A0A3Q0KVG3_SCHMA Loading...

IntS14_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KVG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 539 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
1M75.6Confident85.5Confident14 Ų1415.2 Ų15.27%0.0698%0.077CC..  0158.40-166.1177.1-147.100107.4H3 G47 F48 N113 Q115 Q209M1-H3 PolarHBondContact SD-NE2 3.36Å; M1-H3 VanDerWaalsContact SD-NE2 3.37Å; M1-G47 VanDerWaalsContact O-CA 3.24Å; M1-G47 WeakPolarHBondContact O-CA 3.39Å; M1-F48 PolarHBondContact O-N 2.9Å; M1-N113 HydrophobicContact CG-CB 4.41Å; M1-N113 WeakPolarHBondContact CG-O 3.41Å; M1-Q115 HydrophobicContact CE-CB 3.43Å; M1-Q115 VanDerWaalsContact CE-CB 3.43Å; M1-Q115 HydrophobicContact CE-CG 4.19Å; M1-Q115 HydrophobicContact CG-CB 4.38Å; M1-Q115 HydrophobicContact SD-CB 3.8Å; M1-Q209 HydrophobicContact CE-CG 4.3Å; M1-Q209 HydrophobicContact SD-CG 3.79Å; M1-Q209 PolarHBondContact SD-NE2 3.11Å
2I83.6Confident84.9Confident0 Ų017.7 Ų17.70%09%0.085CC..EExtended strand (participates in β ladder)trans-104.7124169.5-60.9166.4000107.1L4 F48 F66 Y108 N113 I114 Q115 P229I2-L4 HydrophobicContact CG2-CD2 3.96Å; I2-L4 HydrophobicContact CG2-CG 4.39Å; I2-F48 CarbonylContact C-O 3.26Å; I2-F48 WeakPolarHBondContact CA-O 3.5Å; I2-F66 HydrophobicContact CG2-CD1 4.17Å; I2-F66 HydrophobicContact CG2-CE1 3.42Å; I2-F66 VanDerWaalsContact CG2-CE1 3.42Å; I2-F66 HydrophobicContact CG2-CZ 4.2Å; I2-Y108 HydrophobicContact CD1-CD1 3.74Å; I2-Y108 HydrophobicContact CD1-CD2 3.34Å; I2-Y108 HydrophobicContact CD1-CE1 4.19Å; I2-Y108 HydrophobicContact CD1-CE2 3.8Å; I2-Y108 HydrophobicContact CD1-CG 3.27Å; I2-Y108 HydrophobicContact CG1-CD2 4.36Å; I2-Y108 HydrophobicContact CG1-CE2 4.37Å; I2-Y108 HydrophobicContact CG1-CG 4.43Å; I2-N113 PolarHBondContact N-O 2.81Å; I2-I114 HydrophobicContact CB-CG1 4.29Å; I2-I114 HydrophobicContact CD1-CG1 4.19Å; I2-I114 CarbonylContact O-C 3.57Å; I2-I114 WeakPolarHBondContact O-CA 3.24Å; I2-Q115 PolarHBondContact O-N 3.18Å; I2-P229 HydrophobicContact CD1-CB 4.31Å; I2-P229 HydrophobicContact CD1-CG 4.27Å; I2-P229 HydrophobicContact CG1-CB 3.84Å; I2-P229 HydrophobicContact CG1-CG 4.32Å
3H89Confident84.7Confident3 Ų316.4 Ų16.41%0.0148%0.079CC..EExtended strand (participates in β ladder)trans-106.2118.1177.6-6796.2000109.4M1 L40 F48 I49 S50 Q115 Q209M1-H3 PolarHBondContact SD-NE2 3.36Å; M1-H3 VanDerWaalsContact SD-NE2 3.37Å; H3-L40 HydrophobicContact CB-CD1 4.48Å; H3-F48 PolarHBondContact N-O 3.31Å; H3-I49 HydrophobicContact CB-CG1 4.25Å; H3-I49 HydrophobicContact CB-CG2 4.46Å; H3-I49 CarbonylContact O-C 3.57Å; H3-I49 WeakPolarHBondContact O-CA 3.5Å; H3-S50 PolarHBondContact O-N 3.09Å; H3-Q115 CarbonylContact C-O 3.56Å; H3-Q115 WeakPolarHBondContact CA-O 3.41Å; H3-Q115 PolarHBondContact CD2-OE1 3.29Å; H3-Q115 PolarHBondContact NE2-OE1 2.79Å; H3-Q209 PolarHBondContact NE2-NE2 2.88Å
4L92.1Very high84.7Confident1 Ų119.9 Ų19.91%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-102.2108.4174.6-57.7-177.5000108.2I2 L63 F66 I100 L101 A104 I114 Q115 I116 L117I2-L4 HydrophobicContact CG2-CD2 3.96Å; I2-L4 HydrophobicContact CG2-CG 4.39Å; L4-L63 HydrophobicContact CD2-CD1 3.72Å; L4-F66 HydrophobicContact CD2-CE1 3.8Å; L4-F66 HydrophobicContact CD2-CZ 4.11Å; L4-I100 HydrophobicContact CD1-CG2 4.17Å; L4-L101 HydrophobicContact CD1-CD2 3.99Å; L4-A104 HydrophobicContact CD1-CB 4.14Å; L4-I114 HydrophobicContact CD1-CG2 3.57Å; L4-I114 HydrophobicContact CG-CG2 3.89Å; L4-Q115 PolarHBondContact N-O 3.09Å; L4-I116 HydrophobicContact CB-CG1 4.18Å; L4-I116 HydrophobicContact CD1-CG1 4.26Å; L4-I116 CarbonylContact O-C 3.47Å; L4-I116 WeakPolarHBondContact O-CA 3.32Å; L4-L117 PolarHBondContact O-N 2.95Å
5V93.8Very high84.8Confident0 Ų025.1 Ų25.10%012%0.116CC..EExtended strand (participates in β ladder)trans-88.7115.6178.4175.50000108.2A33 I37 I49 S50 V51 C52 L117 F119V5-A33 HydrophobicContact CG1-CB 4.28Å; V5-I37 HydrophobicContact CB-CD1 4.5Å; V5-I37 HydrophobicContact CG1-CD1 4.35Å; V5-I37 HydrophobicContact CG2-CD1 4.15Å; V5-I37 HydrophobicContact CG2-CG1 4.05Å; V5-I49 HydrophobicContact CG2-CG2 3.97Å; V5-S50 PolarHBondContact N-O 3.18Å; V5-V51 HydrophobicContact CB-CG2 4.4Å; V5-C52 PolarHBondContact O-N 3.34Å; V5-L117 HydrophobicContact CG2-CD1 4.46Å; V5-F119 HydrophobicContact CG1-CD2 4.19Å; V5-F119 HydrophobicContact CG1-CE2 3.84Å
6V92.8Very high84.9Confident1 Ų129.1 Ų29.11%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-120.8127.9179.8-174.50000108C52 T54 I97 I116 L117 L118 F119V6-C52 HydrophobicContact CG2-CB 4.1Å; V6-T54 HydrophobicContact CG1-CG2 3.77Å; V6-I97 HydrophobicContact CG1-CD1 4.34Å; V6-I97 HydrophobicContact CG1-CG1 4.13Å; V6-I97 HydrophobicContact CG2-CG1 4.47Å; V6-I116 HydrophobicContact CB-CG2 4.5Å; V6-I116 HydrophobicContact CG2-CG2 3.93Å; V6-L117 PolarHBondContact N-O 3.32Å; V6-L118 HydrophobicContact CB-CD1 3.77Å; V6-L118 HydrophobicContact CG1-CD1 3.56Å; V6-L118 CarbonylContact O-C 3.59Å; V6-L118 WeakPolarHBondContact O-CA 3.14Å; V6-F119 PolarHBondContact O-N 3.38Å
7I90.4Very high85Confident3 Ų328.1 Ų28.12%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-103.9126.5172.9-55.8176.4000106.8R9 L29 A33 I77 F119I7-R9 WeakPolarHBondContact O-CG 3.19Å; I7-L29 HydrophobicContact CG2-CB 4.22Å; I7-A33 HydrophobicContact CD1-CB 3.94Å; I7-A33 HydrophobicContact CG1-CB 4.29Å; I7-I77 HydrophobicContact CD1-CG1 4.41Å; I7-I77 HydrophobicContact CD1-CG2 3.82Å; I7-F119 HydrophobicContact CG1-CB 4.34Å
8D86Confident84.8Confident0 Ų035.7 Ų35.70%018%0.175CC..  trans-58.6139.1173.6-169.53.1000108.9Q10 R12 I13 T93 F119 T120D8-Q10 WeakPolarHBondContact OD1-CG 3.43Å; D8-Q10 PolarHBondContact OD1-N 3.03Å; D8-R12 IonicContact OD2-CZ 3.28Å; D8-R12 IonicContact OD2-NH2 3.75Å; D8-R12 PolarHBondContact OD2-NH2 3.46Å; D8-I13 WeakPolarHBondContact O-CD1 3.31Å; D8-T93 PolarHBondContact OD1-OG1 2.79Å; D8-T93 VanDerWaalsContact OD1-OG1 3.09Å; D8-F119 VanDerWaalsContact CB-O 3.25Å; D8-F119 WeakPolarHBondContact CB-O 3.13Å; D8-F119 PolarHBondContact N-O 3.41Å; D8-T120 PolarHBondContact OD2-OG1 3.46Å
9R81.1Confident84.6Confident2 Ų237.6 Ų37.61%0.00819%0.186CC..  trans-122.27.1-172.2-71.6-52.3-33.9-68.3-34.4113.9I7 T55 I80 A84 F87 P89I7-R9 WeakPolarHBondContact O-CG 3.19Å; R9-T55 HydrophobicContact CB-CG2 3.78Å; R9-T55 HydrophobicContact CG-CG2 3.72Å; R9-I80 PolarHBondContact NH1-O 2.98Å; R9-A84 VanDerWaalsContact NH2-CB 3.27Å; R9-A84 PolarHBondContact NH2-O 2.9Å; R9-F87 PolarHBondContact NH2-O 2.68Å; R9-P89 HydrophobicContact CB-CG 4.3Å
10Q77.7Confident84.7Confident30 Ų3036.8 Ų36.814%0.1418%0.181CC..  trans-61.9143.9177.1-66.7-170.522.100111.6D8 R12 I13 D161D8-Q10 WeakPolarHBondContact OD1-CG 3.43Å; D8-Q10 PolarHBondContact OD1-N 3.03Å; Q10-R12 HydrophobicContact CB-CG 4.17Å; Q10-R12 PolarHBondContact O-N 2.7Å; Q10-I13 WeakPolarHBondContact O-CG1 3.32Å; Q10-I13 PolarHBondContact O-N 3.11Å; Q10-I13 VanDerWaalsContact O-N 3.07Å; Q10-D161 PolarHBondContact NE2-OD1 2.81Å; Q10-D161 PolarHBondContact NE2-OD2 2.82Å; Q10-D161 VanDerWaalsContact NE2-OD2 3.12Å
11L78.4Confident84.7Confident113 Ų11339.5 Ų39.559%0.59220%0.201SC*.G310 helixtrans-48.5-33.3-174.8-178.167000114.1I13 L14 F88L11-I13 PolarHBondContact O-N 2.96Å; L11-I13 VanDerWaalsContact O-N 3.17Å; L11-L14 HydrophobicContact CD1-CD1 4.08Å; L11-L14 WeakPolarHBondContact O-CB 3Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L14 VanDerWaalsContact O-N 3.11Å; L11-F88 HydrophobicContact CB-CD1 4.34Å; L11-F88 HydrophobicContact CB-CE1 4.2Å; L11-F88 HydrophobicContact CD1-CD1 4.12Å; L11-F88 HydrophobicContact CD1-CE1 3.33Å; L11-F88 HydrophobicContact CD1-CE2 4.08Å; L11-F88 HydrophobicContact CD1-CZ 3.31Å; L11-F88 HydrophobicContact CG-CE1 4.38Å
12R78.4Confident85.3Confident45 Ų4543.5 Ų43.517%0.1723%0.231CC..G310 helixtrans-56-31.4-179.263.1168.3177.4-102.9-11.2114.2D8 Q10 L14 R15 D121 S125 S159D8-R12 IonicContact OD2-CZ 3.28Å; D8-R12 IonicContact OD2-NH2 3.75Å; D8-R12 PolarHBondContact OD2-NH2 3.46Å; Q10-R12 HydrophobicContact CB-CG 4.17Å; Q10-R12 PolarHBondContact O-N 2.7Å; R12-L14 PolarHBondContact O-N 3.06Å; R12-L14 VanDerWaalsContact O-N 3.14Å; R12-R15 WeakPolarHBondContact O-CB 3.21Å; R12-R15 WeakPolarHBondContact O-CD 3.44Å; R12-R15 WeakPolarHBondContact O-CG 3.27Å; R12-R15 PolarHBondContact O-N 3.47Å; R12-R15 VanDerWaalsContact O-N 3.09Å; R12-D121 VanDerWaalsContact CD-OD1 3.23Å; R12-D121 WeakPolarHBondContact CD-OD1 3.1Å; R12-D121 IonicContact CZ-OD1 2.93Å; R12-D121 IonicContact NE-OD1 3.96Å; R12-D121 PolarHBondContact NE-OD1 2.92Å; R12-D121 IonicContact NE-OD2 2.6Å; R12-S125 PolarHBondContact NH1-OG 3.38Å; R12-S159 VanDerWaalsContact NH2-CB 3.32Å; R12-S159 PolarHBondContact NH2-OG 3.49Å
13I82.8Confident85.5Confident1 Ų146.5 Ų46.51%0.00524%0.244CC..G310 helixtrans-68.9-14.3-176.972.7-172.1000112.1D8 Q10 L11 R15 C25 S26 L29 D121D8-I13 WeakPolarHBondContact O-CD1 3.31Å; Q10-I13 WeakPolarHBondContact O-CG1 3.32Å; Q10-I13 PolarHBondContact O-N 3.11Å; Q10-I13 VanDerWaalsContact O-N 3.07Å; L11-I13 PolarHBondContact O-N 2.96Å; L11-I13 VanDerWaalsContact O-N 3.17Å; I13-R15 PolarHBondContact O-N 3.37Å; I13-C25 CarbonylContact O-C 3.34Å; I13-C25 WeakPolarHBondContact O-CA 3.48Å; I13-C25 VanDerWaalsContact O-CB 3.3Å; I13-C25 WeakPolarHBondContact O-CB 3.46Å; I13-C25 PolarHBondContact O-N 3.15Å; I13-S26 PolarHBondContact O-N 2.96Å; I13-L29 HydrophobicContact CG2-CD1 4.46Å; I13-D121 HydrophobicContact CG2-CB 4.21Å
14L84.6Confident85.6Confident65 Ų6547.3 Ų47.334%0.3425%0.25SS..G310 helixtrans-76.3-7.2176.1-60.8-175000112.4L11 R12 F88L11-L14 HydrophobicContact CD1-CD1 4.08Å; L11-L14 WeakPolarHBondContact O-CB 3Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L14 VanDerWaalsContact O-N 3.11Å; R12-L14 PolarHBondContact O-N 3.06Å; R12-L14 VanDerWaalsContact O-N 3.14Å; L14-F88 HydrophobicContact CD1-CE1 3.82Å; L14-F88 HydrophobicContact CD1-CZ 3.78Å
15R86.3Confident85.4Confident99 Ų9947.5 Ų47.537%0.37425%0.252SS..SBendtrans-62.5147.617473.2-167.2167.5136-3.3111.3R12 I13 S24 C25 D121R12-R15 WeakPolarHBondContact O-CB 3.21Å; R12-R15 WeakPolarHBondContact O-CD 3.44Å; R12-R15 WeakPolarHBondContact O-CG 3.27Å; R12-R15 PolarHBondContact O-N 3.47Å; R12-R15 VanDerWaalsContact O-N 3.09Å; I13-R15 PolarHBondContact O-N 3.37Å; R15-S24 CarbonylContact O-C 3.56Å; R15-S24 WeakPolarHBondContact O-CA 3.33Å; R15-C25 PolarHBondContact O-N 3.03Å; R15-D121 IonicContact CZ-OD2 3.28Å; R15-D121 VanDerWaalsContact CZ-OD2 3.27Å; R15-D121 IonicContact NE-OD2 3.3Å; R15-D121 PolarHBondContact NE-OD2 3.26Å; R15-D121 PolarHBondContact NH2-O 3.24Å; R15-D121 IonicContact NH2-OD2 3.29Å; R15-D121 PolarHBondContact NH2-OD2 2.88Å
16P86.7Confident85.2Confident89 Ų8947.7 Ų47.758%0.57825%0.253SS*.BIsolated β-bridgetrans-57.1143.1168.7-22.833.9000111.1
17N85.7Confident85.1Confident12 Ų1250.5 Ų50.56%0.06427%0.266CS..PPolyproline II helixtrans-75.1144.5173.5-176.2-93000111.1N19 F20 P21 F23 L28N17-N19 PolarHBondContact O-N 3.26Å; N17-N19 WeakPolarHBondContact OD1-CB 3.4Å; N17-N19 PolarHBondContact OD1-N 3.02Å; N17-F20 CarbonylContact O-C 3.6Å; N17-F20 PolarHBondContact OD1-N 3.3Å; N17-F20 VanDerWaalsContact OD1-N 3.11Å; N17-P21 WeakPolarHBondContact O-CA 3.26Å; N17-F23 PolarHBondContact N-O 3Å; N17-L28 HydrophobicContact CB-CD1 3.4Å
18E81.8Confident85.2Confident165 Ų16550.4 Ų50.477%0.77127%0.265SS*.SBendtrans-65.3-39.5-178.3-64.7179.7-179.300112.9
19N81.5Confident85.5Confident71 Ų7150.4 Ų50.438%0.3827%0.265SS..SBendtrans-84.1-30.5-179.3-63.5-40.5000112.4N17N17-N19 PolarHBondContact O-N 3.26Å; N17-N19 WeakPolarHBondContact OD1-CB 3.4Å; N17-N19 PolarHBondContact OD1-N 3.02Å
20F85.5Confident86.1Confident22 Ų2250.3 Ų50.310%0.09627%0.265CS..  trans-12976.9179.9-56.7-71.6000111.2N17 S22 F23 L28 V190 Y193N17-F20 CarbonylContact O-C 3.6Å; N17-F20 PolarHBondContact OD1-N 3.3Å; N17-F20 VanDerWaalsContact OD1-N 3.11Å; F20-S22 PolarHBondContact O-N 3.25Å; F20-F23 HydrophobicContact CB-CD2 4.19Å; F20-F23 PolarHBondContact O-N 3.28Å; F20-L28 HydrophobicContact CB-CD1 4.36Å; F20-L28 HydrophobicContact CD2-CD1 4.24Å; F20-V190 HydrophobicContact CB-CG2 4.41Å; F20-V190 HydrophobicContact CD1-CG2 3.46Å; F20-V190 VanDerWaalsContact CD1-CG2 3.46Å; F20-V190 HydrophobicContact CD2-CG2 4.44Å; F20-V190 HydrophobicContact CE1-CG2 3.71Å; F20-V190 HydrophobicContact CG-CG2 3.85Å; F20-V190 HydrophobicContact CZ-CG2 4.31Å; F20-Y193 HydrophobicContact CD2-CD1 4.41Å; F20-Y193 HydrophobicContact CD2-CE1 4.49Å; F20-Y193 AromaticContact CE2-CD1 3.6Å; F20-Y193 HydrophobicContact CE2-CD1 3.6Å; F20-Y193 HydrophobicContact CE2-CD2 4.13Å; F20-Y193 AromaticContact CE2-CE1 3.91Å; F20-Y193 HydrophobicContact CE2-CE1 3.91Å; F20-Y193 HydrophobicContact CE2-CE2 4.4Å; F20-Y193 AromaticContact CE2-CG 3.71Å; F20-Y193 HydrophobicContact CE2-CG 3.71Å; F20-Y193 HydrophobicContact CZ-CD1 4.31Å; F20-Y193 HydrophobicContact CZ-CD2 4.44Å; F20-Y193 HydrophobicContact CZ-CG 4.02Å
21P85.1Confident86.9Confident93 Ų9351.6 Ų51.660%0.60427%0.272SS*.THydrogen-bonded Turntrans-61.5-18.1-173.9-24.734.5000115N17 F23N17-P21 WeakPolarHBondContact O-CA 3.26Å; P21-F23 PolarHBondContact O-N 2.75Å
22S87.9Confident87.6Confident99 Ų9946.3 Ų46.369%0.69224%0.244SC*.THydrogen-bonded Turntrans-73.3-13.6175.250.70000113.9F20F20-S22 PolarHBondContact O-N 3.25Å
23F88.8Confident88.4Confident62 Ų6244.1 Ų44.127%0.27224%0.236SC..SBendtrans-119141.2179.4-63.1-92.8000110.2N17 F20 P21 Q27 L28 M31 V190N17-F23 PolarHBondContact N-O 3Å; F20-F23 HydrophobicContact CB-CD2 4.19Å; F20-F23 PolarHBondContact O-N 3.28Å; P21-F23 PolarHBondContact O-N 2.75Å; F23-Q27 HydrophobicContact CD1-CB 4.41Å; F23-L28 HydrophobicContact CB-CD1 4.38Å; F23-L28 HydrophobicContact CB-CD2 3.82Å; F23-L28 HydrophobicContact CB-CG 3.84Å; F23-L28 HydrophobicContact CG-CD2 4.05Å; F23-M31 HydrophobicContact CD1-SD 4.36Å; F23-M31 HydrophobicContact CE1-SD 4.24Å; F23-V190 HydrophobicContact CD2-CG2 4.12Å; F23-V190 HydrophobicContact CE2-CB 4.46Å; F23-V190 HydrophobicContact CE2-CG1 4.44Å; F23-V190 HydrophobicContact CE2-CG2 3.7Å; F23-V190 HydrophobicContact CZ-CG2 4.4Å
24S89.6Confident89Confident21 Ų2145.8 Ų45.815%0.14724%0.243CC..BIsolated β-bridgetrans-72.9155.6166.269.30000110.6R15 S26 Q27 L28R15-S24 CarbonylContact O-C 3.56Å; R15-S24 WeakPolarHBondContact O-CA 3.33Å; S24-S26 PolarHBondContact O-N 3.4Å; S24-Q27 PolarHBondContact O-N 3.37Å; S24-Q27 VanDerWaalsContact O-N 3.1Å; S24-Q27 WeakPolarHBondContact OG-CG 3.35Å; S24-Q27 PolarHBondContact OG-N 3.41Å; S24-Q27 PolarHBondContact OG-OE1 2.91Å; S24-L28 PolarHBondContact O-N 3.23Å; S24-L28 VanDerWaalsContact O-N 3.13Å
25C89Confident89.4Confident5 Ų543.7 Ų43.73%0.03423%0.234CC..Hα-helixtrans-56.1-37.6173.3-670000111I13 R15 Q27 L28 L29 D121 L153I13-C25 CarbonylContact O-C 3.34Å; I13-C25 WeakPolarHBondContact O-CA 3.48Å; I13-C25 VanDerWaalsContact O-CB 3.3Å; I13-C25 WeakPolarHBondContact O-CB 3.46Å; I13-C25 PolarHBondContact O-N 3.15Å; R15-C25 PolarHBondContact O-N 3.03Å; C25-Q27 PolarHBondContact O-N 2.89Å; C25-L28 PolarHBondContact O-N 3.14Å; C25-L29 WeakPolarHBondContact O-CB 3.34Å; C25-L29 VanDerWaalsContact O-CG 3.23Å; C25-L29 WeakPolarHBondContact O-CG 3.2Å; C25-L29 PolarHBondContact O-N 3.3Å; C25-D121 HydrophobicContact CB-CB 4.03Å; C25-L153 HydrophobicContact CB-CD1 4.38Å
26S89.4Confident89.7Confident4 Ų439 Ų393%0.02822%0.216CC..Hα-helixtrans-56.3-46.7174.9-166.50000112.8I13 S24 L29 C30I13-S26 PolarHBondContact O-N 2.96Å; S24-S26 PolarHBondContact O-N 3.4Å; S26-L29 PolarHBondContact O-N 3.37Å; S26-C30 WeakPolarHBondContact O-CB 3.48Å; S26-C30 PolarHBondContact O-N 3.23Å; S26-C30 PolarHBondContact O-SG 3.31Å
27Q90.9Very high90Very high60 Ų6034.7 Ų34.728%0.2819%0.188SC..Hα-helixtrans-63.4-45.2178.8-74.1171.7-44.500110.9F23 S24 C25 C30 M31F23-Q27 HydrophobicContact CD1-CB 4.41Å; S24-Q27 PolarHBondContact O-N 3.37Å; S24-Q27 VanDerWaalsContact O-N 3.1Å; S24-Q27 WeakPolarHBondContact OG-CG 3.35Å; S24-Q27 PolarHBondContact OG-N 3.41Å; S24-Q27 PolarHBondContact OG-OE1 2.91Å; C25-Q27 PolarHBondContact O-N 2.89Å; Q27-C30 PolarHBondContact O-N 3.1Å; Q27-M31 VanDerWaalsContact O-CG 3.31Å; Q27-M31 WeakPolarHBondContact O-CG 3.2Å; Q27-M31 PolarHBondContact O-N 3.26Å
28L91.6Very high90.3Very high0 Ų035.7 Ų35.70%020%0.195CC..Hα-helixtrans-64.1-41.6177.4-65.9179000112.2N17 F20 F23 S24 C25 C30 M31 L32 L153 V190N17-L28 HydrophobicContact CB-CD1 3.4Å; F20-L28 HydrophobicContact CB-CD1 4.36Å; F20-L28 HydrophobicContact CD2-CD1 4.24Å; F23-L28 HydrophobicContact CB-CD1 4.38Å; F23-L28 HydrophobicContact CB-CD2 3.82Å; F23-L28 HydrophobicContact CB-CG 3.84Å; F23-L28 HydrophobicContact CG-CD2 4.05Å; S24-L28 PolarHBondContact O-N 3.23Å; S24-L28 VanDerWaalsContact O-N 3.13Å; C25-L28 PolarHBondContact O-N 3.14Å; L28-C30 VanDerWaalsContact C-N 3.34Å; L28-C30 PolarHBondContact O-N 3.42Å; L28-M31 PolarHBondContact O-N 2.98Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 3.3Å; L28-L153 HydrophobicContact CB-CD1 4.14Å; L28-V190 HydrophobicContact CD2-CG1 3.73Å
29L93Very high90.7Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-61.7-41.9175-69.6173.3000111.3I7 I13 C25 S26 L32 A33 F119 T120 L153I7-L29 HydrophobicContact CG2-CB 4.22Å; I13-L29 HydrophobicContact CG2-CD1 4.46Å; C25-L29 WeakPolarHBondContact O-CB 3.34Å; C25-L29 VanDerWaalsContact O-CG 3.23Å; C25-L29 WeakPolarHBondContact O-CG 3.2Å; C25-L29 PolarHBondContact O-N 3.3Å; S26-L29 PolarHBondContact O-N 3.37Å; L29-L32 PolarHBondContact O-N 3.11Å; L29-A33 VanDerWaalsContact O-CB 3.3Å; L29-A33 WeakPolarHBondContact O-CB 3.49Å; L29-A33 PolarHBondContact O-N 3.4Å; L29-F119 HydrophobicContact CB-CB 4.38Å; L29-F119 HydrophobicContact CD2-CB 3.99Å; L29-T120 WeakPolarHBondContact CD2-O 3.41Å; L29-L153 HydrophobicContact CD2-CD1 3.5Å; L29-L153 VanDerWaalsContact CD2-CD1 3.5Å; L29-L153 HydrophobicContact CD2-CD2 4.29Å; L29-L153 HydrophobicContact CD2-CG 3.55Å; L29-L153 HydrophobicContact CG-CD1 3.67Å; L29-L153 HydrophobicContact CG-CG 4.3Å
30C93.7Very high91Very high1 Ų127 Ų271%0.00715%0.151CC..Hα-helixtrans-65.1-43.3176.3-67.50000111.6S26 Q27 L28 L32 A33 K34 I77S26-C30 WeakPolarHBondContact O-CB 3.48Å; S26-C30 PolarHBondContact O-N 3.23Å; S26-C30 PolarHBondContact O-SG 3.31Å; Q27-C30 PolarHBondContact O-N 3.1Å; L28-C30 VanDerWaalsContact C-N 3.34Å; L28-C30 PolarHBondContact O-N 3.42Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.24Å; C30-A33 PolarHBondContact O-N 3.13Å; C30-K34 WeakPolarHBondContact O-CB 3.06Å; C30-K34 WeakPolarHBondContact O-CD 3.29Å; C30-K34 WeakPolarHBondContact O-CG 3.41Å; C30-K34 PolarHBondContact O-N 2.93Å; C30-I77 HydrophobicContact CB-CG2 3.83Å
31M94Very high91Very high57 Ų5726.8 Ų26.828%0.28115%0.152SC..Hα-helixtrans-60.6-43174-70.7177.170.500111.6F23 Q27 L28 K34 S35 V190 I194F23-M31 HydrophobicContact CD1-SD 4.36Å; F23-M31 HydrophobicContact CE1-SD 4.24Å; Q27-M31 VanDerWaalsContact O-CG 3.31Å; Q27-M31 WeakPolarHBondContact O-CG 3.2Å; Q27-M31 PolarHBondContact O-N 3.26Å; L28-M31 PolarHBondContact O-N 2.98Å; M31-K34 PolarHBondContact O-N 3.32Å; M31-S35 PolarHBondContact O-N 3.21Å; M31-V190 HydrophobicContact CE-CG1 3.82Å; M31-V190 HydrophobicContact SD-CG1 4.29Å; M31-I194 HydrophobicContact CB-CD1 4.24Å; M31-I194 HydrophobicContact CB-CG1 4.27Å; M31-I194 HydrophobicContact CB-CG2 4.46Å
32L94.5Very high91Very high1 Ų128.2 Ų28.21%0.00516%0.155CC..Hα-helixtrans-65-47.9177.8-171.460.3000111.8L28 L29 C30 K34 S35 V36 F119 I151 L153 I194 L197 A198 I201L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 3.11Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-L32 PolarHBondContact O-N 3.24Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.31Å; L32-S35 PolarHBondContact O-N 2.6Å; L32-S35 VanDerWaalsContact O-N 3.12Å; L32-V36 WeakPolarHBondContact O-CG2 3.49Å; L32-V36 PolarHBondContact O-N 3.46Å; L32-F119 HydrophobicContact CB-CD1 4.48Å; L32-F119 HydrophobicContact CB-CE1 4.36Å; L32-F119 HydrophobicContact CD2-CD1 4.17Å; L32-F119 HydrophobicContact CD2-CE1 4.13Å; L32-F119 HydrophobicContact CG-CD1 4.3Å; L32-F119 HydrophobicContact CG-CE1 3.92Å; L32-I151 HydrophobicContact CD2-CG2 3.94Å; L32-L153 HydrophobicContact CD2-CD2 4.25Å; L32-I194 HydrophobicContact CB-CD1 3.89Å; L32-I194 HydrophobicContact CD1-CD1 4.28Å; L32-I194 HydrophobicContact CD1-CG2 4.19Å; L32-L197 HydrophobicContact CD1-CB 3.67Å; L32-L197 HydrophobicContact CD1-CD1 4.5Å; L32-A198 HydrophobicContact CD1-CB 4.25Å; L32-I201 HydrophobicContact CD1-CD1 4.03Å; L32-I201 HydrophobicContact CD2-CD1 3.89Å; L32-I201 HydrophobicContact CG-CD1 4.08Å
33A94.2Very high90.6Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-59-43.3176.600000111.6V5 I7 L29 C30 S35 V36 I37 I77 F119V5-A33 HydrophobicContact CG1-CB 4.28Å; I7-A33 HydrophobicContact CD1-CB 3.94Å; I7-A33 HydrophobicContact CG1-CB 4.29Å; L29-A33 VanDerWaalsContact O-CB 3.3Å; L29-A33 WeakPolarHBondContact O-CB 3.49Å; L29-A33 PolarHBondContact O-N 3.4Å; C30-A33 PolarHBondContact O-N 3.13Å; A33-S35 VanDerWaalsContact C-N 3.33Å; A33-S35 PolarHBondContact O-N 2.91Å; A33-V36 PolarHBondContact O-N 3.38Å; A33-I37 WeakPolarHBondContact O-CG1 3.49Å; A33-I37 PolarHBondContact O-N 3.05Å; A33-I77 HydrophobicContact CB-CD1 3.78Å; A33-F119 HydrophobicContact CB-CD1 4.24Å; A33-F119 HydrophobicContact CB-CD2 4.13Å; A33-F119 HydrophobicContact CB-CE1 4.09Å; A33-F119 HydrophobicContact CB-CE2 4Å; A33-F119 HydrophobicContact CB-CG 4.26Å; A33-F119 HydrophobicContact CB-CZ 3.97Å
34K95.2Very high89.3Confident36 Ų3631.2 Ų31.216%0.15716%0.159CC..Hα-helixtrans-59-42.6174.1-73.3163.8179.1165.10111.9C30 M31 L32 V38 R74 I77 D78 E81C30-K34 WeakPolarHBondContact O-CB 3.06Å; C30-K34 WeakPolarHBondContact O-CD 3.29Å; C30-K34 WeakPolarHBondContact O-CG 3.41Å; C30-K34 PolarHBondContact O-N 2.93Å; M31-K34 PolarHBondContact O-N 3.32Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.31Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 3.07Å; K34-R74 HydrophobicContact CG-CG 4.31Å; K34-I77 HydrophobicContact CD-CG2 4.35Å; K34-I77 HydrophobicContact CG-CB 4.23Å; K34-I77 HydrophobicContact CG-CD1 3.85Å; K34-I77 HydrophobicContact CG-CG2 4.06Å; K34-D78 WeakPolarHBondContact CE-OD1 3.48Å; K34-D78 IonicContact NZ-OD1 3.31Å; K34-D78 PolarHBondContact NZ-OD1 3.3Å; K34-E81 IonicContact NZ-OE2 2.95Å; K34-E81 PolarHBondContact NZ-OE2 3.39Å
35S93.6Very high88.1Confident20 Ų2032 Ų3214%0.1416%0.162CC..Hα-helixtrans-68.1-43.2178.3-172.10000112.2M31 L32 A33 V38 K39 A198M31-S35 PolarHBondContact O-N 3.21Å; L32-S35 PolarHBondContact O-N 2.6Å; L32-S35 VanDerWaalsContact O-N 3.12Å; A33-S35 VanDerWaalsContact C-N 3.33Å; A33-S35 PolarHBondContact O-N 2.91Å; S35-V38 PolarHBondContact O-N 3.28Å; S35-K39 PolarHBondContact O-N 3.49Å; S35-K39 VanDerWaalsContact O-N 3.16Å; S35-A198 VanDerWaalsContact OG-CB 3.24Å; S35-A198 WeakPolarHBondContact OG-CB 3.25Å
36V93.2Very high86.9Confident0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-61.2-45.8176.2171.30000111.1L32 A33 V38 K39 L40 L117 F119 A198 I201 I202L32-V36 WeakPolarHBondContact O-CG2 3.49Å; L32-V36 PolarHBondContact O-N 3.46Å; A33-V36 PolarHBondContact O-N 3.38Å; V36-V38 VanDerWaalsContact C-N 3.33Å; V36-V38 PolarHBondContact O-N 2.94Å; V36-K39 PolarHBondContact O-N 3.17Å; V36-L40 HydrophobicContact CG1-CD1 3.92Å; V36-L40 HydrophobicContact CG1-CG 4.18Å; V36-L40 WeakPolarHBondContact O-CG 3.1Å; V36-L40 PolarHBondContact O-N 3.33Å; V36-L117 HydrophobicContact CG1-CD1 4.11Å; V36-F119 HydrophobicContact CB-CZ 4.11Å; V36-F119 HydrophobicContact CG1-CZ 4.25Å; V36-F119 HydrophobicContact CG2-CE1 4.21Å; V36-F119 HydrophobicContact CG2-CZ 4.08Å; V36-A198 HydrophobicContact CG2-CB 3.87Å; V36-I201 HydrophobicContact CG1-CG2 4.2Å; V36-I201 HydrophobicContact CG2-CB 4.2Å; V36-I201 HydrophobicContact CG2-CD1 3.95Å; V36-I201 HydrophobicContact CG2-CG2 3.98Å; V36-I202 HydrophobicContact CG1-CD1 4.08Å
37I92.3Very high86Confident0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-58-44.8177.9-74.1-179000111.7V5 A33 K39 L40 C41 I49 V51 L73 I77V5-I37 HydrophobicContact CB-CD1 4.5Å; V5-I37 HydrophobicContact CG1-CD1 4.35Å; V5-I37 HydrophobicContact CG2-CD1 4.15Å; V5-I37 HydrophobicContact CG2-CG1 4.05Å; A33-I37 WeakPolarHBondContact O-CG1 3.49Å; A33-I37 PolarHBondContact O-N 3.05Å; I37-K39 VanDerWaalsContact C-N 3.3Å; I37-K39 PolarHBondContact O-N 3.46Å; I37-L40 PolarHBondContact O-N 3.49Å; I37-C41 WeakPolarHBondContact O-CB 3.32Å; I37-C41 PolarHBondContact O-N 2.95Å; I37-C41 PolarHBondContact O-SG 2.85Å; I37-C41 VanDerWaalsContact O-SG 3.39Å; I37-I49 HydrophobicContact CD1-CG2 4.49Å; I37-I49 HydrophobicContact CG1-CG2 4.36Å; I37-V51 HydrophobicContact CD1-CG2 3.62Å; I37-L73 HydrophobicContact CD1-CB 4.16Å; I37-L73 HydrophobicContact CG2-CB 3.8Å; I37-L73 HydrophobicContact CG2-CD1 3.57Å; I37-L73 HydrophobicContact CG2-CG 4.34Å; I37-I77 HydrophobicContact CD1-CD1 3.51Å; I37-I77 HydrophobicContact CD1-CG1 4.38Å
