalsContact OH-CG2 3.24Å; Y1022-V1158 WeakPolarHBondContact OH-CG2 3.29Å
1023T88.6Confident88.9Confident6 Ų635 Ų354%0.03719%0.186CC..Hα-helixtrans-70.3-38.7-175.347.90000112.1I1018 N1020 T1026 V1027I1018-T1023 WeakPolarHBondContact O-CB 3.11Å; I1018-T1023 PolarHBondContact O-OG1 3.4Å; N1020-T1023 PolarHBondContact N-OG1 3.08Å; N1020-T1023 VanDerWaalsContact N-OG1 3.13Å; N1020-T1023 PolarHBondContact O-N 3.31Å; N1020-T1023 PolarHBondContact O-OG1 3.04Å; T1023-T1026 WeakPolarHBondContact O-CG2 3.32Å; T1023-V1027 WeakPolarHBondContact O-CB 3.38Å; T1023-V1027 VanDerWaalsContact O-CG2 3.23Å; T1023-V1027 WeakPolarHBondContact O-CG2 3.28Å; T1023-V1027 PolarHBondContact O-N 2.99Å
1024L90.7Very high89.3Confident30 Ų3033.4 Ų33.416%0.15718%0.18CC..Hα-helixtrans-65.4-47.2176.2-64.8172.9000111.1F398 F401 F1019 N1020 V1027 S1028F398-L1024 HydrophobicContact CD2-CD2 4.36Å; F401-L1024 HydrophobicContact CB-CD2 4.38Å; F401-L1024 HydrophobicContact CD1-CD2 3.54Å; F401-L1024 HydrophobicContact CD2-CD2 3.95Å; F401-L1024 HydrophobicContact CE1-CD2 3.6Å; F401-L1024 HydrophobicContact CE2-CD2 4Å; F401-L1024 HydrophobicContact CG-CD2 3.69Å; F401-L1024 HydrophobicContact CZ-CB 4.17Å; F401-L1024 HydrophobicContact CZ-CD2 3.8Å; F1019-L1024 HydrophobicContact CD2-CD1 4.15Å; F1019-L1024 HydrophobicContact CD2-CD2 4.01Å; F1019-L1024 HydrophobicContact CD2-CG 4.48Å; F1019-L1024 HydrophobicContact CE1-CD1 4.16Å; F1019-L1024 HydrophobicContact CE2-CD1 3.75Å; F1019-L1024 HydrophobicContact CE2-CD2 3.88Å; F1019-L1024 HydrophobicContact CE2-CG 4.38Å; F1019-L1024 HydrophobicContact CZ-CD1 3.77Å; N1020-L1024 WeakPolarHBondContact O-CG 3.48Å; N1020-L1024 PolarHBondContact O-N 2.95Å; L1024-V1027 PolarHBondContact O-N 3.32Å; L1024-S1028 PolarHBondContact O-N 2.79Å; L1024-S1028 PolarHBondContact O-OG 3.28Å
1025L91.9Very high89.6Confident65 Ų6536.6 Ų36.634%0.3419%0.193SC..Hα-helixtrans-72.1-34.8-175.4-156.7123.2000112.1V1021 L1029 L1157V1021-L1025 WeakPolarHBondContact O-CB 3.48Å; V1021-L1025 PolarHBondContact O-N 3.2Å; L1025-L1029 HydrophobicContact CD2-CD1 3.46Å; L1025-L1029 VanDerWaalsContact CD2-CD1 3.46Å; L1025-L1029 HydrophobicContact CD2-CG 4.18Å; L1025-L1029 HydrophobicContact CG-CD1 4.11Å; L1025-L1029 HydrophobicContact CG-CG 4.31Å; L1025-L1029 VanDerWaalsContact O-CB 3.3Å; L1025-L1029 WeakPolarHBondContact O-CB 3.26Å; L1025-L1029 WeakPolarHBondContact O-CG 3.39Å; L1025-L1029 PolarHBondContact O-N 3.02Å; L1025-L1157 HydrophobicContact CB-CD1 4.37Å; L1025-L1157 HydrophobicContact CD2-CD1 3.61Å; L1025-L1157 HydrophobicContact CD2-CD2 3.11Å; L1025-L1157 HydrophobicContact CD2-CG 3.93Å; L1025-L1157 HydrophobicContact CG-CD2 4.5Å
1026T92.5Very high90Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-68-40.5175-1650000112K958 Y1022 T1023 Q1030K958-T1026 HydrophobicContact CD-CG2 3.57Å; K958-T1026 HydrophobicContact CG-CG2 4.42Å; Y1022-T1026 WeakPolarHBondContact O-CB 3.12Å; Y1022-T1026 VanDerWaalsContact O-CG2 3.3Å; Y1022-T1026 WeakPolarHBondContact O-CG2 3.48Å; Y1022-T1026 PolarHBondContact O-N 3.48Å; T1023-T1026 WeakPolarHBondContact O-CG2 3.32Å; T1026-Q1030 VanDerWaalsContact O-CB 3.27Å; T1026-Q1030 WeakPolarHBondContact O-CB 2.85Å; T1026-Q1030 VanDerWaalsContact O-CG 3.26Å; T1026-Q1030 WeakPolarHBondContact O-CG 3.1Å; T1026-Q1030 PolarHBondContact O-N 2.85Å; T1026-Q1030 PolarHBondContact OG1-NE2 2.93Å
1027V92.7Very high90.6Very high0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-65-46.6176.3169.80000110.2F398 F401 L402 K958 A961 I962 L965 T1023 L1024 F1031F398-V1027 HydrophobicContact CZ-CG2 4.4Å; F401-V1027 HydrophobicContact CE1-CG1 4.49Å; L402-V1027 HydrophobicContact CD2-CG1 3.99Å; K958-V1027 HydrophobicContact CB-CG2 4.48Å; K958-V1027 HydrophobicContact CG-CG2 4.44Å; A961-V1027 HydrophobicContact CB-CG1 4.09Å; A961-V1027 HydrophobicContact CB-CG2 4.3Å; I962-V1027 HydrophobicContact CD1-CG2 4.44Å; I962-V1027 HydrophobicContact CG1-CB 4.37Å; I962-V1027 HydrophobicContact CG1-CG1 4.1Å; I962-V1027 HydrophobicContact CG1-CG2 4.24Å; L965-V1027 HydrophobicContact CD1-CG1 4.27Å; T1023-V1027 WeakPolarHBondContact O-CB 3.38Å; T1023-V1027 VanDerWaalsContact O-CG2 3.23Å; T1023-V1027 WeakPolarHBondContact O-CG2 3.28Å; T1023-V1027 PolarHBondContact O-N 2.99Å; L1024-V1027 PolarHBondContact O-N 3.32Å; V1027-F1031 WeakPolarHBondContact O-CB 3.49Å; V1027-F1031 PolarHBondContact O-N 3.48Å
1028S92.6Very high90.9Very high24 Ų2436 Ų3617%0.16818%0.179CC..Hα-helixtrans-63.5-47.8178.5-64.90000113.2F401 F405 L1024 F1031 L1032F401-S1028 WeakPolarHBondContact CZ-OG 3.29Å; F405-S1028 WeakPolarHBondContact CZ-OG 3.37Å; L1024-S1028 PolarHBondContact O-N 2.79Å; L1024-S1028 PolarHBondContact O-OG 3.28Å; S1028-F1031 PolarHBondContact O-N 2.87Å; S1028-L1032 WeakPolarHBondContact O-CG 3.42Å; S1028-L1032 PolarHBondContact O-N 2.94Å
1029L94.5Very high91.4Very high64 Ų6440.5 Ų40.534%0.33520%0.196SC..Hα-helixtrans-71.9-39.6-175.9-71-176.3000112.5L1025 L1032 V1033 I1153 L1157L1025-L1029 HydrophobicContact CD2-CD1 3.46Å; L1025-L1029 VanDerWaalsContact CD2-CD1 3.46Å; L1025-L1029 HydrophobicContact CD2-CG 4.18Å; L1025-L1029 HydrophobicContact CG-CD1 4.11Å; L1025-L1029 HydrophobicContact CG-CG 4.31Å; L1025-L1029 VanDerWaalsContact O-CB 3.3Å; L1025-L1029 WeakPolarHBondContact O-CB 3.26Å; L1025-L1029 WeakPolarHBondContact O-CG 3.39Å; L1025-L1029 PolarHBondContact O-N 3.02Å; L1029-L1032 HydrophobicContact CD2-CD1 4.34Å; L1029-L1032 PolarHBondContact O-N 3.32Å; L1029-V1033 PolarHBondContact O-N 2.77Å; L1029-V1033 VanDerWaalsContact O-N 3.16Å; L1029-I1153 HydrophobicContact CB-CD1 4.15Å; L1029-I1153 HydrophobicContact CB-CG2 3.55Å; L1029-I1153 HydrophobicContact CD1-CG2 4.03Å; L1029-I1153 HydrophobicContact CG-CG2 4.46Å; L1029-L1157 HydrophobicContact CD1-CD1 4.29Å
1030Q94.3Very high91.8Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-64.2-43.2173.6-70.8179.422.700110.7I962 T1026 L1032 V1033 H1034 N1087 I1153I962-Q1030 HydrophobicContact CD1-CB 4Å; T1026-Q1030 VanDerWaalsContact O-CB 3.27Å; T1026-Q1030 WeakPolarHBondContact O-CB 2.85Å; T1026-Q1030 VanDerWaalsContact O-CG 3.26Å; T1026-Q1030 WeakPolarHBondContact O-CG 3.1Å; T1026-Q1030 PolarHBondContact O-N 2.85Å; T1026-Q1030 PolarHBondContact OG1-NE2 2.93Å; Q1030-L1032 VanDerWaalsContact C-N 3.31Å; Q1030-L1032 PolarHBondContact O-N 2.92Å; Q1030-V1033 PolarHBondContact O-N 2.91Å; Q1030-V1033 VanDerWaalsContact O-N 3.16Å; Q1030-H1034 PolarHBondContact O-CD2 3.5Å; Q1030-H1034 PolarHBondContact O-N 3.35Å; Q1030-N1087 PolarHBondContact NE2-OD1 3.31Å; Q1030-N1087 PolarHBondContact OE1-ND2 3.38Å; Q1030-I1153 HydrophobicContact CG-CG2 4.31Å
1031F93.4Very high91.9Very high22 Ų2236.8 Ų36.810%0.09618%0.18CC..Hα-helixtrans-57-42.6173.5170.5-109.4000112.4F405 L965 V1027 S1028 V1033 H1034 F1035F405-F1031 HydrophobicContact CD1-CD1 4.04Å; F405-F1031 AromaticContact CD1-CE1 3.82Å; F405-F1031 HydrophobicContact CD1-CE1 3.82Å; F405-F1031 HydrophobicContact CE1-CD1 4.19Å; F405-F1031 HydrophobicContact CE1-CE1 4.33Å; L965-F1031 HydrophobicContact CB-CD2 3.48Å; L965-F1031 VanDerWaalsContact CB-CD2 3.48Å; L965-F1031 HydrophobicContact CB-CE2 3.65Å; L965-F1031 HydrophobicContact CB-CG 4.22Å; L965-F1031 HydrophobicContact CB-CZ 4.49Å; L965-F1031 HydrophobicContact CD1-CB 4.08Å; L965-F1031 HydrophobicContact CD1-CD1 4.32Å; L965-F1031 HydrophobicContact CD1-CD2 3.99Å; L965-F1031 HydrophobicContact CD1-CG 3.84Å; L965-F1031 HydrophobicContact CG-CD2 4.34Å; V1027-F1031 WeakPolarHBondContact O-CB 3.49Å; V1027-F1031 PolarHBondContact O-N 3.48Å; S1028-F1031 PolarHBondContact O-N 2.87Å; F1031-V1033 VanDerWaalsContact C-N 3.32Å; F1031-V1033 PolarHBondContact O-N 2.77Å; F1031-H1034 PolarHBondContact O-N 2.73Å; F1031-F1035 HydrophobicContact CE2-CB 4.45Å; F1031-F1035 HydrophobicContact CZ-CB 4.36Å; F1031-F1035 HydrophobicContact CZ-CD2 4.01Å; F1031-F1035 WeakPolarHBondContact O-CB 3.49Å; F1031-F1035 PolarHBondContact O-N 2.82Å
1032L93.7Very high91.9Very high93 Ų9333.3 Ų33.349%0.48716%0.159SC..Hα-helixtrans-63.5-35.9177.7-73175.8000113.1S1028 L1029 Q1030 Y1036S1028-L1032 WeakPolarHBondContact O-CG 3.42Å; S1028-L1032 PolarHBondContact O-N 2.94Å; L1029-L1032 HydrophobicContact CD2-CD1 4.34Å; L1029-L1032 PolarHBondContact O-N 3.32Å; Q1030-L1032 VanDerWaalsContact C-N 3.31Å; Q1030-L1032 PolarHBondContact O-N 2.92Å; L1032-Y1036 WeakPolarHBondContact O-CB 3.46Å; L1032-Y1036 PolarHBondContact O-N 2.82Å
1033V94.9Very high91.8Very high20 Ų2035.8 Ų35.812%0.12117%0.172CC..Hα-helixtrans-65.9-51.3173.6172.80000110.5L1029 Q1030 F1031 F1035 Y1036 V1037 A1149 I1153L1029-V1033 PolarHBondContact O-N 2.77Å; L1029-V1033 VanDerWaalsContact O-N 3.16Å; Q1030-V1033 PolarHBondContact O-N 2.91Å; Q1030-V1033 VanDerWaalsContact O-N 3.16Å; F1031-V1033 VanDerWaalsContact C-N 3.32Å; F1031-V1033 PolarHBondContact O-N 2.77Å; V1033-F1035 VanDerWaalsContact C-N 3.28Å; V1033-F1035 PolarHBondContact O-N 2.63Å; V1033-Y1036 PolarHBondContact O-N 2.82Å; V1033-V1037 WeakPolarHBondContact O-CB 3.44Å; V1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; V1033-V1037 PolarHBondContact O-N 2.79Å; V1033-A1149 HydrophobicContact CG1-CB 3.72Å; V1033-A1149 HydrophobicContact CG2-CB 4.09Å; V1033-I1153 HydrophobicContact CG2-CD1 3.38Å
1034H93.9Very high91.7Very high2 Ų237.7 Ų37.71%0.00918%0.18CC..Hα-helixtrans-57.9-41.5177.4-67.3-41.8000111.9I966 Q1030 F1031 V1037 L1038 M1079 T1083 D1146I966-H1034 HydrophobicContact CD1-CB 4.4Å; I966-H1034 HydrophobicContact CG1-CB 4.24Å; Q1030-H1034 PolarHBondContact O-CD2 3.5Å; Q1030-H1034 PolarHBondContact O-N 3.35Å; F1031-H1034 PolarHBondContact O-N 2.73Å; H1034-V1037 PolarHBondContact O-N 2.64Å; H1034-L1038 WeakPolarHBondContact O-CB 3.27Å; H1034-L1038 PolarHBondContact O-N 2.77Å; H1034-M1079 HydrophobicContact CB-CG 4.37Å; H1034-M1079 HydrophobicContact CB-SD 3.57Å; H1034-M1079 VanDerWaalsContact CB-SD 3.57Å; H1034-M1079 VanDerWaalsContact O-SD 3.35Å; H1034-T1083 PolarHBondContact NE2-OG1 2.86Å; H1034-D1146 IonicContact CE1-OD1 3.84Å; H1034-D1146 PolarHBondContact CE1-OD1 3.16Å; H1034-D1146 IonicContact CE1-OD2 3.24Å; H1034-D1146 PolarHBondContact CE1-OD2 3.35Å; H1034-D1146 IonicContact CG-OD1 3.35Å; H1034-D1146 VanDerWaalsContact ND1-CG 3.3Å; H1034-D1146 IonicContact ND1-OD1 3.7Å; H1034-D1146 PolarHBondContact ND1-OD1 2.81Å; H1034-D1146 IonicContact ND1-OD2 2.7Å; H1034-D1146 PolarHBondContact ND1-OD2 3.31Å; H1034-D1146 VanDerWaalsContact ND1-OD2 3.15Å
1035F91.6Very high91.3Very high76 Ų7636.2 Ų36.233%0.33317%0.173SC..Hα-helixtrans-61.8-47.8175.6178.7-89000111.8Y969 F1031 V1033 V1037 L1038 Y1039Y969-F1035 AromaticContact CD1-CD2 3.55Å; Y969-F1035 HydrophobicContact CD1-CD2 3.55Å; Y969-F1035 AromaticContact CD1-CE2 3.92Å; Y969-F1035 HydrophobicContact CD1-CE2 3.92Å; Y969-F1035 HydrophobicContact CD1-CG 4.48Å; Y969-F1035 AromaticContact CD2-CD2 3.99Å; Y969-F1035 HydrophobicContact CD2-CD2 3.99Å; Y969-F1035 AromaticContact CD2-CE2 3.63Å; Y969-F1035 HydrophobicContact CD2-CE2 3.63Å; Y969-F1035 AromaticContact CE1-CD2 3.43Å; Y969-F1035 HydrophobicContact CE1-CD2 3.43Å; Y969-F1035 VanDerWaalsContact CE1-CD2 3.43Å; Y969-F1035 AromaticContact CE1-CE2 3.54Å; Y969-F1035 HydrophobicContact CE1-CE2 3.54Å; Y969-F1035 HydrophobicContact CE1-CG 4.21Å; Y969-F1035 HydrophobicContact CE1-CZ 4.34Å; Y969-F1035 AromaticContact CE2-CD2 3.89Å; Y969-F1035 HydrophobicContact CE2-CD2 3.89Å; Y969-F1035 AromaticContact CE2-CE2 3.2Å; Y969-F1035 HydrophobicContact CE2-CE2 3.2Å; Y969-F1035 AromaticContact CE2-CZ 3.99Å; Y969-F1035 HydrophobicContact CE2-CZ 3.99Å; Y969-F1035 AromaticContact CG-CD2 3.85Å; Y969-F1035 HydrophobicContact CG-CD2 3.85Å; Y969-F1035 AromaticContact CG-CE2 3.99Å; Y969-F1035 HydrophobicContact CG-CE2 3.99Å; Y969-F1035 AromaticContact CZ-CD2 3.62Å; Y969-F1035 AromaticContact CZ-CE2 3.15Å; Y969-F1035 AromaticContact CZ-CZ 3.75Å; F1031-F1035 HydrophobicContact CE2-CB 4.45Å; F1031-F1035 HydrophobicContact CZ-CB 4.36Å; F1031-F1035 HydrophobicContact CZ-CD2 4.01Å; F1031-F1035 WeakPolarHBondContact O-CB 3.49Å; F1031-F1035 PolarHBondContact O-N 2.82Å; V1033-F1035 VanDerWaalsContact C-N 3.28Å; V1033-F1035 PolarHBondContact O-N 2.63Å; F1035-V1037 VanDerWaalsContact C-N 3.33Å; F1035-V1037 PolarHBondContact O-N 2.85Å; F1035-L1038 PolarHBondContact O-N 3.17Å; F1035-Y1039 WeakPolarHBondContact O-CB 3.39Å; F1035-Y1039 PolarHBondContact O-N 2.8Å