38V92Very high85.5Confident32 Ų3233.4 Ų33.419%0.19417%0.172CC..Hα-helixtrans-59.6-45.4179.1175.40000110.5K34 S35 V36 C41 N42 V70K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 3.07Å; S35-V38 PolarHBondContact O-N 3.28Å; V36-V38 VanDerWaalsContact C-N 3.33Å; V36-V38 PolarHBondContact O-N 2.94Å; V38-C41 PolarHBondContact O-N 3.39Å; V38-N42 WeakPolarHBondContact O-CB 3.42Å; V38-N42 PolarHBondContact O-N 3.28Å; V38-N42 PolarHBondContact O-ND2 3.22Å; V38-V70 HydrophobicContact CB-CG1 4.48Å; V38-V70 HydrophobicContact CG2-CG1 3.61Å
39K90.3Very high85.3Confident53 Ų5333.4 Ų33.423%0.2317%0.172CC..Hα-helixtrans-68.9-36.8178.9-65.6-176.6-166.4-750112S35 V36 I37 N42 L43 D195 A198 I202S35-K39 PolarHBondContact O-N 3.49Å; S35-K39 VanDerWaalsContact O-N 3.16Å; V36-K39 PolarHBondContact O-N 3.17Å; I37-K39 VanDerWaalsContact C-N 3.3Å; I37-K39 PolarHBondContact O-N 3.46Å; K39-N42 PolarHBondContact O-N 2.94Å; K39-L43 PolarHBondContact O-N 3.5Å; K39-D195 WeakPolarHBondContact CE-OD1 3.41Å; K39-D195 VanDerWaalsContact NZ-CG 3.32Å; K39-D195 IonicContact NZ-OD1 2.72Å; K39-D195 PolarHBondContact NZ-OD1 3.21Å; K39-D195 IonicContact NZ-OD2 2.96Å; K39-D195 PolarHBondContact NZ-OD2 3.48Å; K39-A198 HydrophobicContact CD-CB 3.99Å; K39-I202 HydrophobicContact CB-CD1 3.83Å; K39-I202 HydrophobicContact CB-CG1 3.68Å; K39-I202 HydrophobicContact CD-CG1 4.22Å
40L87.6Confident85.2Confident0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-62.9-46.4173.6-74.6174.1000111.9H3 V36 I37 N42 L43 P46 I49 L117 I202H3-L40 HydrophobicContact CB-CD1 4.48Å; V36-L40 HydrophobicContact CG1-CD1 3.92Å; V36-L40 HydrophobicContact CG1-CG 4.18Å; V36-L40 WeakPolarHBondContact O-CG 3.1Å; V36-L40 PolarHBondContact O-N 3.33Å; I37-L40 PolarHBondContact O-N 3.49Å; L40-N42 PolarHBondContact O-N 3.5Å; L40-L43 HydrophobicContact CD2-CD1 3.99Å; L40-L43 WeakPolarHBondContact O-CB 3.35Å; L40-L43 WeakPolarHBondContact O-CG 3.36Å; L40-L43 PolarHBondContact O-N 3.23Å; L40-L43 VanDerWaalsContact O-N 3.12Å; L40-P46 WeakPolarHBondContact O-CA 3.41Å; L40-P46 WeakPolarHBondContact O-CB 3.24Å; L40-I49 HydrophobicContact CB-CD1 3.56Å; L40-I49 HydrophobicContact CD1-CD1 4.13Å; L40-L117 HydrophobicContact CD1-CD1 3.73Å; L40-I202 HydrophobicContact CB-CD1 4.3Å; L40-I202 HydrophobicContact CD2-CD1 3.45Å; L40-I202 VanDerWaalsContact CD2-CD1 3.45Å; L40-I202 HydrophobicContact CG-CD1 3.45Å; L40-I202 VanDerWaalsContact CG-CD1 3.45Å
41C85.7Confident85.1Confident18 Ų1833.7 Ų33.712%0.12217%0.174CC..Hα-helixtrans-61.7-27.3177.1-75.80000113.1I37 V38 P46 S68 V70I37-C41 WeakPolarHBondContact O-CB 3.32Å; I37-C41 PolarHBondContact O-N 2.95Å; I37-C41 PolarHBondContact O-SG 2.85Å; I37-C41 VanDerWaalsContact O-SG 3.39Å; V38-C41 PolarHBondContact O-N 3.39Å; C41-P46 WeakPolarHBondContact O-CB 3.47Å; C41-S68 PolarHBondContact SG-O 3.37Å; C41-S68 VanDerWaalsContact SG-O 3.41Å; C41-V70 HydrophobicContact CB-CG2 3.54Å
42N84.3Confident85Confident123 Ų12331.1 Ų31.166%0.65816%0.161SC*.THydrogen-bonded Turntrans-86.9-1.7178.6-69.4-17.2000113.7V38 K39 L40V38-N42 WeakPolarHBondContact O-CB 3.42Å; V38-N42 PolarHBondContact O-N 3.28Å; V38-N42 PolarHBondContact O-ND2 3.22Å; K39-N42 PolarHBondContact O-N 2.94Å; L40-N42 PolarHBondContact O-N 3.5Å
43L79.1Confident84.5Confident35 Ų3532.1 Ų32.118%0.18317%0.167CC..SBendtrans-67.3152172.9-62.4-178.2000110.4K39 L40 N45 P46 I202K39-L43 PolarHBondContact O-N 3.5Å; L40-L43 HydrophobicContact CD2-CD1 3.99Å; L40-L43 WeakPolarHBondContact O-CB 3.35Å; L40-L43 WeakPolarHBondContact O-CG 3.36Å; L40-L43 PolarHBondContact O-N 3.23Å; L40-L43 VanDerWaalsContact O-N 3.12Å; L43-N45 PolarHBondContact O-N 2.73Å; L43-P46 WeakPolarHBondContact O-CD 3.3Å; L43-I202 HydrophobicContact CD2-CG2 4.13Å
44E62.1Low83.7Confident189 Ų18932.4 Ų32.488%0.88317%0.168SC*.SBendtrans-54.1-28.7177.7-68.9-174.1165.500113.1
45N65.5Low82.3Confident39 Ų3931.4 Ų31.421%0.20917%0.165CC..SBendtrans-134.483.6175.9-64-76.4000108.3L43 G47 I211L43-N45 PolarHBondContact O-N 2.73Å; N45-G47 PolarHBondContact O-N 2.84Å; N45-I211 HydrophobicContact CB-CD1 3.56Å
46P62.1Low80.6Confident33 Ų3331.9 Ų31.921%0.21417%0.169CC..  trans-66.1-7.9-168.926.6-34.1000113.7L40 C41 L43L40-P46 WeakPolarHBondContact O-CA 3.41Å; L40-P46 WeakPolarHBondContact O-CB 3.24Å; C41-P46 WeakPolarHBondContact O-CB 3.47Å; L43-P46 WeakPolarHBondContact O-CD 3.3Å
47G71Confident78.7Confident8 Ų839.7 Ų39.78%0.08221%0.209CC..  trans63.9-160.3-173.600000111M1 N45M1-G47 VanDerWaalsContact O-CA 3.24Å; M1-G47 WeakPolarHBondContact O-CA 3.39Å; N45-G47 PolarHBondContact O-N 2.84Å
48F79.6Confident77Confident56 Ų5642.7 Ų42.725%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-109.8124.6170.9-69.3-72.6000108.3M1 I2 H3 F66 Y108 L228 P229M1-F48 PolarHBondContact O-N 2.9Å; I2-F48 CarbonylContact C-O 3.26Å; I2-F48 WeakPolarHBondContact CA-O 3.5Å; H3-F48 PolarHBondContact N-O 3.31Å; F48-F66 HydrophobicContact CB-CB 4.23Å; F48-F66 HydrophobicContact CB-CD1 3.93Å; F48-F66 HydrophobicContact CB-CG 4.4Å; F48-F66 HydrophobicContact CD1-CB 4.43Å; F48-Y108 HydrophobicContact CD2-CE1 4.19Å; F48-Y108 HydrophobicContact CE2-CE1 4.48Å; F48-L228 HydrophobicContact CE2-CB 4.21Å; F48-P229 HydrophobicContact CD2-CB 4.3Å
49I88.5Confident75.1Confident0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-106.9133.1179.2-50.7179.5000108.2H3 V5 I37 L40 F66 S67 L73H3-I49 HydrophobicContact CB-CG1 4.25Å; H3-I49 HydrophobicContact CB-CG2 4.46Å; H3-I49 CarbonylContact O-C 3.57Å; H3-I49 WeakPolarHBondContact O-CA 3.5Å; V5-I49 HydrophobicContact CG2-CG2 3.97Å; I37-I49 HydrophobicContact CD1-CG2 4.49Å; I37-I49 HydrophobicContact CG1-CG2 4.36Å; L40-I49 HydrophobicContact CB-CD1 3.56Å; L40-I49 HydrophobicContact CD1-CD1 4.13Å; I49-F66 WeakPolarHBondContact O-CA 3.18Å; I49-S67 PolarHBondContact N-O 3.2Å; I49-S67 PolarHBondContact O-N 3.25Å; I49-L73 HydrophobicContact CB-CD1 3.98Å; I49-L73 HydrophobicContact CB-CD2 4.4Å; I49-L73 HydrophobicContact CD1-CD1 4.34Å; I49-L73 HydrophobicContact CG2-CD1 4.15Å; I49-L73 HydrophobicContact CG2-CD2 4.29Å
50S91.5Very high73.8Confident0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-127.6131.7169174.70000109.7H3 V5 G64 F66H3-S50 PolarHBondContact O-N 3.09Å; V5-S50 PolarHBondContact N-O 3.18Å; S50-G64 VanDerWaalsContact OG-C 3.22Å; S50-G64 WeakPolarHBondContact OG-CA 3.45Å; S50-G64 PolarHBondContact OG-N 3.35Å; S50-G64 PolarHBondContact OG-O 3.39Å; S50-F66 VanDerWaalsContact CB-CE1 3.44Å
51V91.9Very high72.9Confident8 Ų848.7 Ų48.75%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-89.5119.6171.5179.70000107.3V5 I37 G64 L73 A76 I77 I80V5-V51 HydrophobicContact CB-CG2 4.4Å; I37-V51 HydrophobicContact CD1-CG2 3.62Å; V51-G64 WeakPolarHBondContact O-CA 3.42Å; V51-G64 PolarHBondContact O-N 2.85Å; V51-L73 HydrophobicContact CG2-CB 4.42Å; V51-L73 HydrophobicContact CG2-CD2 4.03Å; V51-A76 HydrophobicContact CB-CB 3.94Å; V51-A76 HydrophobicContact CG1-CB 4.12Å; V51-A76 HydrophobicContact CG2-CB 4.31Å; V51-I77 HydrophobicContact CG1-CG1 3.87Å; V51-I77 HydrophobicContact CG2-CG1 4.1Å; V51-I80 HydrophobicContact CG1-CD1 3.49Å; V51-I80 VanDerWaalsContact CG1-CD1 3.49Å
52C90.1Very high72.6Confident2 Ų249.9 Ų49.91%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-102.9139.3-174.4-500000110.5V5 V6 I100V5-C52 PolarHBondContact O-N 3.34Å; V6-C52 HydrophobicContact CG2-CB 4.1Å; C52-I100 HydrophobicContact CB-CD1 3.77Å; C52-I100 HydrophobicContact CB-CG1 4.47Å; C52-I100 HydrophobicContact CB-CG2 4.11Å
53D83.8Confident72.6Confident22 Ų2245.1 Ų45.112%0.11825%0.247CC..BIsolated β-bridgetrans-107.3120.4177.7-172.1-3.4000110.1T55 G61 S62 I80D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 WeakPolarHBondContact OD1-CA 3.48Å; D53-T55 WeakPolarHBondContact OD1-CB 3.18Å; D53-T55 PolarHBondContact OD1-N 3.42Å; D53-T55 PolarHBondContact OD1-OG1 3.12Å; D53-T55 PolarHBondContact OD2-OG1 3.03Å; D53-G61 CarbonylContact O-C 3.58Å; D53-G61 WeakPolarHBondContact O-CA 3.42Å; D53-S62 PolarHBondContact N-O 2.97Å; D53-S62 PolarHBondContact O-N 2.87Å; D53-I80 HydrophobicContact CB-CD1 4.21Å; D53-I80 HydrophobicContact CB-CG1 4.19Å
54T78.3Confident72.8Confident6 Ų644.2 Ų44.24%0.03725%0.246CC..SBendtrans-87.81.4177.954.20000112.9V6 T93 I100V6-T54 HydrophobicContact CG1-CG2 3.77Å; T54-T93 HydrophobicContact CG2-CG2 4.48Å; T54-I100 HydrophobicContact CG2-CD1 4.26Å
55T65.6Low73.9Confident15 Ų1540.5 Ų40.59%0.09224%0.239CC..  trans-109.44.2-172.867.60000114.9R9 D53 L57R9-T55 HydrophobicContact CB-CG2 3.78Å; R9-T55 HydrophobicContact CG-CG2 3.72Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 WeakPolarHBondContact OD1-CA 3.48Å; D53-T55 WeakPolarHBondContact OD1-CB 3.18Å; D53-T55 PolarHBondContact OD1-N 3.42Å; D53-T55 PolarHBondContact OD1-OG1 3.12Å; D53-T55 PolarHBondContact OD2-OG1 3.03Å; T55-L57 PolarHBondContact O-N 3.45Å
56S57.9Low74.8Confident30 Ų3041.1 Ų41.121%0.2124%0.239CC..  trans-52.5141.9-176.7910000110.8S58S56-S58 CarbonylContact C-O 3.57Å; S56-S58 CarbonylContact O-C 3.57Å; S56-S58 PolarHBondContact O-N 2.93Å; S56-S58 PolarHBondContact OG-N 3.35Å; S56-S58 PolarHBondContact OG-O 3.27Å; S56-S58 PolarHBondContact OG-OG 3.41Å
57L53.3Low75.9Confident164 Ų16440.8 Ų40.886%0.85924%0.238SC*.SBendtrans-54.4-19.4175.2-91.483.1000112.8T55T55-L57 PolarHBondContact O-N 3.45Å
58S56.7Low76.4Confident64 Ų6444.2 Ų44.245%0.44826%0.261SS..SBendtrans-79.6130.2166.987.40000109.5S56 K60S56-S58 CarbonylContact C-O 3.57Å; S56-S58 CarbonylContact O-C 3.57Å; S56-S58 PolarHBondContact O-N 2.93Å; S56-S58 PolarHBondContact OG-N 3.35Å; S56-S58 PolarHBondContact OG-O 3.27Å; S56-S58 PolarHBondContact OG-OG 3.41Å; S58-K60 PolarHBondContact O-N 2.83Å
59S52.3Low76.7Confident67 Ų6745 Ų4547%0.46927%0.268SS..THydrogen-bonded Turntrans-65.232.6177.868.60000113.9E91S59-E91 WeakPolarHBondContact CB-OE1 3.24Å; S59-E91 VanDerWaalsContact O-CD 3.25Å; S59-E91 VanDerWaalsContact O-OE1 3.13Å
60K63.3Low76.8Confident137 Ų13746.7 Ų46.760%0.59628%0.278SS*.THydrogen-bonded Turntrans-129.1-5-170.9-65.9-173.1178179.90113.5S58 N99S58-K60 PolarHBondContact O-N 2.83Å; K60-N99 WeakPolarHBondContact O-CB 3.36Å
61G67.7Low76.8Confident6 Ų649.9 Ų49.96%0.06230%0.3CS..  trans60.4167.3-162.300000111.1D53D53-G61 CarbonylContact O-C 3.58Å; D53-G61 WeakPolarHBondContact O-CA 3.42Å
62S80.8Confident76.7Confident44 Ų4451.6 Ų51.631%0.30831%0.313SS..BIsolated β-bridgetrans-132.8126.4178.759.80000111.4D53 G64D53-S62 PolarHBondContact N-O 2.97Å; D53-S62 PolarHBondContact O-N 2.87Å; S62-G64 PolarHBondContact O-N 3.41Å
63L83.1Confident76.8Confident23 Ų2351.7 Ų51.712%0.1231%0.313CS..PPolyproline II helixtrans-71.5120.2168.7-176.662.4000109.4L4 F66 I100 E103 A104 Y107L4-L63 HydrophobicContact CD2-CD1 3.72Å; L63-F66 HydrophobicContact CD1-CE1 4.45Å; L63-F66 HydrophobicContact CD1-CE2 4.25Å; L63-F66 HydrophobicContact CD1-CZ 3.74Å; L63-F66 HydrophobicContact CD2-CE2 3.72Å; L63-F66 HydrophobicContact CD2-CZ 3.82Å; L63-F66 HydrophobicContact CG-CE2 4.06Å; L63-F66 HydrophobicContact CG-CZ 4.06Å; L63-I100 HydrophobicContact CD1-CG2 3.95Å; L63-E103 HydrophobicContact CB-CG 4.28Å; L63-E103 WeakPolarHBondContact CB-OE2 3.36Å; L63-E103 HydrophobicContact CD2-CB 4.26Å; L63-E103 HydrophobicContact CD2-CG 3.87Å; L63-A104 HydrophobicContact CD2-CB 4.19Å; L63-Y107 HydrophobicContact CD2-CD2 4.1Å; L63-Y107 HydrophobicContact CD2-CE2 4.4Å
64G83.8Confident77.2Confident15 Ų1555.9 Ų55.916%0.15533%0.327CS..PPolyproline II helixtrans-71.2166.8174.500000112.3S50 V51 S62 F66S50-G64 VanDerWaalsContact OG-C 3.22Å; S50-G64 WeakPolarHBondContact OG-CA 3.45Å; S50-G64 PolarHBondContact OG-N 3.35Å; S50-G64 PolarHBondContact OG-O 3.39Å; V51-G64 WeakPolarHBondContact O-CA 3.42Å; V51-G64 PolarHBondContact O-N 2.85Å; S62-G64 PolarHBondContact O-N 3.41Å; G64-F66 PolarHBondContact O-N 2.87Å
65P85.7Confident77.9Confident112 Ų11260.5 Ų60.573%0.72735%0.352SS*.PPolyproline II helixtrans-62.6136173.728-34000110.4S67P65-S67 PolarHBondContact O-N 3.4Å
66F84.6Confident79.2Confident51 Ų5161.5 Ų61.522%0.22436%0.361CS..PPolyproline II helixtrans-70.6128.1171.7-66-82.6000109.9I2 L4 F48 I49 S50 L63 G64 Y108I2-F66 HydrophobicContact CG2-CD1 4.17Å; I2-F66 HydrophobicContact CG2-CE1 3.42Å; I2-F66 VanDerWaalsContact CG2-CE1 3.42Å; I2-F66 HydrophobicContact CG2-CZ 4.2Å; L4-F66 HydrophobicContact CD2-CE1 3.8Å; L4-F66 HydrophobicContact CD2-CZ 4.11Å; F48-F66 HydrophobicContact CB-CB 4.23Å; F48-F66 HydrophobicContact CB-CD1 3.93Å; F48-F66 HydrophobicContact CB-CG 4.4Å; F48-F66 HydrophobicContact CD1-CB 4.43Å; I49-F66 WeakPolarHBondContact O-CA 3.18Å; S50-F66 VanDerWaalsContact CB-CE1 3.44Å; L63-F66 HydrophobicContact CD1-CE1 4.45Å; L63-F66 HydrophobicContact CD1-CE2 4.25Å; L63-F66 HydrophobicContact CD1-CZ 3.74Å; L63-F66 HydrophobicContact CD2-CE2 3.72Å; L63-F66 HydrophobicContact CD2-CZ 3.82Å; L63-F66 HydrophobicContact CG-CE2 4.06Å; L63-F66 HydrophobicContact CG-CZ 4.06Å; G64-F66 PolarHBondContact O-N 2.87Å; F66-Y108 HydrophobicContact CD1-CE2 4.07Å; F66-Y108 AromaticContact CD2-CE2 3.71Å; F66-Y108 HydrophobicContact CD2-CE2 3.71Å; F66-Y108 AromaticContact CE1-CE2 3.85Å; F66-Y108 HydrophobicContact CE1-CE2 3.85Å; F66-Y108 HydrophobicContact CE2-CD2 4.29Å; F66-Y108 AromaticContact CE2-CE2 3.48Å; F66-Y108 HydrophobicContact CE2-CE2 3.48Å; F66-Y108 VanDerWaalsContact CE2-CE2 3.48Å; F66-Y108 HydrophobicContact CG-CE2 4.01Å; F66-Y108 WeakPolarHBondContact CG-OH 3.3Å; F66-Y108 HydrophobicContact CZ-CD2 4.19Å; F66-Y108 AromaticContact CZ-CE2 3.54Å; F66-Y108 HydrophobicContact CZ-CE2 3.54Å
67S84.4Confident80.8Confident27 Ų2760 Ų6019%0.18935%0.351CS..BIsolated β-bridgetrans-145.4153.7-177.3-172.70000110.9I49 P65 D69 S72I49-S67 PolarHBondContact N-O 3.2Å; I49-S67 PolarHBondContact O-N 3.25Å; P65-S67 PolarHBondContact O-N 3.4Å; S67-D69 PolarHBondContact OG-N 3.16Å; S67-S72 WeakPolarHBondContact CB-OG 3.35Å; S67-S72 PolarHBondContact OG-OG 3.1Å
68S81.1Confident82.6Confident80 Ų8054.7 Ų54.756%0.55932%0.323SS*.  trans-107.7-6164.555.40000111.9C41 V70C41-S68 PolarHBondContact SG-O 3.37Å; C41-S68 VanDerWaalsContact SG-O 3.41Å; S68-V70 PolarHBondContact O-N 3.33Å
69D86.1Confident84.1Confident73 Ų7356.7 Ų56.739%0.3933%0.325SS..  trans-78.8111.6177.2165.742.4000110.4S67 S71 S72 L73S67-D69 PolarHBondContact OG-N 3.16Å; D69-S71 PolarHBondContact O-N 2.84Å; D69-S71 PolarHBondContact OD1-N 2.91Å; D69-S71 VanDerWaalsContact OD1-N 3.09Å; D69-S71 PolarHBondContact OD1-OG 3.43Å; D69-S71 PolarHBondContact OD2-OG 3.17Å; D69-S72 PolarHBondContact O-N 3.27Å; D69-S72 PolarHBondContact O-OG 3.46Å; D69-S72 WeakPolarHBondContact OD2-CB 3.09Å; D69-S72 PolarHBondContact OD2-N 3.34Å; D69-S72 PolarHBondContact OD2-OG 2.97Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 3.32Å
70V90.1Very high85.6Confident35 Ų3553.8 Ų53.821%0.21230%0.304CS..Hα-helixtrans-55.7-35.1-179.7178.10000111.9V38 C41 S68 L73 R74V38-V70 HydrophobicContact CB-CG1 4.48Å; V38-V70 HydrophobicContact CG2-CG1 3.61Å; C41-V70 HydrophobicContact CB-CG2 3.54Å; S68-V70 PolarHBondContact O-N 3.33Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-R74 HydrophobicContact CG1-CG 4.25Å; V70-R74 WeakPolarHBondContact O-CB 3.23Å; V70-R74 VanDerWaalsContact O-CG 3.29Å; V70-R74 WeakPolarHBondContact O-CG 3.45Å; V70-R74 PolarHBondContact O-N 3.38Å
71S91.8Very high86.7Confident66 Ų6649 Ų4946%0.46228%0.284SS..Hα-helixtrans-69.8-46.6-176.868.30000111.9D69 L73 R74 N75D69-S71 PolarHBondContact O-N 2.84Å; D69-S71 PolarHBondContact OD1-N 2.91Å; D69-S71 VanDerWaalsContact OD1-N 3.09Å; D69-S71 PolarHBondContact OD1-OG 3.43Å; D69-S71 PolarHBondContact OD2-OG 3.17Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 PolarHBondContact O-N 3.38Å; S71-R74 PolarHBondContact O-N 3.46Å; S71-N75 PolarHBondContact O-N 3.12Å; S71-N75 PolarHBondContact O-ND2 3.26Å
72S90.9Very high87.5Confident45 Ų4554.8 Ų54.832%0.31531%0.31SS..Hα-helixtrans-57.5-42.9172.967.40000113.2S67 D69 N75 A76S67-S72 WeakPolarHBondContact CB-OG 3.35Å; S67-S72 PolarHBondContact OG-OG 3.1Å; D69-S72 PolarHBondContact O-N 3.27Å; D69-S72 PolarHBondContact O-OG 3.46Å; D69-S72 WeakPolarHBondContact OD2-CB 3.09Å; D69-S72 PolarHBondContact OD2-N 3.34Å; D69-S72 PolarHBondContact OD2-OG 2.97Å; S72-N75 PolarHBondContact O-N 3.49Å; S72-A76 PolarHBondContact O-N 3.24Å; S72-A76 VanDerWaalsContact O-N 3.11Å
73L91.5Very high87.4Confident4 Ų454 Ų542%0.02130%0.303CS..Hα-helixtrans-70-39.3-179-65.7170.2000112.3I37 I49 V51 D69 V70 S71 A76 I77I37-L73 HydrophobicContact CD1-CB 4.16Å; I37-L73 HydrophobicContact CG2-CB 3.8Å; I37-L73 HydrophobicContact CG2-CD1 3.57Å; I37-L73 HydrophobicContact CG2-CG 4.34Å; I49-L73 HydrophobicContact CB-CD1 3.98Å; I49-L73 HydrophobicContact CB-CD2 4.4Å; I49-L73 HydrophobicContact CD1-CD1 4.34Å; I49-L73 HydrophobicContact CG2-CD1 4.15Å; I49-L73 HydrophobicContact CG2-CD2 4.29Å; V51-L73 HydrophobicContact CG2-CB 4.42Å; V51-L73 HydrophobicContact CG2-CD2 4.03Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 3.32Å; V70-L73 PolarHBondContact O-N 3.33Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 PolarHBondContact O-N 3.38Å; L73-A76 WeakPolarHBondContact O-CB 3.32Å; L73-A76 PolarHBondContact O-N 2.93Å; L73-I77 PolarHBondContact O-N 3.07Å
74R93.2Very high87Confident110 Ų11052.9 Ų52.942%0.41530%0.297SS..Hα-helixtrans-62.8-44.8174.4-77.9178.5171.6-170.6-3.9111.5K34 V70 S71 A76 I77 D78K34-R74 HydrophobicContact CG-CG 4.31Å; V70-R74 HydrophobicContact CG1-CG 4.25Å; V70-R74 WeakPolarHBondContact O-CB 3.23Å; V70-R74 VanDerWaalsContact O-CG 3.29Å; V70-R74 WeakPolarHBondContact O-CG 3.45Å; V70-R74 PolarHBondContact O-N 3.38Å; S71-R74 PolarHBondContact O-N 3.46Å; R74-A76 PolarHBondContact O-N 3.01Å; R74-I77 PolarHBondContact O-N 2.78Å; R74-I77 VanDerWaalsContact O-N 3.07Å; R74-D78 PolarHBondContact O-N 2.95Å
75N92.5Very high86.3Confident103 Ų10359.3 Ų59.355%0.55132%0.321SS*.Hα-helixtrans-60.4-35.5176.9-68.3-19.3000112S71 S72 D78 H79S71-N75 PolarHBondContact O-N 3.12Å; S71-N75 PolarHBondContact O-ND2 3.26Å; S72-N75 PolarHBondContact O-N 3.49Å; N75-D78 PolarHBondContact O-N 3.19Å; N75-H79 PolarHBondContact O-N 3.08Å
76A91.5Very high85.7Confident35 Ų3558.7 Ų58.729%0.28932%0.315SS..Hα-helixtrans-64.5-41.1174.500000112V51 S72 L73 R74 H79 I80V51-A76 HydrophobicContact CB-CB 3.94Å; V51-A76 HydrophobicContact CG1-CB 4.12Å; V51-A76 HydrophobicContact CG2-CB 4.31Å; S72-A76 PolarHBondContact O-N 3.24Å; S72-A76 VanDerWaalsContact O-N 3.11Å; L73-A76 WeakPolarHBondContact O-CB 3.32Å; L73-A76 PolarHBondContact O-N 2.93Å; R74-A76 PolarHBondContact O-N 3.01Å; A76-H79 PolarHBondContact O-N 3.16Å; A76-I80 WeakPolarHBondContact O-CG1 3.3Å; A76-I80 PolarHBondContact O-N 3.45Å; A76-I80 VanDerWaalsContact O-N 3.12Å
77I91.8Very high85.1Confident0 Ų061.2 Ų61.20%033%0.326CS..Hα-helixtrans-65.7-43.2173.5-63.9174.4000110.9I7 C30 A33 K34 I37 V51 L73 R74 H79 I80 E81I7-I77 HydrophobicContact CD1-CG1 4.41Å; I7-I77 HydrophobicContact CD1-CG2 3.82Å; C30-I77 HydrophobicContact CB-CG2 3.83Å; A33-I77 HydrophobicContact CB-CD1 3.78Å; K34-I77 HydrophobicContact CD-CG2 4.35Å; K34-I77 HydrophobicContact CG-CB 4.23Å; K34-I77 HydrophobicContact CG-CD1 3.85Å; K34-I77 HydrophobicContact CG-CG2 4.06Å; I37-I77 HydrophobicContact CD1-CD1 3.51Å; I37-I77 HydrophobicContact CD1-CG1 4.38Å; V51-I77 HydrophobicContact CG1-CG1 3.87Å; V51-I77 HydrophobicContact CG2-CG1 4.1Å; L73-I77 PolarHBondContact O-N 3.07Å; R74-I77 PolarHBondContact O-N 2.78Å; R74-I77 VanDerWaalsContact O-N 3.07Å; I77-H79 PolarHBondContact O-N 2.92Å; I77-I80 PolarHBondContact O-N 2.99Å; I77-I80 VanDerWaalsContact O-N 3.14Å; I77-E81 PolarHBondContact O-N 3.11Å
78D91.8Very high84.2Confident51 Ų5164.8 Ų64.827%0.27334%0.338SS..Hα-helixtrans-57.4-39.1176.6-70.2-41.5000111.4K34 R74 N75 E81 Q82K34-D78 WeakPolarHBondContact CE-OD1 3.48Å; K34-D78 IonicContact NZ-OD1 3.31Å; K34-D78 PolarHBondContact NZ-OD1 3.3Å; R74-D78 PolarHBondContact O-N 2.95Å; N75-D78 PolarHBondContact O-N 3.19Å; D78-E81 PolarHBondContact O-N 3.02Å; D78-Q82 VanDerWaalsContact O-CG 3.26Å; D78-Q82 WeakPolarHBondContact O-CG 3.1Å; D78-Q82 PolarHBondContact O-N 3.04Å
79H87.9Confident83.6Confident106 Ų10662.5 Ų62.549%0.49132%0.321SS..Hα-helixtrans-64.9-45.9175.5-17060.9000112.1N75 A76 I77 E81 Q82 T83N75-H79 PolarHBondContact O-N 3.08Å; A76-H79 PolarHBondContact O-N 3.16Å; I77-H79 PolarHBondContact O-N 2.92Å; H79-E81 VanDerWaalsContact C-N 3.28Å; H79-E81 PolarHBondContact O-N 3.38Å; H79-Q82 PolarHBondContact O-N 3.12Å; H79-Q82 VanDerWaalsContact O-N 3.15Å; H79-T83 WeakPolarHBondContact O-CG2 3.28Å; H79-T83 PolarHBondContact O-N 3.4Å; H79-T83 PolarHBondContact O-OG1 2.93Å
80I85.1Confident82.3Confident6 Ų664.7 Ų64.73%0.03134%0.342CS..Hα-helixtrans-60.1-39.2176-68.2171.1000111.3R9 V51 D53 A76 I77 T83 A84R9-I80 PolarHBondContact NH1-O 2.98Å; V51-I80 HydrophobicContact CG1-CD1 3.49Å; V51-I80 VanDerWaalsContact CG1-CD1 3.49Å; D53-I80 HydrophobicContact CB-CD1 4.21Å; D53-I80 HydrophobicContact CB-CG1 4.19Å; A76-I80 WeakPolarHBondContact O-CG1 3.3Å; A76-I80 PolarHBondContact O-N 3.45Å; A76-I80 VanDerWaalsContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 2.99Å; I77-I80 VanDerWaalsContact O-N 3.14Å; I80-T83 PolarHBondContact O-OG1 3.02Å; I80-T83 VanDerWaalsContact O-OG1 3.08Å; I80-A84 WeakPolarHBondContact O-CB 3.37Å; I80-A84 PolarHBondContact O-N 3.46Å
81E85.7Confident81.1Confident38 Ų3866 Ų6618%0.17835%0.346CS..Hα-helixtrans-66.1-37.2176.9-170.5-178.4169.400111.8K34 I77 D78 H79 A84K34-E81 IonicContact NZ-OE2 2.95Å; K34-E81 PolarHBondContact NZ-OE2 3.39Å; I77-E81 PolarHBondContact O-N 3.11Å; D78-E81 PolarHBondContact O-N 3.02Å; H79-E81 VanDerWaalsContact C-N 3.28Å; H79-E81 PolarHBondContact O-N 3.38Å; E81-A84 WeakPolarHBondContact O-CB 3.25Å
82Q84.6Confident80.3Confident127 Ų12764 Ų6459%0.59333%0.33SS*.Hα-helixtrans-71.1-46.7176.8-7217021.700112.1D78 H79 A84 K85D78-Q82 VanDerWaalsContact O-CG 3.26Å; D78-Q82 WeakPolarHBondContact O-CG 3.1Å; D78-Q82 PolarHBondContact O-N 3.04Å; H79-Q82 PolarHBondContact O-N 3.12Å; H79-Q82 VanDerWaalsContact O-N 3.15Å; Q82-A84 PolarHBondContact O-N 2.79Å; Q82-K85 PolarHBondContact O-N 3.14Å
83T79Confident79.8Confident26 Ų2662 Ų6216%0.1632%0.316CS..Hα-helixtrans-64.7-23.2177.160.30000111.5H79 I80 K85 V86 F87H79-T83 WeakPolarHBondContact O-CG2 3.28Å; H79-T83 PolarHBondContact O-N 3.4Å; H79-T83 PolarHBondContact O-OG1 2.93Å; I80-T83 PolarHBondContact O-OG1 3.02Å; I80-T83 VanDerWaalsContact O-OG1 3.08Å; T83-K85 PolarHBondContact O-N 3.09Å; T83-K85 VanDerWaalsContact O-N 3.16Å; T83-V86 PolarHBondContact O-N 3.14Å; T83-F87 PolarHBondContact O-N 2.91Å
84A73.2Confident79.5Confident1 Ų161.8 Ų61.81%0.00832%0.315CS..THydrogen-bonded Turntrans-58.9-28.7179.400000116.7R9 I80 E81 Q82 V86R9-A84 VanDerWaalsContact NH2-CB 3.27Å; R9-A84 PolarHBondContact NH2-O 2.9Å; I80-A84 WeakPolarHBondContact O-CB 3.37Å; I80-A84 PolarHBondContact O-N 3.46Å; E81-A84 WeakPolarHBondContact O-CB 3.25Å; Q82-A84 PolarHBondContact O-N 2.79Å; A84-V86 VanDerWaalsContact C-N 3.26Å
85K70.4Confident78.9Confident149 Ų14957.1 Ų57.165%0.64830%0.299SS*.THydrogen-bonded Turntrans-81.4-11.8-178.4-59.7179-175.6176.40112Q82 T83Q82-K85 PolarHBondContact O-N 3.14Å; T83-K85 PolarHBondContact O-N 3.09Å; T83-K85 VanDerWaalsContact O-N 3.16Å
86V72.8Confident78.5Confident99 Ų9952.4 Ų52.460%0.627%0.274SS*.THydrogen-bonded Turntrans-120.1-40.7-168.4-1710000112.2T83 A84T83-V86 PolarHBondContact O-N 3.14Å; A84-V86 VanDerWaalsContact C-N 3.26Å
87F70.8Confident78.3Confident105 Ų10550.8 Ų50.846%0.46126%0.26SS..  trans-121.3130-174.8-63.2-79.1000111.5R9 T83R9-F87 PolarHBondContact NH2-O 2.68Å; T83-F87 PolarHBondContact O-N 2.91Å
88F67.3Low78.1Confident101 Ų10150.8 Ų50.844%0.44326%0.26SS..  trans-106.4139.2171-65.1-73.7000109.4L11 L14 S90L11-F88 HydrophobicContact CB-CD1 4.34Å; L11-F88 HydrophobicContact CB-CE1 4.2Å; L11-F88 HydrophobicContact CD1-CD1 4.12Å; L11-F88 HydrophobicContact CD1-CE1 3.33Å; L11-F88 HydrophobicContact CD1-CE2 4.08Å; L11-F88 HydrophobicContact CD1-CZ 3.31Å; L11-F88 HydrophobicContact CG-CE1 4.38Å; L14-F88 HydrophobicContact CD1-CE1 3.82Å; L14-F88 HydrophobicContact CD1-CZ 3.78Å; F88-S90 PolarHBondContact O-N 3.28Å
89P66.6Low77.8Confident32 Ų3249.8 Ų49.821%0.20826%0.255CS..  trans-63.6135.7-17926.4-32.8000110.4R9R9-P89 HydrophobicContact CB-CG 4.3Å
90S59.8Low77.8Confident119 Ų11944.9 Ų44.983%0.83223%0.232SC*.SBendtrans-79.1-22.7173.258.40000112.7F88F88-S90 PolarHBondContact O-N 3.28Å
91E65.9Low77.9Confident64 Ų6444.6 Ų44.630%0.29923%0.231SC..SBendtrans-106.8161179.5-66.5-166.7169.600111.8S59 T95S59-E91 WeakPolarHBondContact CB-OE1 3.24Å; S59-E91 VanDerWaalsContact O-CD 3.25Å; S59-E91 VanDerWaalsContact O-OE1 3.13Å; E91-T95 WeakPolarHBondContact OE2-CG2 3.37Å