1036Y93.4Very high90.8Very high117 Ų11736.2 Ų36.246%0.45917%0.171SC..Hα-helixtrans-62.3-42.2178.1179.2-110000111.8L1032 V1033 Y1039 L1040 F1145L1032-Y1036 WeakPolarHBondContact O-CB 3.46Å; L1032-Y1036 PolarHBondContact O-N 2.82Å; V1033-Y1036 PolarHBondContact O-N 2.82Å; Y1036-Y1039 PolarHBondContact O-N 3.29Å; Y1036-L1040 HydrophobicContact CD1-CD1 3.96Å; Y1036-L1040 HydrophobicContact CD1-CG 4.46Å; Y1036-L1040 HydrophobicContact CE1-CD1 3.4Å; Y1036-L1040 VanDerWaalsContact CE1-CD1 3.4Å; Y1036-L1040 HydrophobicContact CE1-CG 4.1Å; Y1036-L1040 HydrophobicContact CE2-CD1 4.34Å; Y1036-L1040 HydrophobicContact CE2-CD2 4.25Å; Y1036-L1040 HydrophobicContact CE2-CG 4.19Å; Y1036-L1040 WeakPolarHBondContact O-CG 3.33Å; Y1036-L1040 PolarHBondContact O-N 2.96Å; Y1036-F1145 HydrophobicContact CD1-CE1 4.15Å; Y1036-F1145 HydrophobicContact CE1-CE1 4.35Å
1037V92.8Very high90.3Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-61.4-48.5176155.20000111.6V1033 H1034 F1035 Y1039 L1040 L1041 I1075 M1079 V1142 F1145 D1146V1033-V1037 WeakPolarHBondContact O-CB 3.44Å; V1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; V1033-V1037 PolarHBondContact O-N 2.79Å; H1034-V1037 PolarHBondContact O-N 2.64Å; F1035-V1037 VanDerWaalsContact C-N 3.33Å; F1035-V1037 PolarHBondContact O-N 2.85Å; V1037-Y1039 VanDerWaalsContact C-N 3.35Å; V1037-Y1039 PolarHBondContact O-N 2.87Å; V1037-L1040 PolarHBondContact O-N 3.36Å; V1037-L1041 PolarHBondContact O-N 3Å; V1037-L1041 VanDerWaalsContact O-N 3.11Å; V1037-I1075 HydrophobicContact CG1-CD1 3.73Å; V1037-I1075 HydrophobicContact CG1-CG1 3.8Å; V1037-M1079 HydrophobicContact CG1-SD 4.23Å; V1037-V1142 HydrophobicContact CB-CG1 3.98Å; V1037-V1142 HydrophobicContact CG1-CG1 3.31Å; V1037-V1142 HydrophobicContact CG2-CG1 4.01Å; V1037-F1145 HydrophobicContact CG2-CD1 3.91Å; V1037-F1145 HydrophobicContact CG2-CE1 4.31Å; V1037-D1146 HydrophobicContact CG1-CB 4.33Å; V1037-D1146 HydrophobicContact CG2-CB 3.92Å
1038L91.4Very high89.6Confident2 Ų246.4 Ų46.41%0.0122%0.219CC..Hα-helixtrans-61.7-44.2177178.852.7000110.8Y969 H1034 F1035 L1041 T1042 V1072 I1075 M1079Y969-L1038 HydrophobicContact CD1-CB 4.47Å; Y969-L1038 HydrophobicContact CD1-CD2 3.32Å; Y969-L1038 HydrophobicContact CD1-CG 4.05Å; Y969-L1038 HydrophobicContact CE1-CB 4.22Å; Y969-L1038 HydrophobicContact CE1-CD2 3.66Å; Y969-L1038 HydrophobicContact CE1-CG 3.86Å; Y969-L1038 HydrophobicContact CG-CD2 4.36Å; H1034-L1038 WeakPolarHBondContact O-CB 3.27Å; H1034-L1038 PolarHBondContact O-N 2.77Å; F1035-L1038 PolarHBondContact O-N 3.17Å; L1038-L1041 PolarHBondContact O-N 2.85Å; L1038-T1042 HydrophobicContact CD1-CG2 3.86Å; L1038-T1042 HydrophobicContact CG-CG2 4.4Å; L1038-T1042 WeakPolarHBondContact O-CG2 3.49Å; L1038-T1042 PolarHBondContact O-N 3.44Å; L1038-T1042 PolarHBondContact O-OG1 3.34Å; L1038-T1042 VanDerWaalsContact O-OG1 3.12Å; L1038-V1072 HydrophobicContact CD1-CG1 4.36Å; L1038-V1072 HydrophobicContact CD1-CG2 4.24Å; L1038-I1075 HydrophobicContact CD1-CG2 3.68Å; L1038-M1079 HydrophobicContact CB-CE 4.23Å; L1038-M1079 HydrophobicContact CB-SD 4.48Å; L1038-M1079 HydrophobicContact CD2-CE 4.3Å
1039Y90.8Very high88.7Confident107 Ų10747.3 Ų47.342%0.4222%0.221SC..Hα-helixtrans-59.7-46.2176.5174.2-102.2000113.1F1035 Y1036 V1037 L1041 T1042 M1043F1035-Y1039 WeakPolarHBondContact O-CB 3.39Å; F1035-Y1039 PolarHBondContact O-N 2.8Å; Y1036-Y1039 PolarHBondContact O-N 3.29Å; V1037-Y1039 VanDerWaalsContact C-N 3.35Å; V1037-Y1039 PolarHBondContact O-N 2.87Å; Y1039-L1041 VanDerWaalsContact C-N 3.32Å; Y1039-L1041 PolarHBondContact O-N 3.23Å; Y1039-T1042 WeakPolarHBondContact CA-OG1 3.38Å; Y1039-T1042 PolarHBondContact O-N 3.42Å; Y1039-T1042 PolarHBondContact O-OG1 3.01Å; Y1039-M1043 HydrophobicContact CD1-CG 4.5Å; Y1039-M1043 HydrophobicContact CD2-CG 4.34Å; Y1039-M1043 HydrophobicContact CE1-CG 4.07Å; Y1039-M1043 HydrophobicContact CE2-CE 4.42Å; Y1039-M1043 HydrophobicContact CE2-CG 3.9Å; Y1039-M1043 HydrophobicContact CE2-SD 4.12Å; Y1039-M1043 VanDerWaalsContact O-CG 3.28Å; Y1039-M1043 WeakPolarHBondContact O-CG 3.41Å; Y1039-M1043 PolarHBondContact O-N 3.17Å
1040L91.2Very high87.3Confident53 Ų5349.2 Ų49.228%0.27724%0.237SC..Hα-helixtrans-60.7-42.4177.4-74.9-179.5000111.9Y1036 V1037 M1043 E1044Y1036-L1040 HydrophobicContact CD1-CD1 3.96Å; Y1036-L1040 HydrophobicContact CD1-CG 4.46Å; Y1036-L1040 HydrophobicContact CE1-CD1 3.4Å; Y1036-L1040 VanDerWaalsContact CE1-CD1 3.4Å; Y1036-L1040 HydrophobicContact CE1-CG 4.1Å; Y1036-L1040 HydrophobicContact CE2-CD1 4.34Å; Y1036-L1040 HydrophobicContact CE2-CD2 4.25Å; Y1036-L1040 HydrophobicContact CE2-CG 4.19Å; Y1036-L1040 WeakPolarHBondContact O-CG 3.33Å; Y1036-L1040 PolarHBondContact O-N 2.96Å; V1037-L1040 PolarHBondContact O-N 3.36Å; L1040-M1043 PolarHBondContact O-N 2.85Å; L1040-E1044 PolarHBondContact O-N 3.18Å; L1040-E1044 VanDerWaalsContact O-N 3.11Å
1041L88.4Confident85.5Confident2 Ų258.5 Ų58.51%0.0128%0.278CS..Hα-helixtrans-69.7-37.7-179.5-166.168.3000112V1037 L1038 Y1039 E1044 A1045 L1071 I1075 F1138 F1139V1037-L1041 PolarHBondContact O-N 3Å; V1037-L1041 VanDerWaalsContact O-N 3.11Å; L1038-L1041 PolarHBondContact O-N 2.85Å; Y1039-L1041 VanDerWaalsContact C-N 3.32Å; Y1039-L1041 PolarHBondContact O-N 3.23Å; L1041-E1044 PolarHBondContact O-N 2.94Å; L1041-A1045 WeakPolarHBondContact O-CB 3.46Å; L1041-A1045 PolarHBondContact O-N 3.48Å; L1041-L1071 HydrophobicContact CD1-CD1 4.5Å; L1041-L1071 HydrophobicContact CD1-CD2 4.14Å; L1041-L1071 HydrophobicContact CD2-CB 3.93Å; L1041-L1071 HydrophobicContact CD2-CD2 4.17Å; L1041-L1071 HydrophobicContact CG-CB 4.23Å; L1041-L1071 HydrophobicContact CG-CD1 4.32Å; L1041-L1071 HydrophobicContact CG-CD2 4.31Å; L1041-I1075 HydrophobicContact CD2-CB 3.54Å; L1041-I1075 HydrophobicContact CD2-CD1 4.39Å; L1041-I1075 HydrophobicContact CD2-CG1 3.94Å; L1041-I1075 HydrophobicContact CD2-CG2 3.77Å; L1041-F1138 HydrophobicContact CD1-CD1 3.84Å; L1041-F1138 HydrophobicContact CD1-CE1 4.04Å; L1041-F1139 HydrophobicContact CD2-CD2 4.12Å
1042T86.7Confident83.8Confident5 Ų562.4 Ų62.43%0.03130%0.303CS..Hα-helixtrans-67.9-37.5177.655.30000111.3V973 L1038 Y1039 A1045 E1046 L1068 V1072V973-T1042 HydrophobicContact CG1-CG2 3.67Å; L1038-T1042 HydrophobicContact CD1-CG2 3.86Å; L1038-T1042 HydrophobicContact CG-CG2 4.4Å; L1038-T1042 WeakPolarHBondContact O-CG2 3.49Å; L1038-T1042 PolarHBondContact O-N 3.44Å; L1038-T1042 PolarHBondContact O-OG1 3.34Å; L1038-T1042 VanDerWaalsContact O-OG1 3.12Å; Y1039-T1042 WeakPolarHBondContact CA-OG1 3.38Å; Y1039-T1042 PolarHBondContact O-N 3.42Å; Y1039-T1042 PolarHBondContact O-OG1 3.01Å; T1042-A1045 WeakPolarHBondContact O-CB 3.2Å; T1042-A1045 PolarHBondContact O-N 2.97Å; T1042-E1046 VanDerWaalsContact O-CG 3.31Å; T1042-E1046 WeakPolarHBondContact O-CG 3.37Å; T1042-E1046 PolarHBondContact O-N 3.22Å; T1042-L1068 HydrophobicContact CG2-CD1 4.08Å; T1042-V1072 HydrophobicContact CG2-CG2 4.08Å
1043M87.1Confident81.7Confident63 Ų6365.9 Ų65.931%0.3132%0.322SS..Hα-helixtrans-63.5-44.4173.2-70.2-70.794.200112.5Y1039 L1040 A1045 E1046 L1047Y1039-M1043 HydrophobicContact CD1-CG 4.5Å; Y1039-M1043 HydrophobicContact CD2-CG 4.34Å; Y1039-M1043 HydrophobicContact CE1-CG 4.07Å; Y1039-M1043 HydrophobicContact CE2-CE 4.42Å; Y1039-M1043 HydrophobicContact CE2-CG 3.9Å; Y1039-M1043 HydrophobicContact CE2-SD 4.12Å; Y1039-M1043 VanDerWaalsContact O-CG 3.28Å; Y1039-M1043 WeakPolarHBondContact O-CG 3.41Å; Y1039-M1043 PolarHBondContact O-N 3.17Å; L1040-M1043 PolarHBondContact O-N 2.85Å; M1043-A1045 VanDerWaalsContact C-N 3.32Å; M1043-A1045 PolarHBondContact O-N 3.44Å; M1043-E1046 VanDerWaalsContact CE-CD 3.42Å; M1043-E1046 VanDerWaalsContact CE-OE1 3.3Å; M1043-E1046 WeakPolarHBondContact CE-OE1 3.25Å; M1043-E1046 WeakPolarHBondContact CE-OE2 3.34Å; M1043-E1046 PolarHBondContact O-N 2.96Å; M1043-L1047 WeakPolarHBondContact O-CG 3.28Å; M1043-L1047 PolarHBondContact O-N 3.41Å; M1043-L1047 VanDerWaalsContact O-N 3.15Å
1044E86.2Confident79.6Confident46 Ų4670.7 Ų70.722%0.21535%0.347CS..Hα-helixtrans-66.2-35.3176.7-173.764.6-162.300112.1L1040 L1041 R1048 L1135 F1138L1040-E1044 PolarHBondContact O-N 3.18Å; L1040-E1044 VanDerWaalsContact O-N 3.11Å; L1041-E1044 PolarHBondContact O-N 2.94Å; E1044-R1048 WeakPolarHBondContact O-CG 3.34Å; E1044-R1048 IonicContact OE1-CZ 3.34Å; E1044-R1048 IonicContact OE1-NE 3.01Å; E1044-R1048 PolarHBondContact OE1-NE 3.34Å; E1044-R1048 IonicContact OE1-NH2 2.78Å; E1044-R1048 PolarHBondContact OE1-NH2 2.86Å; E1044-L1135 HydrophobicContact CG-CD1 3.95Å; E1044-F1138 HydrophobicContact CB-CD1 4.05Å; E1044-F1138 HydrophobicContact CB-CE1 3.7Å; E1044-F1138 HydrophobicContact CB-CZ 4.32Å; E1044-F1138 HydrophobicContact CG-CD1 3.81Å; E1044-F1138 HydrophobicContact CG-CE1 3.95Å; E1044-F1138 HydrophobicContact CG-CG 4.3Å
1045A83.4Confident77.7Confident0 Ų076.8 Ų76.80%038%0.38CS..Hα-helixtrans-63.1-45.8173.900000111.4L1041 T1042 M1043 L1047 R1048 M1049 L1068 L1071L1041-A1045 WeakPolarHBondContact O-CB 3.46Å; L1041-A1045 PolarHBondContact O-N 3.48Å; T1042-A1045 WeakPolarHBondContact O-CB 3.2Å; T1042-A1045 PolarHBondContact O-N 2.97Å; M1043-A1045 VanDerWaalsContact C-N 3.32Å; M1043-A1045 PolarHBondContact O-N 3.44Å; A1045-L1047 VanDerWaalsContact C-N 3.31Å; A1045-L1047 PolarHBondContact O-N 2.89Å; A1045-R1048 PolarHBondContact O-N 2.81Å; A1045-M1049 WeakPolarHBondContact O-CG 3.45Å; A1045-M1049 PolarHBondContact O-N 2.67Å; A1045-L1068 HydrophobicContact CB-CD1 3.75Å; A1045-L1071 HydrophobicContact CB-CD1 3.5Å; A1045-L1071 VanDerWaalsContact CB-CD1 3.5Å
1046E81.3Confident75.7Confident65 Ų6578.8 Ų78.830%0.30439%0.389SS..Hα-helixtrans-61.3-37.9179.1-76.9177.7-148.600112.6K977 T1042 M1043 R1048K977-E1046 WeakPolarHBondContact CE-OE1 3.32Å; K977-E1046 IonicContact NZ-OE1 2.78Å; K977-E1046 PolarHBondContact NZ-OE1 2.78Å; K977-E1046 IonicContact NZ-OE2 3.22Å; K977-E1046 PolarHBondContact NZ-OE2 3.32Å; T1042-E1046 VanDerWaalsContact O-CG 3.31Å; T1042-E1046 WeakPolarHBondContact O-CG 3.37Å; T1042-E1046 PolarHBondContact O-N 3.22Å; M1043-E1046 VanDerWaalsContact CE-CD 3.42Å; M1043-E1046 VanDerWaalsContact CE-OE1 3.3Å; M1043-E1046 WeakPolarHBondContact CE-OE1 3.25Å; M1043-E1046 WeakPolarHBondContact CE-OE2 3.34Å; M1043-E1046 PolarHBondContact O-N 2.96Å; E1046-R1048 PolarHBondContact O-N 3.48Å
1047L81.8Confident74Confident141 Ų14175.6 Ų75.674%0.73838%0.379SS*.Hα-helixtrans-63.6-23.5175.8-71.1174.8000113.4M1043 A1045M1043-L1047 WeakPolarHBondContact O-CG 3.28Å; M1043-L1047 PolarHBondContact O-N 3.41Å; M1043-L1047 VanDerWaalsContact O-N 3.15Å; A1045-L1047 VanDerWaalsContact C-N 3.31Å; A1045-L1047 PolarHBondContact O-N 2.89Å
1048R78.7Confident72.2Confident73 Ų7379.3 Ų79.328%0.27540%0.399SS..Hα-helixtrans-104.5-16.7-175.7-64.5178.3-172.4-130.82.9113.8E1044 A1045 E1046E1044-R1048 WeakPolarHBondContact O-CG 3.34Å; E1044-R1048 IonicContact OE1-CZ 3.34Å; E1044-R1048 IonicContact OE1-NE 3.01Å; E1044-R1048 PolarHBondContact OE1-NE 3.34Å; E1044-R1048 IonicContact OE1-NH2 2.78Å; E1044-R1048 PolarHBondContact OE1-NH2 2.86Å; A1045-R1048 PolarHBondContact O-N 2.81Å; E1046-R1048 PolarHBondContact O-N 3.48Å
1049M72.6Confident70.4Confident42 Ų4280.1 Ų80.121%0.20740%0.403CS..SBendtrans-68.9143.2175.4-76.7178.671.200110.4F979 A1045 K1051 L1068F979-M1049 HydrophobicContact CE1-CE 4.41Å; F979-M1049 HydrophobicContact CE2-CE 3.55Å; F979-M1049 HydrophobicContact CZ-CE 3.34Å; A1045-M1049 WeakPolarHBondContact O-CG 3.45Å; A1045-M1049 PolarHBondContact O-N 2.67Å; M1049-K1051 PolarHBondContact O-N 3.47Å; M1049-L1068 HydrophobicContact SD-CB 3.69Å; M1049-L1068 HydrophobicContact SD-CD2 4.47Å
1050P65.5Low68.5Low104 Ų10480 Ų8068%0.67541%0.406SS*.  trans-58.9133.717125.2-32000108.9V1052P1050-V1052 PolarHBondContact O-N 2.93Å
1051K56.9Low66.6Low195 Ų19579.6 Ų79.685%0.84841%0.41SS*.  trans-59.4113.7168.9-71.4-176.7178.2-178.50106.9M1049 D1053M1049-K1051 PolarHBondContact O-N 3.47Å; K1051-D1053 PolarHBondContact O-N 2.73Å
1052V57.1Low65.1Low105 Ų10587.9 Ų87.964%0.63645%0.449SS*.  trans-73.3118.3175.1-174.70000106.2P1050 D1054P1050-V1052 PolarHBondContact O-N 2.93Å; V1052-D1054 HydrophobicContact CG1-CB 4.5Å; V1052-D1054 WeakPolarHBondContact CG1-O 3.46Å; V1052-D1054 PolarHBondContact O-N 2.86Å
1053D49.2Very low64Low165 Ų16590.1 Ų90.188%0.88246%0.458SS*.SBendtrans-68.2-18.8-178.7-71.5-40.5000112.7K1051K1051-D1053 PolarHBondContact O-N 2.73Å
1054D50.8Low62.9Low121 Ų12194.6 Ų94.665%0.64748%0.476SS*.  trans-100.1110.8170.9-81.7-39.9000110.5V1052 F1056V1052-D1054 HydrophobicContact CG1-CB 4.5Å; V1052-D1054 WeakPolarHBondContact CG1-O 3.46Å; V1052-D1054 PolarHBondContact O-N 2.86Å; D1054-F1056 PolarHBondContact O-N 2.97Å