92L74.8Confident77.8Confident24 Ų2445.5 Ų45.513%0.12623%0.234CC..  trans-61.1142173-64.6175.9000110.9A94 T95 S96 F130 D161L92-A94 PolarHBondContact O-N 2.83Å; L92-T95 PolarHBondContact O-N 3.39Å; L92-T95 VanDerWaalsContact O-N 3.1Å; L92-S96 PolarHBondContact O-N 3.31Å; L92-F130 HydrophobicContact CD1-CB 3.67Å; L92-F130 HydrophobicContact CD2-CB 4.2Å; L92-F130 HydrophobicContact CG-CB 4.2Å; L92-D161 HydrophobicContact CB-CB 4.18Å; L92-D161 HydrophobicContact CD1-CB 3.94Å; L92-D161 HydrophobicContact CD2-CB 3.92Å; L92-D161 HydrophobicContact CG-CB 4.24Å
93T80.6Confident77.9Confident1 Ų142.6 Ų42.61%0.00622%0.22CC..Hα-helixtrans-53.9-41175.1-550000110.2D8 T54 T95 S96 I97 L118 D161 L162D8-T93 PolarHBondContact OD1-OG1 2.79Å; D8-T93 VanDerWaalsContact OD1-OG1 3.09Å; T54-T93 HydrophobicContact CG2-CG2 4.48Å; T93-T95 PolarHBondContact O-N 3.4Å; T93-S96 PolarHBondContact O-N 3.03Å; T93-I97 HydrophobicContact CG2-CD1 4.03Å; T93-I97 VanDerWaalsContact O-CG1 3.3Å; T93-I97 WeakPolarHBondContact O-CG1 3.33Å; T93-I97 PolarHBondContact O-N 3.14Å; T93-L118 HydrophobicContact CG2-CD1 4.4Å; T93-D161 PolarHBondContact N-OD2 3.5Å; T93-L162 HydrophobicContact CG2-CD2 4.2Å
94A83.4Confident78.1Confident0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-62.1-41178.700000114L92 I97 L98 L132 D161 L165L92-A94 PolarHBondContact O-N 2.83Å; A94-I97 PolarHBondContact O-N 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.38Å; A94-L98 PolarHBondContact O-N 2.93Å; A94-L98 VanDerWaalsContact O-N 3.11Å; A94-L132 HydrophobicContact CB-CD1 3.44Å; A94-L132 VanDerWaalsContact CB-CD1 3.44Å; A94-D161 HydrophobicContact CB-CB 4.15Å; A94-D161 WeakPolarHBondContact CB-O 3.36Å; A94-L165 HydrophobicContact CB-CB 4.13Å; A94-L165 HydrophobicContact CB-CD2 4.46Å
95T82.2Confident78.5Confident13 Ų1343.6 Ų43.68%0.0822%0.222CC..Hα-helixtrans-66.7-40.9176.8-68.10000111.5E91 L92 T93 I97 L98 N99 T133E91-T95 WeakPolarHBondContact OE2-CG2 3.37Å; L92-T95 PolarHBondContact O-N 3.39Å; L92-T95 VanDerWaalsContact O-N 3.1Å; T93-T95 PolarHBondContact O-N 3.4Å; T95-I97 VanDerWaalsContact C-N 3.32Å; T95-I97 PolarHBondContact O-N 3.45Å; T95-L98 PolarHBondContact O-N 3.43Å; T95-N99 PolarHBondContact O-N 3.29Å; T95-N99 VanDerWaalsContact O-N 3.11Å; T95-N99 PolarHBondContact O-ND2 2.98Å; T95-T133 PolarHBondContact OG1-N 2.89Å; T95-T133 PolarHBondContact OG1-O 2.82Å
96S84.2Confident78.9Confident3 Ų342.8 Ų42.82%0.02122%0.224CC..Hα-helixtrans-60.2-42.3174.4-65.40000111.7L92 T93 L98 N99 I100L92-S96 PolarHBondContact O-N 3.31Å; T93-S96 PolarHBondContact O-N 3.03Å; S96-L98 VanDerWaalsContact C-N 3.35Å; S96-L98 PolarHBondContact O-N 3.48Å; S96-N99 PolarHBondContact O-N 3.36Å; S96-I100 WeakPolarHBondContact O-CD1 3.37Å; S96-I100 VanDerWaalsContact O-CG1 3.27Å; S96-I100 WeakPolarHBondContact O-CG1 3.44Å; S96-I100 PolarHBondContact O-N 3.38Å
97I87.4Confident79.2Confident2 Ų245.9 Ų45.91%0.0123%0.225CC..Hα-helixtrans-60.5-42.9176.3-68.8165.2000111.4V6 T93 A94 T95 N99 I100 L101 I116 L118 L162 L165V6-I97 HydrophobicContact CG1-CD1 4.34Å; V6-I97 HydrophobicContact CG1-CG1 4.13Å; V6-I97 HydrophobicContact CG2-CG1 4.47Å; T93-I97 HydrophobicContact CG2-CD1 4.03Å; T93-I97 VanDerWaalsContact O-CG1 3.3Å; T93-I97 WeakPolarHBondContact O-CG1 3.33Å; T93-I97 PolarHBondContact O-N 3.14Å; A94-I97 PolarHBondContact O-N 3.34Å; T95-I97 VanDerWaalsContact C-N 3.32Å; T95-I97 PolarHBondContact O-N 3.45Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.06Å; I97-I100 PolarHBondContact O-N 3.45Å; I97-L101 HydrophobicContact CG2-CD1 4.21Å; I97-L101 HydrophobicContact CG2-CG 4.42Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.35Å; I97-L101 PolarHBondContact O-N 3.36Å; I97-I116 HydrophobicContact CG2-CD1 3.51Å; I97-L118 HydrophobicContact CD1-CD1 4.01Å; I97-L118 HydrophobicContact CD1-CD2 3.89Å; I97-L162 HydrophobicContact CD1-CD2 4.45Å; I97-L165 HydrophobicContact CB-CD2 4.39Å; I97-L165 HydrophobicContact CD1-CD2 3.84Å; I97-L165 HydrophobicContact CG2-CD2 4.09Å
98L87.2Confident79.4Confident0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-63-38.5177.6-68.6-179.5000112.7A94 T95 S96 L101 K102 L132 Y134 P135 F138 L165 F169A94-L98 WeakPolarHBondContact O-CG 3.38Å; A94-L98 PolarHBondContact O-N 2.93Å; A94-L98 VanDerWaalsContact O-N 3.11Å; T95-L98 PolarHBondContact O-N 3.43Å; S96-L98 VanDerWaalsContact C-N 3.35Å; S96-L98 PolarHBondContact O-N 3.48Å; L98-L101 PolarHBondContact O-N 3.1Å; L98-K102 PolarHBondContact O-N 2.87Å; L98-L132 HydrophobicContact CD1-CD1 3.77Å; L98-L132 HydrophobicContact CD1-CD2 3.92Å; L98-L132 HydrophobicContact CD1-CG 3.79Å; L98-L132 HydrophobicContact CG-CD1 4.48Å; L98-Y134 HydrophobicContact CD1-CD1 3.75Å; L98-Y134 HydrophobicContact CD1-CE1 3.93Å; L98-Y134 HydrophobicContact CD1-CG 4.16Å; L98-Y134 HydrophobicContact CD2-CE1 4.44Å; L98-P135 HydrophobicContact CB-CG 4.26Å; L98-F138 HydrophobicContact CB-CE2 4.4Å; L98-F138 HydrophobicContact CD2-CE2 4.07Å; L98-F138 HydrophobicContact CD2-CZ 3.95Å; L98-L165 HydrophobicContact CD2-CD1 3.99Å; L98-L165 HydrophobicContact CG-CD1 4.37Å; L98-F169 HydrophobicContact CD2-CE2 4.16Å; L98-F169 HydrophobicContact CD2-CZ 4.37Å
99N84.8Confident79.7Confident30 Ų3038.7 Ų38.716%0.1620%0.197CC..Hα-helixtrans-65.6-45.5175.3-74-38.3000111.7K60 T95 S96 I97 L101 K102 E103 P135K60-N99 WeakPolarHBondContact O-CB 3.36Å; T95-N99 PolarHBondContact O-N 3.29Å; T95-N99 VanDerWaalsContact O-N 3.11Å; T95-N99 PolarHBondContact O-ND2 2.98Å; S96-N99 PolarHBondContact O-N 3.36Å; I97-N99 VanDerWaalsContact C-N 3.33Å; I97-N99 PolarHBondContact O-N 3.06Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 3.42Å; N99-K102 WeakPolarHBondContact O-CB 3.38Å; N99-K102 PolarHBondContact O-N 2.91Å; N99-E103 PolarHBondContact O-N 2.58Å; N99-P135 WeakPolarHBondContact OD1-CB 3.33Å
100I87.5Confident79.9Confident3 Ų338.7 Ų38.72%0.01520%0.197CC..Hα-helixtrans-59.8-42.6175.7-68.6158.9000110.7L4 C52 T54 L63 S96 I97 E103 A104L4-I100 HydrophobicContact CD1-CG2 4.17Å; C52-I100 HydrophobicContact CB-CD1 3.77Å; C52-I100 HydrophobicContact CB-CG1 4.47Å; C52-I100 HydrophobicContact CB-CG2 4.11Å; T54-I100 HydrophobicContact CG2-CD1 4.26Å; L63-I100 HydrophobicContact CD1-CG2 3.95Å; S96-I100 WeakPolarHBondContact O-CD1 3.37Å; S96-I100 VanDerWaalsContact O-CG1 3.27Å; S96-I100 WeakPolarHBondContact O-CG1 3.44Å; S96-I100 PolarHBondContact O-N 3.38Å; I97-I100 PolarHBondContact O-N 3.45Å; I100-E103 PolarHBondContact O-N 2.76Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.48Å
101L86.9Confident80.4Confident0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-62.2-43.6175.9-79.9175.7000112.4L4 I97 L98 N99 E103 A104 Y105 I114 I116 F138 T146 F169L4-L101 HydrophobicContact CD1-CD2 3.99Å; I97-L101 HydrophobicContact CG2-CD1 4.21Å; I97-L101 HydrophobicContact CG2-CG 4.42Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.35Å; I97-L101 PolarHBondContact O-N 3.36Å; L98-L101 PolarHBondContact O-N 3.1Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 3.42Å; L101-E103 VanDerWaalsContact C-N 3.28Å; L101-E103 PolarHBondContact O-N 3.06Å; L101-A104 PolarHBondContact O-N 3.1Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.08Å; L101-I114 HydrophobicContact CD2-CG2 3.88Å; L101-I116 HydrophobicContact CD1-CD1 3.6Å; L101-I116 HydrophobicContact CD2-CD1 3.55Å; L101-I116 HydrophobicContact CD2-CG1 4.01Å; L101-I116 HydrophobicContact CG-CD1 3.67Å; L101-F138 HydrophobicContact CB-CE2 4.23Å; L101-T146 HydrophobicContact CD1-CG2 4.2Å; L101-T146 HydrophobicContact CD2-CG2 3.71Å; L101-F169 HydrophobicContact CD1-CZ 3.92Å
102K84.9Confident80.8Confident57 Ų5730.8 Ų30.825%0.24815%0.146CC..Hα-helixtrans-59.6-41.5175.4-177.5-179.1176.7-179.80111L98 N99 Y105 L106 P135 V136 F138L98-K102 PolarHBondContact O-N 2.87Å; N99-K102 WeakPolarHBondContact O-CB 3.38Å; N99-K102 PolarHBondContact O-N 2.91Å; K102-Y105 WeakPolarHBondContact O-CB 3.23Å; K102-L106 WeakPolarHBondContact O-CG 3.36Å; K102-L106 PolarHBondContact O-N 2.62Å; K102-L106 VanDerWaalsContact O-N 3.15Å; K102-P135 HydrophobicContact CD-CB 4.11Å; K102-P135 HydrophobicContact CD-CG 4.29Å; K102-V136 PolarHBondContact NZ-O 2.85Å; K102-F138 HydrophobicContact CB-CD2 4.38Å
103E85.3Confident80.9Confident65 Ų6530.7 Ų30.730%0.30415%0.146SC..Hα-helixtrans-65.7-48.5176.5-170.4178.5177.300111.9L63 N99 I100 L101 Y105 L106 Y107L63-E103 HydrophobicContact CB-CG 4.28Å; L63-E103 WeakPolarHBondContact CB-OE2 3.36Å; L63-E103 HydrophobicContact CD2-CB 4.26Å; L63-E103 HydrophobicContact CD2-CG 3.87Å; N99-E103 PolarHBondContact O-N 2.58Å; I100-E103 PolarHBondContact O-N 2.76Å; L101-E103 VanDerWaalsContact C-N 3.28Å; L101-E103 PolarHBondContact O-N 3.06Å; E103-Y105 PolarHBondContact O-N 2.58Å; E103-L106 WeakPolarHBondContact O-CB 2.88Å; E103-L106 PolarHBondContact O-N 3.11Å; E103-L106 VanDerWaalsContact O-N 3.07Å; E103-Y107 HydrophobicContact CG-CD2 4.08Å; E103-Y107 HydrophobicContact CG-CE2 3.8Å; E103-Y107 VanDerWaalsContact O-CD2 3.31Å; E103-Y107 WeakPolarHBondContact O-CD2 3.25Å; E103-Y107 PolarHBondContact O-N 3.3Å
104A84.7Confident81Confident0 Ų030.7 Ų30.70%015%0.146CC..Hα-helixtrans-58.6-37.9177.300000112.2L4 L63 I100 L101 Y107 Y108 I114L4-A104 HydrophobicContact CD1-CB 4.14Å; L63-A104 HydrophobicContact CD2-CB 4.19Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.48Å; L101-A104 PolarHBondContact O-N 3.1Å; A104-Y107 PolarHBondContact O-N 3.45Å; A104-Y108 PolarHBondContact O-N 3.2Å; A104-I114 HydrophobicContact CB-CD1 4.05Å
105Y80.5Confident81.2Confident49 Ų4930.9 Ų30.919%0.19215%0.147CC..Hα-helixtrans-62.8-41.2174.1-176-98000113.2L101 K102 E103 Y107 G109 P110 P139 L142L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.08Å; K102-Y105 WeakPolarHBondContact O-CB 3.23Å; E103-Y105 PolarHBondContact O-N 2.58Å; Y105-Y107 VanDerWaalsContact C-N 3.27Å; Y105-Y107 PolarHBondContact O-N 3.23Å; Y105-G109 WeakPolarHBondContact O-CA 3.42Å; Y105-G109 PolarHBondContact O-N 2.95Å; Y105-P110 VanDerWaalsContact CE2-CA 3.46Å; Y105-P110 HydrophobicContact CE2-CB 3.87Å; Y105-P139 HydrophobicContact CD1-CG 3.74Å; Y105-P139 HydrophobicContact CD2-CG 4.44Å; Y105-P139 HydrophobicContact CE1-CB 4.09Å; Y105-P139 HydrophobicContact CE1-CG 3.69Å; Y105-P139 HydrophobicContact CE2-CG 4.33Å; Y105-P139 HydrophobicContact CG-CG 4.12Å; Y105-L142 HydrophobicContact CD2-CD1 3.98Å; Y105-L142 HydrophobicContact CD2-CD2 3.32Å; Y105-L142 HydrophobicContact CD2-CG 3.46Å; Y105-L142 VanDerWaalsContact CD2-CG 3.46Å; Y105-L142 HydrophobicContact CE2-CD2 4.12Å; Y105-L142 HydrophobicContact CE2-CG 3.98Å; Y105-L142 HydrophobicContact CG-CD1 3.88Å; Y105-L142 HydrophobicContact CG-CD2 3.96Å; Y105-L142 HydrophobicContact CG-CG 3.92Å
106L80.1Confident81.7Confident132 Ų13230.3 Ų30.369%0.69114%0.143SC*.Hα-helixtrans-63.8-35177.6-72.9167.3000111.8K102 E103K102-L106 WeakPolarHBondContact O-CG 3.36Å; K102-L106 PolarHBondContact O-N 2.62Å; K102-L106 VanDerWaalsContact O-N 3.15Å; E103-L106 WeakPolarHBondContact O-CB 2.88Å; E103-L106 PolarHBondContact O-N 3.11Å; E103-L106 VanDerWaalsContact O-N 3.07Å
107Y77.5Confident82.1Confident163 Ų16330.2 Ų30.264%0.63914%0.142SC*.Hα-helixtrans-75.1-48.1178.5-82.1-72.6000113.4L63 E103 A104 Y105L63-Y107 HydrophobicContact CD2-CD2 4.1Å; L63-Y107 HydrophobicContact CD2-CE2 4.4Å; E103-Y107 HydrophobicContact CG-CD2 4.08Å; E103-Y107 HydrophobicContact CG-CE2 3.8Å; E103-Y107 VanDerWaalsContact O-CD2 3.31Å; E103-Y107 WeakPolarHBondContact O-CD2 3.25Å; E103-Y107 PolarHBondContact O-N 3.3Å; A104-Y107 PolarHBondContact O-N 3.45Å; Y105-Y107 VanDerWaalsContact C-N 3.27Å; Y105-Y107 PolarHBondContact O-N 3.23Å
108Y75.8Confident82.4Confident43 Ų4330.1 Ų30.117%0.16914%0.142CC..Hα-helixtrans-104-7.5-169.2-77.5-76.9000114.6I2 F48 F66 A104 S112 P229I2-Y108 HydrophobicContact CD1-CD1 3.74Å; I2-Y108 HydrophobicContact CD1-CD2 3.34Å; I2-Y108 HydrophobicContact CD1-CE1 4.19Å; I2-Y108 HydrophobicContact CD1-CE2 3.8Å; I2-Y108 HydrophobicContact CD1-CG 3.27Å; I2-Y108 HydrophobicContact CG1-CD2 4.36Å; I2-Y108 HydrophobicContact CG1-CE2 4.37Å; I2-Y108 HydrophobicContact CG1-CG 4.43Å; F48-Y108 HydrophobicContact CD2-CE1 4.19Å; F48-Y108 HydrophobicContact CE2-CE1 4.48Å; F66-Y108 HydrophobicContact CD1-CE2 4.07Å; F66-Y108 AromaticContact CD2-CE2 3.71Å; F66-Y108 HydrophobicContact CD2-CE2 3.71Å; F66-Y108 AromaticContact CE1-CE2 3.85Å; F66-Y108 HydrophobicContact CE1-CE2 3.85Å; F66-Y108 HydrophobicContact CE2-CD2 4.29Å; F66-Y108 AromaticContact CE2-CE2 3.48Å; F66-Y108 HydrophobicContact CE2-CE2 3.48Å; F66-Y108 VanDerWaalsContact CE2-CE2 3.48Å; F66-Y108 HydrophobicContact CG-CE2 4.01Å; F66-Y108 WeakPolarHBondContact CG-OH 3.3Å; F66-Y108 HydrophobicContact CZ-CD2 4.19Å; F66-Y108 AromaticContact CZ-CE2 3.54Å; F66-Y108 HydrophobicContact CZ-CE2 3.54Å; A104-Y108 PolarHBondContact O-N 3.2Å; Y108-S112 WeakPolarHBondContact CB-OG 3.19Å; Y108-S112 PolarHBondContact O-OG 2.93Å; Y108-P229 HydrophobicContact CD1-CG 3.9Å; Y108-P229 HydrophobicContact CE1-CG 4.23Å
109G73.6Confident82.7Confident13 Ų1330.1 Ų30.113%0.13414%0.142CC..  trans72.7179.1178.700000114.2Y105 W111Y105-G109 WeakPolarHBondContact O-CA 3.42Å; Y105-G109 PolarHBondContact O-N 2.95Å; G109-W111 PolarHBondContact O-N 3.17Å; G109-W111 VanDerWaalsContact O-N 3.14Å
110P70.7Confident83Confident31 Ų3128.7 Ų28.720%0.20113%0.134CC..THydrogen-bonded Turntrans-63.3-16.9-177.223.5-35.6000115.6Y105 S235 N266Y105-P110 VanDerWaalsContact CE2-CA 3.46Å; Y105-P110 HydrophobicContact CE2-CB 3.87Å; P110-S235 WeakPolarHBondContact O-CB 3.4Å; P110-N266 WeakPolarHBondContact CD-O 3.37Å
111W70.3Confident82.9Confident15 Ų1528.6 Ų28.66%0.05713%0.134CC..THydrogen-bonded Turntrans-96.93-169.6-61.3-27.1000115.1G109 P231 G232 S235 F236 N266 F269 W348 V367 F368G109-W111 PolarHBondContact O-N 3.17Å; G109-W111 VanDerWaalsContact O-N 3.14Å; W111-P231 CarbonylContact O-C 3.53Å; W111-P231 WeakPolarHBondContact O-CA 3.48Å; W111-G232 PolarHBondContact O-N 3.11Å; W111-S235 VanDerWaalsContact CA-OG 3.31Å; W111-S235 WeakPolarHBondContact CA-OG 3.37Å; W111-F236 HydrophobicContact CB-CE2 3.94Å; W111-F236 HydrophobicContact CG-CE2 4.28Å; W111-N266 HydrophobicContact CD2-CB 4.19Å; W111-N266 HydrophobicContact CE3-CB 4.07Å; W111-N266 HydrophobicContact CH2-CB 3.06Å; W111-N266 HydrophobicContact CZ2-CB 3.24Å; W111-N266 HydrophobicContact CZ3-CB 3.44Å; W111-N266 VanDerWaalsContact CZ3-CB 3.44Å; W111-F269 HydrophobicContact CB-CZ 3.79Å; W111-F269 HydrophobicContact CE3-CE2 4.05Å; W111-F269 HydrophobicContact CE3-CZ 4.21Å; W111-W348 HydrophobicContact CD2-CH2 4Å; W111-W348 HydrophobicContact CD2-CZ2 4.2Å; W111-W348 AromaticContact CE2-CH2 3.92Å; W111-W348 AromaticContact CE2-CZ2 3.77Å; W111-W348 HydrophobicContact CE3-CH2 4.21Å; W111-W348 HydrophobicContact CH2-CH2 4.2Å; W111-W348 AromaticContact CZ2-CH2 3.98Å; W111-W348 HydrophobicContact CZ2-CH2 3.98Å; W111-W348 AromaticContact CZ2-CZ2 3.95Å; W111-W348 HydrophobicContact CZ2-CZ2 3.95Å; W111-W348 HydrophobicContact CZ3-CH2 4.39Å; W111-W348 AromaticContact NE1-CZ2 3.94Å; W111-V367 HydrophobicContact CE3-CB 4.12Å; W111-V367 HydrophobicContact CE3-CG1 4.28Å; W111-V367 HydrophobicContact CH2-CB 3.69Å; W111-V367 HydrophobicContact CH2-CG1 3.31Å; W111-V367 WeakPolarHBondContact CH2-O 3.46Å; W111-V367 HydrophobicContact CZ2-CG1 4.21Å; W111-V367 HydrophobicContact CZ3-CB 3.29Å; W111-V367 HydrophobicContact CZ3-CG1 3.43Å; W111-V367 VanDerWaalsContact CZ3-CG1 3.43Å; W111-V367 HydrophobicContact CZ3-CG2 4.43Å; W111-V367 VanDerWaalsContact CZ3-O 3.27Å; W111-V367 WeakPolarHBondContact CZ3-O 3.47Å; W111-F368 WeakPolarHBondContact CH2-O 3.36Å
112S73.9Confident82.3Confident3 Ų328.6 Ų28.62%0.02113%0.134CC..BIsolated β-bridgetrans-96.1126.7-178.6-63.60000110.3Y108 I114 P229Y108-S112 WeakPolarHBondContact CB-OG 3.19Å; Y108-S112 PolarHBondContact O-OG 2.93Å; S112-I114 PolarHBondContact O-N 3.07Å; S112-P229 VanDerWaalsContact OG-CG 3.31Å; S112-P229 WeakPolarHBondContact OG-CG 3.42Å
113N76.6Confident81.5Confident22 Ų2226.5 Ų26.512%0.11813%0.128CC..  trans-74.8116.8175-168.1-6.8000109.7M1 I2 D145M1-N113 HydrophobicContact CG-CB 4.41Å; M1-N113 WeakPolarHBondContact CG-O 3.41Å; I2-N113 PolarHBondContact N-O 2.81Å; N113-D145 PolarHBondContact OD1-O 2.77Å
114I83.7Confident80.2Confident1 Ų125.5 Ų25.51%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-105.6129.1-179.2-57.3175.5000108.8I2 L4 L101 A104 S112 L142 D145 T146 S147I2-I114 HydrophobicContact CB-CG1 4.29Å; I2-I114 HydrophobicContact CD1-CG1 4.19Å; I2-I114 CarbonylContact O-C 3.57Å; I2-I114 WeakPolarHBondContact O-CA 3.24Å; L4-I114 HydrophobicContact CD1-CG2 3.57Å; L4-I114 HydrophobicContact CG-CG2 3.89Å; L101-I114 HydrophobicContact CD2-CG2 3.88Å; A104-I114 HydrophobicContact CB-CD1 4.05Å; S112-I114 PolarHBondContact O-N 3.07Å; I114-L142 HydrophobicContact CD1-CD2 4.34Å; I114-D145 PolarHBondContact N-O 3.45Å; I114-T146 HydrophobicContact CB-CG2 4.43Å; I114-T146 HydrophobicContact CG2-CG2 4.39Å; I114-T146 CarbonylContact O-C 3.54Å; I114-T146 VanDerWaalsContact O-CA 3.29Å; I114-T146 WeakPolarHBondContact O-CA 3.48Å; I114-S147 PolarHBondContact O-N 2.96Å
115Q88Confident78.9Confident4 Ų426.2 Ų26.22%0.01913%0.133CC..EExtended strand (participates in β ladder)trans-118.8120.6170.9-180169.661.800109.6M1 I2 H3 L4 L117 S147 V149M1-Q115 HydrophobicContact CE-CB 3.43Å; M1-Q115 VanDerWaalsContact CE-CB 3.43Å; M1-Q115 HydrophobicContact CE-CG 4.19Å; M1-Q115 HydrophobicContact CG-CB 4.38Å; M1-Q115 HydrophobicContact SD-CB 3.8Å; I2-Q115 PolarHBondContact O-N 3.18Å; H3-Q115 CarbonylContact C-O 3.56Å; H3-Q115 WeakPolarHBondContact CA-O 3.41Å; H3-Q115 PolarHBondContact CD2-OE1 3.29Å; H3-Q115 PolarHBondContact NE2-OE1 2.79Å; L4-Q115 PolarHBondContact N-O 3.09Å; Q115-L117 HydrophobicContact CG-CD2 3.86Å; Q115-S147 CarbonylContact C-O 3.57Å; Q115-S147 VanDerWaalsContact CA-O 3.3Å; Q115-S147 WeakPolarHBondContact CA-O 3.28Å; Q115-S147 WeakPolarHBondContact CB-OG 3.29Å; Q115-V149 HydrophobicContact CG-CG2 4.27Å
116I91.2Very high77.5Confident1 Ų132.7 Ų32.71%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-88.8128.4170.7-61.8162.2000108.2L4 V6 I97 L101 L118 T146 S147 I148 V149L4-I116 HydrophobicContact CB-CG1 4.18Å; L4-I116 HydrophobicContact CD1-CG1 4.26Å; L4-I116 CarbonylContact O-C 3.47Å; L4-I116 WeakPolarHBondContact O-CA 3.32Å; V6-I116 HydrophobicContact CB-CG2 4.5Å; V6-I116 HydrophobicContact CG2-CG2 3.93Å; I97-I116 HydrophobicContact CG2-CD1 3.51Å; L101-I116 HydrophobicContact CD1-CD1 3.6Å; L101-I116 HydrophobicContact CD2-CD1 3.55Å; L101-I116 HydrophobicContact CD2-CG1 4.01Å; L101-I116 HydrophobicContact CG-CD1 3.67Å; I116-L118 HydrophobicContact CG2-CB 4.29Å; I116-T146 HydrophobicContact CD1-CG2 4.03Å; I116-T146 HydrophobicContact CG1-CG2 4.38Å; I116-S147 PolarHBondContact N-O 2.99Å; I116-I148 HydrophobicContact CB-CB 4.47Å; I116-I148 HydrophobicContact CB-CG1 4.23Å; I116-I148 HydrophobicContact CB-CG2 4.12Å; I116-I148 HydrophobicContact CD1-CD1 3.98Å; I116-I148 HydrophobicContact CD1-CG1 3.92Å; I116-I148 HydrophobicContact CG2-CG2 4.24Å; I116-I148 WeakPolarHBondContact O-CA 3.46Å; I116-V149 PolarHBondContact O-N 3.24Å
117L93.4Very high76.2Confident0 Ų035.5 Ų35.50%017%0.166CC..EExtended strand (participates in β ladder)trans-105.7100.3169-55.6-178.2000107.1L4 V5 V6 V36 L40 Q115 F119 V149 I151 C205L4-L117 PolarHBondContact O-N 2.95Å; V5-L117 HydrophobicContact CG2-CD1 4.46Å; V6-L117 PolarHBondContact N-O 3.32Å; V36-L117 HydrophobicContact CG1-CD1 4.11Å; L40-L117 HydrophobicContact CD1-CD1 3.73Å; Q115-L117 HydrophobicContact CG-CD2 3.86Å; L117-F119 HydrophobicContact CB-CE2 3.87Å; L117-F119 WeakPolarHBondContact O-CD2 3.39Å; L117-V149 HydrophobicContact CD2-CB 3.81Å; L117-V149 HydrophobicContact CD2-CG2 3.93Å; L117-I151 HydrophobicContact CB-CD1 4.18Å; L117-C205 VanDerWaalsContact CD2-SG 3.59Å
118L93.7Very high75Confident0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-99.3111.3-177.3179.162.7000110.3V6 T93 I97 I116 V149 F150 I151 L162V6-L118 HydrophobicContact CB-CD1 3.77Å; V6-L118 HydrophobicContact CG1-CD1 3.56Å; V6-L118 CarbonylContact O-C 3.59Å; V6-L118 WeakPolarHBondContact O-CA 3.14Å; T93-L118 HydrophobicContact CG2-CD1 4.4Å; I97-L118 HydrophobicContact CD1-CD1 4.01Å; I97-L118 HydrophobicContact CD1-CD2 3.89Å; I116-L118 HydrophobicContact CG2-CB 4.29Å; L118-V149 PolarHBondContact N-O 3.44Å; L118-F150 HydrophobicContact CD2-CD1 3.67Å; L118-F150 HydrophobicContact CD2-CE1 3.67Å; L118-I151 PolarHBondContact O-N 2.69Å; L118-L162 HydrophobicContact CD2-CD1 3.81Å; L118-L162 HydrophobicContact CD2-CD2 3.48Å; L118-L162 VanDerWaalsContact CD2-CD2 3.48Å; L118-L162 HydrophobicContact CD2-CG 4.22Å
119F93.3Very high73.9Confident0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-89.7115.4179.6-68.4-94.9000110V5 V6 I7 D8 L29 L32 A33 V36 L117 I151V5-F119 HydrophobicContact CG1-CD2 4.19Å; V5-F119 HydrophobicContact CG1-CE2 3.84Å; V6-F119 PolarHBondContact O-N 3.38Å; I7-F119 HydrophobicContact CG1-CB 4.34Å; D8-F119 VanDerWaalsContact CB-O 3.25Å; D8-F119 WeakPolarHBondContact CB-O 3.13Å; D8-F119 PolarHBondContact N-O 3.41Å; L29-F119 HydrophobicContact CB-CB 4.38Å; L29-F119 HydrophobicContact CD2-CB 3.99Å; L32-F119 HydrophobicContact CB-CD1 4.48Å; L32-F119 HydrophobicContact CB-CE1 4.36Å; L32-F119 HydrophobicContact CD2-CD1 4.17Å; L32-F119 HydrophobicContact CD2-CE1 4.13Å; L32-F119 HydrophobicContact CG-CD1 4.3Å; L32-F119 HydrophobicContact CG-CE1 3.92Å; A33-F119 HydrophobicContact CB-CD1 4.24Å; A33-F119 HydrophobicContact CB-CD2 4.13Å; A33-F119 HydrophobicContact CB-CE1 4.09Å; A33-F119 HydrophobicContact CB-CE2 4Å; A33-F119 HydrophobicContact CB-CG 4.26Å; A33-F119 HydrophobicContact CB-CZ 3.97Å; V36-F119 HydrophobicContact CB-CZ 4.11Å; V36-F119 HydrophobicContact CG1-CZ 4.25Å; V36-F119 HydrophobicContact CG2-CE1 4.21Å; V36-F119 HydrophobicContact CG2-CZ 4.08Å; L117-F119 HydrophobicContact CB-CE2 3.87Å; L117-F119 WeakPolarHBondContact O-CD2 3.39Å; F119-I151 HydrophobicContact CD1-CB 4.16Å; F119-I151 HydrophobicContact CD1-CD1 3.96Å; F119-I151 HydrophobicContact CD1-CG2 3.98Å; F119-I151 HydrophobicContact CD2-CD1 4.24Å; F119-I151 HydrophobicContact CE1-CB 4.42Å; F119-I151 HydrophobicContact CE1-CD1 3.5Å; F119-I151 VanDerWaalsContact CE1-CD1 3.5Å; F119-I151 HydrophobicContact CE1-CG2 4.14Å; F119-I151 HydrophobicContact CE2-CD1 3.8Å; F119-I151 HydrophobicContact CG-CD1 4.31Å; F119-I151 HydrophobicContact CZ-CD1 3.41Å; F119-I151 VanDerWaalsContact CZ-CD1 3.41Å
120T90.7Very high73.2Confident0 Ų040.9 Ų40.90%020%0.2CC..EExtended strand (participates in β ladder)trans-138.8162.8-177.6-172.90000111.8D8 L29 G122 I151 S152 L153 L158 L162D8-T120 PolarHBondContact OD2-OG1 3.46Å; L29-T120 WeakPolarHBondContact CD2-O 3.41Å; T120-G122 VanDerWaalsContact C-N 3.33Å; T120-I151 PolarHBondContact N-O 2.98Å; T120-I151 VanDerWaalsContact O-O 3.11Å; T120-S152 WeakPolarHBondContact O-CA 3.17Å; T120-L153 PolarHBondContact O-N 3.16Å; T120-L153 VanDerWaalsContact O-N 3.14Å; T120-L158 HydrophobicContact CG2-CD2 3.89Å; T120-L162 HydrophobicContact CG2-CD1 4.38Å
121D86.3Confident72.9Confident1 Ų143.8 Ų43.81%0.00522%0.221CC..  trans-88.41.9-179.376.4-38.8000113.7R12 I13 R15 C25 G123 S154R12-D121 VanDerWaalsContact CD-OD1 3.23Å; R12-D121 WeakPolarHBondContact CD-OD1 3.1Å; R12-D121 IonicContact CZ-OD1 2.93Å; R12-D121 IonicContact NE-OD1 3.96Å; R12-D121 PolarHBondContact NE-OD1 2.92Å; R12-D121 IonicContact NE-OD2 2.6Å; I13-D121 HydrophobicContact CG2-CB 4.21Å; R15-D121 IonicContact CZ-OD2 3.28Å; R15-D121 VanDerWaalsContact CZ-OD2 3.27Å; R15-D121 IonicContact NE-OD2 3.3Å; R15-D121 PolarHBondContact NE-OD2 3.26Å; R15-D121 PolarHBondContact NH2-O 3.24Å; R15-D121 IonicContact NH2-OD2 3.29Å; R15-D121 PolarHBondContact NH2-OD2 2.88Å; C25-D121 HydrophobicContact CB-CB 4.03Å; D121-G123 VanDerWaalsContact C-N 3.31Å; D121-G123 PolarHBondContact O-N 2.79Å; D121-G123 PolarHBondContact OD1-N 2.84Å; D121-S154 PolarHBondContact O-OG 3.04Å
122G74.7Confident72.9Confident0 Ų043.7 Ų43.70%022%0.221CC..  trans73.112.6176.300000115.8T120 S152 S154 Q157T120-G122 VanDerWaalsContact C-N 3.33Å; G122-S152 WeakPolarHBondContact CA-OG 3.5Å; G122-S154 WeakPolarHBondContact CA-OG 3.48Å; G122-Q157 CarbonylContact C-O 3.59Å; G122-Q157 VanDerWaalsContact C-O 3.26Å; G122-Q157 WeakPolarHBondContact CA-O 3.37Å; G122-Q157 CarbonylContact O-C 3.53Å; G122-Q157 WeakPolarHBondContact O-CB 3.39Å
123G67.8Low72.6Confident13 Ų1348.1 Ų48.113%0.13425%0.248CC..  trans-77.9129-174.500000114.4D121 S125 S159D121-G123 VanDerWaalsContact C-N 3.31Å; D121-G123 PolarHBondContact O-N 2.79Å; D121-G123 PolarHBondContact OD1-N 2.84Å; G123-S125 PolarHBondContact O-N 3.48Å; G123-S125 VanDerWaalsContact O-N 3.15Å; G123-S159 PolarHBondContact O-N 3.03Å
124S58.8Low72.3Confident44 Ų4451 Ų5131%0.30826%0.259SS..  trans-70.8103.3164.352.10000110.2Y126 Q157S124-Y126 PolarHBondContact O-N 2.8Å; S124-Q157 VanDerWaalsContact CB-OE1 3.25Å; S124-Q157 PolarHBondContact OG-OE1 2.93Å
125S56.2Low71.5Confident15 Ų1551.9 Ų51.911%0.10526%0.264CS..  trans-85.910716958.30000110R12 G123 F127 S159 N160R12-S125 PolarHBondContact NH1-OG 3.38Å; G123-S125 PolarHBondContact O-N 3.48Å; G123-S125 VanDerWaalsContact O-N 3.15Å; S125-F127 PolarHBondContact O-N 2.78Å; S125-S159 VanDerWaalsContact OG-CB 3.3Å; S125-S159 WeakPolarHBondContact OG-CB 3.36Å; S125-N160 PolarHBondContact O-ND2 2.85Å
126Y51.9Low70.3Confident185 Ų18557.1 Ų57.173%0.72530%0.296SS*.THydrogen-bonded Turntrans-68.6-8.4168.1-62.2-77.7000113.3S124S124-Y126 PolarHBondContact O-N 2.8Å
127F51.7Low69.3Low191 Ų19163.6 Ų63.684%0.83833%0.331SS*.THydrogen-bonded Turntrans-91.44.4-166.4-64.7-72.2000115.3S125S125-F127 PolarHBondContact O-N 2.78Å
128T53.7Low68.4Low28 Ų2864.8 Ų64.817%0.17234%0.336CS..  trans-128.199.2-179.956.40000110.8F130 N160T128-F130 PolarHBondContact O-N 2.91Å; T128-N160 PolarHBondContact O-ND2 2.88Å
129N52.7Low67.4Low157 Ų15766.1 Ų66.184%0.8434%0.344SS*.  trans-92.746.4166.4-84.8-5000110.4
130F58.9Low66.5Low148 Ų14874.4 Ų74.465%0.64938%0.381SS*.PPolyproline II helixtrans-101.5128.1175.6-74.6-76.8000108.8L92 T128L92-F130 HydrophobicContact CD1-CB 3.67Å; L92-F130 HydrophobicContact CD2-CB 4.2Å; L92-F130 HydrophobicContact CG-CB 4.2Å; T128-F130 PolarHBondContact O-N 2.91Å
131S63.5Low65.4Low92 Ų9276.8 Ų76.864%0.64340%0.397SS*.PPolyproline II helixtrans-76.8143.1171.2-65.40000110.6T133S131-T133 PolarHBondContact O-N 2.91Å
132L69.3Low64.8Low12 Ų1276.9 Ų76.96%0.06340%0.398CS..PPolyproline II helixtrans-53.7118.7173.3-173.864.9000110.7A94 L98 Y134 E164 Q168A94-L132 HydrophobicContact CB-CD1 3.44Å; A94-L132 VanDerWaalsContact CB-CD1 3.44Å; L98-L132 HydrophobicContact CD1-CD1 3.77Å; L98-L132 HydrophobicContact CD1-CD2 3.92Å; L98-L132 HydrophobicContact CD1-CG 3.79Å; L98-L132 HydrophobicContact CG-CD1 4.48Å; L132-Y134 HydrophobicContact CD2-CE2 4.01Å; L132-Y134 HydrophobicContact CG-CE2 4.34Å; L132-E164 HydrophobicContact CB-CG 3.93Å; L132-E164 WeakPolarHBondContact CB-OE1 3.46Å; L132-E164 WeakPolarHBondContact CB-OE2 3.28Å; L132-E164 HydrophobicContact CD2-CG 4.27Å; L132-E164 PolarHBondContact N-OE1 3.47Å; L132-E164 PolarHBondContact N-OE2 2.84Å; L132-Q168 HydrophobicContact CD2-CG 4.4Å
133T68.7Low64.7Low96 Ų9678.9 Ų78.959%0.58941%0.408SS*.PPolyproline II helixtrans-91.9118.4172.6-55.70000108.8T95 S131T95-T133 PolarHBondContact OG1-N 2.89Å; T95-T133 PolarHBondContact OG1-O 2.82Å; S131-T133 PolarHBondContact O-N 2.91Å
134Y69.6Low64.8Low84 Ų8482.9 Ų82.933%0.32943%0.426SS..PPolyproline II helixtrans-77.4140.1173.5-76.5-94.3000110.4L98 L132 F138 Q168L98-Y134 HydrophobicContact CD1-CD1 3.75Å; L98-Y134 HydrophobicContact CD1-CE1 3.93Å; L98-Y134 HydrophobicContact CD1-CG 4.16Å; L98-Y134 HydrophobicContact CD2-CE1 4.44Å; L132-Y134 HydrophobicContact CD2-CE2 4.01Å; L132-Y134 HydrophobicContact CG-CE2 4.34Å; Y134-F138 HydrophobicContact CD1-CB 4.29Å; Y134-F138 HydrophobicContact CD1-CD1 4.13Å; Y134-F138 HydrophobicContact CD1-CG 4.23Å; Y134-F138 HydrophobicContact CE1-CD1 4.33Å; Y134-Q168 VanDerWaalsContact OH-CG 3.23Å; Y134-Q168 WeakPolarHBondContact OH-CG 3.41Å; Y134-Q168 PolarHBondContact OH-OE1 2.83Å
135P67Low65.5Low19 Ų1981.5 Ų81.512%0.12342%0.415CS..PPolyproline II helixtrans-60.9144.3166.519.7-24.6000110.3L98 N99 K102 D137 F138L98-P135 HydrophobicContact CB-CG 4.26Å; N99-P135 WeakPolarHBondContact OD1-CB 3.33Å; K102-P135 HydrophobicContact CD-CB 4.11Å; K102-P135 HydrophobicContact CD-CG 4.29Å; P135-D137 PolarHBondContact O-N 2.75Å; P135-F138 HydrophobicContact CG-CB 4.16Å; P135-F138 HydrophobicContact CG-CD2 3.83Å; P135-F138 HydrophobicContact CG-CG 4.4Å; P135-F138 PolarHBondContact O-N 2.89Å
136V63.9Low66.6Low114 Ų11480.8 Ų80.869%0.69141%0.41SS*.THydrogen-bonded Turntrans-53.2134.2171.2-173.90000108.4K102 F138K102-V136 PolarHBondContact NZ-O 2.85Å; V136-F138 PolarHBondContact O-N 3.5Å
137D69.6Low68.3Low137 Ų13772.6 Ų72.673%0.73338%0.381SS*.THydrogen-bonded Turntrans62.533.6-178.4-46.8-43.2000115.6P135 P139P135-D137 PolarHBondContact O-N 2.75Å; D137-P139 VanDerWaalsContact O-CD 3.3Å; D137-P139 WeakPolarHBondContact O-CD 3.43Å
138F73.8Confident70.1Confident24 Ų2463.5 Ų63.511%0.10534%0.341CS..  trans-63.1119170.9-169.9-99.2000110.7L98 L101 K102 Y134 P135 V136 K140 L142 L143L98-F138 HydrophobicContact CB-CE2 4.4Å; L98-F138 HydrophobicContact CD2-CE2 4.07Å; L98-F138 HydrophobicContact CD2-CZ 3.95Å; L101-F138 HydrophobicContact CB-CE2 4.23Å; K102-F138 HydrophobicContact CB-CD2 4.38Å; Y134-F138 HydrophobicContact CD1-CB 4.29Å; Y134-F138 HydrophobicContact CD1-CD1 4.13Å; Y134-F138 HydrophobicContact CD1-CG 4.23Å; Y134-F138 HydrophobicContact CE1-CD1 4.33Å; P135-F138 HydrophobicContact CG-CB 4.16Å; P135-F138 HydrophobicContact CG-CD2 3.83Å; P135-F138 HydrophobicContact CG-CG 4.4Å; P135-F138 PolarHBondContact O-N 2.89Å; V136-F138 PolarHBondContact O-N 3.5Å; F138-K140 PolarHBondContact O-N 2.91Å; F138-L142 HydrophobicContact CD2-CD1 4.45Å; F138-L142 HydrophobicContact CE1-CB 4.09Å; F138-L142 HydrophobicContact CE1-CD1 4.45Å; F138-L142 HydrophobicContact CE2-CD1 3.78Å; F138-L142 HydrophobicContact CZ-CB 3.9Å; F138-L142 HydrophobicContact CZ-CD1 3.78Å; F138-L143 HydrophobicContact CE1-CD2 4.16Å; F138-L143 HydrophobicContact CE1-CG 4.36Å
139P73.3Confident71.9Confident28 Ų2862.6 Ų62.618%0.18234%0.335CS..  trans-74.1114.8-175.826.6-29.6000110Y105 D137 S141 L142Y105-P139 HydrophobicContact CD1-CG 3.74Å; Y105-P139 HydrophobicContact CD2-CG 4.44Å; Y105-P139 HydrophobicContact CE1-CB 4.09Å; Y105-P139 HydrophobicContact CE1-CG 3.69Å; Y105-P139 HydrophobicContact CE2-CG 4.33Å; Y105-P139 HydrophobicContact CG-CG 4.12Å; D137-P139 VanDerWaalsContact O-CD 3.3Å; D137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-S141 PolarHBondContact O-N 2.88Å; P139-L142 HydrophobicContact CG-CD1 3.5Å; P139-L142 HydrophobicContact CG-CG 3.9Å; P139-L142 VanDerWaalsContact O-CB 3.3Å; P139-L142 WeakPolarHBondContact O-CB 2.98Å; P139-L142 PolarHBondContact O-N 3.14Å
140K74.1Confident73.7Confident175 Ų17555.1 Ų55.176%0.76130%0.295SS*.THydrogen-bonded Turntrans-56.9-24.6-178.6-67.5-175.6179-178.60113.9F138 L142 L143F138-K140 PolarHBondContact O-N 2.91Å; K140-L142 PolarHBondContact O-N 3.41Å; K140-L143 WeakPolarHBondContact O-CB 3.43Å; K140-L143 PolarHBondContact O-N 2.83Å
141S68.2Low75.3Confident49 Ų4948.1 Ų48.134%0.34326%0.264SS..THydrogen-bonded Turntrans-58-31.1173.946.80000112.8P139 L143 N144 D145P139-S141 PolarHBondContact O-N 2.88Å; S141-L143 PolarHBondContact O-N 2.69Å; S141-N144 PolarHBondContact O-N 3.25Å; S141-N144 VanDerWaalsContact O-N 3.08Å; S141-D145 PolarHBondContact O-N 3.49Å
142L74.1Confident76.6Confident4 Ų443.7 Ų43.72%0.02123%0.234CC..Hα-helixtrans-59-31.1176.7-87173.6000113.7Y105 I114 F138 P139 K140 N144 D145 T146Y105-L142 HydrophobicContact CD2-CD1 3.98Å; Y105-L142 HydrophobicContact CD2-CD2 3.32Å; Y105-L142 HydrophobicContact CD2-CG 3.46Å; Y105-L142 VanDerWaalsContact CD2-CG 3.46Å; Y105-L142 HydrophobicContact CE2-CD2 4.12Å; Y105-L142 HydrophobicContact CE2-CG 3.98Å; Y105-L142 HydrophobicContact CG-CD1 3.88Å; Y105-L142 HydrophobicContact CG-CD2 3.96Å; Y105-L142 HydrophobicContact CG-CG 3.92Å; I114-L142 HydrophobicContact CD1-CD2 4.34Å; F138-L142 HydrophobicContact CD2-CD1 4.45Å; F138-L142 HydrophobicContact CE1-CB 4.09Å; F138-L142 HydrophobicContact CE1-CD1 4.45Å; F138-L142 HydrophobicContact CE2-CD1 3.78Å; F138-L142 HydrophobicContact CZ-CB 3.9Å; F138-L142 HydrophobicContact CZ-CD1 3.78Å; P139-L142 HydrophobicContact CG-CD1 3.5Å; P139-L142 HydrophobicContact CG-CG 3.9Å; P139-L142 VanDerWaalsContact O-CB 3.3Å; P139-L142 WeakPolarHBondContact O-CB 2.98Å; P139-L142 PolarHBondContact O-N 3.14Å; K140-L142 PolarHBondContact O-N 3.41Å; L142-N144 PolarHBondContact O-N 3.46Å; L142-D145 PolarHBondContact O-N 3.35Å; L142-T146 VanDerWaalsContact O-CB 3.23Å; L142-T146 WeakPolarHBondContact O-CB 3.44Å; L142-T146 PolarHBondContact O-N 3.06Å; L142-T146 PolarHBondContact O-OG1 3.1Å
143L72.6Confident77.4Confident42 Ų4243.5 Ų43.522%0.2223%0.233CC..Hα-helixtrans-60.2-33.1178.8-62.8172.2000111.4F138 K140 S141 F169F138-L143 HydrophobicContact CE1-CD2 4.16Å; F138-L143 HydrophobicContact CE1-CG 4.36Å; K140-L143 WeakPolarHBondContact O-CB 3.43Å; K140-L143 PolarHBondContact O-N 2.83Å; S141-L143 PolarHBondContact O-N 2.69Å; L143-F169 HydrophobicContact CD2-CD1 4.21Å; L143-F169 HydrophobicContact CD2-CD2 4.34Å; L143-F169 HydrophobicContact CD2-CE1 3.71Å; L143-F169 HydrophobicContact CD2-CE2 3.84Å; L143-F169 HydrophobicContact CD2-CZ 3.52Å
144N69.7Low77.8Confident96 Ų9640.9 Ų40.951%0.51322%0.218SC..Hα-helixtrans-86.1-29.2-177.5-65.3-20.2000112.6S141 L142 K172 H234S141-N144 PolarHBondContact O-N 3.25Å; S141-N144 VanDerWaalsContact O-N 3.08Å; L142-N144 PolarHBondContact O-N 3.46Å; N144-K172 WeakPolarHBondContact O-CD 3.14Å; N144-K172 VanDerWaalsContact O-CE 3.23Å; N144-K172 WeakPolarHBondContact O-CE 3.48Å; N144-K172 PolarHBondContact O-NZ 3.38Å; N144-H234 PolarHBondContact O-CD2 2.84Å; N144-H234 VanDerWaalsContact O-CD2 3.31Å
145D72.2Confident78.3Confident15 Ų1539.3 Ų39.38%0.0822%0.215CC..Hα-helixtrans-100.71.3-174.7-69.3-48.7000114N113 I114 S141 L142 H234N113-D145 PolarHBondContact OD1-O 2.77Å; I114-D145 PolarHBondContact N-O 3.45Å; S141-D145 PolarHBondContact O-N 3.49Å; L142-D145 PolarHBondContact O-N 3.35Å; D145-H234 WeakPolarHBondContact OD1-CB 3.24Å; D145-H234 IonicContact OD1-CD2 2.91Å
146T80.8Confident78.9Confident0 Ų044.3 Ų44.30%024%0.235CC..EExtended strand (participates in β ladder)trans-108.8136.7176.6-510000110.8L101 I114 I116 L142 I148 F169L101-T146 HydrophobicContact CD1-CG2 4.2Å; L101-T146 HydrophobicContact CD2-CG2 3.71Å; I114-T146 HydrophobicContact CB-CG2 4.43Å; I114-T146 HydrophobicContact CG2-CG2 4.39Å; I114-T146 CarbonylContact O-C 3.54Å; I114-T146 VanDerWaalsContact O-CA 3.29Å; I114-T146 WeakPolarHBondContact O-CA 3.48Å; I116-T146 HydrophobicContact CD1-CG2 4.03Å; I116-T146 HydrophobicContact CG1-CG2 4.38Å; L142-T146 VanDerWaalsContact O-CB 3.23Å; L142-T146 WeakPolarHBondContact O-CB 3.44Å; L142-T146 PolarHBondContact O-N 3.06Å; L142-T146 PolarHBondContact O-OG1 3.1Å; T146-I148 HydrophobicContact CG2-CG1 4.37Å; T146-F169 HydrophobicContact CG2-CE1 4.14Å
147S86.1Confident79.7Confident14 Ų1443.2 Ų43.210%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-114146.8167.5590000110.2I114 Q115 I116 K172I114-S147 PolarHBondContact O-N 2.96Å; Q115-S147 CarbonylContact C-O 3.57Å; Q115-S147 VanDerWaalsContact CA-O 3.3Å; Q115-S147 WeakPolarHBondContact CA-O 3.28Å; Q115-S147 WeakPolarHBondContact CB-OG 3.29Å; I116-S147 PolarHBondContact N-O 2.99Å; S147-K172 WeakPolarHBondContact CA-O 2.71Å; S147-K172 WeakPolarHBondContact CB-O 3.18Å
148I89.8Confident80.3Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-127.7118.7-179.1-50.9-176.5000109I116 T146 F150 L165 F169 K172 S173 I174I116-I148 HydrophobicContact CB-CB 4.47Å; I116-I148 HydrophobicContact CB-CG1 4.23Å; I116-I148 HydrophobicContact CB-CG2 4.12Å; I116-I148 HydrophobicContact CD1-CD1 3.98Å; I116-I148 HydrophobicContact CD1-CG1 3.92Å; I116-I148 HydrophobicContact CG2-CG2 4.24Å; I116-I148 WeakPolarHBondContact O-CA 3.46Å; T146-I148 HydrophobicContact CG2-CG1 4.37Å; I148-F150 HydrophobicContact CB-CD2 4.32Å; I148-F150 HydrophobicContact CB-CE2 3.76Å; I148-F150 HydrophobicContact CB-CZ 4.34Å; I148-F150 HydrophobicContact CG2-CD2 3.73Å; I148-F150 HydrophobicContact CG2-CE1 4.24Å; I148-F150 HydrophobicContact CG2-CE2 3.32Å; I148-F150 HydrophobicContact CG2-CG 4.34Å; I148-F150 HydrophobicContact CG2-CZ 3.61Å; I148-L165 HydrophobicContact CD1-CD1 4.44Å; I148-L165 HydrophobicContact CD1-CD2 4.02Å; I148-L165 HydrophobicContact CD1-CG 4.01Å; I148-F169 HydrophobicContact CD1-CB 4.03Å; I148-F169 HydrophobicContact CD1-CD1 4.1Å; I148-F169 HydrophobicContact CD1-CD2 3.59Å; I148-F169 HydrophobicContact CD1-CE1 4.43Å; I148-F169 HydrophobicContact CD1-CE2 3.99Å; I148-F169 HydrophobicContact CD1-CG 3.64Å; I148-F169 HydrophobicContact CD1-CZ 4.38Å; I148-F169 HydrophobicContact CG1-CB 4.41Å; I148-F169 HydrophobicContact CG1-CD1 4.43Å; I148-F169 HydrophobicContact CG1-CG 4.27Å; I148-K172 PolarHBondContact N-O 2.92Å; I148-S173 CarbonylContact O-C 3.58Å; I148-S173 WeakPolarHBondContact O-CA 3.3Å; I148-I174 PolarHBondContact O-N 3.37Å
149V91.1Very high80.6Confident9 Ų935.8 Ų35.86%0.05518%0.184CC..EExtended strand (participates in β ladder)trans-101.4107.7172.7-1720000107.7Q115 I116 L117 L118 I151 I174 F176Q115-V149 HydrophobicContact CG-CG2 4.27Å; I116-V149 PolarHBondContact O-N 3.24Å; L117-V149 HydrophobicContact CD2-CB 3.81Å; L117-V149 HydrophobicContact CD2-CG2 3.93Å; L118-V149 PolarHBondContact N-O 3.44Å; V149-I151 HydrophobicContact CG1-CG1 4.03Å; V149-I151 PolarHBondContact O-N 2.93Å; V149-I174 WeakPolarHBondContact CA-O 3.49Å; V149-F176 HydrophobicContact CG1-CB 4.3Å
150F91.4Very high81Confident0 Ų037.6 Ų37.60%019%0.192CC..EExtended strand (participates in β ladder)trans-83.9105.5174.5-64.8-98.9000108.4L118 I148 S152 L158 L162 L165 Y166 I174 I175 F176L118-F150 HydrophobicContact CD2-CD1 3.67Å; L118-F150 HydrophobicContact CD2-CE1 3.67Å; I148-F150 HydrophobicContact CB-CD2 4.32Å; I148-F150 HydrophobicContact CB-CE2 3.76Å; I148-F150 HydrophobicContact CB-CZ 4.34Å; I148-F150 HydrophobicContact CG2-CD2 3.73Å; I148-F150 HydrophobicContact CG2-CE1 4.24Å; I148-F150 HydrophobicContact CG2-CE2 3.32Å; I148-F150 HydrophobicContact CG2-CG 4.34Å; I148-F150 HydrophobicContact CG2-CZ 3.61Å; F150-S152 PolarHBondContact O-N 3.18Å; F150-L158 HydrophobicContact CB-CD1 4.28Å; F150-L158 HydrophobicContact CB-CD2 4.06Å; F150-L158 HydrophobicContact CD1-CD1 3.63Å; F150-L158 HydrophobicContact CD1-CD2 3.97Å; F150-L158 HydrophobicContact CD1-CG 4.46Å; F150-L158 HydrophobicContact CD2-CD1 4.47Å; F150-L158 HydrophobicContact CE1-CD1 4.02Å; F150-L158 HydrophobicContact CG-CD1 3.89Å; F150-L158 HydrophobicContact CG-CD2 4.34Å; F150-L162 HydrophobicContact CE1-CB 4.1Å; F150-L162 HydrophobicContact CE1-CD2 4.46Å; F150-L165 HydrophobicContact CE1-CD2 4.4Å; F150-L165 HydrophobicContact CZ-CB 4.47Å; F150-L165 HydrophobicContact CZ-CD2 4.17Å; F150-L165 HydrophobicContact CZ-CG 4.36Å; F150-Y166 AromaticContact CD2-CD2 3.98Å; F150-Y166 HydrophobicContact CD2-CD2 3.98Å; F150-Y166 AromaticContact CE2-CD2 3.79Å; F150-Y166 HydrophobicContact CE2-CD2 3.79Å; F150-Y166 HydrophobicContact CE2-CG 4.4Å; F150-I174 PolarHBondContact N-O 2.82Å; F150-I175 HydrophobicContact CB-CG1 4.25Å; F150-I175 CarbonylContact O-C 3.35Å; F150-I175 WeakPolarHBondContact O-CA 3.26Å; F150-F176 PolarHBondContact O-N 3.09Å
151I92.6Very high81.2Confident0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-93.4100.5-178.7-58.8161.9000107.6L32 L117 L118 F119 T120 V149 F176 I201L32-I151 HydrophobicContact CD2-CG2 3.94Å; L117-I151 HydrophobicContact CB-CD1 4.18Å; L118-I151 PolarHBondContact O-N 2.69Å; F119-I151 HydrophobicContact CD1-CB 4.16Å; F119-I151 HydrophobicContact CD1-CD1 3.96Å; F119-I151 HydrophobicContact CD1-CG2 3.98Å; F119-I151 HydrophobicContact CD2-CD1 4.24Å; F119-I151 HydrophobicContact CE1-CB 4.42Å; F119-I151 HydrophobicContact CE1-CD1 3.5Å; F119-I151 VanDerWaalsContact CE1-CD1 3.5Å; F119-I151 HydrophobicContact CE1-CG2 4.14Å; F119-I151 HydrophobicContact CE2-CD1 3.8Å; F119-I151 HydrophobicContact CG-CD1 4.31Å; F119-I151 HydrophobicContact CZ-CD1 3.41Å; F119-I151 VanDerWaalsContact CZ-CD1 3.41Å; T120-I151 PolarHBondContact N-O 2.98Å; T120-I151 VanDerWaalsContact O-O 3.11Å; V149-I151 HydrophobicContact CG1-CG1 4.03Å; V149-I151 PolarHBondContact O-N 2.93Å; I151-F176 HydrophobicContact CG2-CD1 4.26Å; I151-I201 HydrophobicContact CD1-CD1 4.25Å; I151-I201 HydrophobicContact CD1-CG2 3.83Å; I151-I201 HydrophobicContact CG1-CD1 4.45Å; I151-I201 HydrophobicContact CG1-CG2 4.44Å; I151-I201 HydrophobicContact CG2-CD1 3.65Å; I151-I201 HydrophobicContact CG2-CG1 4.37Å
152S90.9Very high82.1Confident0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-100.4128.8-177.61770000111.2T120 G122 F150 D155 F176 A178T120-S152 WeakPolarHBondContact O-CA 3.17Å; G122-S152 WeakPolarHBondContact CA-OG 3.5Å; F150-S152 PolarHBondContact O-N 3.18Å; S152-D155 VanDerWaalsContact CB-O 3.24Å; S152-D155 WeakPolarHBondContact CB-O 3.4Å; S152-D155 PolarHBondContact OG-N 2.69Å; S152-D155 PolarHBondContact OG-O 3.38Å; S152-F176 PolarHBondContact N-O 3.37Å; S152-A178 VanDerWaalsContact O-CB 3.25Å; S152-A178 WeakPolarHBondContact O-CB 3.49Å; S152-A178 PolarHBondContact O-N 3.11Å
153L86.1Confident82.5Confident8 Ų829.7 Ų29.74%0.04215%0.153CC..SBendtrans-72.9-26.4176.2-74.1176.9000114.2C25 L28 L29 L32 T120C25-L153 HydrophobicContact CB-CD1 4.38Å; L28-L153 HydrophobicContact CB-CD1 4.14Å; L29-L153 HydrophobicContact CD2-CD1 3.5Å; L29-L153 VanDerWaalsContact CD2-CD1 3.5Å; L29-L153 HydrophobicContact CD2-CD2 4.29Å; L29-L153 HydrophobicContact CD2-CG 3.55Å; L29-L153 HydrophobicContact CG-CD1 3.67Å; L29-L153 HydrophobicContact CG-CG 4.3Å; L32-L153 HydrophobicContact CD2-CD2 4.25Å; T120-L153 PolarHBondContact O-N 3.16Å; T120-L153 VanDerWaalsContact O-N 3.14Å
154S78Confident83Confident40 Ų4030.2 Ų30.228%0.2815%0.154SC..SBendtrans-100.4-75.6-175.155.80000112.3D121 G122 S179D121-S154 PolarHBondContact O-OG 3.04Å; G122-S154 WeakPolarHBondContact CA-OG 3.48Å; S154-S179 WeakPolarHBondContact O-CB 3.36Å; S154-S179 PolarHBondContact O-OG 2.98Å
155D78.9Confident83.7Confident51 Ų5125.6 Ų25.627%0.27313%0.13SC..  trans-150.1-172.7-163.666.9-25.9000110.6S152 Q157S152-D155 VanDerWaalsContact CB-O 3.24Å; S152-D155 WeakPolarHBondContact CB-O 3.4Å; S152-D155 PolarHBondContact OG-N 2.69Å; S152-D155 PolarHBondContact OG-O 3.38Å; D155-Q157 PolarHBondContact O-N 3.28Å; D155-Q157 WeakPolarHBondContact OD2-CG 3.3Å; D155-Q157 PolarHBondContact OD2-NE2 3.16Å; D155-Q157 VanDerWaalsContact OD2-NE2 3.14Å
156K80.4Confident84.4Confident125 Ų12527.4 Ų27.454%0.54314%0.136SC..SBendtrans-71.1-6.1178.7-71.8-170.1171.9-176.60114.2E177K156-E177 HydrophobicContact CB-CG 4.48Å; K156-E177 WeakPolarHBondContact CE-OE1 3.15Å; K156-E177 WeakPolarHBondContact CE-OE2 3.49Å; K156-E177 HydrophobicContact CG-CG 3.56Å; K156-E177 VanDerWaalsContact CG-OE1 3.25Å; K156-E177 WeakPolarHBondContact CG-OE1 3.36Å; K156-E177 VanDerWaalsContact CG-OE2 3.28Å; K156-E177 WeakPolarHBondContact CG-OE2 3.39Å; K156-E177 IonicContact NZ-OE1 3.34Å
157Q80.8Confident84.5Confident91 Ų9131.5 Ų31.543%0.42516%0.158SC..  trans-72.7141.9-177-68.4179.63500109.5G122 S124 D155G122-Q157 CarbonylContact C-O 3.59Å; G122-Q157 VanDerWaalsContact C-O 3.26Å; G122-Q157 WeakPolarHBondContact CA-O 3.37Å; G122-Q157 CarbonylContact O-C 3.53Å; G122-Q157 WeakPolarHBondContact O-CB 3.39Å; S124-Q157 VanDerWaalsContact CB-OE1 3.25Å; S124-Q157 PolarHBondContact OG-OE1 2.93Å; D155-Q157 PolarHBondContact O-N 3.28Å; D155-Q157 WeakPolarHBondContact OD2-CG 3.3Å; D155-Q157 PolarHBondContact OD2-NE2 3.16Å; D155-Q157 VanDerWaalsContact OD2-NE2 3.14Å
158L82.5Confident84.3Confident5 Ų535 Ų353%0.02617%0.173CC..  trans-127.3158.7169.7-59.4172.6000107T120 F150 L162 M163 Y166 I175T120-L158 HydrophobicContact CG2-CD2 3.89Å; F150-L158 HydrophobicContact CB-CD1 4.28Å; F150-L158 HydrophobicContact CB-CD2 4.06Å; F150-L158 HydrophobicContact CD1-CD1 3.63Å; F150-L158 HydrophobicContact CD1-CD2 3.97Å; F150-L158 HydrophobicContact CD1-CG 4.46Å; F150-L158 HydrophobicContact CD2-CD1 4.47Å; F150-L158 HydrophobicContact CE1-CD1 4.02Å; F150-L158 HydrophobicContact CG-CD1 3.89Å; F150-L158 HydrophobicContact CG-CD2 4.34Å; L158-L162 HydrophobicContact CB-CB 4.02Å; L158-M163 HydrophobicContact CB-CG 3.82Å; L158-M163 HydrophobicContact CB-SD 3.73Å; L158-M163 HydrophobicContact CD1-SD 3.97Å; L158-M163 HydrophobicContact CG-SD 4.14Å; L158-Y166 HydrophobicContact CD1-CG 4.46Å; L158-I175 HydrophobicContact CD1-CD1 3.7Å; L158-I175 HydrophobicContact CD1-CG1 4.07Å; L158-I175 HydrophobicContact CG-CD1 4.12Å
159S80.2Confident83.9Confident0 Ų035.3 Ų35.30%017%0.174CC..  trans-65.5157171.552.90000111.9R12 G123 S125 D161 L162 M163R12-S159 VanDerWaalsContact NH2-CB 3.32Å; R12-S159 PolarHBondContact NH2-OG 3.49Å; G123-S159 PolarHBondContact O-N 3.03Å; S125-S159 VanDerWaalsContact OG-CB 3.3Å; S125-S159 WeakPolarHBondContact OG-CB 3.36Å; S159-D161 WeakPolarHBondContact CB-OD1 3.27Å; S159-D161 PolarHBondContact O-N 2.94Å; S159-D161 VanDerWaalsContact O-N 3.15Å; S159-D161 PolarHBondContact OG-OD1 3.05Å; S159-L162 CarbonylContact O-C 3.58Å; S159-L162 PolarHBondContact O-N 3.34Å; S159-L162 WeakPolarHBondContact OG-CG 3.3Å; S159-M163 WeakPolarHBondContact O-CB 3.37Å; S159-M163 PolarHBondContact O-N 3.4Å
160N79.7Confident82.9Confident66 Ų6640.6 Ų40.635%0.35320%0.198SC..Hα-helixtrans-53.1-39.4-175.9-71.5-13.9000113.1S125 T128 M163 E164S125-N160 PolarHBondContact O-ND2 2.85Å; T128-N160 PolarHBondContact O-ND2 2.88Å; N160-M163 PolarHBondContact O-N 3.46Å; N160-E164 PolarHBondContact O-N 2.92Å
161D80.2Confident82Confident1 Ų148.8 Ų48.81%0.00524%0.241CC..Hα-helixtrans-68-41.1178.166.6-44.3000112.8Q10 L92 T93 A94 S159 E164 L165Q10-D161 PolarHBondContact NE2-OD1 2.81Å; Q10-D161 PolarHBondContact NE2-OD2 2.82Å; Q10-D161 VanDerWaalsContact NE2-OD2 3.12Å; L92-D161 HydrophobicContact CB-CB 4.18Å; L92-D161 HydrophobicContact CD1-CB 3.94Å; L92-D161 HydrophobicContact CD2-CB 3.92Å; L92-D161 HydrophobicContact CG-CB 4.24Å; T93-D161 PolarHBondContact N-OD2 3.5Å; A94-D161 HydrophobicContact CB-CB 4.15Å; A94-D161 WeakPolarHBondContact CB-O 3.36Å; S159-D161 WeakPolarHBondContact CB-OD1 3.27Å; S159-D161 PolarHBondContact O-N 2.94Å; S159-D161 VanDerWaalsContact O-N 3.15Å; S159-D161 PolarHBondContact OG-OD1 3.05Å; D161-E164 PolarHBondContact O-N 3.39Å; D161-L165 PolarHBondContact O-N 3.2Å; D161-L165 VanDerWaalsContact O-N 3.07Å
162L85.2Confident81.3Confident0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-73.1-32176-64.9-173.3000112.2T93 I97 L118 T120 F150 L158 S159 L165 Y166T93-L162 HydrophobicContact CG2-CD2 4.2Å; I97-L162 HydrophobicContact CD1-CD2 4.45Å; L118-L162 HydrophobicContact CD2-CD1 3.81Å; L118-L162 HydrophobicContact CD2-CD2 3.48Å; L118-L162 VanDerWaalsContact CD2-CD2 3.48Å; L118-L162 HydrophobicContact CD2-CG 4.22Å; T120-L162 HydrophobicContact CG2-CD1 4.38Å; F150-L162 HydrophobicContact CE1-CB 4.1Å; F150-L162 HydrophobicContact CE1-CD2 4.46Å; L158-L162 HydrophobicContact CB-CB 4.02Å; S159-L162 CarbonylContact O-C 3.58Å; S159-L162 PolarHBondContact O-N 3.34Å; S159-L162 WeakPolarHBondContact OG-CG 3.3Å; L162-L165 PolarHBondContact O-N 3.28Å; L162-Y166 WeakPolarHBondContact O-CB 3.36Å; L162-Y166 PolarHBondContact O-N 2.9Å
163M84.2Confident81Confident61 Ų6152 Ų5230%0.326%0.256SS..Hα-helixtrans-64.9-40.8170.7-79.5-55.9-57.800111.3L158 S159 N160 L165 Y166 N167L158-M163 HydrophobicContact CB-CG 3.82Å; L158-M163 HydrophobicContact CB-SD 3.73Å; L158-M163 HydrophobicContact CD1-SD 3.97Å; L158-M163 HydrophobicContact CG-SD 4.14Å; S159-M163 WeakPolarHBondContact O-CB 3.37Å; S159-M163 PolarHBondContact O-N 3.4Å; N160-M163 PolarHBondContact O-N 3.46Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-Y166 HydrophobicContact CE-CD1 4.33Å; M163-Y166 PolarHBondContact O-N 2.88Å; M163-N167 WeakPolarHBondContact O-CB 3.2Å; M163-N167 PolarHBondContact O-N 2.81Å; M163-N167 PolarHBondContact O-ND2 2.69Å
164E82.8Confident81Confident52 Ų5254.7 Ų54.724%0.24327%0.269CS..Hα-helixtrans-62.1-44.6173.9-168.3171.7-177.500110.6L132 N160 D161 N167 Q168L132-E164 HydrophobicContact CB-CG 3.93Å; L132-E164 WeakPolarHBondContact CB-OE1 3.46Å; L132-E164 WeakPolarHBondContact CB-OE2 3.28Å; L132-E164 HydrophobicContact CD2-CG 4.27Å; L132-E164 PolarHBondContact N-OE1 3.47Å; L132-E164 PolarHBondContact N-OE2 2.84Å; N160-E164 PolarHBondContact O-N 2.92Å; D161-E164 PolarHBondContact O-N 3.39Å; E164-N167 PolarHBondContact O-N 3.43Å; E164-Q168 VanDerWaalsContact O-CG 3.24Å; E164-Q168 WeakPolarHBondContact O-CG 3.43Å; E164-Q168 PolarHBondContact O-N 3.13Å; E164-Q168 VanDerWaalsContact O-N 3.13Å