1055D55.7Low62Low130 Ų13095.8 Ų95.870%0.69549%0.487SS*.  trans-63.24.8166-72-32.7000112.7I1057D1055-I1057 PolarHBondContact O-N 2.98Å
1056F49.3Very low61.6Low118 Ų11896.4 Ų96.452%0.51849%0.492SS..  trans-83.598.5176.2-170.9-101.7000110.8D1054 D1058D1054-F1056 PolarHBondContact O-N 2.97Å; F1056-D1058 HydrophobicContact CD1-CB 4.25Å; F1056-D1058 HydrophobicContact CE1-CB 3.9Å; F1056-D1058 PolarHBondContact O-N 3.36Å
1057I56.5Low61.6Low51 Ų5195.2 Ų95.226%0.26249%0.487SS..  trans-77.9101.2169.7-64.5163.8000108.3D1055 L1059D1055-I1057 PolarHBondContact O-N 2.98Å; I1057-L1059 PolarHBondContact O-N 3.09Å
1058D54.8Low61.7Low77 Ų7788.6 Ų88.641%0.41245%0.452SS..  trans-70.897.5172.3-173.12000110.1F1056 H1060 A1061F1056-D1058 HydrophobicContact CD1-CB 4.25Å; F1056-D1058 HydrophobicContact CE1-CB 3.9Å; F1056-D1058 PolarHBondContact O-N 3.36Å; D1058-H1060 PolarHBondContact O-N 2.96Å; D1058-H1060 PolarHBondContact OD1-N 2.72Å; D1058-A1061 HydrophobicContact CB-CB 4.17Å; D1058-A1061 WeakPolarHBondContact O-CB 3.37Å; D1058-A1061 PolarHBondContact O-N 3.37Å; D1058-A1061 VanDerWaalsContact O-N 3.14Å
1059L54.4Low61.9Low19 Ų1985.1 Ų85.110%0.09944%0.439CS..THydrogen-bonded Turntrans-63.7-16177.6-75.4141.6000113.2R423 K427 Y975 I1057R423-L1059 HydrophobicContact CB-CD1 4.38Å; R423-L1059 HydrophobicContact CG-CD1 4.42Å; K427-L1059 HydrophobicContact CD-CB 3.99Å; K427-L1059 HydrophobicContact CD-CD2 4.08Å; K427-L1059 PolarHBondContact NZ-O 2.87Å; Y975-L1059 HydrophobicContact CE2-CD2 3.79Å; I1057-L1059 PolarHBondContact O-N 3.09Å
1060H50.7Low62.6Low106 Ų10683.2 Ų83.249%0.49143%0.43SS..THydrogen-bonded Turntrans-981.4176.9-64.7-72000113.2E212 D1058 E1062E212-H1060 IonicContact OE1-CE1 3.63Å; E212-H1060 IonicContact OE1-ND1 2.81Å; E212-H1060 PolarHBondContact OE1-ND1 2.82Å; D1058-H1060 PolarHBondContact O-N 2.96Å; D1058-H1060 PolarHBondContact OD1-N 2.72Å; H1060-E1062 PolarHBondContact O-N 3.28Å
1061A52.7Low63.6Low43 Ų4378.3 Ų78.336%0.35540%0.398SS..PPolyproline II helixtrans-59.4131.1179.400000111D1058D1058-A1061 HydrophobicContact CB-CB 4.17Å; D1058-A1061 WeakPolarHBondContact O-CB 3.37Å; D1058-A1061 PolarHBondContact O-N 3.37Å; D1058-A1061 VanDerWaalsContact O-N 3.14Å
1062E55.4Low65.1Low176 Ų17669 Ų6982%0.82236%0.358SS*.PPolyproline II helixtrans-52.4145.1168.2-69.2-177.5167.500109.8H1060 K1064H1060-E1062 PolarHBondContact O-N 3.28Å; E1062-K1064 PolarHBondContact O-N 3.15Å; E1062-K1064 VanDerWaalsContact O-N 3.07Å
1063F64.6Low66.5Low53 Ų5364.4 Ų64.423%0.23233%0.329CS..PPolyproline II helixtrans-50.1119.1178.9171.4-90.8000110.8K980 P1065 N1069 Q1127K980-F1063 HydrophobicContact CB-CD2 4.48Å; K980-F1063 WeakPolarHBondContact O-CD2 3.27Å; K980-F1063 WeakPolarHBondContact O-CE2 3.4Å; F1063-P1065 HydrophobicContact CE1-CB 4.41Å; F1063-N1069 WeakPolarHBondContact CE2-ND2 3.37Å; F1063-N1069 VanDerWaalsContact CZ-ND2 3.31Å; F1063-N1069 WeakPolarHBondContact CZ-ND2 3.3Å; F1063-Q1127 HydrophobicContact CE1-CB 3.73Å; F1063-Q1127 HydrophobicContact CE1-CG 4.46Å; F1063-Q1127 HydrophobicContact CZ-CB 4.34Å
1064K63.4Low68.4Low157 Ų15756.7 Ų56.768%0.68329%0.288SS*.  trans-114.1129.2170.5-70.8-179-175.4174.20109.4E1062 S1066E1062-K1064 PolarHBondContact O-N 3.15Å; E1062-K1064 VanDerWaalsContact O-N 3.07Å; K1064-S1066 PolarHBondContact O-N 2.95Å
1065P66.7Low70.3Confident70 Ų7050.9 Ų50.946%0.45526%0.257SS..  trans-64.4120.7179.128.4-35.1000109.6F1063 Q1127 V1129F1063-P1065 HydrophobicContact CE1-CB 4.41Å; P1065-Q1127 VanDerWaalsContact CB-O 3.32Å; P1065-Q1127 WeakPolarHBondContact CB-O 2.99Å; P1065-V1129 HydrophobicContact CB-CG2 3.92Å; P1065-V1129 WeakPolarHBondContact O-CG2 3.45Å
1066S76.1Confident71.9Confident13 Ų1344.7 Ų44.79%0.09122%0.224CC..  trans-119.6160.4178.272.40000111.4F979 K1064 L1068 N1069 T1070F979-S1066 WeakPolarHBondContact CD1-OG 3.33Å; F979-S1066 WeakPolarHBondContact CE1-OG 3.48Å; K1064-S1066 PolarHBondContact O-N 2.95Å; S1066-L1068 VanDerWaalsContact C-N 3.28Å; S1066-L1068 PolarHBondContact O-N 2.8Å; S1066-N1069 PolarHBondContact O-N 3.34Å; S1066-N1069 WeakPolarHBondContact OG-CB 3.37Å; S1066-N1069 PolarHBondContact OG-N 3.21Å; S1066-T1070 WeakPolarHBondContact O-CB 3.44Å; S1066-T1070 PolarHBondContact O-N 2.82Å; S1066-T1070 PolarHBondContact O-OG1 3.15Å
1067I80.8Confident73.8Confident41 Ų4139.5 Ų39.521%0.2120%0.202CC..Hα-helixtrans-59.4-44.2173.9-62.8168.5000109.5T1070 L1071 V1129 L1131 L1135I1067-T1070 PolarHBondContact O-N 3.29Å; I1067-L1071 HydrophobicContact CG2-CD1 3.9Å; I1067-L1071 HydrophobicContact CG2-CG 4.34Å; I1067-L1071 WeakPolarHBondContact O-CB 3.48Å; I1067-L1071 WeakPolarHBondContact O-CG 2.88Å; I1067-L1071 PolarHBondContact O-N 2.89Å; I1067-V1129 HydrophobicContact CG1-CG1 4.23Å; I1067-L1131 HydrophobicContact CG2-CD2 4.4Å; I1067-L1135 HydrophobicContact CG2-CD2 3.75Å
1068L83.6Confident75.5Confident1 Ų137.1 Ų37.11%0.00519%0.19CC..Hα-helixtrans-62.5-47.2178-175.667.1000112L974 K977 F979 T1042 A1045 M1049 S1066 T1070 L1071 V1072L974-L1068 HydrophobicContact CD2-CG 4.44Å; K977-L1068 HydrophobicContact CB-CD2 3.74Å; K977-L1068 HydrophobicContact CG-CD2 3.84Å; F979-L1068 HydrophobicContact CD2-CD2 3.77Å; F979-L1068 HydrophobicContact CE2-CD2 4.09Å; T1042-L1068 HydrophobicContact CG2-CD1 4.08Å; A1045-L1068 HydrophobicContact CB-CD1 3.75Å; M1049-L1068 HydrophobicContact SD-CB 3.69Å; M1049-L1068 HydrophobicContact SD-CD2 4.47Å; S1066-L1068 VanDerWaalsContact C-N 3.28Å; S1066-L1068 PolarHBondContact O-N 2.8Å; L1068-T1070 VanDerWaalsContact C-N 3.32Å; L1068-T1070 PolarHBondContact O-N 3.42Å; L1068-L1071 PolarHBondContact O-N 3.06Å; L1068-V1072 HydrophobicContact CD1-CG2 4Å; L1068-V1072 HydrophobicContact CG-CG2 4.23Å; L1068-V1072 WeakPolarHBondContact O-CB 3.5Å; L1068-V1072 VanDerWaalsContact O-CG2 3.25Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.42Å; L1068-V1072 PolarHBondContact O-N 3.32Å
1069N84.1Confident77.2Confident0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-59.7-45.3177.118054.7000111.5K980 Q985 F1063 S1066 L1071 V1072 Y1073K980-N1069 PolarHBondContact O-OD1 3.35Å; Q985-N1069 PolarHBondContact NE2-ND2 3.32Å; Q985-N1069 PolarHBondContact OE1-ND2 3.28Å; Q985-N1069 VanDerWaalsContact OE1-ND2 3.11Å; F1063-N1069 WeakPolarHBondContact CE2-ND2 3.37Å; F1063-N1069 VanDerWaalsContact CZ-ND2 3.31Å; F1063-N1069 WeakPolarHBondContact CZ-ND2 3.3Å; S1066-N1069 PolarHBondContact O-N 3.34Å; S1066-N1069 WeakPolarHBondContact OG-CB 3.37Å; S1066-N1069 PolarHBondContact OG-N 3.21Å; N1069-L1071 PolarHBondContact O-N 3.35Å; N1069-V1072 PolarHBondContact O-N 2.77Å; N1069-Y1073 VanDerWaalsContact O-CB 3.24Å; N1069-Y1073 WeakPolarHBondContact O-CB 3.36Å; N1069-Y1073 PolarHBondContact O-N 3.01Å
1070T86.6Confident79Confident2 Ų232.9 Ų32.91%0.01217%0.167CC..Hα-helixtrans-60.2-46.7178.4-59.40000111.5S1066 I1067 L1068 L1074 L1128 V1129 L1131S1066-T1070 WeakPolarHBondContact O-CB 3.44Å; S1066-T1070 PolarHBondContact O-N 2.82Å; S1066-T1070 PolarHBondContact O-OG1 3.15Å; I1067-T1070 PolarHBondContact O-N 3.29Å; L1068-T1070 VanDerWaalsContact C-N 3.32Å; L1068-T1070 PolarHBondContact O-N 3.42Å; T1070-L1074 HydrophobicContact CG2-CD1 3.77Å; T1070-L1074 HydrophobicContact CG2-CG 4.43Å; T1070-L1074 WeakPolarHBondContact O-CB 3.38Å; T1070-L1074 WeakPolarHBondContact O-CG 3.45Å; T1070-L1074 PolarHBondContact O-N 2.88Å; T1070-L1128 HydrophobicContact CG2-CB 3.98Å; T1070-L1128 HydrophobicContact CG2-CD2 3.87Å; T1070-L1128 HydrophobicContact CG2-CG 4.43Å; T1070-V1129 WeakPolarHBondContact CG2-O 3.46Å; T1070-V1129 PolarHBondContact OG1-N 2.82Å; T1070-L1131 HydrophobicContact CG2-CD2 4.24Å; T1070-L1131 HydrophobicContact CG2-CG 4.42Å
1071L87Confident80.9Confident1 Ų128.3 Ų28.31%0.00515%0.146CC..Hα-helixtrans-66.4-45.8179.1-75.1174.8000112.6L1041 A1045 I1067 L1068 N1069 Y1073 L1074 I1075 L1131 L1135L1041-L1071 HydrophobicContact CD1-CD1 4.5Å; L1041-L1071 HydrophobicContact CD1-CD2 4.14Å; L1041-L1071 HydrophobicContact CD2-CB 3.93Å; L1041-L1071 HydrophobicContact CD2-CD2 4.17Å; L1041-L1071 HydrophobicContact CG-CB 4.23Å; L1041-L1071 HydrophobicContact CG-CD1 4.32Å; L1041-L1071 HydrophobicContact CG-CD2 4.31Å; A1045-L1071 HydrophobicContact CB-CD1 3.5Å; A1045-L1071 VanDerWaalsContact CB-CD1 3.5Å; I1067-L1071 HydrophobicContact CG2-CD1 3.9Å; I1067-L1071 HydrophobicContact CG2-CG 4.34Å; I1067-L1071 WeakPolarHBondContact O-CB 3.48Å; I1067-L1071 WeakPolarHBondContact O-CG 2.88Å; I1067-L1071 PolarHBondContact O-N 2.89Å; L1068-L1071 PolarHBondContact O-N 3.06Å; N1069-L1071 PolarHBondContact O-N 3.35Å; L1071-Y1073 VanDerWaalsContact C-N 3.32Å; L1071-Y1073 PolarHBondContact O-N 2.69Å; L1071-L1074 PolarHBondContact O-N 2.92Å; L1071-I1075 WeakPolarHBondContact O-CB 3.38Å; L1071-I1075 VanDerWaalsContact O-CG2 3.23Å; L1071-I1075 WeakPolarHBondContact O-CG2 3.37Å; L1071-I1075 PolarHBondContact O-N 2.8Å; L1071-L1131 HydrophobicContact CD2-CD1 3.84Å; L1071-L1131 HydrophobicContact CD2-CD2 3.69Å; L1071-L1131 HydrophobicContact CD2-CG 4.46Å; L1071-L1131 HydrophobicContact CG-CD2 3.95Å; L1071-L1135 HydrophobicContact CD1-CD1 4.02Å; L1071-L1135 HydrophobicContact CD1-CD2 4.01Å; L1071-L1135 HydrophobicContact CD1-CG 4.27Å; L1071-L1135 HydrophobicContact CD2-CD1 4.42Å; L1071-L1135 HydrophobicContact CD2-CD2 4.37Å; L1071-L1135 HydrophobicContact CD2-CG 4.16Å; L1071-L1135 HydrophobicContact CG-CD2 4.49Å
1072V87.7Confident82.7Confident1 Ų126.9 Ų26.91%0.00613%0.133CC..Hα-helixtrans-63.6-40.4178.9175.20000110.5L974 L1038 T1042 L1068 N1069 I1075 S1076L974-V1072 HydrophobicContact CD1-CB 4.29Å; L974-V1072 HydrophobicContact CD1-CG1 3.71Å; L974-V1072 HydrophobicContact CD2-CB 4.03Å; L974-V1072 HydrophobicContact CD2-CG1 4.24Å; L974-V1072 HydrophobicContact CD2-CG2 4.04Å; L974-V1072 HydrophobicContact CG-CB 4.24Å; L974-V1072 HydrophobicContact CG-CG1 3.88Å; L974-V1072 HydrophobicContact CG-CG2 4.37Å; L1038-V1072 HydrophobicContact CD1-CG1 4.36Å; L1038-V1072 HydrophobicContact CD1-CG2 4.24Å; T1042-V1072 HydrophobicContact CG2-CG2 4.08Å; L1068-V1072 HydrophobicContact CD1-CG2 4Å; L1068-V1072 HydrophobicContact CG-CG2 4.23Å; L1068-V1072 WeakPolarHBondContact O-CB 3.5Å; L1068-V1072 VanDerWaalsContact O-CG2 3.25Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.42Å; L1068-V1072 PolarHBondContact O-N 3.32Å; N1069-V1072 PolarHBondContact O-N 2.77Å; V1072-I1075 WeakPolarHBondContact O-CG2 3.47Å; V1072-S1076 WeakPolarHBondContact O-CB 3.49Å; V1072-S1076 PolarHBondContact O-N 2.78Å; V1072-S1076 PolarHBondContact O-OG 2.73Å
1073Y87.6Confident84.5Confident7 Ų718.5 Ų18.53%0.0279%0.094CC..Hα-helixtrans-61.1-54.1173.5176.5-105000111.5Q985 R989 N1069 L1071 I1075 S1076 T1077 L1128Q985-Y1073 HydrophobicContact CB-CD2 3.72Å; Q985-Y1073 HydrophobicContact CB-CE2 3.49Å; Q985-Y1073 VanDerWaalsContact CB-CE2 3.49Å; Q985-Y1073 HydrophobicContact CB-CG 4.48Å; Q985-Y1073 HydrophobicContact CG-CD1 4.43Å; Q985-Y1073 HydrophobicContact CG-CD2 3.95Å; Q985-Y1073 HydrophobicContact CG-CE1 4.34Å; Q985-Y1073 HydrophobicContact CG-CE2 3.87Å; Q985-Y1073 HydrophobicContact CG-CG 4.23Å; Q985-Y1073 WeakPolarHBondContact O-CE2 3.4Å; R989-Y1073 HydrophobicContact CB-CE2 4.46Å; N1069-Y1073 VanDerWaalsContact O-CB 3.24Å; N1069-Y1073 WeakPolarHBondContact O-CB 3.36Å; N1069-Y1073 PolarHBondContact O-N 3.01Å; L1071-Y1073 VanDerWaalsContact C-N 3.32Å; L1071-Y1073 PolarHBondContact O-N 2.69Å; Y1073-I1075 PolarHBondContact O-N 2.86Å; Y1073-S1076 PolarHBondContact O-N 2.96Å; Y1073-T1077 PolarHBondContact O-N 3.19Å; Y1073-T1077 PolarHBondContact O-OG1 3.33Å; Y1073-L1128 HydrophobicContact CD1-CD1 4.4Å; Y1073-L1128 HydrophobicContact CD1-CD2 3.7Å; Y1073-L1128 HydrophobicContact CE1-CD1 4.39Å; Y1073-L1128 HydrophobicContact CE1-CD2 4.34Å; Y1073-L1128 HydrophobicContact CG-CD2 4.38Å
1074L88.9Confident85.7Confident3 Ų316.2 Ų16.22%0.0168%0.084CC..Hα-helixtrans-60.5-44.1-177.9-72.9170.1000112.6T1070 L1071 G1078 L1117 P1118 L1131 F1139T1070-L1074 HydrophobicContact CG2-CD1 3.77Å; T1070-L1074 HydrophobicContact CG2-CG 4.43Å; T1070-L1074 WeakPolarHBondContact O-CB 3.38Å; T1070-L1074 WeakPolarHBondContact O-CG 3.45Å; T1070-L1074 PolarHBondContact O-N 2.88Å; L1071-L1074 PolarHBondContact O-N 2.92Å; L1074-G1078 PolarHBondContact O-N 2.76Å; L1074-L1117 HydrophobicContact CD2-CB 3.64Å; L1074-L1117 HydrophobicContact CD2-CD1 4.06Å; L1074-P1118 HydrophobicContact CD1-CG 4.14Å; L1074-P1118 HydrophobicContact CD2-CG 4.48Å; L1074-L1131 HydrophobicContact CD1-CD1 3.73Å; L1074-F1139 HydrophobicContact CB-CE2 3.78Å; L1074-F1139 HydrophobicContact CB-CZ 3.86Å