165L84.8Confident81.5Confident0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-60.1-46.6173.2-170.570.1000112A94 I97 L98 I148 F150 D161 L162 M163 N167 Q168 F169A94-L165 HydrophobicContact CB-CB 4.13Å; A94-L165 HydrophobicContact CB-CD2 4.46Å; I97-L165 HydrophobicContact CB-CD2 4.39Å; I97-L165 HydrophobicContact CD1-CD2 3.84Å; I97-L165 HydrophobicContact CG2-CD2 4.09Å; L98-L165 HydrophobicContact CD2-CD1 3.99Å; L98-L165 HydrophobicContact CG-CD1 4.37Å; I148-L165 HydrophobicContact CD1-CD1 4.44Å; I148-L165 HydrophobicContact CD1-CD2 4.02Å; I148-L165 HydrophobicContact CD1-CG 4.01Å; F150-L165 HydrophobicContact CE1-CD2 4.4Å; F150-L165 HydrophobicContact CZ-CB 4.47Å; F150-L165 HydrophobicContact CZ-CD2 4.17Å; F150-L165 HydrophobicContact CZ-CG 4.36Å; D161-L165 PolarHBondContact O-N 3.2Å; D161-L165 VanDerWaalsContact O-N 3.07Å; L162-L165 PolarHBondContact O-N 3.28Å; M163-L165 VanDerWaalsContact C-N 3.34Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.41Å; L165-Q168 PolarHBondContact O-N 2.84Å; L165-Q168 VanDerWaalsContact O-N 3.16Å; L165-F169 HydrophobicContact CD1-CD2 3.9Å; L165-F169 HydrophobicContact CD1-CE2 3.59Å; L165-F169 HydrophobicContact CG-CD2 4.23Å; L165-F169 HydrophobicContact CG-CE2 4.38Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 3.15Å; L165-F169 VanDerWaalsContact O-N 3.11Å
166Y86Confident82Confident53 Ų5352 Ų5221%0.20825%0.251CS..Hα-helixtrans-57-46.2177175-93.2000111.5F150 L158 L162 M163 Q168 F169 Q170 S173 I175F150-Y166 AromaticContact CD2-CD2 3.98Å; F150-Y166 HydrophobicContact CD2-CD2 3.98Å; F150-Y166 AromaticContact CE2-CD2 3.79Å; F150-Y166 HydrophobicContact CE2-CD2 3.79Å; F150-Y166 HydrophobicContact CE2-CG 4.4Å; L158-Y166 HydrophobicContact CD1-CG 4.46Å; L162-Y166 WeakPolarHBondContact O-CB 3.36Å; L162-Y166 PolarHBondContact O-N 2.9Å; M163-Y166 HydrophobicContact CE-CD1 4.33Å; M163-Y166 PolarHBondContact O-N 2.88Å; Y166-Q168 VanDerWaalsContact C-N 3.27Å; Y166-Q168 PolarHBondContact O-N 3.26Å; Y166-F169 CarbonylContact O-C 3.59Å; Y166-F169 PolarHBondContact O-N 3.31Å; Y166-Q170 HydrophobicContact CE1-CG 4.48Å; Y166-Q170 VanDerWaalsContact O-CA 3.24Å; Y166-Q170 WeakPolarHBondContact O-CA 3.3Å; Y166-Q170 PolarHBondContact O-N 2.75Å; Y166-S173 VanDerWaalsContact CD2-OG 3.3Å; Y166-S173 WeakPolarHBondContact CD2-OG 3.39Å; Y166-S173 WeakPolarHBondContact CE2-OG 3.48Å; Y166-S173 PolarHBondContact O-OG 2.81Å; Y166-I175 HydrophobicContact CD2-CD1 4.16Å; Y166-I175 HydrophobicContact CD2-CG1 3.98Å; Y166-I175 HydrophobicContact CE2-CD1 3.97Å; Y166-I175 HydrophobicContact CE2-CG1 3.72Å
167N83.7Confident82.4Confident86 Ų8647.2 Ų47.246%0.4623%0.231SC..Hα-helixtrans-62.7-33178.8-70.3-25.7000112.6M163 E164 L165 Q170M163-N167 WeakPolarHBondContact O-CB 3.2Å; M163-N167 PolarHBondContact O-N 2.81Å; M163-N167 PolarHBondContact O-ND2 2.69Å; E164-N167 PolarHBondContact O-N 3.43Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.41Å; N167-Q170 WeakPolarHBondContact O-CB 3.48Å
168Q81.3Confident82.6Confident88 Ų8843 Ų4341%0.41121%0.211SC..Hα-helixtrans-74-33.8177.5-65.2-69.8-13.800112.5L132 Y134 E164 L165 Y166L132-Q168 HydrophobicContact CD2-CG 4.4Å; Y134-Q168 VanDerWaalsContact OH-CG 3.23Å; Y134-Q168 WeakPolarHBondContact OH-CG 3.41Å; Y134-Q168 PolarHBondContact OH-OE1 2.83Å; E164-Q168 VanDerWaalsContact O-CG 3.24Å; E164-Q168 WeakPolarHBondContact O-CG 3.43Å; E164-Q168 PolarHBondContact O-N 3.13Å; E164-Q168 VanDerWaalsContact O-N 3.13Å; L165-Q168 PolarHBondContact O-N 2.84Å; L165-Q168 VanDerWaalsContact O-N 3.16Å; Y166-Q168 VanDerWaalsContact C-N 3.27Å; Y166-Q168 PolarHBondContact O-N 3.26Å
169F81.2Confident82.4Confident5 Ų545.2 Ų45.22%0.02223%0.228CC..THydrogen-bonded Turntrans-102.322.4178.5-69-94.3000112.6L98 L101 L143 T146 I148 L165 Y166 L171 K172 S173L98-F169 HydrophobicContact CD2-CE2 4.16Å; L98-F169 HydrophobicContact CD2-CZ 4.37Å; L101-F169 HydrophobicContact CD1-CZ 3.92Å; L143-F169 HydrophobicContact CD2-CD1 4.21Å; L143-F169 HydrophobicContact CD2-CD2 4.34Å; L143-F169 HydrophobicContact CD2-CE1 3.71Å; L143-F169 HydrophobicContact CD2-CE2 3.84Å; L143-F169 HydrophobicContact CD2-CZ 3.52Å; T146-F169 HydrophobicContact CG2-CE1 4.14Å; I148-F169 HydrophobicContact CD1-CB 4.03Å; I148-F169 HydrophobicContact CD1-CD1 4.1Å; I148-F169 HydrophobicContact CD1-CD2 3.59Å; I148-F169 HydrophobicContact CD1-CE1 4.43Å; I148-F169 HydrophobicContact CD1-CE2 3.99Å; I148-F169 HydrophobicContact CD1-CG 3.64Å; I148-F169 HydrophobicContact CD1-CZ 4.38Å; I148-F169 HydrophobicContact CG1-CB 4.41Å; I148-F169 HydrophobicContact CG1-CD1 4.43Å; I148-F169 HydrophobicContact CG1-CG 4.27Å; L165-F169 HydrophobicContact CD1-CD2 3.9Å; L165-F169 HydrophobicContact CD1-CE2 3.59Å; L165-F169 HydrophobicContact CG-CD2 4.23Å; L165-F169 HydrophobicContact CG-CE2 4.38Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 3.15Å; L165-F169 VanDerWaalsContact O-N 3.11Å; Y166-F169 CarbonylContact O-C 3.59Å; Y166-F169 PolarHBondContact O-N 3.31Å; F169-L171 PolarHBondContact O-N 2.89Å; F169-K172 PolarHBondContact O-N 2.93Å; F169-S173 VanDerWaalsContact C-OG 3.31Å; F169-S173 WeakPolarHBondContact O-CB 3.49Å; F169-S173 PolarHBondContact O-N 2.81Å; F169-S173 PolarHBondContact O-OG 2.78Å
170Q70.7Confident82.6Confident121 Ų12151.1 Ų51.157%0.56525%0.253SS*.THydrogen-bonded Turntrans-54.4-32.7-164.2-169.3177.711.200114.2Y166 N167 K172 S173Y166-Q170 HydrophobicContact CE1-CG 4.48Å; Y166-Q170 VanDerWaalsContact O-CA 3.24Å; Y166-Q170 WeakPolarHBondContact O-CA 3.3Å; Y166-Q170 PolarHBondContact O-N 2.75Å; N167-Q170 WeakPolarHBondContact O-CB 3.48Å; Q170-K172 VanDerWaalsContact C-N 3.27Å; Q170-K172 PolarHBondContact O-N 3.46Å; Q170-S173 WeakPolarHBondContact CA-OG 3.31Å
171L72.3Confident82.7Confident171 Ų17151.8 Ų51.890%0.89525%0.251SS*.THydrogen-bonded Turntrans-70.6-20.1-178.8-66.4175.6000114.1F169F169-L171 PolarHBondContact O-N 2.89Å
172K77.8Confident82.3Confident61 Ų6153.3 Ų53.327%0.26526%0.259SS..THydrogen-bonded Turntrans-134.59.8-174.1-70.7-168.3167.8-166.80113.9N144 S147 I148 F169 Q170 H234N144-K172 WeakPolarHBondContact O-CD 3.14Å; N144-K172 VanDerWaalsContact O-CE 3.23Å; N144-K172 WeakPolarHBondContact O-CE 3.48Å; N144-K172 PolarHBondContact O-NZ 3.38Å; S147-K172 WeakPolarHBondContact CA-O 2.71Å; S147-K172 WeakPolarHBondContact CB-O 3.18Å; I148-K172 PolarHBondContact N-O 2.92Å; F169-K172 PolarHBondContact O-N 2.93Å; Q170-K172 VanDerWaalsContact C-N 3.27Å; Q170-K172 PolarHBondContact O-N 3.46Å; K172-H234 WeakPolarHBondContact CE-NE2 3.25Å; K172-H234 PolarHBondContact NZ-CD2 2.93Å; K172-H234 PolarHBondContact NZ-NE2 3.45Å
173S83.8Confident81.3Confident8 Ų857.8 Ų57.86%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-100.2140175.349.80000110.8I148 Y166 F169 Q170I148-S173 CarbonylContact O-C 3.58Å; I148-S173 WeakPolarHBondContact O-CA 3.3Å; Y166-S173 VanDerWaalsContact CD2-OG 3.3Å; Y166-S173 WeakPolarHBondContact CD2-OG 3.39Å; Y166-S173 WeakPolarHBondContact CE2-OG 3.48Å; Y166-S173 PolarHBondContact O-OG 2.81Å; F169-S173 VanDerWaalsContact C-OG 3.31Å; F169-S173 WeakPolarHBondContact O-CB 3.49Å; F169-S173 PolarHBondContact O-N 2.81Å; F169-S173 PolarHBondContact O-OG 2.78Å; Q170-S173 WeakPolarHBondContact CA-OG 3.31Å
174I87.3Confident80.5Confident63 Ų6359.4 Ų59.432%0.32330%0.3SS..EExtended strand (participates in β ladder)trans-131.2137.9179.2-60.2173.7000107.5I148 V149 F150I148-I174 PolarHBondContact O-N 3.37Å; V149-I174 WeakPolarHBondContact CA-O 3.49Å; F150-I174 PolarHBondContact N-O 2.82Å
175I87.4Confident79.6Confident30 Ų3059.4 Ų59.415%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-97.7113.4170-53.8175.9000107.7F150 L158 Y166F150-I175 HydrophobicContact CB-CG1 4.25Å; F150-I175 CarbonylContact O-C 3.35Å; F150-I175 WeakPolarHBondContact O-CA 3.26Å; L158-I175 HydrophobicContact CD1-CD1 3.7Å; L158-I175 HydrophobicContact CD1-CG1 4.07Å; L158-I175 HydrophobicContact CG-CD1 4.12Å; Y166-I175 HydrophobicContact CD2-CD1 4.16Å; Y166-I175 HydrophobicContact CD2-CG1 3.98Å; Y166-I175 HydrophobicContact CE2-CD1 3.97Å; Y166-I175 HydrophobicContact CE2-CG1 3.72Å
176F89.2Confident78.7Confident5 Ų568.3 Ų68.32%0.02235%0.346CS..EExtended strand (participates in β ladder)trans-89.1111.6172.2-178.2-83.1000108.7V149 F150 I151 S152 Y181 L197 H200 I201 H204V149-F176 HydrophobicContact CG1-CB 4.3Å; F150-F176 PolarHBondContact O-N 3.09Å; I151-F176 HydrophobicContact CG2-CD1 4.26Å; S152-F176 PolarHBondContact N-O 3.37Å; F176-Y181 HydrophobicContact CD2-CE2 4.09Å; F176-Y181 HydrophobicContact CE1-CD2 4Å; F176-Y181 HydrophobicContact CE1-CE2 4.19Å; F176-Y181 AromaticContact CE2-CD2 3.9Å; F176-Y181 HydrophobicContact CE2-CD2 3.9Å; F176-Y181 AromaticContact CE2-CE2 3.37Å; F176-Y181 HydrophobicContact CE2-CE2 3.37Å; F176-Y181 AromaticContact CE2-CZ 3.88Å; F176-Y181 AromaticContact CZ-CD2 3.41Å; F176-Y181 HydrophobicContact CZ-CD2 3.41Å; F176-Y181 VanDerWaalsContact CZ-CD2 3.41Å; F176-Y181 AromaticContact CZ-CE2 3.43Å; F176-Y181 HydrophobicContact CZ-CE2 3.43Å; F176-Y181 VanDerWaalsContact CZ-CE2 3.43Å; F176-Y181 HydrophobicContact CZ-CG 4.2Å; F176-L197 HydrophobicContact CE1-CD2 4.36Å; F176-H200 HydrophobicContact CE2-CB 3.97Å; F176-H200 HydrophobicContact CZ-CB 3.79Å; F176-I201 HydrophobicContact CD1-CD1 4.43Å; F176-I201 HydrophobicContact CD1-CG1 3.85Å; F176-I201 HydrophobicContact CD2-CG1 4.3Å; F176-I201 HydrophobicContact CE1-CD1 4.18Å; F176-I201 HydrophobicContact CE1-CG1 3.61Å; F176-I201 HydrophobicContact CE2-CG1 4.08Å; F176-I201 HydrophobicContact CG-CG1 4.21Å; F176-I201 HydrophobicContact CZ-CG1 3.73Å; F176-H204 HydrophobicContact CD2-CB 4.49Å; F176-H204 AromaticContact CD2-CD2 3.59Å; F176-H204 AromaticContact CE2-CD2 3.52Å
177E88.5Confident77.6Confident25 Ų2570.6 Ų70.612%0.11737%0.366CS..EExtended strand (participates in β ladder)trans-91.6111.2178.7-65.1151.9-10500110.1K156 S179 K180 Y181K156-E177 HydrophobicContact CB-CG 4.48Å; K156-E177 WeakPolarHBondContact CE-OE1 3.15Å; K156-E177 WeakPolarHBondContact CE-OE2 3.49Å; K156-E177 HydrophobicContact CG-CG 3.56Å; K156-E177 VanDerWaalsContact CG-OE1 3.25Å; K156-E177 WeakPolarHBondContact CG-OE1 3.36Å; K156-E177 VanDerWaalsContact CG-OE2 3.28Å; K156-E177 WeakPolarHBondContact CG-OE2 3.39Å; K156-E177 IonicContact NZ-OE1 3.34Å; E177-S179 VanDerWaalsContact C-N 3.25Å; E177-S179 PolarHBondContact O-N 3.46Å; E177-K180 HydrophobicContact CB-CD 4.16Å; E177-K180 HydrophobicContact CB-CG 4.18Å; E177-K180 VanDerWaalsContact CD-CE 3.48Å; E177-K180 PolarHBondContact O-N 3.12Å; E177-K180 WeakPolarHBondContact OE1-CE 3.36Å; E177-K180 IonicContact OE1-NZ 3.27Å; E177-K180 PolarHBondContact OE1-NZ 3.37Å; E177-K180 WeakPolarHBondContact OE2-CE 3.5Å; E177-K180 IonicContact OE2-NZ 2.99Å; E177-K180 PolarHBondContact OE2-NZ 3.22Å; E177-K180 VanDerWaalsContact OE2-NZ 3.1Å; E177-Y181 WeakPolarHBondContact O-CD2 3.43Å
178A85.1Confident77Confident1 Ų169.3 Ų69.31%0.00836%0.355CS..G310 helixtrans-59.9-37.1178.600000112.2S152 K180 Y181 I182 L197S152-A178 VanDerWaalsContact O-CB 3.25Å; S152-A178 WeakPolarHBondContact O-CB 3.49Å; S152-A178 PolarHBondContact O-N 3.11Å; A178-K180 PolarHBondContact O-N 3.36Å; A178-K180 VanDerWaalsContact O-N 3.14Å; A178-Y181 PolarHBondContact O-N 3.15Å; A178-I182 WeakPolarHBondContact O-CG1 3.31Å; A178-L197 HydrophobicContact CB-CD1 3.91Å; A178-L197 HydrophobicContact CB-CD2 3.95Å
179S80.1Confident77.2Confident53 Ų5369.3 Ų69.337%0.37136%0.361SS..G310 helixtrans-56.9-28.8-178.350.30000114.6S154 E177 Y181 I182S154-S179 WeakPolarHBondContact O-CB 3.36Å; S154-S179 PolarHBondContact O-OG 2.98Å; E177-S179 VanDerWaalsContact C-N 3.25Å; E177-S179 PolarHBondContact O-N 3.46Å; S179-Y181 VanDerWaalsContact C-N 3.25Å; S179-Y181 PolarHBondContact O-N 2.98Å; S179-I182 PolarHBondContact O-N 2.55Å
180K83.9Confident77.5Confident123 Ų12370.1 Ų70.154%0.53537%0.367SS..G310 helixtrans-69.1-22.3177.7-75.4-178.4169.1162.80114.3E177 A178E177-K180 HydrophobicContact CB-CD 4.16Å; E177-K180 HydrophobicContact CB-CG 4.18Å; E177-K180 VanDerWaalsContact CD-CE 3.48Å; E177-K180 PolarHBondContact O-N 3.12Å; E177-K180 WeakPolarHBondContact OE1-CE 3.36Å; E177-K180 IonicContact OE1-NZ 3.27Å; E177-K180 PolarHBondContact OE1-NZ 3.37Å; E177-K180 WeakPolarHBondContact OE2-CE 3.5Å; E177-K180 IonicContact OE2-NZ 2.99Å; E177-K180 PolarHBondContact OE2-NZ 3.22Å; E177-K180 VanDerWaalsContact OE2-NZ 3.1Å; A178-K180 PolarHBondContact O-N 3.36Å; A178-K180 VanDerWaalsContact O-N 3.14Å
181Y80.5Confident78.3Confident80 Ų8071.7 Ų71.731%0.31437%0.374SS..G310 helixtrans-101.18-175.6-62.6-80.1000112.3F176 E177 A178 S179 H200 H204F176-Y181 HydrophobicContact CD2-CE2 4.09Å; F176-Y181 HydrophobicContact CE1-CD2 4Å; F176-Y181 HydrophobicContact CE1-CE2 4.19Å; F176-Y181 AromaticContact CE2-CD2 3.9Å; F176-Y181 HydrophobicContact CE2-CD2 3.9Å; F176-Y181 AromaticContact CE2-CE2 3.37Å; F176-Y181 HydrophobicContact CE2-CE2 3.37Å; F176-Y181 AromaticContact CE2-CZ 3.88Å; F176-Y181 AromaticContact CZ-CD2 3.41Å; F176-Y181 HydrophobicContact CZ-CD2 3.41Å; F176-Y181 VanDerWaalsContact CZ-CD2 3.41Å; F176-Y181 AromaticContact CZ-CE2 3.43Å; F176-Y181 HydrophobicContact CZ-CE2 3.43Å; F176-Y181 VanDerWaalsContact CZ-CE2 3.43Å; F176-Y181 HydrophobicContact CZ-CG 4.2Å; E177-Y181 WeakPolarHBondContact O-CD2 3.43Å; A178-Y181 PolarHBondContact O-N 3.15Å; S179-Y181 VanDerWaalsContact C-N 3.25Å; S179-Y181 PolarHBondContact O-N 2.98Å; Y181-H200 HydrophobicContact CD1-CB 4.13Å; Y181-H200 AromaticContact CD1-CD2 3.36Å; Y181-H200 WeakPolarHBondContact CD1-CD2 3.26Å; Y181-H200 AromaticContact CD1-CG 3.63Å; Y181-H200 AromaticContact CD1-NE2 3.7Å; Y181-H200 HydrophobicContact CE1-CB 4.25Å; Y181-H200 AromaticContact CE1-CD2 3.55Å; Y181-H200 HydrophobicContact CG-CB 4.4Å; Y181-H204 AromaticContact CZ-NE2 3.95Å; Y181-H204 PolarHBondContact OH-NE2 2.76Å
182I72.4Confident78.9Confident34 Ų3467.3 Ų67.317%0.17435%0.351CS..  trans-103.7107178.5-47.4175.8000108.2A178 S179 P185 Y193A178-I182 WeakPolarHBondContact O-CG1 3.31Å; S179-I182 PolarHBondContact O-N 2.55Å; I182-P185 HydrophobicContact CG2-CB 4.07Å; I182-Y193 HydrophobicContact CD1-CE2 3.49Å; I182-Y193 VanDerWaalsContact CD1-CE2 3.49Å; I182-Y193 HydrophobicContact CG1-CE2 3.76Å
183S64.9Low79.4Confident93 Ų9364.8 Ų64.865%0.6534%0.34SS*.SBendtrans-88.8-22176.842.10000113.6
184N67.1Low79.8Confident96 Ų9664.8 Ų64.851%0.51334%0.339SS..  trans-164.7100174.5-114-12.7000111.2E186 T187 Y188N184-E186 VanDerWaalsContact C-N 3.26Å; N184-E186 PolarHBondContact O-N 2.84Å; N184-T187 PolarHBondContact O-OG1 2.8Å; N184-Y188 WeakPolarHBondContact O-CD2 3.35Å; N184-Y188 WeakPolarHBondContact O-CE2 3.4Å
185P63.8Low80Confident52 Ų5265 Ų6534%0.33834%0.341SS..G310 helixtrans-64.5-27.3-174.223.9-31.8000113.8I182 T187I182-P185 HydrophobicContact CG2-CB 4.07Å; P185-T187 VanDerWaalsContact C-N 3.3Å; P185-T187 PolarHBondContact O-N 2.8Å
186E65Low80.1Confident187 Ų18765.8 Ų65.887%0.87435%0.345SS*.G310 helixtrans-71.8-18-174.1-61.6-175.8173.500114.4N184N184-E186 VanDerWaalsContact C-N 3.26Å; N184-E186 PolarHBondContact O-N 2.84Å
187T64.7Low80.2Confident101 Ų10165.7 Ų65.762%0.6235%0.345SS*.G310 helixtrans-100.5-6.2-176.3550000114.2N184 P185N184-T187 PolarHBondContact O-OG1 2.8Å; P185-T187 VanDerWaalsContact C-N 3.3Å; P185-T187 PolarHBondContact O-N 2.8Å
188Y70.9Confident80.4Confident58 Ų5864.5 Ų64.523%0.22734%0.339CS..  trans-94.2130.5-177.5-69.6-77.2000111.8N184 L192 N196N184-Y188 WeakPolarHBondContact O-CD2 3.35Å; N184-Y188 WeakPolarHBondContact O-CE2 3.4Å; Y188-L192 HydrophobicContact CD1-CB 4.2Å; Y188-L192 HydrophobicContact CD1-CD2 3.62Å; Y188-L192 HydrophobicContact CD1-CG 3.77Å; Y188-L192 HydrophobicContact CE1-CD2 3.98Å; Y188-L192 HydrophobicContact CE1-CG 4.19Å; Y188-N196 VanDerWaalsContact CE1-ND2 3.27Å; Y188-N196 WeakPolarHBondContact CE1-ND2 3.33Å
189T84.6Confident80.6Confident89 Ų8969.7 Ų69.755%0.54636%0.362SS..  trans-65.5150.6155.262.20000108.7E191 L192 Y193T189-E191 PolarHBondContact O-N 2.88Å; T189-L192 PolarHBondContact O-N 3.17Å; T189-L192 VanDerWaalsContact O-N 3.09Å; T189-L192 WeakPolarHBondContact OG1-CB 3.2Å; T189-L192 PolarHBondContact OG1-N 3.4Å; T189-Y193 PolarHBondContact O-N 2.94Å
190V86.5Confident81.1Confident22 Ų2269.7 Ų69.713%0.13336%0.356CS..Hα-helixtrans-54-38.9178.2177.80000111.2F20 F23 L28 M31 Y193 I194F20-V190 HydrophobicContact CB-CG2 4.41Å; F20-V190 HydrophobicContact CD1-CG2 3.46Å; F20-V190 VanDerWaalsContact CD1-CG2 3.46Å; F20-V190 HydrophobicContact CD2-CG2 4.44Å; F20-V190 HydrophobicContact CE1-CG2 3.71Å; F20-V190 HydrophobicContact CG-CG2 3.85Å; F20-V190 HydrophobicContact CZ-CG2 4.31Å; F23-V190 HydrophobicContact CD2-CG2 4.12Å; F23-V190 HydrophobicContact CE2-CB 4.46Å; F23-V190 HydrophobicContact CE2-CG1 4.44Å; F23-V190 HydrophobicContact CE2-CG2 3.7Å; F23-V190 HydrophobicContact CZ-CG2 4.4Å; L28-V190 HydrophobicContact CD2-CG1 3.73Å; M31-V190 HydrophobicContact CE-CG1 3.82Å; M31-V190 HydrophobicContact SD-CG1 4.29Å; V190-Y193 WeakPolarHBondContact O-CB 3.33Å; V190-Y193 PolarHBondContact O-N 2.83Å; V190-I194 HydrophobicContact CG1-CG1 4.27Å; V190-I194 WeakPolarHBondContact O-CB 3.36Å; V190-I194 WeakPolarHBondContact O-CG1 3.33Å; V190-I194 PolarHBondContact O-N 2.76Å
191E87.5Confident81.4Confident153 Ų15363.9 Ų63.972%0.71533%0.331SS*.Hα-helixtrans-62.8-45.8178.2-64178.4174.900112.5T189 Y193 I194 D195T189-E191 PolarHBondContact O-N 2.88Å; E191-Y193 VanDerWaalsContact C-N 3.35Å; E191-I194 PolarHBondContact O-N 2.78Å; E191-D195 WeakPolarHBondContact O-CB 3.41Å; E191-D195 PolarHBondContact O-N 2.87Å
192L86.9Confident81.7Confident79 Ų7960.7 Ų60.741%0.41432%0.319SS..Hα-helixtrans-68.5-37.2179.3-171.365.6000111.4Y188 T189 N196Y188-L192 HydrophobicContact CD1-CB 4.2Å; Y188-L192 HydrophobicContact CD1-CD2 3.62Å; Y188-L192 HydrophobicContact CD1-CG 3.77Å; Y188-L192 HydrophobicContact CE1-CD2 3.98Å; Y188-L192 HydrophobicContact CE1-CG 4.19Å; T189-L192 PolarHBondContact O-N 3.17Å; T189-L192 VanDerWaalsContact O-N 3.09Å; T189-L192 WeakPolarHBondContact OG1-CB 3.2Å; T189-L192 PolarHBondContact OG1-N 3.4Å; L192-N196 VanDerWaalsContact O-CB 3.32Å; L192-N196 WeakPolarHBondContact O-CB 3.41Å; L192-N196 VanDerWaalsContact O-CG 3.29Å; L192-N196 PolarHBondContact O-N 2.69Å; L192-N196 PolarHBondContact O-ND2 2.9Å
193Y88.4Confident82.3Confident9 Ų963.1 Ų63.14%0.03533%0.329CS..Hα-helixtrans-57.8-51.1172.6171.7-104000111.5F20 I182 T189 V190 E191 N196 L197F20-Y193 HydrophobicContact CD2-CD1 4.41Å; F20-Y193 HydrophobicContact CD2-CE1 4.49Å; F20-Y193 AromaticContact CE2-CD1 3.6Å; F20-Y193 HydrophobicContact CE2-CD1 3.6Å; F20-Y193 HydrophobicContact CE2-CD2 4.13Å; F20-Y193 AromaticContact CE2-CE1 3.91Å; F20-Y193 HydrophobicContact CE2-CE1 3.91Å; F20-Y193 HydrophobicContact CE2-CE2 4.4Å; F20-Y193 AromaticContact CE2-CG 3.71Å; F20-Y193 HydrophobicContact CE2-CG 3.71Å; F20-Y193 HydrophobicContact CZ-CD1 4.31Å; F20-Y193 HydrophobicContact CZ-CD2 4.44Å; F20-Y193 HydrophobicContact CZ-CG 4.02Å; I182-Y193 HydrophobicContact CD1-CE2 3.49Å; I182-Y193 VanDerWaalsContact CD1-CE2 3.49Å; I182-Y193 HydrophobicContact CG1-CE2 3.76Å; T189-Y193 PolarHBondContact O-N 2.94Å; V190-Y193 WeakPolarHBondContact O-CB 3.33Å; V190-Y193 PolarHBondContact O-N 2.83Å; E191-Y193 VanDerWaalsContact C-N 3.35Å; Y193-N196 PolarHBondContact O-N 2.92Å; Y193-L197 HydrophobicContact CD1-CD1 4.21Å; Y193-L197 HydrophobicContact CD2-CD1 4.4Å; Y193-L197 HydrophobicContact CE1-CD1 3.56Å; Y193-L197 HydrophobicContact CE2-CD1 3.77Å; Y193-L197 HydrophobicContact CE2-CG 4.28Å; Y193-L197 WeakPolarHBondContact O-CG 3.37Å; Y193-L197 PolarHBondContact O-N 2.84Å; Y193-L197 WeakPolarHBondContact OH-CD1 3.4Å
194I91.6Very high83.2Confident8 Ų861.1 Ų61.14%0.04131%0.31CS..Hα-helixtrans-64.4-43.2-180-69-66.8000111.6M31 L32 V190 E191 L197 A198M31-I194 HydrophobicContact CB-CD1 4.24Å; M31-I194 HydrophobicContact CB-CG1 4.27Å; M31-I194 HydrophobicContact CB-CG2 4.46Å; L32-I194 HydrophobicContact CB-CD1 3.89Å; L32-I194 HydrophobicContact CD1-CD1 4.28Å; L32-I194 HydrophobicContact CD1-CG2 4.19Å; V190-I194 HydrophobicContact CG1-CG1 4.27Å; V190-I194 WeakPolarHBondContact O-CB 3.36Å; V190-I194 WeakPolarHBondContact O-CG1 3.33Å; V190-I194 PolarHBondContact O-N 2.76Å; E191-I194 PolarHBondContact O-N 2.78Å; I194-L197 PolarHBondContact O-N 3.29Å; I194-A198 VanDerWaalsContact O-CB 3.3Å; I194-A198 WeakPolarHBondContact O-CB 3.37Å; I194-A198 PolarHBondContact O-N 2.86Å
195D90.1Very high83.7Confident66 Ų6656.6 Ų56.635%0.35329%0.286SS..Hα-helixtrans-65.5-40.8180-165.163.2000112.5K39 E191 A198 K199K39-D195 WeakPolarHBondContact CE-OD1 3.41Å; K39-D195 VanDerWaalsContact NZ-CG 3.32Å; K39-D195 IonicContact NZ-OD1 2.72Å; K39-D195 PolarHBondContact NZ-OD1 3.21Å; K39-D195 IonicContact NZ-OD2 2.96Å; K39-D195 PolarHBondContact NZ-OD2 3.48Å; E191-D195 WeakPolarHBondContact O-CB 3.41Å; E191-D195 PolarHBondContact O-N 2.87Å; D195-A198 PolarHBondContact O-N 2.82Å; D195-K199 PolarHBondContact O-N 2.93Å
196N89.8Confident84.2Confident47 Ų4758.3 Ų58.325%0.25129%0.289SS..Hα-helixtrans-63.7-46.2175.8-79.5-26.4000112Y188 L192 Y193 K199 H200Y188-N196 VanDerWaalsContact CE1-ND2 3.27Å; Y188-N196 WeakPolarHBondContact CE1-ND2 3.33Å; L192-N196 VanDerWaalsContact O-CB 3.32Å; L192-N196 WeakPolarHBondContact O-CB 3.41Å; L192-N196 VanDerWaalsContact O-CG 3.29Å; L192-N196 PolarHBondContact O-N 2.69Å; L192-N196 PolarHBondContact O-ND2 2.9Å; Y193-N196 PolarHBondContact O-N 2.92Å; N196-K199 PolarHBondContact O-N 3.06Å; N196-H200 PolarHBondContact O-N 3.34Å; N196-H200 PolarHBondContact O-ND1 3.33Å
197L91.8Very high83.9Confident3 Ų355.6 Ų55.62%0.01628%0.28CS..Hα-helixtrans-62.6-44.3175.7-73.5-178.5000111.4L32 F176 A178 Y193 I194 K199 H200 I201L32-L197 HydrophobicContact CD1-CB 3.67Å; L32-L197 HydrophobicContact CD1-CD1 4.5Å; F176-L197 HydrophobicContact CE1-CD2 4.36Å; A178-L197 HydrophobicContact CB-CD1 3.91Å; A178-L197 HydrophobicContact CB-CD2 3.95Å; Y193-L197 HydrophobicContact CD1-CD1 4.21Å; Y193-L197 HydrophobicContact CD2-CD1 4.4Å; Y193-L197 HydrophobicContact CE1-CD1 3.56Å; Y193-L197 HydrophobicContact CE2-CD1 3.77Å; Y193-L197 HydrophobicContact CE2-CG 4.28Å; Y193-L197 WeakPolarHBondContact O-CG 3.37Å; Y193-L197 PolarHBondContact O-N 2.84Å; Y193-L197 WeakPolarHBondContact OH-CD1 3.4Å; I194-L197 PolarHBondContact O-N 3.29Å; L197-K199 VanDerWaalsContact C-N 3.27Å; L197-K199 PolarHBondContact O-N 3.13Å; L197-H200 PolarHBondContact O-N 3.2Å; L197-I201 VanDerWaalsContact O-CG1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.44Å; L197-I201 PolarHBondContact O-N 3.25Å
198A92.3Very high83.5Confident0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-58-40.7177.600000111.6L32 S35 V36 K39 I194 D195 I201 I202L32-A198 HydrophobicContact CD1-CB 4.25Å; S35-A198 VanDerWaalsContact OG-CB 3.24Å; S35-A198 WeakPolarHBondContact OG-CB 3.25Å; V36-A198 HydrophobicContact CG2-CB 3.87Å; K39-A198 HydrophobicContact CD-CB 3.99Å; I194-A198 VanDerWaalsContact O-CB 3.3Å; I194-A198 WeakPolarHBondContact O-CB 3.37Å; I194-A198 PolarHBondContact O-N 2.86Å; D195-A198 PolarHBondContact O-N 2.82Å; A198-I201 PolarHBondContact O-N 2.78Å; A198-I202 WeakPolarHBondContact O-CG1 3.25Å; A198-I202 PolarHBondContact O-N 2.85Å
199K89.9Confident83Confident111 Ų11155.1 Ų55.148%0.48328%0.276SS..Hα-helixtrans-58.4-49.9175.3-176.1-176.7173.4-173.70112.2D195 N196 L197 I201 I202 E203D195-K199 PolarHBondContact O-N 2.93Å; N196-K199 PolarHBondContact O-N 3.06Å; L197-K199 VanDerWaalsContact C-N 3.27Å; L197-K199 PolarHBondContact O-N 3.13Å; K199-I201 VanDerWaalsContact C-N 3.34Å; K199-I201 PolarHBondContact O-N 3.47Å; K199-I202 PolarHBondContact O-N 2.69Å; K199-E203 VanDerWaalsContact CE-OE1 3.24Å; K199-E203 WeakPolarHBondContact CE-OE1 3.47Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.24Å; K199-E203 VanDerWaalsContact O-N 3.1Å
200H90Very high81.8Confident52 Ų5254 Ų5424%0.24127%0.269CS..Hα-helixtrans-66.2-35.7179.9-67.595.5000112.6F176 Y181 N196 L197 I202 E203 H204F176-H200 HydrophobicContact CE2-CB 3.97Å; F176-H200 HydrophobicContact CZ-CB 3.79Å; Y181-H200 HydrophobicContact CD1-CB 4.13Å; Y181-H200 AromaticContact CD1-CD2 3.36Å; Y181-H200 WeakPolarHBondContact CD1-CD2 3.26Å; Y181-H200 AromaticContact CD1-CG 3.63Å; Y181-H200 AromaticContact CD1-NE2 3.7Å; Y181-H200 HydrophobicContact CE1-CB 4.25Å; Y181-H200 AromaticContact CE1-CD2 3.55Å; Y181-H200 HydrophobicContact CG-CB 4.4Å; N196-H200 PolarHBondContact O-N 3.34Å; N196-H200 PolarHBondContact O-ND1 3.33Å; L197-H200 PolarHBondContact O-N 3.2Å; H200-I202 VanDerWaalsContact C-N 3.32Å; H200-I202 PolarHBondContact O-N 3.43Å; H200-E203 IonicContact CD2-OE2 2.7Å; H200-E203 PolarHBondContact O-N 3.39Å; H200-H204 PolarHBondContact O-CD2 3.21Å; H200-H204 PolarHBondContact O-N 3.1Å
201I90.1Very high80.7Confident1 Ų155 Ų551%0.00527%0.273CS..Hα-helixtrans-61.5-42.9174.7-69162.9000110.3L32 V36 I151 F176 L197 A198 K199 H204 C205L32-I201 HydrophobicContact CD1-CD1 4.03Å; L32-I201 HydrophobicContact CD2-CD1 3.89Å; L32-I201 HydrophobicContact CG-CD1 4.08Å; V36-I201 HydrophobicContact CG1-CG2 4.2Å; V36-I201 HydrophobicContact CG2-CB 4.2Å; V36-I201 HydrophobicContact CG2-CD1 3.95Å; V36-I201 HydrophobicContact CG2-CG2 3.98Å; I151-I201 HydrophobicContact CD1-CD1 4.25Å; I151-I201 HydrophobicContact CD1-CG2 3.83Å; I151-I201 HydrophobicContact CG1-CD1 4.45Å; I151-I201 HydrophobicContact CG1-CG2 4.44Å; I151-I201 HydrophobicContact CG2-CD1 3.65Å; I151-I201 HydrophobicContact CG2-CG1 4.37Å; F176-I201 HydrophobicContact CD1-CD1 4.43Å; F176-I201 HydrophobicContact CD1-CG1 3.85Å; F176-I201 HydrophobicContact CD2-CG1 4.3Å; F176-I201 HydrophobicContact CE1-CD1 4.18Å; F176-I201 HydrophobicContact CE1-CG1 3.61Å; F176-I201 HydrophobicContact CE2-CG1 4.08Å; F176-I201 HydrophobicContact CG-CG1 4.21Å; F176-I201 HydrophobicContact CZ-CG1 3.73Å; L197-I201 VanDerWaalsContact O-CG1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.44Å; L197-I201 PolarHBondContact O-N 3.25Å; A198-I201 PolarHBondContact O-N 2.78Å; K199-I201 VanDerWaalsContact C-N 3.34Å; K199-I201 PolarHBondContact O-N 3.47Å; I201-H204 PolarHBondContact O-N 3.33Å; I201-C205 PolarHBondContact O-N 3.26Å; I201-C205 PolarHBondContact O-SG 2.99Å
202I88Confident79.8Confident13 Ų1347.8 Ų47.87%0.06724%0.24CC..Hα-helixtrans-64.9-43.9178.9-63.8-72.1000111.5V36 K39 L40 L43 A198 K199 H200 H204 C205 Q206V36-I202 HydrophobicContact CG1-CD1 4.08Å; K39-I202 HydrophobicContact CB-CD1 3.83Å; K39-I202 HydrophobicContact CB-CG1 3.68Å; K39-I202 HydrophobicContact CD-CG1 4.22Å; L40-I202 HydrophobicContact CB-CD1 4.3Å; L40-I202 HydrophobicContact CD2-CD1 3.45Å; L40-I202 VanDerWaalsContact CD2-CD1 3.45Å; L40-I202 HydrophobicContact CG-CD1 3.45Å; L40-I202 VanDerWaalsContact CG-CD1 3.45Å; L43-I202 HydrophobicContact CD2-CG2 4.13Å; A198-I202 WeakPolarHBondContact O-CG1 3.25Å; A198-I202 PolarHBondContact O-N 2.85Å; K199-I202 PolarHBondContact O-N 2.69Å; H200-I202 VanDerWaalsContact C-N 3.32Å; H200-I202 PolarHBondContact O-N 3.43Å; I202-H204 VanDerWaalsContact C-N 3.28Å; I202-H204 PolarHBondContact O-N 2.88Å; I202-C205 WeakPolarHBondContact O-CB 3.43Å; I202-C205 PolarHBondContact O-N 2.97Å; I202-C205 VanDerWaalsContact O-N 3.11Å; I202-Q206 WeakPolarHBondContact O-CG 2.97Å; I202-Q206 PolarHBondContact O-N 3.33Å
203E85.2Confident79.3Confident85 Ų8547.6 Ų47.640%0.39724%0.239SC..Hα-helixtrans-56.7-44.2175.1-70.6170.5-174.600110.7K199 H200 Q206 L207K199-E203 VanDerWaalsContact CE-OE1 3.24Å; K199-E203 WeakPolarHBondContact CE-OE1 3.47Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.24Å; K199-E203 VanDerWaalsContact O-N 3.1Å; H200-E203 IonicContact CD2-OE2 2.7Å; H200-E203 PolarHBondContact O-N 3.39Å; E203-Q206 PolarHBondContact O-N 3.21Å; E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 3.11Å
204H82.4Confident79.3Confident51 Ų5147.1 Ų47.124%0.23624%0.237CC..Hα-helixtrans-64.5-39.9173.8-90.1-81.1000113.8F176 Y181 H200 I201 I202 Q206 L207F176-H204 HydrophobicContact CD2-CB 4.49Å; F176-H204 AromaticContact CD2-CD2 3.59Å; F176-H204 AromaticContact CE2-CD2 3.52Å; Y181-H204 AromaticContact CZ-NE2 3.95Å; Y181-H204 PolarHBondContact OH-NE2 2.76Å; H200-H204 PolarHBondContact O-CD2 3.21Å; H200-H204 PolarHBondContact O-N 3.1Å; I201-H204 PolarHBondContact O-N 3.33Å; I202-H204 VanDerWaalsContact C-N 3.28Å; I202-H204 PolarHBondContact O-N 2.88Å; H204-Q206 PolarHBondContact O-N 3.43Å; H204-L207 PolarHBondContact O-N 3.44Å
205C79Confident79.3Confident1 Ų148.6 Ų48.61%0.00725%0.245CC..Hα-helixtrans-62.1-34.1176.9-67.10000111.4L117 I201 I202 Q209L117-C205 VanDerWaalsContact CD2-SG 3.59Å; I201-C205 PolarHBondContact O-N 3.26Å; I201-C205 PolarHBondContact O-SG 2.99Å; I202-C205 WeakPolarHBondContact O-CB 3.43Å; I202-C205 PolarHBondContact O-N 2.97Å; I202-C205 VanDerWaalsContact O-N 3.11Å; C205-Q209 VanDerWaalsContact O-CD 3.28Å; C205-Q209 VanDerWaalsContact O-CG 3.29Å; C205-Q209 WeakPolarHBondContact O-CG 3.46Å; C205-Q209 PolarHBondContact O-NE2 3.43Å
206Q72.5Confident79.5Confident89 Ų8945.5 Ų45.542%0.41623%0.228SC..Hα-helixtrans-77.8-28.6-179.7-72.3178.7-15.700114.4I202 E203 H204 N208 Q209I202-Q206 WeakPolarHBondContact O-CG 2.97Å; I202-Q206 PolarHBondContact O-N 3.33Å; E203-Q206 PolarHBondContact O-N 3.21Å; H204-Q206 PolarHBondContact O-N 3.43Å; Q206-N208 PolarHBondContact O-N 3.45Å; Q206-Q209 PolarHBondContact O-N 3.25Å
207L60.1Low79.7Confident130 Ų13044.7 Ų44.768%0.68122%0.224SC*.THydrogen-bonded Turntrans-53.8-25.6-174.4-79.9169.3000114.2E203 H204E203-L207 WeakPolarHBondContact O-CG 3.49Å; E203-L207 PolarHBondContact O-N 3.11Å; H204-L207 PolarHBondContact O-N 3.44Å
208N56.3Low79.9Confident101 Ų10146 Ų4654%0.5423%0.233SC..THydrogen-bonded Turntrans-1096.7179.5-67.1-27.6000114Q206 V210Q206-N208 PolarHBondContact O-N 3.45Å; N208-V210 PolarHBondContact O-N 3.22Å
209Q59.7Low79.8Confident47 Ų4749.1 Ų49.122%0.2227%0.265CS..  trans-98.390.5-175.3-69.2178.818.300111M1 H3 C205 Q206M1-Q209 HydrophobicContact CE-CG 4.3Å; M1-Q209 HydrophobicContact SD-CG 3.79Å; M1-Q209 PolarHBondContact SD-NE2 3.11Å; H3-Q209 PolarHBondContact NE2-NE2 2.88Å; C205-Q209 VanDerWaalsContact O-CD 3.28Å; C205-Q209 VanDerWaalsContact O-CG 3.29Å; C205-Q209 WeakPolarHBondContact O-CG 3.46Å; C205-Q209 PolarHBondContact O-NE2 3.43Å; Q206-Q209 PolarHBondContact O-N 3.25Å
210V59Low79.9Confident66 Ų6654.9 Ų54.940%0.428%0.284SS..  trans-95.6101.6162.1-175.80000107.7N208 P212 A243N208-V210 PolarHBondContact O-N 3.22Å; V210-P212 WeakPolarHBondContact O-CD 3.38Å; V210-A243 HydrophobicContact CG2-CB 4.08Å
211I64Low79.9Confident42 Ų4257 Ų5722%0.21530%0.297CS..  trans-71.4115.8167.3-60.4174.1000106.2N45 N213 V226N45-I211 HydrophobicContact CB-CD1 3.56Å; I211-N213 PolarHBondContact O-N 3.33Å; I211-V226 HydrophobicContact CG2-CG1 3.9Å
212P69.4Low80Confident2 Ų262.3 Ų62.31%0.01332%0.321CS..  trans-62.9129.7179.526.3-31.6000108.6V210 V214 S230 P231 L242 L247V210-P212 WeakPolarHBondContact O-CD 3.38Å; P212-V214 WeakPolarHBondContact O-CG2 3.5Å; P212-V214 PolarHBondContact O-N 3.02Å; P212-S230 WeakPolarHBondContact CD-OG 3.24Å; P212-P231 HydrophobicContact CG-CG 4.13Å; P212-L242 HydrophobicContact CB-CD2 4.18Å; P212-L242 HydrophobicContact CG-CD2 4.44Å; P212-L247 HydrophobicContact CB-CD1 4.18Å; P212-L247 HydrophobicContact CB-CG 4.16Å; P212-L247 HydrophobicContact CG-CD1 3.95Å; P212-L247 HydrophobicContact CG-CG 4.47Å
213N76.8Confident80.1Confident75 Ų7562 Ų6240%0.40132%0.32SS..  trans-63.3126167.5-70.4-27.3000107.6I211 M224 S246 L247 R274I211-N213 PolarHBondContact O-N 3.33Å; N213-M224 HydrophobicContact CB-CE 4.26Å; N213-S246 WeakPolarHBondContact O-CA 3.45Å; N213-S246 VanDerWaalsContact O-CB 3.25Å; N213-S246 WeakPolarHBondContact O-CB 3.49Å; N213-L247 PolarHBondContact O-N 3.48Å; N213-R274 PolarHBondContact OD1-NH1 3.49Å
214V87.6Confident80.3Confident0 Ų061 Ų610%032%0.316CS..EExtended strand (participates in β ladder)trans-109.1128.3179.7-1740000109.1P212 I216 A225 L227 L247 V249P212-V214 WeakPolarHBondContact O-CG2 3.5Å; P212-V214 PolarHBondContact O-N 3.02Å; V214-I216 HydrophobicContact CG1-CG1 4.24Å; V214-A225 HydrophobicContact CB-CB 4.31Å; V214-A225 WeakPolarHBondContact CB-O 3.4Å; V214-A225 PolarHBondContact N-O 2.92Å; V214-A225 PolarHBondContact O-N 3.28Å; V214-L227 HydrophobicContact CB-CG 4.39Å; V214-L227 HydrophobicContact CG1-CD1 4.32Å; V214-L227 HydrophobicContact CG1-CG 4.32Å; V214-L227 HydrophobicContact CG2-CD1 3.86Å; V214-L227 HydrophobicContact CG2-CG 3.75Å; V214-L247 CarbonylContact C-O 3.49Å; V214-L247 WeakPolarHBondContact CA-O 3.37Å; V214-L247 HydrophobicContact CG1-CB 4.27Å; V214-L247 HydrophobicContact CG2-CB 4.02Å; V214-L247 HydrophobicContact CG2-CD1 4.18Å; V214-V249 HydrophobicContact CG1-CG2 3.92Å
215I90.7Very high80.7Confident39 Ų3958.5 Ų58.520%0.231%0.305CS..EExtended strand (participates in β ladder)trans-107.8125.1174.2-54.1-174.4000106.9N217 Q222 M224 L247 C248 V249I215-N217 WeakPolarHBondContact CG2-OD1 3.46Å; I215-Q222 HydrophobicContact CG2-CG 3.56Å; I215-Q222 VanDerWaalsContact CG2-NE2 3.3Å; I215-M224 HydrophobicContact CD1-SD 4.25Å; I215-M224 HydrophobicContact CG1-CE 4.2Å; I215-M224 HydrophobicContact CG1-SD 3.73Å; I215-L247 PolarHBondContact N-O 3.03Å; I215-C248 CarbonylContact O-C 3.53Å; I215-C248 WeakPolarHBondContact O-CA 3.31Å; I215-V249 PolarHBondContact O-N 3.07Å
216I94.3Very high80.9Confident0 Ų058.6 Ų58.60%031%0.305CS..EExtended strand (participates in β ladder)trans-108.4122.6175.4-59.8-178.4000108V214 Q222 S223 A225 V249 I251 V271 L282 L283 L353V214-I216 HydrophobicContact CG1-CG1 4.24Å; I216-Q222 CarbonylContact O-C 3.55Å; I216-Q222 WeakPolarHBondContact O-CA 3.35Å; I216-S223 PolarHBondContact N-O 3.21Å; I216-S223 PolarHBondContact O-N 3.35Å; I216-A225 HydrophobicContact CD1-CB 3.71Å; I216-A225 HydrophobicContact CG1-CB 4.12Å; I216-V249 CarbonylContact C-O 3.51Å; I216-V249 WeakPolarHBondContact CA-O 3.47Å; I216-V249 HydrophobicContact CG1-CB 4.13Å; I216-V249 HydrophobicContact CG1-CG2 4.48Å; I216-I251 HydrophobicContact CG2-CD1 4.3Å; I216-V271 HydrophobicContact CD1-CG1 3.36Å; I216-L282 HydrophobicContact CG2-CD2 4.32Å; I216-L282 WeakPolarHBondContact O-CD2 3.38Å; I216-L283 HydrophobicContact CB-CD2 4.07Å; I216-L283 HydrophobicContact CD1-CD2 3.56Å; I216-L283 HydrophobicContact CG1-CD2 4.31Å; I216-L283 HydrophobicContact CG2-CD2 4.13Å; I216-L353 HydrophobicContact CG2-CD1 4.13Å
217N94.4Very high81.5Confident31 Ų3154.5 Ų54.517%0.16629%0.286CS..EExtended strand (participates in β ladder)trans-115.3139-178.4-68.5-22.9000110.9I215 L221 Q222 C248 V249 I251I215-N217 WeakPolarHBondContact CG2-OD1 3.46Å; N217-L221 CarbonylContact C-O 3.37Å; N217-L221 WeakPolarHBondContact CA-O 3.33Å; N217-Q222 WeakPolarHBondContact OD1-CB 3.23Å; N217-Q222 VanDerWaalsContact OD1-CG 3.25Å; N217-Q222 WeakPolarHBondContact OD1-CG 3.29Å; N217-C248 PolarHBondContact ND2-SG 3.43Å; N217-V249 PolarHBondContact N-O 3.4Å; N217-I251 WeakPolarHBondContact O-CB 3.2Å; N217-I251 PolarHBondContact O-N 2.7Å
218C95.5Very high82.5Confident29 Ų2949.8 Ų49.820%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-13390.6168.5-172.60000108.1R220 L221 I251 L282C218-R220 PolarHBondContact O-N 2.78Å; C218-R220 VanDerWaalsContact O-N 3.13Å; C218-L221 HydrophobicContact CB-CB 4.45Å; C218-L221 PolarHBondContact N-O 3.15Å; C218-L221 PolarHBondContact O-N 3.41Å; C218-I251 HydrophobicContact CB-CB 4.31Å; C218-I251 HydrophobicContact CB-CD1 4.13Å; C218-L282 HydrophobicContact CB-CD1 3.87Å; C218-L282 HydrophobicContact CB-CD2 3.96Å
219G91.6Very high83.6Confident67 Ų6745 Ų4569%0.69124%0.236SC*.THydrogen-bonded Turntrans60.7-113.7-169.100000111.2
220R90.8Very high84.4Confident231 Ų23143.3 Ų43.387%0.87223%0.229SC*.THydrogen-bonded Turntrans-92.4-6.8177.9-62.3-174.5-175176.61.4114.1C218C218-R220 PolarHBondContact O-N 2.78Å; C218-R220 VanDerWaalsContact O-N 3.13Å
221L91.5Very high85.1Confident97 Ų9740.3 Ų40.351%0.50821%0.211SC..EExtended strand (participates in β ladder)trans-83.5137.4175.9-57.4175.7000108.8N217 C218 L282N217-L221 CarbonylContact C-O 3.37Å; N217-L221 WeakPolarHBondContact CA-O 3.33Å; C218-L221 HydrophobicContact CB-CB 4.45Å; C218-L221 PolarHBondContact N-O 3.15Å; C218-L221 PolarHBondContact O-N 3.41Å; L221-L282 HydrophobicContact CB-CB 4.45Å; L221-L282 HydrophobicContact CB-CD1 3.84Å; L221-L282 HydrophobicContact CB-CD2 4.11Å; L221-L282 HydrophobicContact CB-CG 4.35Å; L221-L282 HydrophobicContact CD1-CD1 3.98Å
222Q91Very high85.1Confident112 Ų11238.3 Ų38.352%0.52320%0.201SC..EExtended strand (participates in β ladder)trans-138.5144.2-178.3176.3174.1-21.800110.1I215 I216 N217I215-Q222 HydrophobicContact CG2-CG 3.56Å; I215-Q222 VanDerWaalsContact CG2-NE2 3.3Å; I216-Q222 CarbonylContact O-C 3.55Å; I216-Q222 WeakPolarHBondContact O-CA 3.35Å; N217-Q222 WeakPolarHBondContact OD1-CB 3.23Å; N217-Q222 VanDerWaalsContact OD1-CG 3.25Å; N217-Q222 WeakPolarHBondContact OD1-CG 3.29Å
223S91.5Very high84.4Confident6 Ų639.7 Ų39.74%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-142.1154.9164.8-179.40000111.9I216 D281I216-S223 PolarHBondContact N-O 3.21Å; I216-S223 PolarHBondContact O-N 3.35Å; S223-D281 PolarHBondContact OG-OD2 3.15Å
224M89.1Confident83.4Confident64 Ų6438.2 Ų38.232%0.31520%0.2SC..EExtended strand (participates in β ladder)trans-91.5128.5173.8-62.2-62-68.500109.7N213 I215 R274N213-M224 HydrophobicContact CB-CE 4.26Å; I215-M224 HydrophobicContact CD1-SD 4.25Å; I215-M224 HydrophobicContact CG1-CE 4.2Å; I215-M224 HydrophobicContact CG1-SD 3.73Å; M224-R274 HydrophobicContact CB-CB 4.41Å; M224-R274 PolarHBondContact O-N 3.36Å; M224-R274 VanDerWaalsContact O-N 3.11Å
225A89.2Confident81.8Confident0 Ų039.2 Ų39.20%021%0.207CC..EExtended strand (participates in β ladder)trans-126.6161.1-177.700000112.6V214 I216 V271 V272 L283V214-A225 HydrophobicContact CB-CB 4.31Å; V214-A225 WeakPolarHBondContact CB-O 3.4Å; V214-A225 PolarHBondContact N-O 2.92Å; V214-A225 PolarHBondContact O-N 3.28Å; I216-A225 HydrophobicContact CD1-CB 3.71Å; I216-A225 HydrophobicContact CG1-CB 4.12Å; A225-V271 HydrophobicContact CB-CG1 3.85Å; A225-V272 CarbonylContact C-O 3.59Å; A225-V272 VanDerWaalsContact CA-O 3.26Å; A225-V272 WeakPolarHBondContact CA-O 3.41Å; A225-L283 HydrophobicContact CB-CD1 3.91Å
226V85Confident80Confident2 Ų237.5 Ų37.51%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-114.2139.4161.1-177.50000108.6I211 L228 V272 R274I211-V226 HydrophobicContact CG2-CG1 3.9Å; V226-L228 HydrophobicContact CG1-CD2 3.84Å; V226-L228 HydrophobicContact CG1-CG 4.25Å; V226-V272 PolarHBondContact N-O 3.49Å; V226-V272 PolarHBondContact O-N 2.84Å; V226-R274 HydrophobicContact CG2-CG 3.69Å
227L85.3Confident77.9Confident3 Ų337.9 Ų37.92%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-98127.5171.1-64.3-178.3000109.7V214 P229 S230 P231 L247 F269 T270 V271 L365V214-L227 HydrophobicContact CB-CG 4.39Å; V214-L227 HydrophobicContact CG1-CD1 4.32Å; V214-L227 HydrophobicContact CG1-CG 4.32Å; V214-L227 HydrophobicContact CG2-CD1 3.86Å; V214-L227 HydrophobicContact CG2-CG 3.75Å; L227-P229 CarbonylContact C-O 3.57Å; L227-P229 CarbonylContact O-C 3.58Å; L227-P229 VanDerWaalsContact O-C 3.28Å; L227-S230 WeakPolarHBondContact O-CA 3.27Å; L227-S230 PolarHBondContact O-N 3.03Å; L227-P231 HydrophobicContact CB-CG 4.06Å; L227-P231 HydrophobicContact CD1-CG 3.86Å; L227-L247 HydrophobicContact CD1-CD1 4.24Å; L227-F269 HydrophobicContact CB-CB 4.01Å; L227-F269 HydrophobicContact CB-CD1 4.49Å; L227-F269 HydrophobicContact CB-CG 4.38Å; L227-F269 HydrophobicContact CD2-CB 4Å; L227-F269 HydrophobicContact CG-CB 4.38Å; L227-T270 CarbonylContact C-O 3.35Å; L227-T270 WeakPolarHBondContact CA-O 3.37Å; L227-V271 HydrophobicContact CD2-CB 4.49Å; L227-V271 HydrophobicContact CD2-CG2 3.78Å; L227-L365 HydrophobicContact CD1-CD2 3.93Å; L227-L365 HydrophobicContact CD2-CB 4.38Å; L227-L365 HydrophobicContact CD2-CD2 4.01Å
228L80.7Confident75.8Confident31 Ų3139.4 Ų39.416%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-120.5123.7178.5-60.1178.9000110.6F48 V226 F269 T270 V272F48-L228 HydrophobicContact CE2-CB 4.21Å; V226-L228 HydrophobicContact CG1-CD2 3.84Å; V226-L228 HydrophobicContact CG1-CG 4.25Å; L228-F269 CarbonylContact O-C 3.56Å; L228-F269 WeakPolarHBondContact O-CA 3.35Å; L228-T270 PolarHBondContact N-O 3.27Å; L228-T270 PolarHBondContact O-N 2.87Å; L228-V272 HydrophobicContact CD1-CG2 3.67Å; L228-V272 HydrophobicContact CG-CG2 4.27Å
229P79Confident73.6Confident2 Ų241.9 Ų41.91%0.01324%0.235CC..SBendcis-65.9152.5-4.230.2-35.6000111.6I2 F48 Y108 S112 L227 P231 F269I2-P229 HydrophobicContact CD1-CB 4.31Å; I2-P229 HydrophobicContact CD1-CG 4.27Å; I2-P229 HydrophobicContact CG1-CB 3.84Å; I2-P229 HydrophobicContact CG1-CG 4.32Å; F48-P229 HydrophobicContact CD2-CB 4.3Å; Y108-P229 HydrophobicContact CD1-CG 3.9Å; Y108-P229 HydrophobicContact CE1-CG 4.23Å; S112-P229 VanDerWaalsContact OG-CG 3.31Å; S112-P229 WeakPolarHBondContact OG-CG 3.42Å; L227-P229 CarbonylContact C-O 3.57Å; L227-P229 CarbonylContact O-C 3.58Å; L227-P229 VanDerWaalsContact O-C 3.28Å; P229-P231 WeakPolarHBondContact O-CD 3.3Å; P229-F269 HydrophobicContact CG-CD1 4.47Å; P229-F269 WeakPolarHBondContact O-CD1 3.4Å
230S75.4Confident71.6Confident10 Ų1045 Ų457%0.0724%0.235CC..PPolyproline II helixtrans-52.8127.4172.9-173.80000110.5P212 L227P212-S230 WeakPolarHBondContact CD-OG 3.24Å; L227-S230 WeakPolarHBondContact O-CA 3.27Å; L227-S230 PolarHBondContact O-N 3.03Å
231P74.4Confident69.6Low4 Ų439.1 Ų39.13%0.02622%0.221CC..BIsolated β-bridgetrans-63.5142.8178.71.5-0.3000112.7W111 P212 L227 P229 F236 L247 F269W111-P231 CarbonylContact O-C 3.53Å; W111-P231 WeakPolarHBondContact O-CA 3.48Å; P212-P231 HydrophobicContact CG-CG 4.13Å; L227-P231 HydrophobicContact CB-CG 4.06Å; L227-P231 HydrophobicContact CD1-CG 3.86Å; P229-P231 WeakPolarHBondContact O-CD 3.3Å; P231-F236 HydrophobicContact CB-CD2 3.62Å; P231-F236 HydrophobicContact CB-CE1 3.96Å; P231-F236 HydrophobicContact CB-CE2 2.91Å; P231-F236 HydrophobicContact CB-CG 4.46Å; P231-F236 HydrophobicContact CB-CZ 3.11Å; P231-F236 HydrophobicContact CG-CE1 4.42Å; P231-F236 HydrophobicContact CG-CE2 4.12Å; P231-F236 HydrophobicContact CG-CZ 3.88Å; P231-L247 HydrophobicContact CG-CD1 3.94Å; P231-F269 HydrophobicContact CB-CE1 3.94Å; P231-F269 HydrophobicContact CB-CZ 4.05Å; P231-F269 HydrophobicContact CG-CE1 4.25Å
232G64.3Low67.7Low0 Ų034.7 Ų34.70%020%0.198CC..PPolyproline II helixtrans-78.2135.7-173.100000114.1W111 H234 S235 F236W111-G232 PolarHBondContact O-N 3.11Å; G232-H234 VanDerWaalsContact C-N 3.35Å; G232-H234 PolarHBondContact O-N 3.07Å; G232-S235 WeakPolarHBondContact O-CB 3.38Å; G232-S235 PolarHBondContact O-N 2.89Å; G232-S235 PolarHBondContact O-OG 2.74Å; G232-F236 WeakPolarHBondContact O-CD2 3.41Å; G232-F236 PolarHBondContact O-N 3.27Å
233V53.5Low65.7Low30 Ų3031.8 Ų31.818%0.18219%0.193CC..THydrogen-bonded Turntrans-53-41.7-172.7176.60000113.8T237 L242V233-T237 PolarHBondContact O-OG1 3.36Å; V233-T237 VanDerWaalsContact O-OG1 3.08Å; V233-L242 HydrophobicContact CB-CB 4.36Å; V233-L242 HydrophobicContact CG1-CB 3.79Å; V233-L242 HydrophobicContact CG2-CB 4.39Å
234H56.5Low63.8Low44 Ų4438.2 Ų38.220%0.20422%0.22CC..THydrogen-bonded Turntrans-84.7-37-178.2-54.2-74.8000112.3N144 D145 K172 G232 F236 T237 G238 N240N144-H234 PolarHBondContact O-CD2 2.84Å; N144-H234 VanDerWaalsContact O-CD2 3.31Å; D145-H234 WeakPolarHBondContact OD1-CB 3.24Å; D145-H234 IonicContact OD1-CD2 2.91Å; K172-H234 WeakPolarHBondContact CE-NE2 3.25Å; K172-H234 PolarHBondContact NZ-CD2 2.93Å; K172-H234 PolarHBondContact NZ-NE2 3.45Å; G232-H234 VanDerWaalsContact C-N 3.35Å; G232-H234 PolarHBondContact O-N 3.07Å; H234-F236 PolarHBondContact O-N 3.3Å; H234-F236 VanDerWaalsContact O-N 3.14Å; H234-T237 PolarHBondContact O-N 2.79Å; H234-G238 PolarHBondContact O-N 3.33Å; H234-N240 PolarHBondContact CE1-OD1 2.99Å; H234-N240 VanDerWaalsContact CE1-OD1 3.3Å; H234-N240 PolarHBondContact ND1-OD1 3.38Å
235S53.7Low62.6Low22 Ų2236.7 Ų36.715%0.15421%0.212CC..THydrogen-bonded Turntrans-57.4-28.1-177.989.50000113.1P110 W111 G232P110-S235 WeakPolarHBondContact O-CB 3.4Å; W111-S235 VanDerWaalsContact CA-OG 3.31Å; W111-S235 WeakPolarHBondContact CA-OG 3.37Å; G232-S235 WeakPolarHBondContact O-CB 3.38Å; G232-S235 PolarHBondContact O-N 2.89Å; G232-S235 PolarHBondContact O-OG 2.74Å
236F53.9Low62.1Low2 Ų237.5 Ų37.51%0.00922%0.217CC..THydrogen-bonded Turntrans-90.8-19177.3-79.9-106.7000114.7W111 P231 G232 H234 L247 F269 I303 W348W111-F236 HydrophobicContact CB-CE2 3.94Å; W111-F236 HydrophobicContact CG-CE2 4.28Å; P231-F236 HydrophobicContact CB-CD2 3.62Å; P231-F236 HydrophobicContact CB-CE1 3.96Å; P231-F236 HydrophobicContact CB-CE2 2.91Å; P231-F236 HydrophobicContact CB-CG 4.46Å; P231-F236 HydrophobicContact CB-CZ 3.11Å; P231-F236 HydrophobicContact CG-CE1 4.42Å; P231-F236 HydrophobicContact CG-CE2 4.12Å; P231-F236 HydrophobicContact CG-CZ 3.88Å; G232-F236 WeakPolarHBondContact O-CD2 3.41Å; G232-F236 PolarHBondContact O-N 3.27Å; H234-F236 PolarHBondContact O-N 3.3Å; H234-F236 VanDerWaalsContact O-N 3.14Å; F236-L247 HydrophobicContact CD1-CD1 4.24Å; F236-L247 HydrophobicContact CD1-CD2 3.96Å; F236-L247 HydrophobicContact CE1-CD1 4.02Å; F236-L247 HydrophobicContact CE1-CD2 4.42Å; F236-F269 HydrophobicContact CE2-CZ 4.19Å; F236-F269 HydrophobicContact CZ-CE2 4.07Å; F236-F269 AromaticContact CZ-CZ 3.87Å; F236-F269 HydrophobicContact CZ-CZ 3.87Å; F236-I303 WeakPolarHBondContact O-CD1 3.36Å; F236-W348 HydrophobicContact CB-CZ2 4.36Å; F236-W348 AromaticContact CD1-CD2 3.58Å; F236-W348 HydrophobicContact CD1-CD2 3.58Å; F236-W348 AromaticContact CD1-CE2 3.59Å; F236-W348 AromaticContact CD1-CE3 3.51Å; F236-W348 HydrophobicContact CD1-CE3 3.51Å; F236-W348 HydrophobicContact CD1-CG 4.42Å; F236-W348 AromaticContact CD1-CH2 3.42Å; F236-W348 HydrophobicContact CD1-CH2 3.42Å; F236-W348 VanDerWaalsContact CD1-CH2 3.42Å; F236-W348 AromaticContact CD1-CZ2 3.5Å; F236-W348 HydrophobicContact CD1-CZ2 3.5Å; F236-W348 AromaticContact CD1-CZ3 3.43Å; F236-W348 HydrophobicContact CD1-CZ3 3.43Å; F236-W348 VanDerWaalsContact CD1-CZ3 3.43Å; F236-W348 HydrophobicContact CD2-CH2 4.28Å; F236-W348 HydrophobicContact CD2-CZ2 4.1Å; F236-W348 HydrophobicContact CE1-CD2 4.05Å; F236-W348 AromaticContact CE1-CE3 3.52Å; F236-W348 HydrophobicContact CE1-CE3 3.52Å; F236-W348 AromaticContact CE1-CH2 3.02Å; F236-W348 HydrophobicContact CE1-CH2 3.02Å; F236-W348 AromaticContact CE1-CZ2 3.63Å; F236-W348 HydrophobicContact CE1-CZ2 3.63Å; F236-W348 AromaticContact CE1-CZ3 2.96Å; F236-W348 HydrophobicContact CE1-CZ3 2.96Å; F236-W348 AromaticContact CE2-CH2 3.86Å; F236-W348 HydrophobicContact CE2-CH2 3.86Å; F236-W348 HydrophobicContact CE2-CZ2 4.09Å; F236-W348 HydrophobicContact CG-CD2 4.34Å; F236-W348 AromaticContact CG-CE2 3.93Å; F236-W348 HydrophobicContact CG-CH2 4.05Å; F236-W348 AromaticContact CG-CZ2 3.77Å; F236-W348 HydrophobicContact CG-CZ2 3.77Å; F236-W348 HydrophobicContact CG-CZ3 4.46Å; F236-W348 AromaticContact CZ-CH2 3.22Å; F236-W348 HydrophobicContact CZ-CH2 3.22Å; F236-W348 AromaticContact CZ-CZ2 3.87Å; F236-W348 HydrophobicContact CZ-CZ2 3.87Å; F236-W348 AromaticContact CZ-CZ3 3.61Å; F236-W348 HydrophobicContact CZ-CZ3 3.61Å; F236-W348 PolarHBondContact O-NE1 3.02Å
237T49.7Very low62.2Low8 Ų837.4 Ų37.45%0.04922%0.217CC..THydrogen-bonded Turntrans-139.6-20.4-162.162.70000115.8V233 H234 L239 L242 I303V233-T237 PolarHBondContact O-OG1 3.36Å; V233-T237 VanDerWaalsContact O-OG1 3.08Å; H234-T237 PolarHBondContact O-N 2.79Å; T237-L239 WeakPolarHBondContact O-CG 3.37Å; T237-L239 PolarHBondContact O-N 3.42Å; T237-L239 WeakPolarHBondContact OG1-CB 3.44Å; T237-L239 PolarHBondContact OG1-N 2.85Å; T237-L239 VanDerWaalsContact OG1-N 3.08Å; T237-L239 PolarHBondContact OG1-O 2.98Å; T237-L242 HydrophobicContact CG2-CD1 3.34Å; T237-I303 HydrophobicContact CG2-CD1 3.62Å; T237-I303 HydrophobicContact CG2-CG1 4Å; T237-I303 HydrophobicContact CG2-CG2 4.3Å
238G50.8Low62.5Low63 Ų6337.6 Ų37.665%0.64922%0.219SC*.SBendtrans54.510.2-161.800000112.8H234H234-G238 PolarHBondContact O-N 3.33Å
239L49Very low63.1Low82 Ų8236.2 Ų36.243%0.42921%0.211SC..SBendtrans-114.1131.6-179.3-64.2166.1000105.9T237 D241 M305T237-L239 WeakPolarHBondContact O-CG 3.37Å; T237-L239 PolarHBondContact O-N 3.42Å; T237-L239 WeakPolarHBondContact OG1-CB 3.44Å; T237-L239 PolarHBondContact OG1-N 2.85Å; T237-L239 VanDerWaalsContact OG1-N 3.08Å; T237-L239 PolarHBondContact OG1-O 2.98Å; L239-D241 PolarHBondContact O-N 3.19Å; L239-M305 HydrophobicContact CD1-CE 4.28Å
240N48.8Very low63.9Low132 Ų13240 Ų4071%0.70623%0.229SC*.SBendtrans-69.4-2.5-175.9-70.1-20.1000113.9H234H234-N240 PolarHBondContact CE1-OD1 2.99Å; H234-N240 VanDerWaalsContact CE1-OD1 3.3Å; H234-N240 PolarHBondContact ND1-OD1 3.38Å
241D49.5Very low65Low107 Ų10740 Ų4057%0.57223%0.228SC*.  trans-131.767.4-160-139.3-4.3000112.2L239 A243 K245L239-D241 PolarHBondContact O-N 3.19Å; D241-A243 VanDerWaalsContact C-N 3.27Å; D241-K245 WeakPolarHBondContact O-CD 3.18Å; D241-K245 WeakPolarHBondContact O-CE 3.15Å; D241-K245 PolarHBondContact O-NZ 3.44Å
242L51.8Low65.9Low5 Ų543.5 Ų43.53%0.02624%0.243CC..  trans-84.3-3.3165.1-150.987.5000111.8P212 V233 T237 K244 K245 I303P212-L242 HydrophobicContact CB-CD2 4.18Å; P212-L242 HydrophobicContact CG-CD2 4.44Å; V233-L242 HydrophobicContact CB-CB 4.36Å; V233-L242 HydrophobicContact CG1-CB 3.79Å; V233-L242 HydrophobicContact CG2-CB 4.39Å; T237-L242 HydrophobicContact CG2-CD1 3.34Å; L242-K244 PolarHBondContact O-N 3.16Å; L242-K245 HydrophobicContact CD1-CB 3.82Å; L242-K245 HydrophobicContact CD1-CD 3.98Å; L242-K245 HydrophobicContact CD1-CG 4.48Å; L242-K245 HydrophobicContact CG-CB 3.89Å; L242-K245 PolarHBondContact O-N 2.83Å; L242-I303 HydrophobicContact CD1-CG2 4.12Å
243A48.5Very low67.4Low51 Ų5144.6 Ų44.642%0.42125%0.254SS..THydrogen-bonded Turntrans-58.8-11.8-173.200000114.4V210 D241V210-A243 HydrophobicContact CG2-CB 4.08Å; D241-A243 VanDerWaalsContact C-N 3.27Å