1075I90.2Very high87Confident0 Ų09.7 Ų9.70%06%0.059CC..Hα-helixtrans-71.9-37179.4-162.761.8000111.3V1037 L1038 L1041 L1071 V1072 Y1073 G1078 M1079 F1139 V1142 L1143V1037-I1075 HydrophobicContact CG1-CD1 3.73Å; V1037-I1075 HydrophobicContact CG1-CG1 3.8Å; L1038-I1075 HydrophobicContact CD1-CG2 3.68Å; L1041-I1075 HydrophobicContact CD2-CB 3.54Å; L1041-I1075 HydrophobicContact CD2-CD1 4.39Å; L1041-I1075 HydrophobicContact CD2-CG1 3.94Å; L1041-I1075 HydrophobicContact CD2-CG2 3.77Å; L1071-I1075 WeakPolarHBondContact O-CB 3.38Å; L1071-I1075 VanDerWaalsContact O-CG2 3.23Å; L1071-I1075 WeakPolarHBondContact O-CG2 3.37Å; L1071-I1075 PolarHBondContact O-N 2.8Å; V1072-I1075 WeakPolarHBondContact O-CG2 3.47Å; Y1073-I1075 PolarHBondContact O-N 2.86Å; I1075-G1078 CarbonylContact O-C 3.57Å; I1075-G1078 WeakPolarHBondContact O-CA 3.49Å; I1075-G1078 PolarHBondContact O-N 3.11Å; I1075-M1079 HydrophobicContact CG1-CE 4.22Å; I1075-M1079 HydrophobicContact CG1-CG 4.3Å; I1075-M1079 HydrophobicContact CG1-SD 4.32Å; I1075-M1079 HydrophobicContact CG2-CE 4.13Å; I1075-M1079 WeakPolarHBondContact O-CB 3.45Å; I1075-M1079 VanDerWaalsContact O-CG 3.25Å; I1075-M1079 WeakPolarHBondContact O-CG 3.39Å; I1075-M1079 PolarHBondContact O-N 3.1Å; I1075-F1139 HydrophobicContact CB-CE2 4.17Å; I1075-F1139 HydrophobicContact CD1-CD2 4.39Å; I1075-F1139 HydrophobicContact CD1-CE2 4Å; I1075-V1142 HydrophobicContact CD1-CG1 4.34Å; I1075-L1143 HydrophobicContact CD1-CD1 4.4Å
1076S89.4Confident88.1Confident0 Ų06.4 Ų6.40%04%0.038CC..Hα-helixtrans-64.6-46.5177.6-610000111.2V1072 Y1073 G1078 M1079 E1080V1072-S1076 WeakPolarHBondContact O-CB 3.49Å; V1072-S1076 PolarHBondContact O-N 2.78Å; V1072-S1076 PolarHBondContact O-OG 2.73Å; Y1073-S1076 PolarHBondContact O-N 2.96Å; S1076-G1078 VanDerWaalsContact C-N 3.27Å; S1076-G1078 PolarHBondContact O-N 2.63Å; S1076-M1079 PolarHBondContact O-N 2.76Å; S1076-E1080 WeakPolarHBondContact O-CG 3.26Å; S1076-E1080 PolarHBondContact O-N 3.47Å
1077T89.1Confident88.7Confident9 Ų95.8 Ų5.86%0.0553%0.034CC..Hα-helixtrans-63.1-35.6173.2-58.40000111.8L992 Y1073 T1081 I1114L992-T1077 HydrophobicContact CD2-CG2 4.23Å; Y1073-T1077 PolarHBondContact O-N 3.19Å; Y1073-T1077 PolarHBondContact O-OG1 3.33Å; T1077-T1081 WeakPolarHBondContact O-CB 3.35Å; T1077-T1081 PolarHBondContact O-N 2.79Å; T1077-T1081 VanDerWaalsContact O-N 3.08Å; T1077-T1081 PolarHBondContact O-OG1 2.87Å; T1077-I1114 HydrophobicContact CG2-CD1 4.39Å; T1077-I1114 HydrophobicContact CG2-CG1 4.19Å
1078G91.1Very high89.1Confident1 Ų14.3 Ų4.31%0.013%0.026CC..Hα-helixtrans-59.8-53.5171.800000113.1L1074 I1075 S1076 E1080 T1081 V1082L1074-G1078 PolarHBondContact O-N 2.76Å; I1075-G1078 CarbonylContact O-C 3.57Å; I1075-G1078 WeakPolarHBondContact O-CA 3.49Å; I1075-G1078 PolarHBondContact O-N 3.11Å; S1076-G1078 VanDerWaalsContact C-N 3.27Å; S1076-G1078 PolarHBondContact O-N 2.63Å; G1078-E1080 VanDerWaalsContact C-N 3.34Å; G1078-E1080 PolarHBondContact O-N 2.83Å; G1078-T1081 WeakPolarHBondContact O-CB 3.43Å; G1078-T1081 PolarHBondContact O-N 2.75Å; G1078-T1081 VanDerWaalsContact O-N 3.14Å; G1078-V1082 WeakPolarHBondContact O-CG2 3.31Å; G1078-V1082 PolarHBondContact O-N 2.87Å
1079M92.2Very high89Confident1 Ų16.4 Ų6.41%0.0054%0.039CC..Hα-helixtrans-61.9-39180-70-179-63.500111.7I966 H1034 V1037 L1038 I1075 S1076 V1082 T1083I966-M1079 HydrophobicContact CD1-CB 3.79Å; I966-M1079 HydrophobicContact CG2-CE 3.7Å; H1034-M1079 HydrophobicContact CB-CG 4.37Å; H1034-M1079 HydrophobicContact CB-SD 3.57Å; H1034-M1079 VanDerWaalsContact CB-SD 3.57Å; H1034-M1079 VanDerWaalsContact O-SD 3.35Å; V1037-M1079 HydrophobicContact CG1-SD 4.23Å; L1038-M1079 HydrophobicContact CB-CE 4.23Å; L1038-M1079 HydrophobicContact CB-SD 4.48Å; L1038-M1079 HydrophobicContact CD2-CE 4.3Å; I1075-M1079 HydrophobicContact CG1-CE 4.22Å; I1075-M1079 HydrophobicContact CG1-CG 4.3Å; I1075-M1079 HydrophobicContact CG1-SD 4.32Å; I1075-M1079 HydrophobicContact CG2-CE 4.13Å; I1075-M1079 WeakPolarHBondContact O-CB 3.45Å; I1075-M1079 VanDerWaalsContact O-CG 3.25Å; I1075-M1079 WeakPolarHBondContact O-CG 3.39Å; I1075-M1079 PolarHBondContact O-N 3.1Å; S1076-M1079 PolarHBondContact O-N 2.76Å; M1079-V1082 PolarHBondContact O-N 3.29Å; M1079-T1083 VanDerWaalsContact O-CB 3.28Å; M1079-T1083 WeakPolarHBondContact O-CB 3.42Å; M1079-T1083 PolarHBondContact O-N 3.09Å; M1079-T1083 PolarHBondContact O-OG1 2.97Å
1080E90.6Very high89.1Confident6 Ų66.5 Ų6.53%0.0284%0.04CC..Hα-helixtrans-62.8-43.6173.3-72.2179.5156.300112.1N963 R989 S1076 G1078 T1083 L1084N963-E1080 HydrophobicContact CB-CG 4.49Å; R989-E1080 VanDerWaalsContact CG-OE2 3.29Å; R989-E1080 WeakPolarHBondContact CG-OE2 3.45Å; R989-E1080 IonicContact CZ-OE1 3.56Å; R989-E1080 IonicContact CZ-OE2 2.64Å; R989-E1080 IonicContact NE-OE1 2.89Å; R989-E1080 PolarHBondContact NE-OE1 2.92Å; R989-E1080 IonicContact NE-OE2 3.64Å; R989-E1080 PolarHBondContact NE-OE2 2.82Å; R989-E1080 IonicContact NH2-OE1 2.83Å; R989-E1080 PolarHBondContact NH2-OE1 3.44Å; R989-E1080 IonicContact NH2-OE2 2.94Å; S1076-E1080 WeakPolarHBondContact O-CG 3.26Å; S1076-E1080 PolarHBondContact O-N 3.47Å; G1078-E1080 VanDerWaalsContact C-N 3.34Å; G1078-E1080 PolarHBondContact O-N 2.83Å; E1080-T1083 WeakPolarHBondContact O-CB 3.18Å; E1080-T1083 PolarHBondContact O-N 2.84Å; E1080-L1084 WeakPolarHBondContact O-CB 3.37Å; E1080-L1084 VanDerWaalsContact O-CG 3.3Å; E1080-L1084 WeakPolarHBondContact O-CG 3.36Å; E1080-L1084 PolarHBondContact O-N 2.88Å
1081T90.8Very high88.9Confident9 Ų911.3 Ų11.36%0.0556%0.062CC..Hα-helixtrans-65.7-40.5178.2-57.20000111.1T1077 G1078 L1084 A1085 L1107 A1110 I1111 I1114T1077-T1081 WeakPolarHBondContact O-CB 3.35Å; T1077-T1081 PolarHBondContact O-N 2.79Å; T1077-T1081 VanDerWaalsContact O-N 3.08Å; T1077-T1081 PolarHBondContact O-OG1 2.87Å; G1078-T1081 WeakPolarHBondContact O-CB 3.43Å; G1078-T1081 PolarHBondContact O-N 2.75Å; G1078-T1081 VanDerWaalsContact O-N 3.14Å; T1081-L1084 PolarHBondContact O-N 3.33Å; T1081-A1085 WeakPolarHBondContact O-CB 3.49Å; T1081-A1085 PolarHBondContact O-N 2.83Å; T1081-L1107 HydrophobicContact CG2-CD1 3.67Å; T1081-A1110 HydrophobicContact CG2-CB 3.84Å; T1081-I1111 HydrophobicContact CG2-CG1 3.98Å; T1081-I1114 HydrophobicContact CG2-CD1 4.01Å; T1081-I1114 WeakPolarHBondContact OG1-CD1 3.33Å
1082V92Very high88.7Confident13 Ų1313.1 Ų13.18%0.0797%0.074CC..Hα-helixtrans-62.5-46.4172.4167.70000110.6G1078 M1079 L1084 A1085 V1086 L1143 F1147G1078-V1082 WeakPolarHBondContact O-CG2 3.31Å; G1078-V1082 PolarHBondContact O-N 2.87Å; M1079-V1082 PolarHBondContact O-N 3.29Å; V1082-L1084 VanDerWaalsContact C-N 3.31Å; V1082-L1084 PolarHBondContact O-N 2.69Å; V1082-A1085 PolarHBondContact O-N 3.46Å; V1082-A1085 VanDerWaalsContact O-N 3.14Å; V1082-V1086 HydrophobicContact CG1-CG2 4Å; V1082-V1086 WeakPolarHBondContact O-CB 3.01Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.33Å; V1082-V1086 PolarHBondContact O-N 2.98Å; V1082-L1143 HydrophobicContact CG2-CD1 4.36Å; V1082-F1147 HydrophobicContact CG1-CB 4.3Å; V1082-F1147 HydrophobicContact CG1-CD2 4.15Å; V1082-F1147 HydrophobicContact CG2-CB 4.12Å; V1082-F1147 HydrophobicContact CG2-CD2 4.28Å
1083T91.9Very high88.7Confident0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-58.4-44.1179-62.60000111.2I959 I962 H1034 M1079 E1080 N1087I959-T1083 HydrophobicContact CB-CG2 4.39Å; I959-T1083 HydrophobicContact CG1-CG2 4.36Å; I959-T1083 HydrophobicContact CG2-CG2 4.2Å; I962-T1083 HydrophobicContact CB-CG2 3.83Å; I962-T1083 HydrophobicContact CD1-CG2 3.93Å; I962-T1083 HydrophobicContact CG2-CG2 3.76Å; H1034-T1083 PolarHBondContact NE2-OG1 2.86Å; M1079-T1083 VanDerWaalsContact O-CB 3.28Å; M1079-T1083 WeakPolarHBondContact O-CB 3.42Å; M1079-T1083 PolarHBondContact O-N 3.09Å; M1079-T1083 PolarHBondContact O-OG1 2.97Å; E1080-T1083 WeakPolarHBondContact O-CB 3.18Å; E1080-T1083 PolarHBondContact O-N 2.84Å; T1083-N1087 WeakPolarHBondContact CG2-ND2 3.34Å; T1083-N1087 VanDerWaalsContact O-CB 3.31Å; T1083-N1087 WeakPolarHBondContact O-CB 3.45Å; T1083-N1087 PolarHBondContact O-N 3.37Å; T1083-N1087 VanDerWaalsContact O-N 3.12Å; T1083-N1087 PolarHBondContact O-ND2 3.03Å
1084L90.6Very high88.6Confident6 Ų613.9 Ų13.93%0.0318%0.077CC..Hα-helixtrans-61.7-45.3174.8-75.5163.6000111.9I959 L993 C996 F997 I1000 E1080 T1081 V1082I959-L1084 HydrophobicContact CD1-CD2 4.1Å; I959-L1084 HydrophobicContact CG2-CD2 3.69Å; I959-L1084 HydrophobicContact CG2-CG 4.09Å; L993-L1084 HydrophobicContact CD1-CD1 4Å; L993-L1084 HydrophobicContact CD1-CD2 4.39Å; C996-L1084 HydrophobicContact CB-CD1 3.96Å; C996-L1084 HydrophobicContact CB-CD2 4.31Å; F997-L1084 HydrophobicContact CE1-CD2 4.47Å; I1000-L1084 HydrophobicContact CD1-CD2 3.61Å; E1080-L1084 WeakPolarHBondContact O-CB 3.37Å; E1080-L1084 VanDerWaalsContact O-CG 3.3Å; E1080-L1084 WeakPolarHBondContact O-CG 3.36Å; E1080-L1084 PolarHBondContact O-N 2.88Å; T1081-L1084 PolarHBondContact O-N 3.33Å; V1082-L1084 VanDerWaalsContact C-N 3.31Å; V1082-L1084 PolarHBondContact O-N 2.69Å
1085A89.9Confident88.5Confident19 Ų1916.1 Ų16.116%0.1579%0.088CC..Hα-helixtrans-68.5-44.3-178.700000112.7T1081 V1082 L1107 F1147T1081-A1085 WeakPolarHBondContact O-CB 3.49Å; T1081-A1085 PolarHBondContact O-N 2.83Å; V1082-A1085 PolarHBondContact O-N 3.46Å; V1082-A1085 VanDerWaalsContact O-N 3.14Å; A1085-L1107 HydrophobicContact CB-CD1 4.08Å; A1085-L1107 HydrophobicContact CB-CD2 3.86Å; A1085-F1147 HydrophobicContact CB-CE2 4.47Å
1086V89.9Confident88.4Confident1 Ų117.3 Ų17.31%0.00610%0.096CC..Hα-helixtrans-72-44.5-175.3168.80000111.6V1082 Y1088 F1147 F1151 D1154V1082-V1086 HydrophobicContact CG1-CG2 4Å; V1082-V1086 WeakPolarHBondContact O-CB 3.01Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.33Å; V1082-V1086 PolarHBondContact O-N 2.98Å; V1086-Y1088 PolarHBondContact O-N 3.5Å; V1086-F1147 HydrophobicContact CG2-CD2 4.2Å; V1086-F1147 HydrophobicContact CG2-CE2 4.17Å; V1086-F1151 HydrophobicContact CG2-CB 4.11Å; V1086-D1154 HydrophobicContact CG1-CB 3.82Å
1087N89.8Confident88.1Confident0 Ų018.9 Ų18.90%010%0.104CC..SBendtrans-79.3-3.6-175.3-73.1-63000114.1K958 I959 Q1030 T1083 T1089K958-N1087 PolarHBondContact NZ-OD1 3.29Å; I959-N1087 HydrophobicContact CD1-CB 4.39Å; I959-N1087 HydrophobicContact CG1-CB 3.9Å; Q1030-N1087 PolarHBondContact NE2-OD1 3.31Å; Q1030-N1087 PolarHBondContact OE1-ND2 3.38Å; T1083-N1087 WeakPolarHBondContact CG2-ND2 3.34Å; T1083-N1087 VanDerWaalsContact O-CB 3.31Å; T1083-N1087 WeakPolarHBondContact O-CB 3.45Å; T1083-N1087 PolarHBondContact O-N 3.37Å; T1083-N1087 VanDerWaalsContact O-N 3.12Å; T1083-N1087 PolarHBondContact O-ND2 3.03Å; N1087-T1089 PolarHBondContact O-N 3.05Å
1088Y88.5Confident87.9Confident10 Ų1026.2 Ų26.24%0.03914%0.136CC..  trans-68.3110.8172.6-165.6-92.4000110.3S1003 V1086 M1094 E1095 L1097 N1100 M1103S1003-Y1088 PolarHBondContact OG-OH 3.3Å; V1086-Y1088 PolarHBondContact O-N 3.5Å; Y1088-M1094 HydrophobicContact CD1-CE 3.94Å; Y1088-M1094 HydrophobicContact CD2-CE 3.91Å; Y1088-M1094 HydrophobicContact CE1-CE 3.61Å; Y1088-M1094 HydrophobicContact CE2-CE 3.57Å; Y1088-M1094 HydrophobicContact CE2-SD 4.47Å; Y1088-M1094 HydrophobicContact CG-CE 4.09Å; Y1088-M1094 VanDerWaalsContact CZ-CE 3.43Å; Y1088-E1095 WeakPolarHBondContact CE1-O 3.34Å; Y1088-E1095 PolarHBondContact OH-O 3.01Å; Y1088-L1097 HydrophobicContact CD1-CB 3.93Å; Y1088-L1097 HydrophobicContact CE1-CB 4.19Å; Y1088-N1100 PolarHBondContact OH-ND2 2.83Å; Y1088-M1103 HydrophobicContact CD2-CE 3.78Å; Y1088-M1103 HydrophobicContact CD2-SD 3.44Å; Y1088-M1103 WeakPolarHBondContact CD2-SD 3.34Å; Y1088-M1103 HydrophobicContact CE2-CE 4.38Å; Y1088-M1103 HydrophobicContact CE2-SD 3.43Å; Y1088-M1103 WeakPolarHBondContact CE2-SD 3.31Å; Y1088-M1103 HydrophobicContact CG-CE 4.12Å; Y1088-M1103 HydrophobicContact CG-SD 4.01Å
1089T81.9Confident87.6Confident45 Ų4530.6 Ų30.628%0.27616%0.156SC..  trans-79.2-45.7-169.252.10000113.6V951 Q955 N1087 M1094V951-T1089 HydrophobicContact CG1-CG2 4.5Å; V951-T1089 WeakPolarHBondContact CG1-OG1 3.43Å; Q955-T1089 PolarHBondContact OE1-OG1 3.46Å; N1087-T1089 PolarHBondContact O-N 3.05Å; T1089-M1094 WeakPolarHBondContact OG1-CE 3.5Å
1090G84.7Confident87.2Confident3 Ų331.1 Ų31.13%0.03116%0.159CC..  trans72.6-129.1-179.900000113.7M1094G1090-M1094 CarbonylContact C-O 3.54Å; G1090-M1094 VanDerWaalsContact O-CG 3.29Å; G1090-M1094 WeakPolarHBondContact O-CG 3.49Å; G1090-M1094 PolarHBondContact O-N 2.69Å
1091H84.1Confident87Confident103 Ų10337.9 Ų37.948%0.47719%0.188SC..THydrogen-bonded Turntrans-56.8148.2176-72.1-82000111.8L1006 M1094 E1099L1006-H1091 VanDerWaalsContact CD1-ND1 3.31Å; L1006-H1091 WeakPolarHBondContact CD1-ND1 3.29Å; H1091-M1094 PolarHBondContact N-O 2.78Å; H1091-E1099 IonicContact NE2-OE1 2.69Å; H1091-E1099 IonicContact NE2-OE2 3.19Å
1092P82.7Confident86.9Confident39 Ų3940.5 Ų40.525%0.25321%0.205SC..THydrogen-bonded Turncis-99.115.49.739.1-38.3000114.8L1006 E1012L1006-P1092 VanDerWaalsContact CD1-O 3.29Å; L1006-P1092 WeakPolarHBondContact CD1-O 3.42Å; E1012-P1092 HydrophobicContact CB-CG 4.27Å
1093F86.6Confident86.6Confident24 Ų2440.1 Ų40.111%0.10520%0.202CC..THydrogen-bonded Turntrans-111.7-32.3-172.9-54-69.1000113.7R947 V951 L1006 S1010 E1012 P1014R947-F1093 HydrophobicContact CB-CD1 3.87Å; R947-F1093 HydrophobicContact CB-CG 4.46Å; R947-F1093 HydrophobicContact CG-CD1 4.34Å; V951-F1093 HydrophobicContact CG2-CB 4.09Å; V951-F1093 HydrophobicContact CG2-CD2 3.65Å; V951-F1093 HydrophobicContact CG2-CE2 4.36Å; V951-F1093 HydrophobicContact CG2-CG 4Å; L1006-F1093 PolarHBondContact N-O 3.21Å; S1010-F1093 WeakPolarHBondContact OG-CD1 3.48Å; S1010-F1093 WeakPolarHBondContact OG-CE1 2.99Å; E1012-F1093 HydrophobicContact CB-CZ 4.32Å; E1012-F1093 WeakPolarHBondContact O-CE1 3.42Å; E1012-F1093 WeakPolarHBondContact O-CZ 3.31Å; P1014-F1093 HydrophobicContact CB-CD2 4.48Å; P1014-F1093 HydrophobicContact CB-CE1 4.34Å; P1014-F1093 HydrophobicContact CB-CE2 4.04Å; P1014-F1093 HydrophobicContact CB-CZ 3.97Å; P1014-F1093 HydrophobicContact CG-CE1 4.39Å; P1014-F1093 HydrophobicContact CG-CZ 4.42Å
1094M86.4Confident86.4Confident0 Ų042 Ų420%021%0.212CC..BIsolated β-bridgetrans-131.6164.7-179.666179.5-166.400111V951 K1004 Y1088 T1089 G1090 H1091V951-M1094 HydrophobicContact CG1-SD 4.49Å; K1004-M1094 WeakPolarHBondContact O-CA 3.44Å; Y1088-M1094 HydrophobicContact CD1-CE 3.94Å; Y1088-M1094 HydrophobicContact CD2-CE 3.91Å; Y1088-M1094 HydrophobicContact CE1-CE 3.61Å; Y1088-M1094 HydrophobicContact CE2-CE 3.57Å; Y1088-M1094 HydrophobicContact CE2-SD 4.47Å; Y1088-M1094 HydrophobicContact CG-CE 4.09Å; Y1088-M1094 VanDerWaalsContact CZ-CE 3.43Å; T1089-M1094 WeakPolarHBondContact OG1-CE 3.5Å; G1090-M1094 CarbonylContact C-O 3.54Å; G1090-M1094 VanDerWaalsContact O-CG 3.29Å; G1090-M1094 WeakPolarHBondContact O-CG 3.49Å; G1090-M1094 PolarHBondContact O-N 2.69Å; H1091-M1094 PolarHBondContact N-O 2.78Å
1095E87.1Confident86.3Confident49 Ų4946.8 Ų46.823%0.22924%0.237CC..  trans-54.4145172.9-72.7178.7176.900111K1004 Y1088 E1099K1004-E1095 HydrophobicContact CB-CG 4.27Å; K1004-E1095 PolarHBondContact O-N 3.4Å; K1004-E1095 VanDerWaalsContact O-N 3.14Å; Y1088-E1095 WeakPolarHBondContact CE1-O 3.34Å; Y1088-E1095 PolarHBondContact OH-O 3.01Å; E1095-E1099 VanDerWaalsContact CA-OE2 3.28Å; E1095-E1099 WeakPolarHBondContact CA-OE2 3.13Å; E1095-E1099 HydrophobicContact CB-CB 3.93Å; E1095-E1099 HydrophobicContact CG-CB 4.35Å
1096S87.5Confident86.2Confident26 Ų2646.6 Ų46.618%0.18223%0.234CC..  trans-70.7164.4175.670.20000111.9F1098 E1099 N1100S1096-F1098 PolarHBondContact O-N 3.23Å; S1096-F1098 VanDerWaalsContact O-N 3.12Å; S1096-E1099 PolarHBondContact N-OE2 2.84Å; S1096-E1099 PolarHBondContact O-N 2.9Å; S1096-E1099 WeakPolarHBondContact OG-CG 3.47Å; S1096-N1100 PolarHBondContact O-N 3.47Å
1097L83.4Confident86.1Confident32 Ų3247 Ų4717%0.16824%0.236CC..THydrogen-bonded Turntrans-52.9-36.2176.818065.3000112.1Y1088 M1103 L1104 L1107Y1088-L1097 HydrophobicContact CD1-CB 3.93Å; Y1088-L1097 HydrophobicContact CE1-CB 4.19Å; L1097-M1103 HydrophobicContact CD1-CE 3.29Å; L1097-M1103 HydrophobicContact CD1-CG 4.29Å; L1097-M1103 HydrophobicContact CD1-SD 3.11Å; L1097-M1103 WeakPolarHBondContact CD1-SD 3.27Å; L1097-L1104 HydrophobicContact CG-CD1 4.25Å; L1097-L1107 HydrophobicContact CD1-CD2 4.24Å; L1097-L1107 HydrophobicContact CD2-CD2 3.95Å
1098F84.5Confident86.1Confident164 Ų16450.7 Ų50.772%0.71926%0.256SS*.THydrogen-bonded Turntrans-76.6-25.1-179-64.1-73.9000113.5S1096S1096-F1098 PolarHBondContact O-N 3.23Å; S1096-F1098 VanDerWaalsContact O-N 3.12Å
1099E83.8Confident86.1Confident93 Ų9354.5 Ų54.544%0.43528%0.279SS..THydrogen-bonded Turntrans-81.3-36.1175.6-69.6170.2160.500110.9H1091 E1095 S1096 K1101H1091-E1099 IonicContact NE2-OE1 2.69Å; H1091-E1099 IonicContact NE2-OE2 3.19Å; E1095-E1099 VanDerWaalsContact CA-OE2 3.28Å; E1095-E1099 WeakPolarHBondContact CA-OE2 3.13Å; E1095-E1099 HydrophobicContact CB-CB 3.93Å; E1095-E1099 HydrophobicContact CG-CB 4.35Å; S1096-E1099 PolarHBondContact N-OE2 2.84Å; S1096-E1099 PolarHBondContact O-N 2.9Å; S1096-E1099 WeakPolarHBondContact OG-CG 3.47Å; E1099-K1101 VanDerWaalsContact C-N 3.34Å; E1099-K1101 PolarHBondContact O-N 3.08Å
1100N84Confident86.3Confident11 Ų1152.7 Ų52.76%0.05927%0.269CS..  trans-78.476.8177.3-169.2-7.5000112.1S1003 Y1088 S1096 P1102 M1103 L1104S1003-N1100 PolarHBondContact OG-ND2 2.91Å; Y1088-N1100 PolarHBondContact OH-ND2 2.83Å; S1096-N1100 PolarHBondContact O-N 3.47Å; N1100-P1102 WeakPolarHBondContact OD1-CD 2.96Å; N1100-M1103 HydrophobicContact CB-CB 4.35Å; N1100-M1103 PolarHBondContact O-N 3.29Å; N1100-L1104 PolarHBondContact O-N 2.98Å
1101K87.5Confident86.5Confident149 Ų14956.3 Ų56.365%0.64829%0.287SS*.Hα-helixtrans-51.4-45.3-178.3-62.2179.5-178.1-179.80114.4E1099 M1103 L1104 I1105E1099-K1101 VanDerWaalsContact C-N 3.34Å; E1099-K1101 PolarHBondContact O-N 3.08Å; K1101-M1103 PolarHBondContact O-N 2.75Å; K1101-L1104 PolarHBondContact O-N 3.48Å; K1101-I1105 WeakPolarHBondContact O-CB 3.17Å; K1101-I1105 WeakPolarHBondContact O-CG1 3.46Å; K1101-I1105 PolarHBondContact O-N 2.86Å
1102P87.1Confident86.8Confident64 Ų6455.5 Ų55.542%0.41629%0.285SS..Hα-helixtrans-58.3-46.1178.4-25.934.1000113.6F999 N1100 I1105 S1106F999-P1102 HydrophobicContact CD1-CB 3.59Å; F999-P1102 HydrophobicContact CE1-CB 3.94Å; F999-P1102 HydrophobicContact CG-CB 4.15Å; N1100-P1102 WeakPolarHBondContact OD1-CD 2.96Å; P1102-I1105 PolarHBondContact O-N 3.08Å; P1102-S1106 PolarHBondContact O-N 2.8Å; P1102-S1106 PolarHBondContact O-OG 2.82Å
1103M86.3Confident86.9Confident4 Ų455 Ų552%0.0229%0.287CS..Hα-helixtrans-68.7-38.4178.6-171.1-138.4157.300111.5F999 I1000 Y1088 L1097 N1100 K1101 I1105 S1106 L1107F999-M1103 HydrophobicContact CB-CB 4.13Å; I1000-M1103 HydrophobicContact CG1-CG 4.41Å; Y1088-M1103 HydrophobicContact CD2-CE 3.78Å; Y1088-M1103 HydrophobicContact CD2-SD 3.44Å; Y1088-M1103 WeakPolarHBondContact CD2-SD 3.34Å; Y1088-M1103 HydrophobicContact CE2-CE 4.38Å; Y1088-M1103 HydrophobicContact CE2-SD 3.43Å; Y1088-M1103 WeakPolarHBondContact CE2-SD 3.31Å; Y1088-M1103 HydrophobicContact CG-CE 4.12Å; Y1088-M1103 HydrophobicContact CG-SD 4.01Å; L1097-M1103 HydrophobicContact CD1-CE 3.29Å; L1097-M1103 HydrophobicContact CD1-CG 4.29Å; L1097-M1103 HydrophobicContact CD1-SD 3.11Å; L1097-M1103 WeakPolarHBondContact CD1-SD 3.27Å; N1100-M1103 HydrophobicContact CB-CB 4.35Å; N1100-M1103 PolarHBondContact O-N 3.29Å; K1101-M1103 PolarHBondContact O-N 2.75Å; M1103-I1105 VanDerWaalsContact C-N 3.35Å; M1103-I1105 PolarHBondContact O-N 3.34Å; M1103-S1106 WeakPolarHBondContact CA-OG 3.37Å; M1103-S1106 PolarHBondContact O-N 3.39Å; M1103-S1106 PolarHBondContact O-OG 3.05Å; M1103-L1107 VanDerWaalsContact O-CB 3.3Å; M1103-L1107 WeakPolarHBondContact O-CB 3.4Å; M1103-L1107 PolarHBondContact O-N 3.08Å
1104L87.9Confident86.9Confident40 Ų4054.2 Ų54.221%0.20928%0.284CS..Hα-helixtrans-61.5-44175.1-176.165.4000111.3L1097 N1100 K1101 L1107 I1108L1097-L1104 HydrophobicContact CG-CD1 4.25Å; N1100-L1104 PolarHBondContact O-N 2.98Å; K1101-L1104 PolarHBondContact O-N 3.48Å; L1104-L1107 PolarHBondContact O-N 2.9Å; L1104-I1108 HydrophobicContact CD1-CD1 4.13Å; L1104-I1108 HydrophobicContact CD1-CG1 4.44Å; L1104-I1108 HydrophobicContact CD2-CD1 4.46Å; L1104-I1108 HydrophobicContact CG-CD1 3.81Å; L1104-I1108 HydrophobicContact CG-CG1 4.48Å; L1104-I1108 WeakPolarHBondContact O-CB 3.46Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.28Å; L1104-I1108 PolarHBondContact O-N 3.34Å
1105I89.4Confident86.9Confident106 Ų10657.1 Ų57.154%0.54430%0.301SS..Hα-helixtrans-64.1-45.5177.5-67.4164.5000110.5K1101 P1102 M1103 L1107 I1108 V1109K1101-I1105 WeakPolarHBondContact O-CB 3.17Å; K1101-I1105 WeakPolarHBondContact O-CG1 3.46Å; K1101-I1105 PolarHBondContact O-N 2.86Å; P1102-I1105 PolarHBondContact O-N 3.08Å; M1103-I1105 VanDerWaalsContact C-N 3.35Å; M1103-I1105 PolarHBondContact O-N 3.34Å; I1105-L1107 VanDerWaalsContact C-N 3.31Å; I1105-L1107 PolarHBondContact O-N 2.9Å; I1105-I1108 PolarHBondContact O-N 2.85Å; I1105-V1109 HydrophobicContact CG2-CG2 4.4Å; I1105-V1109 VanDerWaalsContact O-CG2 3.29Å; I1105-V1109 WeakPolarHBondContact O-CG2 3.43Å; I1105-V1109 PolarHBondContact O-N 2.98Å
1106S87Confident86.8Confident15 Ų1557.9 Ų57.911%0.10531%0.306CS..Hα-helixtrans-62.8-39.2178.162.80000112.1P1102 M1103 V1109 A1110P1102-S1106 PolarHBondContact O-N 2.8Å; P1102-S1106 PolarHBondContact O-OG 2.82Å; M1103-S1106 WeakPolarHBondContact CA-OG 3.37Å; M1103-S1106 PolarHBondContact O-N 3.39Å; M1103-S1106 PolarHBondContact O-OG 3.05Å; S1106-V1109 PolarHBondContact O-N 3.17Å; S1106-A1110 PolarHBondContact O-N 3.44Å
1107L87.9Confident86.7Confident10 Ų1058 Ų585%0.05231%0.305CS..Hα-helixtrans-67.4-42.4176.5-172.571.2000111.6T1081 A1085 L1097 M1103 L1104 I1105 V1109 A1110 I1111T1081-L1107 HydrophobicContact CG2-CD1 3.67Å; A1085-L1107 HydrophobicContact CB-CD1 4.08Å; A1085-L1107 HydrophobicContact CB-CD2 3.86Å; L1097-L1107 HydrophobicContact CD1-CD2 4.24Å; L1097-L1107 HydrophobicContact CD2-CD2 3.95Å; M1103-L1107 VanDerWaalsContact O-CB 3.3Å; M1103-L1107 WeakPolarHBondContact O-CB 3.4Å; M1103-L1107 PolarHBondContact O-N 3.08Å; L1104-L1107 PolarHBondContact O-N 2.9Å; I1105-L1107 VanDerWaalsContact C-N 3.31Å; I1105-L1107 PolarHBondContact O-N 2.9Å; L1107-V1109 VanDerWaalsContact C-N 3.33Å; L1107-V1109 PolarHBondContact O-N 2.82Å; L1107-A1110 WeakPolarHBondContact O-CB 3.05Å; L1107-A1110 PolarHBondContact O-N 3.46Å; L1107-I1111 HydrophobicContact CD2-CD1 4.43Å; L1107-I1111 HydrophobicContact CG-CD1 3.93Å; L1107-I1111 WeakPolarHBondContact O-CB 3.49Å; L1107-I1111 VanDerWaalsContact O-CG1 3.23Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.38Å; L1107-I1111 PolarHBondContact O-N 2.97Å
1108I89.5Confident86.6Confident78 Ų7856.7 Ų56.740%0.430%0.298SS..Hα-helixtrans-62-42.7175.2-71.8167.5000110.5L1104 I1105 A1110 I1111 I1112L1104-I1108 HydrophobicContact CD1-CD1 4.13Å; L1104-I1108 HydrophobicContact CD1-CG1 4.44Å; L1104-I1108 HydrophobicContact CD2-CD1 4.46Å; L1104-I1108 HydrophobicContact CG-CD1 3.81Å; L1104-I1108 HydrophobicContact CG-CG1 4.48Å; L1104-I1108 WeakPolarHBondContact O-CB 3.46Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.28Å; L1104-I1108 PolarHBondContact O-N 3.34Å; I1105-I1108 PolarHBondContact O-N 2.85Å; I1108-A1110 VanDerWaalsContact C-N 3.35Å; I1108-A1110 PolarHBondContact O-N 3.13Å; I1108-I1111 PolarHBondContact O-N 2.77Å; I1108-I1112 HydrophobicContact CG2-CD1 3.52Å; I1108-I1112 HydrophobicContact CG2-CG1 4.16Å; I1108-I1112 WeakPolarHBondContact O-CB 3.32Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.44Å; I1108-I1112 PolarHBondContact O-N 3.18Å
1109V88.2Confident86.4Confident89 Ų8954.5 Ų54.554%0.53929%0.288SS..Hα-helixtrans-61.7-42.8175.8170.40000111.1I1105 S1106 L1107 I1112 G1113I1105-V1109 HydrophobicContact CG2-CG2 4.4Å; I1105-V1109 VanDerWaalsContact O-CG2 3.29Å; I1105-V1109 WeakPolarHBondContact O-CG2 3.43Å; I1105-V1109 PolarHBondContact O-N 2.98Å; S1106-V1109 PolarHBondContact O-N 3.17Å; L1107-V1109 VanDerWaalsContact C-N 3.33Å; L1107-V1109 PolarHBondContact O-N 2.82Å; V1109-I1112 PolarHBondContact O-N 2.9Å; V1109-G1113 PolarHBondContact O-N 3.42Å
1110A87.4Confident85.8Confident7 Ų751.4 Ų51.46%0.05828%0.281CS..Hα-helixtrans-61.1-47.8175.200000111.8L992 T1081 S1106 L1107 I1108 G1113 I1114L992-A1110 HydrophobicContact CD1-CB 4.18Å; L992-A1110 HydrophobicContact CD2-CB 4.08Å; T1081-A1110 HydrophobicContact CG2-CB 3.84Å; S1106-A1110 PolarHBondContact O-N 3.44Å; L1107-A1110 WeakPolarHBondContact O-CB 3.05Å; L1107-A1110 PolarHBondContact O-N 3.46Å; I1108-A1110 VanDerWaalsContact C-N 3.35Å; I1108-A1110 PolarHBondContact O-N 3.13Å; A1110-G1113 PolarHBondContact O-N 2.97Å; A1110-I1114 WeakPolarHBondContact O-CD1 3.36Å; A1110-I1114 WeakPolarHBondContact O-CG1 3.13Å; A1110-I1114 PolarHBondContact O-N 3.24Å