244K51.6Low69.4Low141 Ų14148.3 Ų48.361%0.61327%0.268SS*.THydrogen-bonded Turntrans-125.610.7172.7-67.1-173.9178.4-177.10114.9L242 N306L242-K244 PolarHBondContact O-N 3.16Å; K244-N306 PolarHBondContact O-ND2 2.85Å
245K64.4Low71.1Confident32 Ų3247 Ų4714%0.13926%0.262CS..  trans-105.7140-171.1-60.5177-179.5151.90111.1D241 L242 I303 V304 M305D241-K245 WeakPolarHBondContact O-CD 3.18Å; D241-K245 WeakPolarHBondContact O-CE 3.15Å; D241-K245 PolarHBondContact O-NZ 3.44Å; L242-K245 HydrophobicContact CD1-CB 3.82Å; L242-K245 HydrophobicContact CD1-CD 3.98Å; L242-K245 HydrophobicContact CD1-CG 4.48Å; L242-K245 HydrophobicContact CG-CB 3.89Å; L242-K245 PolarHBondContact O-N 2.83Å; K245-I303 HydrophobicContact CB-CG2 4.15Å; K245-I303 HydrophobicContact CD-CG2 3.77Å; K245-I303 HydrophobicContact CG-CG2 4.44Å; K245-V304 WeakPolarHBondContact CA-O 3.42Å; K245-V304 WeakPolarHBondContact CB-O 3.29Å; K245-M305 HydrophobicContact CD-CG 4.28Å
246S79Confident72.9Confident16 Ų1648.1 Ų48.111%0.11227%0.267CS..EExtended strand (participates in β ladder)trans-101.8157.3173.949.80000109.9N213 V304N213-S246 WeakPolarHBondContact O-CA 3.45Å; N213-S246 VanDerWaalsContact O-CB 3.25Å; N213-S246 WeakPolarHBondContact O-CB 3.49Å; S246-V304 PolarHBondContact N-O 2.83Å; S246-V304 PolarHBondContact O-N 3.04Å; S246-V304 WeakPolarHBondContact OG-CB 3.4Å
247L86.8Confident74.6Confident1 Ų152.3 Ų52.31%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-102135.2172.9-65.3172.9000108.8P212 N213 V214 I215 L227 P231 F236 Y302 I303P212-L247 HydrophobicContact CB-CD1 4.18Å; P212-L247 HydrophobicContact CB-CG 4.16Å; P212-L247 HydrophobicContact CG-CD1 3.95Å; P212-L247 HydrophobicContact CG-CG 4.47Å; N213-L247 PolarHBondContact O-N 3.48Å; V214-L247 CarbonylContact C-O 3.49Å; V214-L247 WeakPolarHBondContact CA-O 3.37Å; V214-L247 HydrophobicContact CG1-CB 4.27Å; V214-L247 HydrophobicContact CG2-CB 4.02Å; V214-L247 HydrophobicContact CG2-CD1 4.18Å; I215-L247 PolarHBondContact N-O 3.03Å; L227-L247 HydrophobicContact CD1-CD1 4.24Å; P231-L247 HydrophobicContact CG-CD1 3.94Å; F236-L247 HydrophobicContact CD1-CD1 4.24Å; F236-L247 HydrophobicContact CD1-CD2 3.96Å; F236-L247 HydrophobicContact CE1-CD1 4.02Å; F236-L247 HydrophobicContact CE1-CD2 4.42Å; L247-Y302 WeakPolarHBondContact CA-O 3.25Å; L247-I303 HydrophobicContact CD2-CG1 4.26Å
248C91Very high76.5Confident7 Ų755.9 Ų55.95%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-115.8119.9172.3-179.20000108.5I215 N217 Y302 V304I215-C248 CarbonylContact O-C 3.53Å; I215-C248 WeakPolarHBondContact O-CA 3.31Å; N217-C248 PolarHBondContact ND2-SG 3.43Å; C248-Y302 PolarHBondContact N-O 2.8Å; C248-Y302 PolarHBondContact O-N 3.37Å; C248-V304 HydrophobicContact CB-CG2 3.71Å
249V94.2Very high78.5Confident1 Ų153.5 Ų53.51%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-104.9110.4176.1-178.10000107.4V214 I215 I216 N217 C299 N300 I301 L353 L365V214-V249 HydrophobicContact CG1-CG2 3.92Å; I215-V249 PolarHBondContact O-N 3.07Å; I216-V249 CarbonylContact C-O 3.51Å; I216-V249 WeakPolarHBondContact CA-O 3.47Å; I216-V249 HydrophobicContact CG1-CB 4.13Å; I216-V249 HydrophobicContact CG1-CG2 4.48Å; N217-V249 PolarHBondContact N-O 3.4Å; V249-C299 HydrophobicContact CG1-CB 3.62Å; V249-N300 CarbonylContact C-O 3.53Å; V249-N300 WeakPolarHBondContact CA-O 3.48Å; V249-I301 HydrophobicContact CG2-CG1 4.39Å; V249-I301 HydrophobicContact CG2-CG2 4.43Å; V249-L353 HydrophobicContact CG1-CD1 4.47Å; V249-L365 HydrophobicContact CG1-CD1 4.42Å; V249-L365 HydrophobicContact CG2-CD2 4.24Å
250E95.6Very high80.6Confident82 Ų8249.7 Ų49.738%0.38327%0.266SS..EExtended strand (participates in β ladder)trans-105.1112.5-178.7-172.4173.4-162.700109.8F252 C299 N300 Y302E250-F252 PolarHBondContact O-N 2.78Å; E250-C299 CarbonylContact O-C 3.58Å; E250-C299 WeakPolarHBondContact O-CA 3.33Å; E250-C299 WeakPolarHBondContact O-CB 3.12Å; E250-N300 PolarHBondContact N-O 3.34Å; E250-N300 PolarHBondContact O-N 3.06Å; E250-Y302 HydrophobicContact CB-CD2 4.39Å; E250-Y302 HydrophobicContact CB-CE2 3.92Å; E250-Y302 WeakPolarHBondContact OE2-CE2 3.21Å
251I97.3Very high82.5Confident11 Ų1147.9 Ų47.96%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-73.1122.1174.3-60.6174.9000108.3I216 N217 C218 F254 L286 A297 M298 C299 L353I216-I251 HydrophobicContact CG2-CD1 4.3Å; N217-I251 WeakPolarHBondContact O-CB 3.2Å; N217-I251 PolarHBondContact O-N 2.7Å; C218-I251 HydrophobicContact CB-CB 4.31Å; C218-I251 HydrophobicContact CB-CD1 4.13Å; I251-F254 HydrophobicContact CG2-CE1 4.5Å; I251-F254 HydrophobicContact CG2-CE2 4.35Å; I251-F254 HydrophobicContact CG2-CZ 4.07Å; I251-L286 HydrophobicContact CD1-CD1 4.25Å; I251-L286 HydrophobicContact CD1-CD2 3.82Å; I251-A297 HydrophobicContact CD1-CB 4.07Å; I251-A297 HydrophobicContact CG1-CB 4.38Å; I251-A297 HydrophobicContact CG2-CB 3.88Å; I251-M298 WeakPolarHBondContact CA-O 3.27Å; I251-C299 HydrophobicContact CG1-CB 4.4Å; I251-L353 HydrophobicContact CD1-CD1 3.75Å; I251-L353 HydrophobicContact CG1-CD1 4.01Å
252F94.8Very high84.5Confident77 Ų7749.5 Ų49.534%0.33827%0.265SS..EExtended strand (participates in β ladder)trans-109.4-11.5-17966.5-103.6000113.6E250 M298 C299 N300 F381 L384E250-F252 PolarHBondContact O-N 2.78Å; F252-M298 HydrophobicContact CD1-CB 4.49Å; F252-M298 HydrophobicContact CD2-CB 4.24Å; F252-M298 HydrophobicContact CE1-CB 3.91Å; F252-M298 HydrophobicContact CE2-CB 3.62Å; F252-M298 HydrophobicContact CE2-CG 4.49Å; F252-M298 HydrophobicContact CZ-CB 3.45Å; F252-M298 VanDerWaalsContact CZ-CB 3.45Å; F252-M298 HydrophobicContact CZ-CE 4.27Å; F252-M298 HydrophobicContact CZ-CG 4.42Å; F252-M298 PolarHBondContact N-O 3.21Å; F252-C299 VanDerWaalsContact CE1-C 3.5Å; F252-N300 WeakPolarHBondContact CD1-OD1 3.49Å; F252-N300 VanDerWaalsContact CE1-OD1 3.3Å; F252-N300 WeakPolarHBondContact CE1-OD1 3.45Å; F252-F381 HydrophobicContact CZ-CB 4.48Å; F252-L384 HydrophobicContact CE2-CD1 4.21Å
253G95Very high86.4Confident22 Ų2249.5 Ų49.523%0.22727%0.266CS..EExtended strand (participates in β ladder)trans-178.8176.6179.100000113.6A297 M298G253-A297 CarbonylContact O-C 3.58Å; G253-A297 WeakPolarHBondContact O-CA 3.39Å; G253-M298 PolarHBondContact O-N 3.02Å
254F95Very high88.4Confident109 Ų10951.6 Ų51.648%0.47828%0.275SS..EExtended strand (participates in β ladder)trans-127.6141.6177.7-60.5-92.1000109.8I251 L286 L290 V296 A297I251-F254 HydrophobicContact CG2-CE1 4.5Å; I251-F254 HydrophobicContact CG2-CE2 4.35Å; I251-F254 HydrophobicContact CG2-CZ 4.07Å; F254-L286 HydrophobicContact CE1-CD1 3.93Å; F254-L286 HydrophobicContact CZ-CD1 4.42Å; F254-L290 HydrophobicContact CD1-CD2 4.35Å; F254-L290 HydrophobicContact CE1-CD2 4.44Å; F254-V296 VanDerWaalsContact CA-O 3.25Å; F254-V296 WeakPolarHBondContact CA-O 3.38Å; F254-A297 HydrophobicContact CD1-CB 3.7Å; F254-A297 HydrophobicContact CE1-CB 3.49Å; F254-A297 VanDerWaalsContact CE1-CB 3.49Å; F254-A297 HydrophobicContact CZ-CB 4.35Å
255L93.2Very high90.2Very high15 Ų1546.1 Ų46.18%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-127.7153.2177.3-67.5177.7000110T295 V296 M298 L378 F405L255-T295 CarbonylContact O-C 3.57Å; L255-T295 WeakPolarHBondContact O-CA 3.24Å; L255-T295 WeakPolarHBondContact O-CB 3.5Å; L255-V296 HydrophobicContact CB-CG2 3.98Å; L255-V296 PolarHBondContact N-O 3.2Å; L255-V296 PolarHBondContact O-N 3.05Å; L255-M298 HydrophobicContact CD1-CE 4.42Å; L255-M298 HydrophobicContact CD1-CG 3.6Å; L255-M298 HydrophobicContact CD1-SD 3.81Å; L255-M298 HydrophobicContact CG-CG 3.86Å; L255-L378 HydrophobicContact CD1-CD1 3.62Å; L255-L378 HydrophobicContact CD1-CD2 4.34Å; L255-F405 HydrophobicContact CD2-CE2 3.7Å; L255-F405 HydrophobicContact CD2-CZ 4.4Å
256N91.1Very high91Very high47 Ų4747 Ų4725%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-66.8140.5167.9-164.3-36.7000109.1S258 D259 L260 K294N256-S258 VanDerWaalsContact CG-OG 3.26Å; N256-S258 PolarHBondContact O-N 2.88Å; N256-S258 PolarHBondContact OD1-N 3.35Å; N256-S258 PolarHBondContact OD1-OG 2.92Å; N256-D259 VanDerWaalsContact CB-OD2 3.3Å; N256-D259 WeakPolarHBondContact CB-OD2 3.42Å; N256-D259 PolarHBondContact O-N 2.88Å; N256-L260 PolarHBondContact O-N 2.85Å; N256-K294 PolarHBondContact OD1-O 2.87Å
257L89.9Confident91.2Very high89 Ų8946.5 Ų46.547%0.46626%0.257SS..Hα-helixtrans-56.3-33.8177-175.365.3000111.8D259 N261 K294 V296L257-D259 VanDerWaalsContact C-N 3.3Å; L257-D259 PolarHBondContact O-N 3.01Å; L257-N261 PolarHBondContact O-N 3.13Å; L257-K294 VanDerWaalsContact CB-O 3.27Å; L257-K294 WeakPolarHBondContact CB-O 3.5Å; L257-K294 PolarHBondContact N-O 2.64Å; L257-V296 HydrophobicContact CD1-CG1 3.66Å
258S89.6Confident91.2Very high84 Ų8452.9 Ų52.959%0.58728%0.281SS*.Hα-helixtrans-63.1-34176.257.40000113.3N256N256-S258 VanDerWaalsContact CG-OG 3.26Å; N256-S258 PolarHBondContact O-N 2.88Å; N256-S258 PolarHBondContact OD1-N 3.35Å; N256-S258 PolarHBondContact OD1-OG 2.92Å
259D91.8Very high91Very high13 Ų1352.6 Ų52.67%0.0728%0.279CS..Hα-helixtrans-79.9-37.3-178.3-59.4-39.5000111.9N256 L257 N261 W377 Y396 S403 F405N256-D259 VanDerWaalsContact CB-OD2 3.3Å; N256-D259 WeakPolarHBondContact CB-OD2 3.42Å; N256-D259 PolarHBondContact O-N 2.88Å; L257-D259 VanDerWaalsContact C-N 3.3Å; L257-D259 PolarHBondContact O-N 3.01Å; D259-N261 VanDerWaalsContact C-N 3.25Å; D259-N261 PolarHBondContact O-N 2.82Å; D259-W377 VanDerWaalsContact O-CD1 3.3Å; D259-W377 PolarHBondContact O-NE1 2.79Å; D259-Y396 VanDerWaalsContact OD2-CE1 3.28Å; D259-Y396 WeakPolarHBondContact OD2-CE1 3.39Å; D259-S403 WeakPolarHBondContact OD1-CB 3.44Å; D259-S403 PolarHBondContact OD1-OG 2.86Å; D259-S403 PolarHBondContact OD2-OG 2.81Å; D259-F405 HydrophobicContact CB-CB 3.97Å; D259-F405 HydrophobicContact CB-CD2 3.74Å; D259-F405 HydrophobicContact CB-CG 4.21Å
260L93Very high90.7Very high1 Ų154.1 Ų54.11%0.00529%0.288CS..Hα-helixtrans-64.8-37173.6-173.965.8000110.5N256 P263 V296 M298 Y352 F368 L375 W377 L378N256-L260 PolarHBondContact O-N 2.85Å; L260-P263 HydrophobicContact CD1-CG 3.98Å; L260-P263 HydrophobicContact CD2-CG 4.15Å; L260-P263 HydrophobicContact CG-CG 3.86Å; L260-V296 HydrophobicContact CB-CG2 4.16Å; L260-V296 HydrophobicContact CD2-CB 4.28Å; L260-V296 HydrophobicContact CD2-CG1 4.16Å; L260-V296 HydrophobicContact CD2-CG2 3.73Å; L260-V296 HydrophobicContact CG-CG2 4.45Å; L260-M298 HydrophobicContact CD1-SD 4.04Å; L260-Y352 HydrophobicContact CD2-CD1 3.8Å; L260-Y352 HydrophobicContact CD2-CD2 3.44Å; L260-Y352 VanDerWaalsContact CD2-CD2 3.44Å; L260-Y352 HydrophobicContact CD2-CE1 3.89Å; L260-Y352 HydrophobicContact CD2-CE2 3.53Å; L260-Y352 HydrophobicContact CD2-CG 3.58Å; L260-F368 HydrophobicContact CD1-CZ 4.33Å; L260-L375 HydrophobicContact CD1-CD1 3.9Å; L260-W377 PolarHBondContact O-NE1 2.87Å; L260-W377 VanDerWaalsContact O-NE1 3.07Å; L260-L378 HydrophobicContact CD1-CD1 4.02Å
261N90Very high90.5Very high94 Ų9450.7 Ų50.750%0.50327%0.273SS..  trans60.7-137-175.9-162.3-19.3000110.6L257 D259 P263L257-N261 PolarHBondContact O-N 3.13Å; D259-N261 VanDerWaalsContact C-N 3.25Å; D259-N261 PolarHBondContact O-N 2.82Å; N261-P263 VanDerWaalsContact C-CD 3.46Å; N261-P263 VanDerWaalsContact O-CD 3.24Å; N261-P263 WeakPolarHBondContact O-CD 3.45Å
262N90.9Very high90Very high141 Ų14153 Ų5375%0.75429%0.287SS*.SBendtrans-116.472.9179.9-66.2-72.2000110.3
263P92.8Very high89.5Confident6 Ų651.3 Ų51.34%0.03929%0.285CS..  trans-68.4148-17731.3-36.8000110.7L260 N261 V265 Y352 F368 L375 W377L260-P263 HydrophobicContact CD1-CG 3.98Å; L260-P263 HydrophobicContact CD2-CG 4.15Å; L260-P263 HydrophobicContact CG-CG 3.86Å; N261-P263 VanDerWaalsContact C-CD 3.46Å; N261-P263 VanDerWaalsContact O-CD 3.24Å; N261-P263 WeakPolarHBondContact O-CD 3.45Å; P263-V265 PolarHBondContact O-N 2.78Å; P263-Y352 HydrophobicContact CG-CE1 3.74Å; P263-F368 HydrophobicContact CB-CE1 3.68Å; P263-F368 HydrophobicContact CB-CZ 4.36Å; P263-F368 HydrophobicContact CG-CE1 3.69Å; P263-F368 HydrophobicContact CG-CZ 4.21Å; P263-L375 HydrophobicContact CB-CD1 3.67Å; P263-L375 HydrophobicContact CB-CD2 4.01Å; P263-L375 HydrophobicContact CG-CD1 4.4Å; P263-W377 HydrophobicContact CB-CZ2 4.05Å
264P90.2Very high88.5Confident94 Ų9455.7 Ų55.761%0.6130%0.295SS*.  trans-63.3133.1171.728.3-33.6000109.5F368P264-F368 WeakPolarHBondContact O-CD1 3.48Å
265V88.9Confident87.3Confident27 Ų2753.2 Ų53.216%0.16429%0.289CS..  trans-130.4140.7179.8-64.90000108.9P263 G267 R268 Y352 V367 F368P263-V265 PolarHBondContact O-N 2.78Å; V265-G267 VanDerWaalsContact C-N 3.33Å; V265-R268 HydrophobicContact CG2-CG 4.19Å; V265-Y352 HydrophobicContact CG1-CE1 3.69Å; V265-V367 CarbonylContact C-O 3.59Å; V265-V367 WeakPolarHBondContact CA-O 3.43Å; V265-V367 WeakPolarHBondContact CB-O 3.35Å; V265-F368 HydrophobicContact CG1-CD1 3.96Å; V265-F368 HydrophobicContact CG1-CE1 4Å
266N81.1Confident86Confident50 Ų5057.6 Ų57.627%0.26731%0.312SS..SBendtrans-90.6-2.1-177.3-8622.1000112.1P110 W111 V367P110-N266 WeakPolarHBondContact CD-O 3.37Å; W111-N266 HydrophobicContact CD2-CB 4.19Å; W111-N266 HydrophobicContact CE3-CB 4.07Å; W111-N266 HydrophobicContact CH2-CB 3.06Å; W111-N266 HydrophobicContact CZ2-CB 3.24Å; W111-N266 HydrophobicContact CZ3-CB 3.44Å; W111-N266 VanDerWaalsContact CZ3-CB 3.44Å; N266-V367 PolarHBondContact N-O 2.69Å
267G82.4Confident84.8Confident6 Ų661.6 Ų61.66%0.06234%0.341CS..EExtended strand (participates in β ladder)trans174.8159.9175.500000113.1V265 V367V265-G267 VanDerWaalsContact C-N 3.33Å; G267-V367 PolarHBondContact O-N 2.93Å
268R87.7Confident83.6Confident135 Ų13561.9 Ų61.951%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-135.5134.8-174.9-65-174.1178.4102.6-2.1109.4V265 M364 L365V265-R268 HydrophobicContact CG2-CG 4.19Å; R268-M364 HydrophobicContact CB-CG 4.35Å; R268-M364 HydrophobicContact CB-SD 3.81Å; R268-M364 HydrophobicContact CG-SD 4.13Å; R268-L365 CarbonylContact C-O 3.55Å; R268-L365 WeakPolarHBondContact CA-O 3.47Å
269F87.2Confident82.5Confident0 Ų063.5 Ų63.50%035%0.352CS..EExtended strand (participates in β ladder)trans-131.1128.7-176.4-54.4-77.7000109.5W111 L227 L228 P229 P231 F236 M364 L365 V367W111-F269 HydrophobicContact CB-CZ 3.79Å; W111-F269 HydrophobicContact CE3-CE2 4.05Å; W111-F269 HydrophobicContact CE3-CZ 4.21Å; L227-F269 HydrophobicContact CB-CB 4.01Å; L227-F269 HydrophobicContact CB-CD1 4.49Å; L227-F269 HydrophobicContact CB-CG 4.38Å; L227-F269 HydrophobicContact CD2-CB 4Å; L227-F269 HydrophobicContact CG-CB 4.38Å; L228-F269 CarbonylContact O-C 3.56Å; L228-F269 WeakPolarHBondContact O-CA 3.35Å; P229-F269 HydrophobicContact CG-CD1 4.47Å; P229-F269 WeakPolarHBondContact O-CD1 3.4Å; P231-F269 HydrophobicContact CB-CE1 3.94Å; P231-F269 HydrophobicContact CB-CZ 4.05Å; P231-F269 HydrophobicContact CG-CE1 4.25Å; F236-F269 HydrophobicContact CE2-CZ 4.19Å; F236-F269 HydrophobicContact CZ-CE2 4.07Å; F236-F269 AromaticContact CZ-CZ 3.87Å; F236-F269 HydrophobicContact CZ-CZ 3.87Å; F269-M364 CarbonylContact O-C 3.55Å; F269-M364 WeakPolarHBondContact O-CA 3.3Å; F269-M364 WeakPolarHBondContact O-CG 3.34Å; F269-L365 HydrophobicContact CB-CB 4.41Å; F269-L365 PolarHBondContact N-O 3.36Å; F269-L365 PolarHBondContact O-N 3.2Å; F269-V367 HydrophobicContact CD2-CG2 4.09Å; F269-V367 HydrophobicContact CE2-CG2 4.03Å
270T88.2Confident81.6Confident33 Ų3366.6 Ų66.620%0.20237%0.373CS..EExtended strand (participates in β ladder)trans-69.7130.4167.5-60.50000108.8L227 L228 V272 I362L227-T270 CarbonylContact C-O 3.35Å; L227-T270 WeakPolarHBondContact CA-O 3.37Å; L228-T270 PolarHBondContact N-O 3.27Å; L228-T270 PolarHBondContact O-N 2.87Å; T270-V272 HydrophobicContact CG2-CG2 3.97Å; T270-I362 HydrophobicContact CG2-CG2 3.59Å
271V91Very high81.2Confident11 Ų1167.6 Ų67.67%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-99.4113.2-179.8-176.10000108.5I216 A225 L227 L283 L353 L363 L365I216-V271 HydrophobicContact CD1-CG1 3.36Å; A225-V271 HydrophobicContact CB-CG1 3.85Å; L227-V271 HydrophobicContact CD2-CB 4.49Å; L227-V271 HydrophobicContact CD2-CG2 3.78Å; V271-L283 HydrophobicContact CG1-CD1 4.27Å; V271-L283 HydrophobicContact CG1-CD2 4.17Å; V271-L353 HydrophobicContact CG2-CD2 3.71Å; V271-L363 HydrophobicContact CB-CB 4.25Å; V271-L363 HydrophobicContact CB-CD2 4.02Å; V271-L363 HydrophobicContact CB-CG 4.07Å; V271-L363 HydrophobicContact CG1-CD2 3.96Å; V271-L363 HydrophobicContact CG2-CG 4.42Å; V271-L363 PolarHBondContact N-O 2.88Å; V271-L365 HydrophobicContact CG2-CB 3.73Å
272V86.3Confident81.3Confident59 Ų5963.8 Ų63.836%0.35836%0.358SS..EExtended strand (participates in β ladder)trans-111.8129.8-179.5-175.50000109.4A225 V226 L228 T270A225-V272 CarbonylContact C-O 3.59Å; A225-V272 VanDerWaalsContact CA-O 3.26Å; A225-V272 WeakPolarHBondContact CA-O 3.41Å; V226-V272 PolarHBondContact N-O 3.49Å; V226-V272 PolarHBondContact O-N 2.84Å; L228-V272 HydrophobicContact CD1-CG2 3.67Å; L228-V272 HydrophobicContact CG-CG2 4.27Å; T270-V272 HydrophobicContact CG2-CG2 3.97Å
273S84.4Confident81.3Confident41 Ų4157.5 Ų57.529%0.28732%0.324SS..EExtended strand (participates in β ladder)trans-70.3139.9174.7-174.60000110.9T275 D281S273-T275 PolarHBondContact OG-N 2.88Å; S273-T275 PolarHBondContact OG-OG1 3.19Å; S273-D281 WeakPolarHBondContact CB-OD2 3.34Å; S273-D281 PolarHBondContact OG-OD2 3.35Å
274R74.5Confident81.2Confident115 Ų11561.1 Ų61.143%0.43434%0.341SS..  trans-89-4.1167.6-72.5-165.4169.1167.86.1113.4N213 M224 V226N213-R274 PolarHBondContact OD1-NH1 3.49Å; M224-R274 HydrophobicContact CB-CB 4.41Å; M224-R274 PolarHBondContact O-N 3.36Å; M224-R274 VanDerWaalsContact O-N 3.11Å; V226-R274 HydrophobicContact CG2-CG 3.69Å
275T70Confident81.2Confident57 Ų5761 Ų6135%0.3533%0.334SS..SBendtrans-83.7150.4-178.363.70000111S273 D281S273-T275 PolarHBondContact OG-N 2.88Å; S273-T275 PolarHBondContact OG-OG1 3.19Å; T275-D281 HydrophobicContact CG2-CB 4.28Å; T275-D281 WeakPolarHBondContact OG1-CB 3.39Å; T275-D281 VanDerWaalsContact OG1-CG 3.27Å; T275-D281 PolarHBondContact OG1-OD2 2.82Å; T275-D281 VanDerWaalsContact OG1-OD2 3.08Å
276D65.8Low81.4Confident106 Ų10660 Ų6057%0.56733%0.328SS*.  trans-58.5129.4176.6-171.5-40.3000109.4S278 N279D276-S278 PolarHBondContact O-N 2.84Å; D276-S278 WeakPolarHBondContact OD1-CB 3.39Å; D276-S278 PolarHBondContact OD1-N 3.18Å; D276-S278 PolarHBondContact OD1-OG 3.46Å; D276-N279 PolarHBondContact O-N 3Å; D276-N279 VanDerWaalsContact O-N 3.11Å
277P64.6Low81.9Confident132 Ų13259.2 Ų59.286%0.85732%0.324SS*.THydrogen-bonded Turntrans-57.3-15.5-17922.3-34000114.3N279P277-N279 VanDerWaalsContact C-N 3.29Å; P277-N279 PolarHBondContact O-N 3.41Å
278S65Low82.2Confident95 Ų9565.5 Ų65.566%0.66435%0.345SS*.THydrogen-bonded Turntrans-69.7-18.6176.657.70000114.7D276D276-S278 PolarHBondContact O-N 2.84Å; D276-S278 WeakPolarHBondContact OD1-CB 3.39Å; D276-S278 PolarHBondContact OD1-N 3.18Å; D276-S278 PolarHBondContact OD1-OG 3.46Å
279N67.9Low82.4Confident118 Ų11862 Ų6263%0.63134%0.342SS*.SBendtrans-121112.8179.3-163.80000110.5D276 P277 D281D276-N279 PolarHBondContact O-N 3Å; D276-N279 VanDerWaalsContact O-N 3.11Å; P277-N279 VanDerWaalsContact C-N 3.29Å; P277-N279 PolarHBondContact O-N 3.41Å; N279-D281 PolarHBondContact O-N 3.47Å
280P72.4Confident82.7Confident77 Ų7762.3 Ų62.350%0.534%0.343SS..  trans-66.1108.2-177.327-33.6000110.4H284P280-H284 HydrophobicContact CB-CB 4.3Å
281D84.4Confident82.8Confident23 Ų2363 Ų6312%0.12334%0.344CS..  trans-82.3179.217473.2-10000111.8S223 S273 T275 N279 L283 H284 L285S223-D281 PolarHBondContact OG-OD2 3.15Å; S273-D281 WeakPolarHBondContact CB-OD2 3.34Å; S273-D281 PolarHBondContact OG-OD2 3.35Å; T275-D281 HydrophobicContact CG2-CB 4.28Å; T275-D281 WeakPolarHBondContact OG1-CB 3.39Å; T275-D281 VanDerWaalsContact OG1-CG 3.27Å; T275-D281 PolarHBondContact OG1-OD2 2.82Å; T275-D281 VanDerWaalsContact OG1-OD2 3.08Å; N279-D281 PolarHBondContact O-N 3.47Å; D281-L283 PolarHBondContact O-N 3.46Å; D281-L283 WeakPolarHBondContact OD1-CB 3.19Å; D281-L283 PolarHBondContact OD1-N 2.96Å; D281-L283 VanDerWaalsContact OD1-N 3.1Å; D281-H284 PolarHBondContact O-N 3.16Å; D281-H284 PolarHBondContact OD1-N 3.13Å; D281-L285 PolarHBondContact O-N 3.35Å; D281-L285 VanDerWaalsContact O-N 3.13Å
282L91.6Very high82.6Confident13 Ų1368.8 Ų68.87%0.06838%0.375CS..Hα-helixtrans-52.9-36.7174.4170.562.9000112.3I216 C218 L221 L285 L286I216-L282 HydrophobicContact CG2-CD2 4.32Å; I216-L282 WeakPolarHBondContact O-CD2 3.38Å; C218-L282 HydrophobicContact CB-CD1 3.87Å; C218-L282 HydrophobicContact CB-CD2 3.96Å; L221-L282 HydrophobicContact CB-CB 4.45Å; L221-L282 HydrophobicContact CB-CD1 3.84Å; L221-L282 HydrophobicContact CB-CD2 4.11Å; L221-L282 HydrophobicContact CB-CG 4.35Å; L221-L282 HydrophobicContact CD1-CD1 3.98Å; L282-L285 PolarHBondContact O-N 2.89Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.11Å
283L91.9Very high82.7Confident9 Ų969.6 Ų69.65%0.04738%0.38CS..Hα-helixtrans-71.3-39.1-175.7-57175.4000111.4I216 A225 V271 D281 L286 L287 L363I216-L283 HydrophobicContact CB-CD2 4.07Å; I216-L283 HydrophobicContact CD1-CD2 3.56Å; I216-L283 HydrophobicContact CG1-CD2 4.31Å; I216-L283 HydrophobicContact CG2-CD2 4.13Å; A225-L283 HydrophobicContact CB-CD1 3.91Å; V271-L283 HydrophobicContact CG1-CD1 4.27Å; V271-L283 HydrophobicContact CG1-CD2 4.17Å; D281-L283 PolarHBondContact O-N 3.46Å; D281-L283 WeakPolarHBondContact OD1-CB 3.19Å; D281-L283 PolarHBondContact OD1-N 2.96Å; D281-L283 VanDerWaalsContact OD1-N 3.1Å; L283-L286 PolarHBondContact O-N 3.19Å; L283-L287 VanDerWaalsContact O-CB 3.28Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 PolarHBondContact O-N 3.42Å; L283-L363 HydrophobicContact CB-CD2 4.38Å; L283-L363 HydrophobicContact CD2-CD2 3.98Å
284H88.9Confident82.8Confident83 Ų8375.1 Ų75.138%0.38440%0.399SS..Hα-helixtrans-61.3-47.9172.4-168.686000111.3P280 D281 L286 L287 R288P280-H284 HydrophobicContact CB-CB 4.3Å; D281-H284 PolarHBondContact O-N 3.16Å; D281-H284 PolarHBondContact OD1-N 3.13Å; H284-L286 PolarHBondContact O-N 3.32Å; H284-L287 PolarHBondContact O-N 3.41Å; H284-R288 WeakPolarHBondContact O-CG 3.24Å; H284-R288 PolarHBondContact O-N 2.95Å
285L90.9Very high83.7Confident90 Ų9071.3 Ų71.347%0.47139%0.388SS..Hα-helixtrans-61.3-43.7177.2-71.2172.1000111.8D281 L282 R288 S289D281-L285 PolarHBondContact O-N 3.35Å; D281-L285 VanDerWaalsContact O-N 3.13Å; L282-L285 PolarHBondContact O-N 2.89Å; L285-R288 PolarHBondContact O-N 3.29Å; L285-S289 VanDerWaalsContact O-CB 3.3Å; L285-S289 WeakPolarHBondContact O-CB 3.23Å; L285-S289 PolarHBondContact O-N 3.08Å; L285-S289 PolarHBondContact O-OG 3.26Å
286L93.4Very high84.9Confident8 Ų868.6 Ų68.64%0.04237%0.372CS..Hα-helixtrans-64.1-48.5179.2-172.768000110.8I251 F254 L282 L283 H284 R288 S289 L290 A297 L353 L363I251-L286 HydrophobicContact CD1-CD1 4.25Å; I251-L286 HydrophobicContact CD1-CD2 3.82Å; F254-L286 HydrophobicContact CE1-CD1 3.93Å; F254-L286 HydrophobicContact CZ-CD1 4.42Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.11Å; L283-L286 PolarHBondContact O-N 3.19Å; H284-L286 PolarHBondContact O-N 3.32Å; L286-R288 VanDerWaalsContact C-N 3.35Å; L286-R288 PolarHBondContact O-N 3.42Å; L286-S289 PolarHBondContact O-N 3.22Å; L286-S289 VanDerWaalsContact O-N 3.15Å; L286-L290 HydrophobicContact CD1-CD1 4.13Å; L286-L290 HydrophobicContact CD1-CD2 4.38Å; L286-L290 HydrophobicContact CD1-CG 4.15Å; L286-L290 HydrophobicContact CD2-CD1 4.44Å; L286-L290 HydrophobicContact CG-CD1 3.84Å; L286-L290 HydrophobicContact CG-CG 4.22Å; L286-L290 VanDerWaalsContact O-CG 3.26Å; L286-L290 WeakPolarHBondContact O-CG 3.42Å; L286-L290 PolarHBondContact O-N 3.06Å; L286-A297 HydrophobicContact CD1-CB 4.23Å; L286-L353 HydrophobicContact CD2-CB 4.34Å; L286-L353 HydrophobicContact CD2-CD1 3.77Å; L286-L363 HydrophobicContact CD2-CD1 4.24Å; L286-L363 HydrophobicContact CD2-CD2 4.13Å; L286-L363 HydrophobicContact CG-CD1 4.48Å
287L91.8Very high86.3Confident33 Ų3363.6 Ų63.617%0.17335%0.345CS..Hα-helixtrans-56.2-48.6177.6178.660.9000111.4L283 H284 S289 Q291 H355 L363L283-L287 VanDerWaalsContact O-CB 3.28Å; L283-L287 WeakPolarHBondContact O-CB 3.37Å; L283-L287 PolarHBondContact O-N 3.42Å; H284-L287 PolarHBondContact O-N 3.41Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3.14Å; L287-Q291 WeakPolarHBondContact O-CG 3.33Å; L287-Q291 PolarHBondContact O-N 2.98Å; L287-Q291 VanDerWaalsContact O-N 3.16Å; L287-H355 HydrophobicContact CD1-CB 4.15Å; L287-L363 HydrophobicContact CD1-CB 4.22Å
288R89.1Confident87.9Confident138 Ų13857.3 Ų57.352%0.52130%0.304SS..Hα-helixtrans-64-36.7177.3-70.2-63.2-169.6176.71.5113.1H284 L285 L286 N292H284-R288 WeakPolarHBondContact O-CG 3.24Å; H284-R288 PolarHBondContact O-N 2.95Å; L285-R288 PolarHBondContact O-N 3.29Å; L286-R288 VanDerWaalsContact C-N 3.35Å; L286-R288 PolarHBondContact O-N 3.42Å; R288-N292 PolarHBondContact O-ND2 2.96Å; R288-N292 VanDerWaalsContact O-ND2 3.16Å