1111I89Confident85Confident80 Ų8053.8 Ų53.841%0.4130%0.297SS..Hα-helixtrans-62.4-45.9178.6-67.5165.6000110.9T1081 L1107 I1108 G1113 I1114 V1115T1081-I1111 HydrophobicContact CG2-CG1 3.98Å; L1107-I1111 HydrophobicContact CD2-CD1 4.43Å; L1107-I1111 HydrophobicContact CG-CD1 3.93Å; L1107-I1111 WeakPolarHBondContact O-CB 3.49Å; L1107-I1111 VanDerWaalsContact O-CG1 3.23Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.38Å; L1107-I1111 PolarHBondContact O-N 2.97Å; I1108-I1111 PolarHBondContact O-N 2.77Å; I1111-G1113 VanDerWaalsContact C-N 3.29Å; I1111-G1113 PolarHBondContact O-N 2.8Å; I1111-I1114 PolarHBondContact O-N 2.87Å; I1111-V1115 HydrophobicContact CG2-CG2 4.43Å; I1111-V1115 VanDerWaalsContact O-CG2 3.3Å; I1111-V1115 WeakPolarHBondContact O-CG2 3.38Å; I1111-V1115 PolarHBondContact O-N 2.96Å
1112I88.8Confident84.1Confident86 Ų8654.2 Ų54.244%0.44130%0.299SS..Hα-helixtrans-60.2-42.6176.4-71.5171.1000110I1108 V1109 V1115 I1116I1108-I1112 HydrophobicContact CG2-CD1 3.52Å; I1108-I1112 HydrophobicContact CG2-CG1 4.16Å; I1108-I1112 WeakPolarHBondContact O-CB 3.32Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.44Å; I1108-I1112 PolarHBondContact O-N 3.18Å; V1109-I1112 PolarHBondContact O-N 2.9Å; I1112-V1115 PolarHBondContact O-N 2.85Å; I1112-I1116 HydrophobicContact CG2-CD1 3.42Å; I1112-I1116 VanDerWaalsContact CG2-CD1 3.42Å; I1112-I1116 HydrophobicContact CG2-CG1 4.16Å; I1112-I1116 WeakPolarHBondContact O-CB 3.46Å; I1112-I1116 VanDerWaalsContact O-CG1 3.24Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.31Å; I1112-I1116 PolarHBondContact O-N 3.05Å
1113G85.4Confident83.2Confident27 Ų2751.5 Ų51.528%0.27828%0.283SS..Hα-helixtrans-57.1-51.9174.100000112.2V1109 A1110 I1111 V1115 I1116 L1117V1109-G1113 PolarHBondContact O-N 3.42Å; A1110-G1113 PolarHBondContact O-N 2.97Å; I1111-G1113 VanDerWaalsContact C-N 3.29Å; I1111-G1113 PolarHBondContact O-N 2.8Å; G1113-V1115 VanDerWaalsContact C-N 3.26Å; G1113-V1115 PolarHBondContact O-N 2.88Å; G1113-I1116 PolarHBondContact O-N 2.88Å; G1113-L1117 WeakPolarHBondContact O-CB 3.47Å; G1113-L1117 WeakPolarHBondContact O-CG 3.39Å; G1113-L1117 PolarHBondContact O-N 2.81Å
1114I86.4Confident82.4Confident9 Ų958.6 Ų58.65%0.04632%0.32CS..Hα-helixtrans-61.4-34.5179.3-65.9156000112T1077 T1081 A1110 I1111 P1118 F1139 L1143T1077-I1114 HydrophobicContact CG2-CD1 4.39Å; T1077-I1114 HydrophobicContact CG2-CG1 4.19Å; T1081-I1114 HydrophobicContact CG2-CD1 4.01Å; T1081-I1114 WeakPolarHBondContact OG1-CD1 3.33Å; A1110-I1114 WeakPolarHBondContact O-CD1 3.36Å; A1110-I1114 WeakPolarHBondContact O-CG1 3.13Å; A1110-I1114 PolarHBondContact O-N 3.24Å; I1111-I1114 PolarHBondContact O-N 2.87Å; I1114-P1118 WeakPolarHBondContact O-CD 3.43Å; I1114-P1118 WeakPolarHBondContact O-CG 3.29Å; I1114-F1139 HydrophobicContact CG2-CE1 4.3Å; I1114-F1139 HydrophobicContact CG2-CZ 4.06Å; I1114-L1143 HydrophobicContact CG2-CD2 3.88Å
1115V86.3Confident81.7Confident60 Ų6060.1 Ų60.136%0.36434%0.339SS..Hα-helixtrans-75.8-37.4177.9174.10000111.6I1111 I1112 G1113 F1119 F1140I1111-V1115 HydrophobicContact CG2-CG2 4.43Å; I1111-V1115 VanDerWaalsContact O-CG2 3.3Å; I1111-V1115 WeakPolarHBondContact O-CG2 3.38Å; I1111-V1115 PolarHBondContact O-N 2.96Å; I1112-V1115 PolarHBondContact O-N 2.85Å; G1113-V1115 VanDerWaalsContact C-N 3.26Å; G1113-V1115 PolarHBondContact O-N 2.88Å; V1115-F1119 HydrophobicContact CG1-CE2 4.32Å; V1115-F1119 WeakPolarHBondContact O-CD2 3.41Å; V1115-F1119 WeakPolarHBondContact O-CE2 3.46Å; V1115-F1140 HydrophobicContact CB-CE1 4.45Å; V1115-F1140 HydrophobicContact CG1-CE1 4.35Å; V1115-F1140 HydrophobicContact CG1-CZ 4.38Å; V1115-F1140 HydrophobicContact CG2-CE1 4.22Å
1116I86.3Confident80.8Confident66 Ų6655.8 Ų55.834%0.33832%0.317SS..Hα-helixtrans-77.7-41.9-176.9-70.5176.4000112.3I1112 G1113 F1119 P1121I1112-I1116 HydrophobicContact CG2-CD1 3.42Å; I1112-I1116 VanDerWaalsContact CG2-CD1 3.42Å; I1112-I1116 HydrophobicContact CG2-CG1 4.16Å; I1112-I1116 WeakPolarHBondContact O-CB 3.46Å; I1112-I1116 VanDerWaalsContact O-CG1 3.24Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.31Å; I1112-I1116 PolarHBondContact O-N 3.05Å; G1113-I1116 PolarHBondContact O-N 2.88Å; I1116-F1119 WeakPolarHBondContact O-CB 3.37Å; I1116-F1119 PolarHBondContact O-N 2.68Å; I1116-P1121 HydrophobicContact CG2-CB 3.75Å; I1116-P1121 HydrophobicContact CG2-CG 3.73Å
1117L84.4Confident80Confident28 Ų2859.3 Ų59.315%0.14733%0.331CS..G310 helixtrans-54.7-41.3-174-71.9169.9000114.3L1074 G1113 F1119 G1120 F1122 L1126 L1128L1074-L1117 HydrophobicContact CD2-CB 3.64Å; L1074-L1117 HydrophobicContact CD2-CD1 4.06Å; G1113-L1117 WeakPolarHBondContact O-CB 3.47Å; G1113-L1117 WeakPolarHBondContact O-CG 3.39Å; G1113-L1117 PolarHBondContact O-N 2.81Å; L1117-F1119 PolarHBondContact O-N 3.49Å; L1117-G1120 PolarHBondContact O-N 2.96Å; L1117-G1120 VanDerWaalsContact O-N 3.13Å; L1117-F1122 HydrophobicContact CD2-CB 4.42Å; L1117-L1126 HydrophobicContact CD1-CD1 4.1Å; L1117-L1126 HydrophobicContact CD2-CD1 3.32Å; L1117-L1126 HydrophobicContact CG-CD1 4.36Å; L1117-L1128 HydrophobicContact CB-CD1 4.43Å; L1117-L1128 HydrophobicContact CD2-CD1 4.13Å
1118P81.5Confident79.5Confident4 Ų459.4 Ų59.43%0.02633%0.332CS..G310 helixtrans-57.7-26.2173-27.634.8000114.9L1074 I1114 G1120 L1131 R1136 F1139 F1140L1074-P1118 HydrophobicContact CD1-CG 4.14Å; L1074-P1118 HydrophobicContact CD2-CG 4.48Å; I1114-P1118 WeakPolarHBondContact O-CD 3.43Å; I1114-P1118 WeakPolarHBondContact O-CG 3.29Å; P1118-G1120 VanDerWaalsContact C-N 3.33Å; P1118-L1131 HydrophobicContact CB-CD1 4.12Å; P1118-R1136 HydrophobicContact CB-CG 4.18Å; P1118-R1136 WeakPolarHBondContact O-CD 3.27Å; P1118-F1139 HydrophobicContact CG-CD1 4.21Å; P1118-F1139 HydrophobicContact CG-CE1 3.92Å; P1118-F1140 HydrophobicContact CB-CZ 4.37Å; P1118-F1140 HydrophobicContact CG-CZ 4.19Å
1119F81Confident78.9Confident119 Ų11957.8 Ų57.852%0.52233%0.326SS..G310 helixtrans-80.4-12.5179.7-68-83.6000113.4V1115 I1116 L1117 F1140V1115-F1119 HydrophobicContact CG1-CE2 4.32Å; V1115-F1119 WeakPolarHBondContact O-CD2 3.41Å; V1115-F1119 WeakPolarHBondContact O-CE2 3.46Å; I1116-F1119 WeakPolarHBondContact O-CB 3.37Å; I1116-F1119 PolarHBondContact O-N 2.68Å; L1117-F1119 PolarHBondContact O-N 3.49Å; F1119-F1140 HydrophobicContact CE2-CE2 4.3Å; F1119-F1140 HydrophobicContact CE2-CZ 4.05Å; F1119-F1140 HydrophobicContact CZ-CE2 4.33Å
1120G70.3Confident78.2Confident27 Ų2757.8 Ų57.828%0.27833%0.33SS..SBendtrans105.9-20.9178.600000118L1117 P1118 F1122 A1123L1117-G1120 PolarHBondContact O-N 2.96Å; L1117-G1120 VanDerWaalsContact O-N 3.13Å; P1118-G1120 VanDerWaalsContact C-N 3.33Å; G1120-F1122 PolarHBondContact O-N 2.83Å; G1120-A1123 VanDerWaalsContact O-CB 3.25Å; G1120-A1123 WeakPolarHBondContact O-CB 3.4Å; G1120-A1123 PolarHBondContact O-N 3.26Å
1121P68.2Low77.8Confident61 Ų6158 Ų5840%0.39633%0.33SS..THydrogen-bonded Turntrans-59.9127.6174.7-19.930.8000110I1116 A1123I1116-P1121 HydrophobicContact CG2-CB 3.75Å; I1116-P1121 HydrophobicContact CG2-CG 3.73Å; P1121-A1123 VanDerWaalsContact C-N 3.27Å; P1121-A1123 PolarHBondContact O-N 3.19Å
1122F68.9Low77.4Confident158 Ų15858.7 Ų58.769%0.69333%0.334SS*.THydrogen-bonded Turntrans706.8-175.4-48.5-80.9000116.4L1117 G1120 D1124 A1125 L1126L1117-F1122 HydrophobicContact CD2-CB 4.42Å; G1120-F1122 PolarHBondContact O-N 2.83Å; F1122-D1124 VanDerWaalsContact C-N 3.31Å; F1122-D1124 PolarHBondContact O-N 3.09Å; F1122-A1125 PolarHBondContact O-N 3.36Å; F1122-L1126 PolarHBondContact O-N 2.92Å
1123A68.1Low77.1Confident8 Ų862 Ų627%0.06634%0.342CS..THydrogen-bonded Turntrans-58.6-41.2178.200000112.3G1120 P1121 A1125 L1126 Q1127 L1128G1120-A1123 VanDerWaalsContact O-CB 3.25Å; G1120-A1123 WeakPolarHBondContact O-CB 3.4Å; G1120-A1123 PolarHBondContact O-N 3.26Å; P1121-A1123 VanDerWaalsContact C-N 3.27Å; P1121-A1123 PolarHBondContact O-N 3.19Å; A1123-A1125 PolarHBondContact O-N 3.2Å; A1123-L1126 CarbonylContact O-C 3.5Å; A1123-L1126 PolarHBondContact O-N 2.81Å; A1123-Q1127 WeakPolarHBondContact O-CA 3.48Å; A1123-Q1127 PolarHBondContact O-N 2.83Å; A1123-L1128 HydrophobicContact CB-CB 4.1Å; A1123-L1128 PolarHBondContact O-N 2.9Å
1124D68.6Low77.1Confident152 Ų15265.6 Ų65.681%0.81336%0.355SS*.THydrogen-bonded Turntrans-63.3-39.8179.4-61.9-29000112.7F1122 L1126 Q1127F1122-D1124 VanDerWaalsContact C-N 3.31Å; F1122-D1124 PolarHBondContact O-N 3.09Å; D1124-L1126 VanDerWaalsContact C-N 3.28Å; D1124-L1126 PolarHBondContact O-N 3.2Å; D1124-Q1127 PolarHBondContact O-N 3.39Å
1125A72.9Confident77Confident73 Ų7365.2 Ų65.260%0.60335%0.353SS*.THydrogen-bonded Turntrans-66.8-32178.900000112.2F1122 A1123F1122-A1125 PolarHBondContact O-N 3.36Å; A1123-A1125 PolarHBondContact O-N 3.2Å
1126L70.1Confident77Confident15 Ų1565.1 Ų65.18%0.07935%0.347CS..THydrogen-bonded Turntrans-95.52.3176.6-78.4160.7000113.2Q985 I988 L1117 F1122 A1123 D1124 L1128Q985-L1126 HydrophobicContact CG-CD2 4.4Å; Q985-L1126 PolarHBondContact NE2-O 3.32Å; I988-L1126 HydrophobicContact CD1-CD2 3.5Å; I988-L1126 VanDerWaalsContact CD1-CD2 3.5Å; I988-L1126 HydrophobicContact CD1-CG 4.39Å; L1117-L1126 HydrophobicContact CD1-CD1 4.1Å; L1117-L1126 HydrophobicContact CD2-CD1 3.32Å; L1117-L1126 HydrophobicContact CG-CD1 4.36Å; F1122-L1126 PolarHBondContact O-N 2.92Å; A1123-L1126 CarbonylContact O-C 3.5Å; A1123-L1126 PolarHBondContact O-N 2.81Å; D1124-L1126 VanDerWaalsContact C-N 3.28Å; D1124-L1126 PolarHBondContact O-N 3.2Å; L1126-L1128 VanDerWaalsContact C-N 3.31Å; L1126-L1128 HydrophobicContact CB-CD1 3.68Å; L1126-L1128 HydrophobicContact CB-CG 3.77Å; L1126-L1128 HydrophobicContact CD1-CD1 4.07Å; L1126-L1128 PolarHBondContact O-N 3.29Å
1127Q71.4Confident77.1Confident88 Ų8864.7 Ų64.741%0.41134%0.344SS..THydrogen-bonded Turntrans5048.5-174.5-54.8173.2-29.900112.6F1063 P1065 A1123 D1124F1063-Q1127 HydrophobicContact CE1-CB 3.73Å; F1063-Q1127 HydrophobicContact CE1-CG 4.46Å; F1063-Q1127 HydrophobicContact CZ-CB 4.34Å; P1065-Q1127 VanDerWaalsContact CB-O 3.32Å; P1065-Q1127 WeakPolarHBondContact CB-O 2.99Å; A1123-Q1127 WeakPolarHBondContact O-CA 3.48Å; A1123-Q1127 PolarHBondContact O-N 2.83Å; D1124-Q1127 PolarHBondContact O-N 3.39Å
1128L76.8Confident77.4Confident13 Ų1366.2 Ų66.27%0.06835%0.35CS..PPolyproline II helixtrans-100.9149.9178.1-61.4168.2000110.8T1070 Y1073 L1117 A1123 L1126T1070-L1128 HydrophobicContact CG2-CB 3.98Å; T1070-L1128 HydrophobicContact CG2-CD2 3.87Å; T1070-L1128 HydrophobicContact CG2-CG 4.43Å; Y1073-L1128 HydrophobicContact CD1-CD1 4.4Å; Y1073-L1128 HydrophobicContact CD1-CD2 3.7Å; Y1073-L1128 HydrophobicContact CE1-CD1 4.39Å; Y1073-L1128 HydrophobicContact CE1-CD2 4.34Å; Y1073-L1128 HydrophobicContact CG-CD2 4.38Å; L1117-L1128 HydrophobicContact CB-CD1 4.43Å; L1117-L1128 HydrophobicContact CD2-CD1 4.13Å; A1123-L1128 HydrophobicContact CB-CB 4.1Å; A1123-L1128 PolarHBondContact O-N 2.9Å; L1126-L1128 VanDerWaalsContact C-N 3.31Å; L1126-L1128 HydrophobicContact CB-CD1 3.68Å; L1126-L1128 HydrophobicContact CB-CG 3.77Å; L1126-L1128 HydrophobicContact CD1-CD1 4.07Å; L1126-L1128 PolarHBondContact O-N 3.29Å
1129V76.1Confident77.8Confident44 Ų4466 Ų6627%0.26735%0.348SS..PPolyproline II helixtrans-90.1136.7173.7-177.30000109.6P1065 I1067 T1070 L1131P1065-V1129 HydrophobicContact CB-CG2 3.92Å; P1065-V1129 WeakPolarHBondContact O-CG2 3.45Å; I1067-V1129 HydrophobicContact CG1-CG1 4.23Å; T1070-V1129 WeakPolarHBondContact CG2-O 3.46Å; T1070-V1129 PolarHBondContact OG1-N 2.82Å; V1129-L1131 PolarHBondContact O-N 3.08Å
1130S74.2Confident78.3Confident89 Ų8962.7 Ų62.762%0.62233%0.334SS*.PPolyproline II helixtrans-62.3128.3173.355.80000111
1131L78.7Confident79.3Confident10 Ų1068.2 Ų68.25%0.05235%0.35CS..PPolyproline II helixtrans-85.3140.3-178.4-63.6174.3000112I1067 T1070 L1071 L1074 P1118 V1129 L1135 R1136I1067-L1131 HydrophobicContact CG2-CD2 4.4Å; T1070-L1131 HydrophobicContact CG2-CD2 4.24Å; T1070-L1131 HydrophobicContact CG2-CG 4.42Å; L1071-L1131 HydrophobicContact CD2-CD1 3.84Å; L1071-L1131 HydrophobicContact CD2-CD2 3.69Å; L1071-L1131 HydrophobicContact CD2-CG 4.46Å; L1071-L1131 HydrophobicContact CG-CD2 3.95Å; L1074-L1131 HydrophobicContact CD1-CD1 3.73Å; P1118-L1131 HydrophobicContact CB-CD1 4.12Å; V1129-L1131 PolarHBondContact O-N 3.08Å; L1131-L1135 HydrophobicContact CD2-CD2 3.69Å; L1131-L1135 HydrophobicContact CD2-CG 4.29Å; L1131-R1136 HydrophobicContact CB-CG 3.5Å; L1131-R1136 HydrophobicContact CD1-CG 4.32Å; L1131-R1136 WeakPolarHBondContact O-CD 3.46Å; L1131-R1136 PolarHBondContact O-NE 3.06Å
1132D81.8Confident80.5Confident95 Ų9565.7 Ų65.751%0.50833%0.334SS..PPolyproline II helixtrans-59.4157.3172.9-65.1-29000112.2D1134 L1135 R1136D1132-D1134 PolarHBondContact O-N 3.26Å; D1132-L1135 HydrophobicContact CB-CB 4.27Å; D1132-L1135 PolarHBondContact O-N 2.94Å; D1132-R1136 WeakPolarHBondContact O-CB 3.36Å; D1132-R1136 VanDerWaalsContact O-CG 3.29Å; D1132-R1136 WeakPolarHBondContact O-CG 3.21Å; D1132-R1136 PolarHBondContact O-N 2.97Å; D1132-R1136 PolarHBondContact O-NE 3.14Å
1133Y82.8Confident81.5Confident156 Ų15659.4 Ų59.461%0.61231%0.307SS*.Hα-helixtrans-56.4-48.8-179.7-178.2-103.2000113.1L1135 R1136 I1137Y1133-L1135 VanDerWaalsContact C-N 3.33Å; Y1133-L1135 PolarHBondContact O-N 3.38Å; Y1133-R1136 PolarHBondContact O-N 2.85Å; Y1133-I1137 HydrophobicContact CD1-CD1 3.83Å; Y1133-I1137 HydrophobicContact CE1-CD1 3.25Å; Y1133-I1137 HydrophobicContact CE1-CG1 4.41Å; Y1133-I1137 HydrophobicContact CE2-CD1 4.1Å; Y1133-I1137 HydrophobicContact CG-CD1 4.48Å; Y1133-I1137 VanDerWaalsContact CZ-CD1 3.41Å; Y1133-I1137 PolarHBondContact O-N 3.23Å
1134D85.2Confident82.7Confident103 Ų10363.2 Ų63.255%0.55133%0.329SS*.Hα-helixtrans-66.2-37.1-179-61.3-37.3000112.2D1132 I1137 F1138D1132-D1134 PolarHBondContact O-N 3.26Å; D1134-I1137 PolarHBondContact O-N 2.92Å; D1134-F1138 WeakPolarHBondContact O-CB 3.26Å; D1134-F1138 PolarHBondContact O-N 3.21Å
1135L84.1Confident84Confident1 Ų160.8 Ų60.81%0.00531%0.312CS..Hα-helixtrans-68.9-38.2179-168.955.2000111.3E1044 I1067 L1071 L1131 D1132 Y1133 F1138 F1139E1044-L1135 HydrophobicContact CG-CD1 3.95Å; I1067-L1135 HydrophobicContact CG2-CD2 3.75Å; L1071-L1135 HydrophobicContact CD1-CD1 4.02Å; L1071-L1135 HydrophobicContact CD1-CD2 4.01Å; L1071-L1135 HydrophobicContact CD1-CG 4.27Å; L1071-L1135 HydrophobicContact CD2-CD1 4.42Å; L1071-L1135 HydrophobicContact CD2-CD2 4.37Å; L1071-L1135 HydrophobicContact CD2-CG 4.16Å; L1071-L1135 HydrophobicContact CG-CD2 4.49Å; L1131-L1135 HydrophobicContact CD2-CD2 3.69Å; L1131-L1135 HydrophobicContact CD2-CG 4.29Å; D1132-L1135 HydrophobicContact CB-CB 4.27Å; D1132-L1135 PolarHBondContact O-N 2.94Å; Y1133-L1135 VanDerWaalsContact C-N 3.33Å; Y1133-L1135 PolarHBondContact O-N 3.38Å; L1135-F1138 PolarHBondContact O-N 3.19Å; L1135-F1139 WeakPolarHBondContact O-CB 3.38Å; L1135-F1139 PolarHBondContact O-N 3.23Å
1136R86.8Confident85Confident58 Ų5857.3 Ų57.322%0.21928%0.283CS..Hα-helixtrans-61.7-46.2172.7-73.6-179.4-70.5176.5-5.6111.6P1118 L1131 D1132 Y1133 F1138 F1139 F1140P1118-R1136 HydrophobicContact CB-CG 4.18Å; P1118-R1136 WeakPolarHBondContact O-CD 3.27Å; L1131-R1136 HydrophobicContact CB-CG 3.5Å; L1131-R1136 HydrophobicContact CD1-CG 4.32Å; L1131-R1136 WeakPolarHBondContact O-CD 3.46Å; L1131-R1136 PolarHBondContact O-NE 3.06Å; D1132-R1136 WeakPolarHBondContact O-CB 3.36Å; D1132-R1136 VanDerWaalsContact O-CG 3.29Å; D1132-R1136 WeakPolarHBondContact O-CG 3.21Å; D1132-R1136 PolarHBondContact O-N 2.97Å; D1132-R1136 PolarHBondContact O-NE 3.14Å; Y1133-R1136 PolarHBondContact O-N 2.85Å; R1136-F1138 VanDerWaalsContact C-N 3.32Å; R1136-F1138 PolarHBondContact O-N 3.37Å; R1136-F1139 WeakPolarHBondContact O-CB 3.34Å; R1136-F1139 PolarHBondContact O-N 3.13Å; R1136-F1140 HydrophobicContact CB-CE2 4.41Å; R1136-F1140 WeakPolarHBondContact O-CD2 3.48Å; R1136-F1140 PolarHBondContact O-N 3.21Å
1137I88.1Confident86.1Confident56 Ų5661 Ų6129%0.28730%0.298SS..Hα-helixtrans-61.8-43.9177-70.1173.6000110.6Y1133 D1134 F1140 K1141Y1133-I1137 HydrophobicContact CD1-CD1 3.83Å; Y1133-I1137 HydrophobicContact CE1-CD1 3.25Å; Y1133-I1137 HydrophobicContact CE1-CG1 4.41Å; Y1133-I1137 HydrophobicContact CE2-CD1 4.1Å; Y1133-I1137 HydrophobicContact CG-CD1 4.48Å; Y1133-I1137 VanDerWaalsContact CZ-CD1 3.41Å; Y1133-I1137 PolarHBondContact O-N 3.23Å; D1134-I1137 PolarHBondContact O-N 2.92Å; I1137-F1140 PolarHBondContact O-N 3.02Å; I1137-K1141 HydrophobicContact CG2-CD 4.14Å; I1137-K1141 HydrophobicContact CG2-CG 4.45Å; I1137-K1141 WeakPolarHBondContact O-CG 3.33Å; I1137-K1141 PolarHBondContact O-N 3.22Å
1138F89.8Confident87.2Confident60 Ų6061 Ų6126%0.26330%0.3SS..Hα-helixtrans-61.3-47.2177.5-173.6-102000111.6L1041 E1044 D1134 L1135 R1136 F1140 K1141 V1142L1041-F1138 HydrophobicContact CD1-CD1 3.84Å; L1041-F1138 HydrophobicContact CD1-CE1 4.04Å; E1044-F1138 HydrophobicContact CB-CD1 4.05Å; E1044-F1138 HydrophobicContact CB-CE1 3.7Å; E1044-F1138 HydrophobicContact CB-CZ 4.32Å; E1044-F1138 HydrophobicContact CG-CD1 3.81Å; E1044-F1138 HydrophobicContact CG-CE1 3.95Å; E1044-F1138 HydrophobicContact CG-CG 4.3Å; D1134-F1138 WeakPolarHBondContact O-CB 3.26Å; D1134-F1138 PolarHBondContact O-N 3.21Å; L1135-F1138 PolarHBondContact O-N 3.19Å; R1136-F1138 VanDerWaalsContact C-N 3.32Å; R1136-F1138 PolarHBondContact O-N 3.37Å; F1138-F1140 PolarHBondContact O-N 2.76Å; F1138-K1141 PolarHBondContact O-N 3.48Å; F1138-V1142 HydrophobicContact CD1-CG2 4.09Å; F1138-V1142 HydrophobicContact CE1-CG2 3.73Å; F1138-V1142 HydrophobicContact CE2-CG2 4.24Å; F1138-V1142 HydrophobicContact CG-CG2 4.49Å; F1138-V1142 HydrophobicContact CZ-CG2 3.82Å; F1138-V1142 WeakPolarHBondContact O-CG2 3.31Å; F1138-V1142 PolarHBondContact O-N 2.64Å
1139F89.8Confident88.1Confident0 Ų061.1 Ų61.10%030%0.304CS..Hα-helixtrans-53.4-49.6173.8171-100.5000112.3L1041 L1074 I1075 I1114 P1118 L1135 R1136 K1141 V1142 L1143L1041-F1139 HydrophobicContact CD2-CD2 4.12Å; L1074-F1139 HydrophobicContact CB-CE2 3.78Å; L1074-F1139 HydrophobicContact CB-CZ 3.86Å; I1075-F1139 HydrophobicContact CB-CE2 4.17Å; I1075-F1139 HydrophobicContact CD1-CD2 4.39Å; I1075-F1139 HydrophobicContact CD1-CE2 4Å; I1114-F1139 HydrophobicContact CG2-CE1 4.3Å; I1114-F1139 HydrophobicContact CG2-CZ 4.06Å; P1118-F1139 HydrophobicContact CG-CD1 4.21Å; P1118-F1139 HydrophobicContact CG-CE1 3.92Å; L1135-F1139 WeakPolarHBondContact O-CB 3.38Å; L1135-F1139 PolarHBondContact O-N 3.23Å; R1136-F1139 WeakPolarHBondContact O-CB 3.34Å; R1136-F1139 PolarHBondContact O-N 3.13Å; F1139-K1141 PolarHBondContact O-N 2.93Å; F1139-V1142 PolarHBondContact O-N 2.8Å; F1139-L1143 HydrophobicContact CE1-CD2 4.35Å; F1139-L1143 HydrophobicContact CZ-CD2 4.41Å; F1139-L1143 WeakPolarHBondContact O-CB 3.39Å; F1139-L1143 PolarHBondContact O-N 3.02Å
1140F91.2Very high88.9Confident50 Ų5059 Ų5922%0.21929%0.291CS..Hα-helixtrans-65.1-38.3178.8-71.6-57.4000113V1115 P1118 F1119 R1136 I1137 F1138 L1143 V1144V1115-F1140 HydrophobicContact CB-CE1 4.45Å; V1115-F1140 HydrophobicContact CG1-CE1 4.35Å; V1115-F1140 HydrophobicContact CG1-CZ 4.38Å; V1115-F1140 HydrophobicContact CG2-CE1 4.22Å; P1118-F1140 HydrophobicContact CB-CZ 4.37Å; P1118-F1140 HydrophobicContact CG-CZ 4.19Å; F1119-F1140 HydrophobicContact CE2-CE2 4.3Å; F1119-F1140 HydrophobicContact CE2-CZ 4.05Å; F1119-F1140 HydrophobicContact CZ-CE2 4.33Å; R1136-F1140 HydrophobicContact CB-CE2 4.41Å; R1136-F1140 WeakPolarHBondContact O-CD2 3.48Å; R1136-F1140 PolarHBondContact O-N 3.21Å; I1137-F1140 PolarHBondContact O-N 3.02Å; F1138-F1140 PolarHBondContact O-N 2.76Å; F1140-L1143 PolarHBondContact O-N 2.7Å; F1140-V1144 WeakPolarHBondContact O-CB 3.37Å; F1140-V1144 VanDerWaalsContact O-CG2 3.28Å; F1140-V1144 WeakPolarHBondContact O-CG2 3.27Å; F1140-V1144 PolarHBondContact O-N 3.14Å
1141K92.3Very high89.8Confident142 Ų14258.7 Ų58.762%0.61728%0.279SS*.Hα-helixtrans-62-44.7175.2-76.3176.2179.3176.50111.6I1137 F1138 F1139 V1144 F1145I1137-K1141 HydrophobicContact CG2-CD 4.14Å; I1137-K1141 HydrophobicContact CG2-CG 4.45Å; I1137-K1141 WeakPolarHBondContact O-CG 3.33Å; I1137-K1141 PolarHBondContact O-N 3.22Å; F1138-K1141 PolarHBondContact O-N 3.48Å; F1139-K1141 PolarHBondContact O-N 2.93Å; K1141-V1144 PolarHBondContact O-N 3.27Å; K1141-F1145 WeakPolarHBondContact O-CB 3.43Å; K1141-F1145 PolarHBondContact O-N 3.18Å
1142V92.3Very high90.5Very high9 Ų963 Ų636%0.05530%0.301CS..Hα-helixtrans-65.7-43.1179.1170.80000110.9V1037 I1075 F1138 F1139 V1144 F1145 D1146V1037-V1142 HydrophobicContact CB-CG1 3.98Å; V1037-V1142 HydrophobicContact CG1-CG1 3.31Å; V1037-V1142 HydrophobicContact CG2-CG1 4.01Å; I1075-V1142 HydrophobicContact CD1-CG1 4.34Å; F1138-V1142 HydrophobicContact CD1-CG2 4.09Å; F1138-V1142 HydrophobicContact CE1-CG2 3.73Å; F1138-V1142 HydrophobicContact CE2-CG2 4.24Å; F1138-V1142 HydrophobicContact CG-CG2 4.49Å; F1138-V1142 HydrophobicContact CZ-CG2 3.82Å; F1138-V1142 WeakPolarHBondContact O-CG2 3.31Å; F1138-V1142 PolarHBondContact O-N 2.64Å; F1139-V1142 PolarHBondContact O-N 2.8Å; V1142-V1144 PolarHBondContact O-N 3.26Å; V1142-F1145 WeakPolarHBondContact O-CB 3.49Å; V1142-F1145 PolarHBondContact O-N 3.42Å; V1142-D1146 WeakPolarHBondContact O-CB 3.36Å; V1142-D1146 PolarHBondContact O-N 3.07Å
1143L91.5Very high91.1Very high26 Ų2660 Ų6014%0.13629%0.285CS..Hα-helixtrans-62.8-40.4176.6-174.768.4000112.6I1075 V1082 I1114 F1139 F1140 D1146 F1147I1075-L1143 HydrophobicContact CD1-CD1 4.4Å; V1082-L1143 HydrophobicContact CG2-CD1 4.36Å; I1114-L1143 HydrophobicContact CG2-CD2 3.88Å; F1139-L1143 HydrophobicContact CE1-CD2 4.35Å; F1139-L1143 HydrophobicContact CZ-CD2 4.41Å; F1139-L1143 WeakPolarHBondContact O-CB 3.39Å; F1139-L1143 PolarHBondContact O-N 3.02Å; F1140-L1143 PolarHBondContact O-N 2.7Å; L1143-D1146 WeakPolarHBondContact O-CB 3.34Å; L1143-D1146 PolarHBondContact O-N 2.81Å; L1143-F1147 PolarHBondContact O-N 2.96Å; L1143-F1147 VanDerWaalsContact O-N 3.12Å
1144V93Very high91.5Very high87 Ų8752.7 Ų52.753%0.52726%0.256SS..Hα-helixtrans-67.4-40.1176168.90000111.3F1140 K1141 V1142 F1147 I1148F1140-V1144 WeakPolarHBondContact O-CB 3.37Å; F1140-V1144 VanDerWaalsContact O-CG2 3.28Å; F1140-V1144 WeakPolarHBondContact O-CG2 3.27Å; F1140-V1144 PolarHBondContact O-N 3.14Å; K1141-V1144 PolarHBondContact O-N 3.27Å; V1142-V1144 PolarHBondContact O-N 3.26Å; V1144-F1147 PolarHBondContact O-N 3.3Å; V1144-I1148 HydrophobicContact CG1-CD1 3.81Å; V1144-I1148 WeakPolarHBondContact O-CG1 3.49Å; V1144-I1148 PolarHBondContact O-N 2.99Å; V1144-I1148 VanDerWaalsContact O-N 3.09Å
1145F94.8Very high91.7Very high102 Ų10252.6 Ų52.645%0.44725%0.248SC..Hα-helixtrans-61.3-46173.9173.6-98.1000111.6Y1036 V1037 K1141 V1142 F1147 I1148 A1149Y1036-F1145 HydrophobicContact CD1-CE1 4.15Å; Y1036-F1145 HydrophobicContact CE1-CE1 4.35Å; V1037-F1145 HydrophobicContact CG2-CD1 3.91Å; V1037-F1145 HydrophobicContact CG2-CE1 4.31Å; K1141-F1145 WeakPolarHBondContact O-CB 3.43Å; K1141-F1145 PolarHBondContact O-N 3.18Å; V1142-F1145 WeakPolarHBondContact O-CB 3.49Å; V1142-F1145 PolarHBondContact O-N 3.42Å; F1145-F1147 VanDerWaalsContact C-N 3.34Å; F1145-F1147 PolarHBondContact O-N 3.43Å; F1145-I1148 PolarHBondContact O-N 3.31Å; F1145-A1149 HydrophobicContact CE1-CB 4.43Å; F1145-A1149 HydrophobicContact CZ-CB 4.31Å; F1145-A1149 VanDerWaalsContact O-CB 3.29Å; F1145-A1149 WeakPolarHBondContact O-CB 3.28Å; F1145-A1149 PolarHBondContact O-N 3.32Å
1146D93.7Very high92Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-54.6-49.1177-172.363000111.8H1034 V1037 V1142 L1143 S1150H1034-D1146 IonicContact CE1-OD1 3.84Å; H1034-D1146 PolarHBondContact CE1-OD1 3.16Å; H1034-D1146 IonicContact CE1-OD2 3.24Å; H1034-D1146 PolarHBondContact CE1-OD2 3.35Å; H1034-D1146 IonicContact CG-OD1 3.35Å; H1034-D1146 VanDerWaalsContact ND1-CG 3.3Å; H1034-D1146 IonicContact ND1-OD1 3.7Å; H1034-D1146 PolarHBondContact ND1-OD1 2.81Å; H1034-D1146 IonicContact ND1-OD2 2.7Å; H1034-D1146 PolarHBondContact ND1-OD2 3.31Å; H1034-D1146 VanDerWaalsContact ND1-OD2 3.15Å; V1037-D1146 HydrophobicContact CG1-CB 4.33Å; V1037-D1146 HydrophobicContact CG2-CB 3.92Å; V1142-D1146 WeakPolarHBondContact O-CB 3.36Å; V1142-D1146 PolarHBondContact O-N 3.07Å; L1143-D1146 WeakPolarHBondContact O-CB 3.34Å; L1143-D1146 PolarHBondContact O-N 2.81Å; D1146-S1150 WeakPolarHBondContact O-CB 3.22Å; D1146-S1150 PolarHBondContact O-N 2.81Å; D1146-S1150 PolarHBondContact O-OG 2.63Å; D1146-S1150 VanDerWaalsContact O-OG 3.12Å
1147F93.7Very high92.2Very high91 Ų9153.9 Ų53.940%0.39926%0.262SS..Hα-helixtrans-60.3-49.9177.5177.9-100.1000112.6V1082 A1085 V1086 L1143 V1144 F1145 F1151V1082-F1147 HydrophobicContact CG1-CB 4.3Å; V1082-F1147 HydrophobicContact CG1-CD2 4.15Å; V1082-F1147 HydrophobicContact CG2-CB 4.12Å; V1082-F1147 HydrophobicContact CG2-CD2 4.28Å; A1085-F1147 HydrophobicContact CB-CE2 4.47Å; V1086-F1147 HydrophobicContact CG2-CD2 4.2Å; V1086-F1147 HydrophobicContact CG2-CE2 4.17Å; L1143-F1147 PolarHBondContact O-N 2.96Å; L1143-F1147 VanDerWaalsContact O-N 3.12Å; V1144-F1147 PolarHBondContact O-N 3.3Å; F1145-F1147 VanDerWaalsContact C-N 3.34Å; F1145-F1147 PolarHBondContact O-N 3.43Å; F1147-F1151 WeakPolarHBondContact O-CB 3.3Å; F1147-F1151 PolarHBondContact O-N 3.47Å
1148I95.3Very high92Very high88 Ų8853.8 Ų53.845%0.45126%0.264SS..Hα-helixtrans-65.4-46.1-177.3-68.8164.5000110.9V1144 F1145 F1151 L1152V1144-I1148 HydrophobicContact CG1-CD1 3.81Å; V1144-I1148 WeakPolarHBondContact O-CG1 3.49Å; V1144-I1148 PolarHBondContact O-N 2.99Å; V1144-I1148 VanDerWaalsContact O-N 3.09Å; F1145-I1148 PolarHBondContact O-N 3.31Å; I1148-F1151 PolarHBondContact O-N 3.06Å; I1148-L1152 HydrophobicContact CG2-CD1 3.89Å; I1148-L1152 HydrophobicContact CG2-CG 4.37Å; I1148-L1152 WeakPolarHBondContact O-CB 3.44Å; I1148-L1152 VanDerWaalsContact O-CG 3.3Å; I1148-L1152 WeakPolarHBondContact O-CG 3.36Å; I1148-L1152 PolarHBondContact O-N 3.12Å
1149A94.9Very high91.8Very high17 Ų1758.4 Ų58.414%0.1428%0.284CS..Hα-helixtrans-65.1-48-177.800000111.4V1033 F1145 F1151 L1152 I1153V1033-A1149 HydrophobicContact CG1-CB 3.72Å; V1033-A1149 HydrophobicContact CG2-CB 4.09Å; F1145-A1149 HydrophobicContact CE1-CB 4.43Å; F1145-A1149 HydrophobicContact CZ-CB 4.31Å; F1145-A1149 VanDerWaalsContact O-CB 3.29Å; F1145-A1149 WeakPolarHBondContact O-CB 3.28Å; F1145-A1149 PolarHBondContact O-N 3.32Å; A1149-F1151 VanDerWaalsContact C-N 3.34Å; A1149-F1151 PolarHBondContact O-N 3.26Å; A1149-L1152 PolarHBondContact O-N 3.31Å; A1149-I1153 WeakPolarHBondContact O-CD1 2.97Å; A1149-I1153 VanDerWaalsContact O-CG1 3.29Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.2Å; A1149-I1153 PolarHBondContact O-N 3.29Å
1150S93.6Very high91.6Very high0 Ų063.2 Ų63.20%031%0.308CS..Hα-helixtrans-62.8-39.5177.2-67.40000112.2D1146 I1153 D1154D1146-S1150 WeakPolarHBondContact O-CB 3.22Å; D1146-S1150 PolarHBondContact O-N 2.81Å; D1146-S1150 PolarHBondContact O-OG 2.63Å; D1146-S1150 VanDerWaalsContact O-OG 3.12Å; S1150-I1153 PolarHBondContact O-N 3.12Å; S1150-D1154 PolarHBondContact O-N 3.27Å; S1150-D1154 VanDerWaalsContact O-N 3.1Å
1151F93.3Very high91.2Very high82 Ų8265 Ų6536%0.3632%0.316SS..Hα-helixtrans-63.3-46175.1-179.3-98.7000112.8V1086 F1147 I1148 A1149 D1154 R1155V1086-F1151 HydrophobicContact CG2-CB 4.11Å; F1147-F1151 WeakPolarHBondContact O-CB 3.3Å; F1147-F1151 PolarHBondContact O-N 3.47Å; I1148-F1151 PolarHBondContact O-N 3.06Å; A1149-F1151 VanDerWaalsContact C-N 3.34Å; A1149-F1151 PolarHBondContact O-N 3.26Å; F1151-D1154 PolarHBondContact O-N 3.44Å; F1151-R1155 HydrophobicContact CD1-CG 4.36Å; F1151-R1155 HydrophobicContact CD2-CG 4.4Å; F1151-R1155 HydrophobicContact CE1-CG 4.01Å; F1151-R1155 HydrophobicContact CE2-CG 4.05Å; F1151-R1155 HydrophobicContact CZ-CG 3.84Å; F1151-R1155 VanDerWaalsContact O-CG 3.29Å; F1151-R1155 WeakPolarHBondContact O-CG 3.36Å; F1151-R1155 PolarHBondContact O-N 2.81Å; F1151-R1155 VanDerWaalsContact O-N 3.12Å
1152L93.8Very high90.2Very high99 Ų9959.3 Ų59.352%0.51830%0.298SS..Hα-helixtrans-62.7-42.8178.2-74.6173.2000111.6I1148 A1149 R1155 V1156I1148-L1152 HydrophobicContact CG2-CD1 3.89Å; I1148-L1152 HydrophobicContact CG2-CG 4.37Å; I1148-L1152 WeakPolarHBondContact O-CB 3.44Å; I1148-L1152 VanDerWaalsContact O-CG 3.3Å; I1148-L1152 WeakPolarHBondContact O-CG 3.36Å; I1148-L1152 PolarHBondContact O-N 3.12Å; A1149-L1152 PolarHBondContact O-N 3.31Å; L1152-R1155 PolarHBondContact O-N 2.9Å; L1152-V1156 WeakPolarHBondContact O-CB 3.32Å; L1152-V1156 VanDerWaalsContact O-CG2 3.22Å; L1152-V1156 WeakPolarHBondContact O-CG2 3.48Å; L1152-V1156 PolarHBondContact O-N 3.37Å
1153I93.7Very high89.1Confident34 Ų3467.7 Ų67.717%0.17433%0.329CS..Hα-helixtrans-57.8-54.7176.9-72.4163.4000110.3L1029 Q1030 V1033 A1149 S1150 R1155 V1156 L1157L1029-I1153 HydrophobicContact CB-CD1 4.15Å; L1029-I1153 HydrophobicContact CB-CG2 3.55Å; L1029-I1153 HydrophobicContact CD1-CG2 4.03Å; L1029-I1153 HydrophobicContact CG-CG2 4.46Å; Q1030-I1153 HydrophobicContact CG-CG2 4.31Å; V1033-I1153 HydrophobicContact CG2-CD1 3.38Å; A1149-I1153 WeakPolarHBondContact O-CD1 2.97Å; A1149-I1153 VanDerWaalsContact O-CG1 3.29Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.2Å; A1149-I1153 PolarHBondContact O-N 3.29Å; S1150-I1153 PolarHBondContact O-N 3.12Å; I1153-R1155 VanDerWaalsContact C-N 3.34Å; I1153-R1155 PolarHBondContact O-N 3.29Å; I1153-V1156 PolarHBondContact O-N 3.1Å; I1153-L1157 HydrophobicContact CG2-CD1 3.85Å; I1153-L1157 HydrophobicContact CG2-CG 4.49Å; I1153-L1157 WeakPolarHBondContact O-CB 3.47Å; I1153-L1157 WeakPolarHBondContact O-CG 3.43Å; I1153-L1157 PolarHBondContact O-N 3.25Å
1154D90Very high87.9Confident1 Ų169 Ų691%0.00534%0.338CS..Hα-helixtrans-57.9-46.9-178.5-176.770.1000111.5K958 Y1022 V1086 S1150 F1151 V1156 L1157 V1158K958-D1154 IonicContact NZ-OD1 3.22Å; K958-D1154 PolarHBondContact NZ-OD1 3.36Å; Y1022-D1154 PolarHBondContact OH-OD1 3.5Å; V1086-D1154 HydrophobicContact CG1-CB 3.82Å; S1150-D1154 PolarHBondContact O-N 3.27Å; S1150-D1154 VanDerWaalsContact O-N 3.1Å; F1151-D1154 PolarHBondContact O-N 3.44Å; D1154-V1156 PolarHBondContact O-N 3.14Å; D1154-L1157 PolarHBondContact O-N 3.45Å; D1154-V1158 VanDerWaalsContact O-CG2 3.3Å; D1154-V1158 WeakPolarHBondContact O-CG2 3.39Å; D1154-V1158 PolarHBondContact O-N 3.13Å
1155R90.1Very high86.4Confident102 Ų10275.9 Ų75.939%0.38535%0.354SS..Hα-helixtrans-67.3-39.3-176.2-64-67.2158.2-175.6-7.6113.2F1151 L1152 I1153 L1157 F1159F1151-R1155 HydrophobicContact CD1-CG 4.36Å; F1151-R1155 HydrophobicContact CD2-CG 4.4Å; F1151-R1155 HydrophobicContact CE1-CG 4.01Å; F1151-R1155 HydrophobicContact CE2-CG 4.05Å; F1151-R1155 HydrophobicContact CZ-CG 3.84Å; F1151-R1155 VanDerWaalsContact O-CG 3.29Å; F1151-R1155 WeakPolarHBondContact O-CG 3.36Å; F1151-R1155 PolarHBondContact O-N 2.81Å; F1151-R1155 VanDerWaalsContact O-N 3.12Å; L1152-R1155 PolarHBondContact O-N 2.9Å; I1153-R1155 VanDerWaalsContact C-N 3.34Å; I1153-R1155 PolarHBondContact O-N 3.29Å; R1155-L1157 VanDerWaalsContact C-N 3.34Å; R1155-F1159 WeakPolarHBondContact O-CB 3.24Å; R1155-F1159 PolarHBondContact O-N 3.17Å
1156V90.9Very high84.8Confident77 Ų7776.5 Ų76.547%0.46736%0.358SS..Hα-helixtrans-63.9-41.7174.9170.30000110.5L1152 I1153 D1154 F1159 I1160L1152-V1156 WeakPolarHBondContact O-CB 3.32Å; L1152-V1156 VanDerWaalsContact O-CG2 3.22Å; L1152-V1156 WeakPolarHBondContact O-CG2 3.48Å; L1152-V1156 PolarHBondContact O-N 3.37Å; I1153-V1156 PolarHBondContact O-N 3.1Å; D1154-V1156 PolarHBondContact O-N 3.14Å; V1156-F1159 PolarHBondContact O-N 3.38Å; V1156-I1160 HydrophobicContact CG1-CD1 3.71Å; V1156-I1160 VanDerWaalsContact O-CG1 3.3Å; V1156-I1160 WeakPolarHBondContact O-CG1 3.47Å; V1156-I1160 PolarHBondContact O-N 3.2Å
1157L89.8Confident83.3Confident9 Ų980.8 Ų80.85%0.04738%0.377CS..Hα-helixtrans-71.6-38.2179.9-64.2178.9000113.4Y1022 L1025 L1029 I1153 D1154 R1155 F1159 I1160 F1161Y1022-L1157 HydrophobicContact CD2-CB 3.79Å; Y1022-L1157 HydrophobicContact CE2-CB 3.82Å; L1025-L1157 HydrophobicContact CB-CD1 4.37Å; L1025-L1157 HydrophobicContact CD2-CD1 3.61Å; L1025-L1157 HydrophobicContact CD2-CD2 3.11Å; L1025-L1157 HydrophobicContact CD2-CG 3.93Å; L1025-L1157 HydrophobicContact CG-CD2 4.5Å; L1029-L1157 HydrophobicContact CD1-CD1 4.29Å; I1153-L1157 HydrophobicContact CG2-CD1 3.85Å; I1153-L1157 HydrophobicContact CG2-CG 4.49Å; I1153-L1157 WeakPolarHBondContact O-CB 3.47Å; I1153-L1157 WeakPolarHBondContact O-CG 3.43Å; I1153-L1157 PolarHBondContact O-N 3.25Å; D1154-L1157 PolarHBondContact O-N 3.45Å; R1155-L1157 VanDerWaalsContact C-N 3.34Å; L1157-F1159 VanDerWaalsContact C-N 3.26Å; L1157-F1159 PolarHBondContact O-N 3.37Å; L1157-I1160 PolarHBondContact O-N 3.22Å; L1157-F1161 HydrophobicContact CD2-CD2 4.29Å; L1157-F1161 HydrophobicContact CD2-CE2 4.43Å; L1157-F1161 PolarHBondContact O-N 2.83Å
1158V85.5Confident81.4Confident54 Ų5481.7 Ų81.733%0.32739%0.394SS..Hα-helixtrans-60.3-41.4171.4171.70000109.9Y1022 D1154 G1162Y1022-V1158 HydrophobicContact CD2-CG2 4.49Å; Y1022-V1158 HydrophobicContact CE2-CB 4.27Å; Y1022-V1158 HydrophobicContact CE2-CG2 3.43Å; Y1022-V1158 VanDerWaalsContact CE2-CG2 3.43Å; Y1022-V1158 VanDerWaalsContact OH-CG2 3.24Å; Y1022-V1158 WeakPolarHBondContact OH-CG2 3.29Å; D1154-V1158 VanDerWaalsContact O-CG2 3.3Å; D1154-V1158 WeakPolarHBondContact O-CG2 3.39Å; D1154-V1158 PolarHBondContact O-N 3.13Å; V1158-G1162 WeakPolarHBondContact O-CA 3.26Å; V1158-G1162 PolarHBondContact O-N 2.94Å
1159F85.2Confident79.5Confident157 Ų15779.7 Ų79.769%0.68939%0.385SS*.Hα-helixtrans-64.6-41.3178.8-177.9-101.3000112.8R1155 V1156 L1157R1155-F1159 WeakPolarHBondContact O-CB 3.24Å; R1155-F1159 PolarHBondContact O-N 3.17Å; V1156-F1159 PolarHBondContact O-N 3.38Å; L1157-F1159 VanDerWaalsContact C-N 3.26Å; L1157-F1159 PolarHBondContact O-N 3.37Å
1160I85.5Confident78.8Confident100 Ų10082.9 Ų82.951%0.51340%0.397SS..Hα-helixtrans-79.8-47.4-177.3-62.6167.8000112V1156 L1157V1156-I1160 HydrophobicContact CG1-CD1 3.71Å; V1156-I1160 VanDerWaalsContact O-CG1 3.3Å; V1156-I1160 WeakPolarHBondContact O-CG1 3.47Å; V1156-I1160 PolarHBondContact O-N 3.2Å; L1157-I1160 PolarHBondContact O-N 3.22Å
1161F82.4Confident78Confident88 Ų8887.2 Ų87.239%0.38642%0.418SS..Hα-helixtrans-115.8-7.2-168.6-63.8-69.5000114.6V1021 L1157 R1163V1021-F1161 HydrophobicContact CG1-CD1 4.35Å; V1021-F1161 HydrophobicContact CG1-CE1 4.14Å; V1021-F1161 HydrophobicContact CG1-CE2 4.46Å; V1021-F1161 HydrophobicContact CG1-CZ 4.2Å; L1157-F1161 HydrophobicContact CD2-CD2 4.29Å; L1157-F1161 HydrophobicContact CD2-CE2 4.43Å; L1157-F1161 PolarHBondContact O-N 2.83Å; F1161-R1163 VanDerWaalsContact C-N 3.3Å; F1161-R1163 PolarHBondContact O-N 3.23Å
1162G71.3Confident77.2Confident22 Ų2287.5 Ų87.523%0.22742%0.421CS..  trans-74.1-14.3-175.700000114.9V1158 V1164V1158-G1162 WeakPolarHBondContact O-CA 3.26Å; V1158-G1162 PolarHBondContact O-N 2.94Å; G1162-V1164 PolarHBondContact O-N 3.34Å
1163R68.7Low76.2Confident186 Ų18686.8 Ų86.870%0.70242%0.415SS*.  trans-87.1106.2-179.6-68.7-175.2177.8170.92.2111.8F1161 R1165F1161-R1163 VanDerWaalsContact C-N 3.3Å; F1161-R1163 PolarHBondContact O-N 3.23Å; R1163-R1165 PolarHBondContact O-N 3.19Å
1164V66.4Low75.1Confident54 Ų5490.1 Ų90.133%0.32743%0.43SS..PPolyproline II helixtrans-75.1118.4170.6-176.30000109.6R1013 I1015 G1162R1013-V1164 HydrophobicContact CB-CB 4.44Å; I1015-V1164 HydrophobicContact CG1-CG2 4.09Å; G1162-V1164 PolarHBondContact O-N 3.34Å
1165R62.7Low74.1Confident230 Ų23096.1 Ų96.187%0.86846%0.459SS*.PPolyproline II helixtrans-69.8140.9172-70.6-174.6-179.4179.40.7110.3R1163 K1167R1163-R1165 PolarHBondContact O-N 3.19Å; R1165-K1167 PolarHBondContact O-N 3.25Å
1166Q59.5Low72.9Confident115 Ų11595.6 Ų95.654%0.53746%0.464SS..PPolyproline II helixtrans-58.7132.7170.6-169.2179.4-2.600109.5S1168Q1166-S1168 PolarHBondContact O-N 3.14Å
1167K62.6Low71.6Confident91 Ų9197.1 Ų97.140%0.39646%0.464SS..PPolyproline II helixtrans-60.5132.8168.8-69.6178.7-177.4167.30107.8D479 G818 Y819 R1165 L1169D479-K1167 IonicContact OD2-NZ 2.73Å; D479-K1167 PolarHBondContact OD2-NZ 3.43Å; G818-K1167 PolarHBondContact O-NZ 2.86Å; Y819-K1167 HydrophobicContact CD1-CD 4.16Å; Y819-K1167 HydrophobicContact CE1-CD 4.03Å; R1165-K1167 PolarHBondContact O-N 3.25Å; K1167-L1169 PolarHBondContact O-N 2.92Å
1168S53.3Low70Confident109 Ų109104.4 Ų104.476%0.76250%0.498SS*.  trans-66.378.8176.9162.60000110.8K795 Q1166K795-S1168 PolarHBondContact NZ-O 3.16Å; K795-S1168 VanDerWaalsContact NZ-O 3.14Å; Q1166-S1168 PolarHBondContact O-N 3.14Å
1169L57.4Low68.6Low47 Ų47109 Ų10925%0.24651%0.514CS..  trans-87.50169.9-78.5170.4000111.3I480 H696 P794 K795 Y819 K1167I480-L1169 HydrophobicContact CD1-CD1 4.34Å; I480-L1169 HydrophobicContact CG1-CD1 3.93Å; H696-L1169 HydrophobicContact CB-CD1 3.76Å; P794-L1169 HydrophobicContact CB-CD2 3.76Å; K795-L1169 WeakPolarHBondContact CD-OXT 3.18Å; K795-L1169 VanDerWaalsContact CE-OXT 3.3Å; K795-L1169 WeakPolarHBondContact CE-OXT 3.38Å; K795-L1169 PolarHBondContact NZ-OXT 3.26Å; Y819-L1169 HydrophobicContact CD1-CD1 4.31Å; Y819-L1169 HydrophobicContact CD1-CD2 4.15Å; Y819-L1169 HydrophobicContact CE1-CD1 4.14Å; Y819-L1169 HydrophobicContact CE1-CD2 3.42Å; Y819-L1169 VanDerWaalsContact CE1-CD2 3.42Å; Y819-L1169 HydrophobicContact CE1-CG 3.88Å; Y819-L1169 HydrophobicContact CE2-CD2 4.16Å; Y819-L1169 VanDerWaalsContact CZ-CD2 3.43Å; Y819-L1169 WeakPolarHBondContact OH-CD2 3.38Å; K1167-L1169 PolarHBondContact O-N 2.92Å

Retrieved 1,169 of 1,169 residues in 257 ms (Link to these results)

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