289S92.1Very high89.4Confident61 Ų6152.8 Ų52.843%0.42727%0.272SS..Hα-helixtrans-68.8-52.2179.7-590000110.6L285 L286 L287 Q291 N292 T293L285-S289 VanDerWaalsContact O-CB 3.3Å; L285-S289 WeakPolarHBondContact O-CB 3.23Å; L285-S289 PolarHBondContact O-N 3.08Å; L285-S289 PolarHBondContact O-OG 3.26Å; L286-S289 PolarHBondContact O-N 3.22Å; L286-S289 VanDerWaalsContact O-N 3.15Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3.14Å; S289-Q291 VanDerWaalsContact C-N 3.27Å; S289-Q291 PolarHBondContact O-N 2.96Å; S289-N292 PolarHBondContact O-N 2.99Å; S289-T293 PolarHBondContact O-N 3.18Å; S289-T293 PolarHBondContact O-OG1 3.32Å
290L93.1Very high90.7Very high6 Ų648.5 Ų48.53%0.03125%0.249CC..Hα-helixtrans-61.4-34.7-177.8-61.9176.6000112.5F254 L286 N292 K294 T295 A297 H355 L363F254-L290 HydrophobicContact CD1-CD2 4.35Å; F254-L290 HydrophobicContact CE1-CD2 4.44Å; L286-L290 HydrophobicContact CD1-CD1 4.13Å; L286-L290 HydrophobicContact CD1-CD2 4.38Å; L286-L290 HydrophobicContact CD1-CG 4.15Å; L286-L290 HydrophobicContact CD2-CD1 4.44Å; L286-L290 HydrophobicContact CG-CD1 3.84Å; L286-L290 HydrophobicContact CG-CG 4.22Å; L286-L290 VanDerWaalsContact O-CG 3.26Å; L286-L290 WeakPolarHBondContact O-CG 3.42Å; L286-L290 PolarHBondContact O-N 3.06Å; L290-N292 VanDerWaalsContact C-N 3.28Å; L290-N292 PolarHBondContact O-N 3.21Å; L290-K294 PolarHBondContact O-N 3.23Å; L290-T295 WeakPolarHBondContact CD2-O 3.24Å; L290-A297 HydrophobicContact CD2-CB 4.48Å; L290-H355 HydrophobicContact CB-CB 4.12Å; L290-L363 HydrophobicContact CD1-CD1 3.86Å
291Q88.6Confident91.6Very high48 Ų4844.9 Ų44.922%0.22423%0.226CC..Hα-helixtrans-55.7-41.3171.6-80.4170.6-3.400113.1L287 S289 H355 S361L287-Q291 WeakPolarHBondContact O-CG 3.33Å; L287-Q291 PolarHBondContact O-N 2.98Å; L287-Q291 VanDerWaalsContact O-N 3.16Å; S289-Q291 VanDerWaalsContact C-N 3.27Å; S289-Q291 PolarHBondContact O-N 2.96Å; Q291-H355 HydrophobicContact CG-CB 4.38Å; Q291-S361 PolarHBondContact NE2-OG 3.17Å
292N88Confident91.9Very high133 Ų13345.7 Ų45.771%0.71123%0.228SC*.Hα-helixtrans-89.6-28.9-172.4-69.5-28.5000112.8R288 S289 L290R288-N292 PolarHBondContact O-ND2 2.96Å; R288-N292 VanDerWaalsContact O-ND2 3.16Å; S289-N292 PolarHBondContact O-N 2.99Å; L290-N292 VanDerWaalsContact C-N 3.28Å; L290-N292 PolarHBondContact O-N 3.21Å
293T87.7Confident91.6Very high75 Ų7545.5 Ų45.546%0.4623%0.226SC..Hα-helixtrans-97.4-8.3-170.154.10000114.4S289 T295S289-T293 PolarHBondContact O-N 3.18Å; S289-T293 PolarHBondContact O-OG1 3.32Å; T293-T295 WeakPolarHBondContact O-CG2 3.3Å; T293-T295 PolarHBondContact O-N 3.13Å; T293-T295 VanDerWaalsContact O-N 3.17Å; T293-T295 PolarHBondContact OG1-OG1 3.09Å
294K86.5Confident91Very high158 Ų15845.9 Ų45.969%0.68723%0.229SC*.  trans50.933.6-171.1-59.6-178.1179.9177.20112.6N256 L257 L290N256-K294 PolarHBondContact OD1-O 2.87Å; L257-K294 VanDerWaalsContact CB-O 3.27Å; L257-K294 WeakPolarHBondContact CB-O 3.5Å; L257-K294 PolarHBondContact N-O 2.64Å; L290-K294 PolarHBondContact O-N 3.23Å
295T92.9Very high90.2Very high34 Ų3445 Ų4521%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-108166.5178.257.40000111.1L255 L290 T293L255-T295 CarbonylContact O-C 3.57Å; L255-T295 WeakPolarHBondContact O-CA 3.24Å; L255-T295 WeakPolarHBondContact O-CB 3.5Å; L290-T295 WeakPolarHBondContact CD2-O 3.24Å; T293-T295 WeakPolarHBondContact O-CG2 3.3Å; T293-T295 PolarHBondContact O-N 3.13Å; T293-T295 VanDerWaalsContact O-N 3.17Å; T293-T295 PolarHBondContact OG1-OG1 3.09Å
296V95.4Very high88.9Confident1 Ų144.9 Ų44.91%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-120.5148.8169.7-610000108.5F254 L255 L257 L260 Y352 L353 H354F254-V296 VanDerWaalsContact CA-O 3.25Å; F254-V296 WeakPolarHBondContact CA-O 3.38Å; L255-V296 HydrophobicContact CB-CG2 3.98Å; L255-V296 PolarHBondContact N-O 3.2Å; L255-V296 PolarHBondContact O-N 3.05Å; L257-V296 HydrophobicContact CD1-CG1 3.66Å; L260-V296 HydrophobicContact CB-CG2 4.16Å; L260-V296 HydrophobicContact CD2-CB 4.28Å; L260-V296 HydrophobicContact CD2-CG1 4.16Å; L260-V296 HydrophobicContact CD2-CG2 3.73Å; L260-V296 HydrophobicContact CG-CG2 4.45Å; V296-Y352 HydrophobicContact CB-CD2 4.26Å; V296-Y352 HydrophobicContact CG1-CD2 4.26Å; V296-L353 WeakPolarHBondContact CA-O 3.4Å; V296-H354 HydrophobicContact CG1-CB 3.84Å
297A97Very high86.7Confident0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-99.8111.8175.700000109.4I251 G253 F254 L286 L290 Y352 L353I251-A297 HydrophobicContact CD1-CB 4.07Å; I251-A297 HydrophobicContact CG1-CB 4.38Å; I251-A297 HydrophobicContact CG2-CB 3.88Å; G253-A297 CarbonylContact O-C 3.58Å; G253-A297 WeakPolarHBondContact O-CA 3.39Å; F254-A297 HydrophobicContact CD1-CB 3.7Å; F254-A297 HydrophobicContact CE1-CB 3.49Å; F254-A297 VanDerWaalsContact CE1-CB 3.49Å; F254-A297 HydrophobicContact CZ-CB 4.35Å; L286-A297 HydrophobicContact CD1-CB 4.23Å; L290-A297 HydrophobicContact CD2-CB 4.48Å; A297-Y352 CarbonylContact O-C 3.58Å; A297-Y352 WeakPolarHBondContact O-CA 3.14Å; A297-L353 HydrophobicContact CB-CB 4.21Å; A297-L353 PolarHBondContact N-O 3.42Å; A297-L353 PolarHBondContact O-N 2.84Å
298M97.4Very high84.4Confident1 Ų155.5 Ų55.51%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-74.5136.5178.1-63.9-64.3-66.600110.1I251 F252 G253 L255 L260 F368 F381I251-M298 WeakPolarHBondContact CA-O 3.27Å; F252-M298 HydrophobicContact CD1-CB 4.49Å; F252-M298 HydrophobicContact CD2-CB 4.24Å; F252-M298 HydrophobicContact CE1-CB 3.91Å; F252-M298 HydrophobicContact CE2-CB 3.62Å; F252-M298 HydrophobicContact CE2-CG 4.49Å; F252-M298 HydrophobicContact CZ-CB 3.45Å; F252-M298 VanDerWaalsContact CZ-CB 3.45Å; F252-M298 HydrophobicContact CZ-CE 4.27Å; F252-M298 HydrophobicContact CZ-CG 4.42Å; F252-M298 PolarHBondContact N-O 3.21Å; G253-M298 PolarHBondContact O-N 3.02Å; L255-M298 HydrophobicContact CD1-CE 4.42Å; L255-M298 HydrophobicContact CD1-CG 3.6Å; L255-M298 HydrophobicContact CD1-SD 3.81Å; L255-M298 HydrophobicContact CG-CG 3.86Å; L260-M298 HydrophobicContact CD1-SD 4.04Å; M298-F368 HydrophobicContact CE-CE2 3.96Å; M298-F368 HydrophobicContact CE-CZ 4.4Å; M298-F381 HydrophobicContact CE-CD1 4.19Å; M298-F381 HydrophobicContact CE-CE1 3.84Å; M298-F381 HydrophobicContact CE-CZ 4.31Å
299C96.5Very high81.6Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-139.6148.9-173.8630000114.4V249 E250 I251 F252 H350 G351V249-C299 HydrophobicContact CG1-CB 3.62Å; E250-C299 CarbonylContact O-C 3.58Å; E250-C299 WeakPolarHBondContact O-CA 3.33Å; E250-C299 WeakPolarHBondContact O-CB 3.12Å; I251-C299 HydrophobicContact CG1-CB 4.4Å; F252-C299 VanDerWaalsContact CE1-C 3.5Å; C299-H350 WeakPolarHBondContact O-CA 3.31Å; C299-G351 PolarHBondContact N-O 3.19Å; C299-G351 PolarHBondContact O-N 3.3Å; C299-G351 PolarHBondContact SG-O 3.31Å; C299-G351 VanDerWaalsContact SG-O 3.42Å
300N95Very high78.7Confident27 Ų2757.7 Ų57.714%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-95.3139.6165.1-66.3-23.5000108.8V249 E250 F252 Y302 L347 H350V249-N300 CarbonylContact C-O 3.53Å; V249-N300 WeakPolarHBondContact CA-O 3.48Å; E250-N300 PolarHBondContact N-O 3.34Å; E250-N300 PolarHBondContact O-N 3.06Å; F252-N300 WeakPolarHBondContact CD1-OD1 3.49Å; F252-N300 VanDerWaalsContact CE1-OD1 3.3Å; F252-N300 WeakPolarHBondContact CE1-OD1 3.45Å; N300-Y302 HydrophobicContact CB-CD2 4.28Å; N300-Y302 HydrophobicContact CB-CE2 3.41Å; N300-Y302 VanDerWaalsContact CB-CE2 3.41Å; N300-Y302 WeakPolarHBondContact CB-OH 3.44Å; N300-Y302 PolarHBondContact ND2-OH 3.48Å; N300-L347 HydrophobicContact CB-CD1 3.92Å; N300-H350 PolarHBondContact OD1-CE1 3.08Å; N300-H350 PolarHBondContact OD1-ND1 3.23Å
301I92.3Very high75.7Confident2 Ų265.9 Ų65.91%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-116.2119.4-179.2-54.3159.5000107.6V249 W348 S349 L365 V367V249-I301 HydrophobicContact CG2-CG1 4.39Å; V249-I301 HydrophobicContact CG2-CG2 4.43Å; I301-W348 HydrophobicContact CB-CE3 3.9Å; I301-W348 HydrophobicContact CB-CZ3 4.47Å; I301-W348 HydrophobicContact CD1-CE3 4.23Å; I301-W348 HydrophobicContact CD1-CZ3 4.01Å; I301-W348 HydrophobicContact CG2-CE3 3.57Å; I301-W348 HydrophobicContact CG2-CZ3 4.09Å; I301-W348 WeakPolarHBondContact O-CA 3.45Å; I301-W348 WeakPolarHBondContact O-CB 3.08Å; I301-W348 PolarHBondContact O-N 2.94Å; I301-S349 PolarHBondContact N-O 3.05Å; I301-S349 PolarHBondContact O-N 3.31Å; I301-L365 HydrophobicContact CD1-CD1 4.45Å; I301-L365 HydrophobicContact CD1-CD2 4.47Å; I301-V367 HydrophobicContact CD1-CB 4.11Å; I301-V367 HydrophobicContact CD1-CG1 3.65Å; I301-V367 HydrophobicContact CD1-CG2 3.48Å; I301-V367 VanDerWaalsContact CD1-CG2 3.48Å
302Y89.3Confident72.7Confident40 Ų4068.5 Ų68.516%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-111.7144-178-58.5-87.7000110.8L247 C248 E250 N300 H345 T346 L347L247-Y302 WeakPolarHBondContact CA-O 3.25Å; C248-Y302 PolarHBondContact N-O 2.8Å; C248-Y302 PolarHBondContact O-N 3.37Å; E250-Y302 HydrophobicContact CB-CD2 4.39Å; E250-Y302 HydrophobicContact CB-CE2 3.92Å; E250-Y302 WeakPolarHBondContact OE2-CE2 3.21Å; N300-Y302 HydrophobicContact CB-CD2 4.28Å; N300-Y302 HydrophobicContact CB-CE2 3.41Å; N300-Y302 VanDerWaalsContact CB-CE2 3.41Å; N300-Y302 WeakPolarHBondContact CB-OH 3.44Å; N300-Y302 PolarHBondContact ND2-OH 3.48Å; Y302-H345 HydrophobicContact CD1-CB 4.29Å; Y302-T346 CarbonylContact C-O 3.54Å; Y302-T346 VanDerWaalsContact CA-O 3.31Å; Y302-T346 WeakPolarHBondContact CA-O 3.23Å; Y302-L347 HydrophobicContact CD1-CB 4Å; Y302-L347 HydrophobicContact CD1-CD1 4.13Å; Y302-L347 HydrophobicContact CE1-CB 3.82Å; Y302-L347 HydrophobicContact CE1-CD1 3.71Å; Y302-L347 HydrophobicContact CE1-CG 4.36Å
303I85Confident69.8Low8 Ų868.9 Ų68.94%0.04137%0.365CS..EExtended strand (participates in β ladder)trans-91.4124164.9-58.5140.9000107.5F236 T237 L242 K245 L247 T346 W348F236-I303 WeakPolarHBondContact O-CD1 3.36Å; T237-I303 HydrophobicContact CG2-CD1 3.62Å; T237-I303 HydrophobicContact CG2-CG1 4Å; T237-I303 HydrophobicContact CG2-CG2 4.3Å; L242-I303 HydrophobicContact CD1-CG2 4.12Å; K245-I303 HydrophobicContact CB-CG2 4.15Å; K245-I303 HydrophobicContact CD-CG2 3.77Å; K245-I303 HydrophobicContact CG-CG2 4.44Å; L247-I303 HydrophobicContact CD2-CG1 4.26Å; I303-T346 PolarHBondContact N-O 2.68Å; I303-T346 PolarHBondContact O-N 3.15Å; I303-W348 HydrophobicContact CD1-CB 3.66Å; I303-W348 HydrophobicContact CD1-CG 4.03Å; I303-W348 HydrophobicContact CG1-CB 3.96Å; I303-W348 HydrophobicContact CG1-CG 4.44Å
304V80.9Confident67.1Low17 Ų1773 Ų7310%0.10338%0.384CS..EExtended strand (participates in β ladder)trans-100.2120.1178.3-177.50000109.2K245 S246 C248 N344K245-V304 WeakPolarHBondContact CA-O 3.42Å; K245-V304 WeakPolarHBondContact CB-O 3.29Å; S246-V304 PolarHBondContact N-O 2.83Å; S246-V304 PolarHBondContact O-N 3.04Å; S246-V304 WeakPolarHBondContact OG-CB 3.4Å; C248-V304 HydrophobicContact CB-CG2 3.71Å; V304-N344 WeakPolarHBondContact CA-O 3.28Å
305M71.1Confident64.2Low65 Ų6570.7 Ų70.732%0.3239%0.388SS..PPolyproline II helixtrans-90.8119.5174.9-56.5-158-163.200110.1L239 K245 N307 N344L239-M305 HydrophobicContact CD1-CE 4.28Å; K245-M305 HydrophobicContact CD-CG 4.28Å; M305-N307 PolarHBondContact O-N 3.4Å; M305-N344 PolarHBondContact N-O 3.14Å
306N62.8Low61Low87 Ų8774 Ų7447%0.46541%0.413SS..  trans-77.5109170.9-78.1-6.9000109.3K244 Q308K244-N306 PolarHBondContact O-ND2 2.85Å; N306-Q308 PolarHBondContact O-N 3.38Å
307N48.3Very low57.8Low113 Ų11380 Ų8060%0.60445%0.45SS*.  trans-74.173.2170.2-70.9-12.7000110.2M305 S309 N344M305-N307 PolarHBondContact O-N 3.4Å; N307-S309 PolarHBondContact O-N 2.9Å; N307-N344 PolarHBondContact ND2-OD1 3.35Å; N307-N344 VanDerWaalsContact ND2-OD1 3.14Å
308Q42.8Very low54.6Low152 Ų15288.4 Ų88.471%0.7149%0.492SS*.  trans-86.370.4165.2-73.7-172.9-500109.8N306N306-Q308 PolarHBondContact O-N 3.38Å
309S30.7Very low51.4Low98 Ų9892.6 Ų92.669%0.68552%0.522SS*.  trans-16059.2161.366.60000110.8N307N307-S309 PolarHBondContact O-N 2.9Å
310I31Very low48.1Very low146 Ų14698.6 Ų98.675%0.74956%0.558SS**SBendtrans-156.7115.5152.6-83.2125.9000106.7
311Q29.6Very low45.1Very low179 Ų179105.4 Ų105.484%0.83659%0.594SS**  trans69.597.3157.6-66.8170.1800119.1
312S27Very low42.1Very low103 Ų103111.8 Ų111.872%0.7263%0.628SS**  trans-43.2145.7139.150.30000112.3
313N26.9Very low39.3Very low140 Ų140114 Ų11475%0.74965%0.648SS**  trans77.983.7168.4-53.3-12.3000115.3
314N30.5Very low36.8Very low161 Ų161121.4 Ų121.486%0.86168%0.682SS**  -175.7128.2106.5-86.2-21000110.8
315S26.3Very low34.4Very low111 Ų111128.3 Ų128.378%0.77672%0.718SS**  trans-52.2160.7167.4-49.60000112.3
316S25.4Very low32.4Very low103 Ų103130.3 Ų130.372%0.7274%0.738SS**  trans91.9116.9163.272.60000118.2
317T27.3Very low31.1Very low128 Ų128131.6 Ų131.679%0.78575%0.754SS**  trans56110.8138.4530000118.4
318I31.5Very low30.3Very low175 Ų175135.3 Ų135.390%0.89777%0.765SS**  trans-124.9119149.7-62.5-178.1000109.7
319S29.1Very low29.8Very low90 Ų90138.8 Ų138.863%0.62977%0.771SS**  trans-73.5144.3-171.945.70000114.5
320V27.8Very low29.8Very low125 Ų125141.1 Ų141.176%0.75878%0.776SS**  -0.7120.8130-172.80000114.3
321L32.3Very low29.7Very low171 Ų171142 Ų14290%0.89578%0.782SS**  trans-108.3110.7166.4-88.2157.2000109.1
322D28.9Very low29.6Very low136 Ų136141.6 Ų141.673%0.72778%0.78SS**  trans-61.1146.7173.6-78.1-42.3000113.3
323P30.6Very low29.6Very low87 Ų87144.3 Ų144.357%0.56578%0.781SS**  trans-105.185.2170.336.7-25.1000111.2
324H31.7Very low29.6Very low163 Ų163145.1 Ų145.176%0.75578%0.78SS**  trans-139.391.6164.2-74.3-56.6000111.2
325N31.2Very low29.3Very low162 Ų162146.4 Ų146.487%0.86678%0.781SS**  trans-170.8100.7133.3-103.1-27.5000111.6
326S28.9Very low29.3Very low107 Ų107149.8 Ų149.875%0.74879%0.785SS**  trans-60.4129.3154.648.80000110.4
327S34.7Very low29.4Very low113 Ų113153.9 Ų153.979%0.7979%0.792SS**  trans-178.8111.4141.7-82.30000112.7
328K31.5Very low29.4Very low192 Ų192154 Ų15484%0.83580%0.798SS**  trans26.7120.3138.5-65175.5175.6175.80117.9
329R32.8Very low29.3Very low224 Ų224148.4 Ų148.485%0.84578%0.784SS**  172128.5110.4-92.1166.7-157177.56.8112.8
330N31.1Very low29.4Very low147 Ų147153.8 Ų153.879%0.78680%0.796SS**  trans81.2114.5140.7-60.6-12.2000121
331L29.4Very low29.8Very low166 Ų166154.5 Ų154.587%0.86980%0.796SS**  trans-62.5142.1153.5-69.1106000111.2
332Q26.3Very low30.4Very low170 Ų170149.2 Ų149.279%0.79477%0.773SS**  trans139.9137.1141-80.7-179.313.300109.7
333Q28.3Very low31.5Very low159 Ų159148.7 Ų148.774%0.74378%0.777SS**  trans75.1136.4177-54169.934.300111.7
334Q26.7Very low33.4Very low158 Ų158147.4 Ų147.474%0.73877%0.766SS**  cis-166.21585-108.6153.210.600105.7
335Q24.6Very low35.6Very low187 Ų187143.2 Ų143.287%0.87475%0.746SS**  trans-30.4142.5154.4-67.6161.68.500113
336Q25.9Very low38.1Very low183 Ų183138.9 Ų138.986%0.85573%0.725SS**  trans96.897.7179.8-59172.6900115.1
337Q27.7Very low40.9Very low188 Ų188137.6 Ų137.688%0.87971%0.71SS**  trans-178.664.8142.7-100.7164.949.600111.8
338S27.2Very low43.2Very low130 Ų130132.5 Ų132.591%0.90967%0.673SS**  trans-90.396.3151.857.10000107.1
339G28.4Very low46Very low59 Ų59123.4 Ų123.461%0.60863%0.634SS**  trans16048.6-179.400000115.9N341G339-N341 PolarHBondContact O-N 2.88Å
340K31.8Very low48.9Very low202 Ų202113.9 Ų113.988%0.87860%0.599SS**  trans-88.174.4151.5-82.6-176.5177.9175.90108S342K340-S342 PolarHBondContact O-N 3.42Å
341N36.3Very low52Low141 Ų141106.9 Ų106.975%0.75456%0.562SS**  trans-65.493.8156.8-75.5-12.2000106.1G339G339-N341 PolarHBondContact O-N 2.88Å
342S44.6Very low55.2Low60 Ų6099.8 Ų99.842%0.4252%0.523SS..  trans-53.8123.4157510000106.1K340 N344 H345K340-S342 PolarHBondContact O-N 3.42Å; S342-N344 PolarHBondContact O-N 2.89Å; S342-H345 PolarHBondContact O-N 2.72Å; S342-H345 VanDerWaalsContact O-N 3.17Å
343P51.4Low58.6Low124 Ų12491.7 Ų91.781%0.80549%0.485SS*.THydrogen-bonded Turntrans-62.10.5-159.319.4-31.9000116.2
344N72Confident61.7Low61 Ų6185.1 Ų85.133%0.32646%0.455SS..THydrogen-bonded Turntrans-119.4-5.7-175.1-61.4-10.8000114.6V304 M305 N307 S342V304-N344 WeakPolarHBondContact CA-O 3.28Å; M305-N344 PolarHBondContact N-O 3.14Å; N307-N344 PolarHBondContact ND2-OD1 3.35Å; N307-N344 VanDerWaalsContact ND2-OD1 3.14Å; S342-N344 PolarHBondContact O-N 2.89Å
345H76.6Confident64.9Low75 Ų7579.7 Ų79.735%0.34743%0.429SS..EExtended strand (participates in β ladder)trans-112.7123.4-176.3-62.4-178.9000110.7Y302 S342Y302-H345 HydrophobicContact CD1-CB 4.29Å; S342-H345 PolarHBondContact O-N 2.72Å; S342-H345 VanDerWaalsContact O-N 3.17Å
346T83.9Confident67.9Low70 Ų7073 Ų7343%0.42940%0.399SS..EExtended strand (participates in β ladder)trans-112.3123.9171.6-57.70000109Y302 I303 W348Y302-T346 CarbonylContact C-O 3.54Å; Y302-T346 VanDerWaalsContact CA-O 3.31Å; Y302-T346 WeakPolarHBondContact CA-O 3.23Å; I303-T346 PolarHBondContact N-O 2.68Å; I303-T346 PolarHBondContact O-N 3.15Å; T346-W348 PolarHBondContact O-N 3.23Å
347L87.2Confident70.4Confident80 Ų8069.8 Ų69.842%0.41939%0.388SS..EExtended strand (participates in β ladder)trans-61.4124.9174.3-179.667.4000108.6N300 Y302N300-L347 HydrophobicContact CB-CD1 3.92Å; Y302-L347 HydrophobicContact CD1-CB 4Å; Y302-L347 HydrophobicContact CD1-CD1 4.13Å; Y302-L347 HydrophobicContact CE1-CB 3.82Å; Y302-L347 HydrophobicContact CE1-CD1 3.71Å; Y302-L347 HydrophobicContact CE1-CG 4.36Å
348W83.8Confident72.3Confident6 Ų667.2 Ų67.22%0.02338%0.377CS..EExtended strand (participates in β ladder)trans-97.1-57.8177.4172.454.3000111.7W111 F236 I301 I303 T346 V367 R370W111-W348 HydrophobicContact CD2-CH2 4Å; W111-W348 HydrophobicContact CD2-CZ2 4.2Å; W111-W348 AromaticContact CE2-CH2 3.92Å; W111-W348 AromaticContact CE2-CZ2 3.77Å; W111-W348 HydrophobicContact CE3-CH2 4.21Å; W111-W348 HydrophobicContact CH2-CH2 4.2Å; W111-W348 AromaticContact CZ2-CH2 3.98Å; W111-W348 HydrophobicContact CZ2-CH2 3.98Å; W111-W348 AromaticContact CZ2-CZ2 3.95Å; W111-W348 HydrophobicContact CZ2-CZ2 3.95Å; W111-W348 HydrophobicContact CZ3-CH2 4.39Å; W111-W348 AromaticContact NE1-CZ2 3.94Å; F236-W348 HydrophobicContact CB-CZ2 4.36Å; F236-W348 AromaticContact CD1-CD2 3.58Å; F236-W348 HydrophobicContact CD1-CD2 3.58Å; F236-W348 AromaticContact CD1-CE2 3.59Å; F236-W348 AromaticContact CD1-CE3 3.51Å; F236-W348 HydrophobicContact CD1-CE3 3.51Å; F236-W348 HydrophobicContact CD1-CG 4.42Å; F236-W348 AromaticContact CD1-CH2 3.42Å; F236-W348 HydrophobicContact CD1-CH2 3.42Å; F236-W348 VanDerWaalsContact CD1-CH2 3.42Å; F236-W348 AromaticContact CD1-CZ2 3.5Å; F236-W348 HydrophobicContact CD1-CZ2 3.5Å; F236-W348 AromaticContact CD1-CZ3 3.43Å; F236-W348 HydrophobicContact CD1-CZ3 3.43Å; F236-W348 VanDerWaalsContact CD1-CZ3 3.43Å; F236-W348 HydrophobicContact CD2-CH2 4.28Å; F236-W348 HydrophobicContact CD2-CZ2 4.1Å; F236-W348 HydrophobicContact CE1-CD2 4.05Å; F236-W348 AromaticContact CE1-CE3 3.52Å; F236-W348 HydrophobicContact CE1-CE3 3.52Å; F236-W348 AromaticContact CE1-CH2 3.02Å; F236-W348 HydrophobicContact CE1-CH2 3.02Å; F236-W348 AromaticContact CE1-CZ2 3.63Å; F236-W348 HydrophobicContact CE1-CZ2 3.63Å; F236-W348 AromaticContact CE1-CZ3 2.96Å; F236-W348 HydrophobicContact CE1-CZ3 2.96Å; F236-W348 AromaticContact CE2-CH2 3.86Å; F236-W348 HydrophobicContact CE2-CH2 3.86Å; F236-W348 HydrophobicContact CE2-CZ2 4.09Å; F236-W348 HydrophobicContact CG-CD2 4.34Å; F236-W348 AromaticContact CG-CE2 3.93Å; F236-W348 HydrophobicContact CG-CH2 4.05Å; F236-W348 AromaticContact CG-CZ2 3.77Å; F236-W348 HydrophobicContact CG-CZ2 3.77Å; F236-W348 HydrophobicContact CG-CZ3 4.46Å; F236-W348 AromaticContact CZ-CH2 3.22Å; F236-W348 HydrophobicContact CZ-CH2 3.22Å; F236-W348 AromaticContact CZ-CZ2 3.87Å; F236-W348 HydrophobicContact CZ-CZ2 3.87Å; F236-W348 AromaticContact CZ-CZ3 3.61Å; F236-W348 HydrophobicContact CZ-CZ3 3.61Å; F236-W348 PolarHBondContact O-NE1 3.02Å; I301-W348 HydrophobicContact CB-CE3 3.9Å; I301-W348 HydrophobicContact CB-CZ3 4.47Å; I301-W348 HydrophobicContact CD1-CE3 4.23Å; I301-W348 HydrophobicContact CD1-CZ3 4.01Å; I301-W348 HydrophobicContact CG2-CE3 3.57Å; I301-W348 HydrophobicContact CG2-CZ3 4.09Å; I301-W348 WeakPolarHBondContact O-CA 3.45Å; I301-W348 WeakPolarHBondContact O-CB 3.08Å; I301-W348 PolarHBondContact O-N 2.94Å; I303-W348 HydrophobicContact CD1-CB 3.66Å; I303-W348 HydrophobicContact CD1-CG 4.03Å; I303-W348 HydrophobicContact CG1-CB 3.96Å; I303-W348 HydrophobicContact CG1-CG 4.44Å; T346-W348 PolarHBondContact O-N 3.23Å; W348-V367 HydrophobicContact CE3-CG1 4.34Å; W348-V367 HydrophobicContact CH2-CG1 3.59Å; W348-V367 HydrophobicContact CZ3-CB 4.43Å; W348-V367 HydrophobicContact CZ3-CG1 3.37Å; W348-V367 HydrophobicContact CZ3-CG2 4.44Å; W348-R370 WeakPolarHBondContact O-CG 3.08Å
349S90Very high74.5Confident1 Ų171.5 Ų71.51%0.00738%0.38CS..EExtended strand (participates in β ladder)trans-157.7175-178.8-164.50000110.6I301 F368 E369I301-S349 PolarHBondContact N-O 3.05Å; I301-S349 PolarHBondContact O-N 3.31Å; S349-F368 PolarHBondContact OG-O 3.25Å; S349-E369 PolarHBondContact OG-O 3.04Å
350H94.3Very high76.8Confident25 Ų2575.9 Ų75.912%0.11638%0.384CS..EExtended strand (participates in β ladder)trans-103.5161.8169.6-59-83.4000110C299 N300 F368 C372 F381C299-H350 WeakPolarHBondContact O-CA 3.31Å; N300-H350 PolarHBondContact OD1-CE1 3.08Å; N300-H350 PolarHBondContact OD1-ND1 3.23Å; H350-F368 HydrophobicContact CB-CD2 3.84Å; H350-F368 WeakPolarHBondContact O-CB 3.28Å; H350-F368 WeakPolarHBondContact O-CD2 3.3Å; H350-F368 PolarHBondContact O-N 3.2Å; H350-C372 PolarHBondContact CD2-O 3.07Å; H350-F381 HydrophobicContact CB-CD2 3.76Å; H350-F381 HydrophobicContact CB-CE2 3.66Å; H350-F381 AromaticContact CD2-CD2 3.76Å; H350-F381 AromaticContact CG-CD2 3.52Å; H350-F381 AromaticContact CG-CE2 3.92Å; H350-F381 AromaticContact ND1-CD2 3.89Å
351G95.3Very high79.3Confident0 Ų068.6 Ų68.60%036%0.359CS..EExtended strand (participates in β ladder)trans-167.7-167.3176.400000111.7C299 S366C299-G351 PolarHBondContact N-O 3.19Å; C299-G351 PolarHBondContact O-N 3.3Å; C299-G351 PolarHBondContact SG-O 3.31Å; C299-G351 VanDerWaalsContact SG-O 3.42Å; G351-S366 CarbonylContact C-O 3.51Å; G351-S366 WeakPolarHBondContact CA-O 3.43Å
352Y96.9Very high81.8Confident16 Ų1664.4 Ų64.46%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-147.6144.1174.260.6-80.1000111.2L260 P263 V265 V296 A297 H354 S366 F368L260-Y352 HydrophobicContact CD2-CD1 3.8Å; L260-Y352 HydrophobicContact CD2-CD2 3.44Å; L260-Y352 VanDerWaalsContact CD2-CD2 3.44Å; L260-Y352 HydrophobicContact CD2-CE1 3.89Å; L260-Y352 HydrophobicContact CD2-CE2 3.53Å; L260-Y352 HydrophobicContact CD2-CG 3.58Å; P263-Y352 HydrophobicContact CG-CE1 3.74Å; V265-Y352 HydrophobicContact CG1-CE1 3.69Å; V296-Y352 HydrophobicContact CB-CD2 4.26Å; V296-Y352 HydrophobicContact CG1-CD2 4.26Å; A297-Y352 CarbonylContact O-C 3.58Å; A297-Y352 WeakPolarHBondContact O-CA 3.14Å; Y352-H354 HydrophobicContact CD2-CB 4.17Å; Y352-H354 AromaticContact CD2-CD2 3.51Å; Y352-H354 HydrophobicContact CE2-CB 4.36Å; Y352-H354 AromaticContact CE2-CD2 3.24Å; Y352-H354 WeakPolarHBondContact CE2-CD2 3.47Å; Y352-H354 AromaticContact CE2-CG 3.96Å; Y352-H354 AromaticContact CE2-NE2 3.78Å; Y352-S366 VanDerWaalsContact CZ-CB 3.42Å; Y352-S366 PolarHBondContact N-O 2.94Å; Y352-S366 PolarHBondContact O-N 2.83Å; Y352-F368 AromaticContact CD1-CE1 3.78Å; Y352-F368 HydrophobicContact CD1-CE1 3.78Å; Y352-F368 HydrophobicContact CD1-CE2 4.19Å; Y352-F368 AromaticContact CD1-CZ 3.44Å; Y352-F368 HydrophobicContact CD1-CZ 3.44Å; Y352-F368 VanDerWaalsContact CD1-CZ 3.44Å; Y352-F368 AromaticContact CE1-CE1 3.59Å; Y352-F368 HydrophobicContact CE1-CE1 3.59Å; Y352-F368 AromaticContact CE1-CZ 3.74Å; Y352-F368 HydrophobicContact CE1-CZ 3.74Å
353L96.8Very high84.1Confident0 Ų061.9 Ų61.90%032%0.318CS..EExtended strand (participates in β ladder)trans-93.6132.4168.8-68.3162000108.9I216 V249 I251 V271 L286 V296 A297 L363 M364 L365I216-L353 HydrophobicContact CG2-CD1 4.13Å; V249-L353 HydrophobicContact CG1-CD1 4.47Å; I251-L353 HydrophobicContact CD1-CD1 3.75Å; I251-L353 HydrophobicContact CG1-CD1 4.01Å; V271-L353 HydrophobicContact CG2-CD2 3.71Å; L286-L353 HydrophobicContact CD2-CB 4.34Å; L286-L353 HydrophobicContact CD2-CD1 3.77Å; V296-L353 WeakPolarHBondContact CA-O 3.4Å; A297-L353 HydrophobicContact CB-CB 4.21Å; A297-L353 PolarHBondContact N-O 3.42Å; A297-L353 PolarHBondContact O-N 2.84Å; L353-L363 HydrophobicContact CB-CD1 4.42Å; L353-L363 HydrophobicContact CD2-CG 4.42Å; L353-M364 CarbonylContact C-O 3.51Å; L353-M364 VanDerWaalsContact CA-O 3.31Å; L353-M364 WeakPolarHBondContact CA-O 3.45Å; L353-L365 HydrophobicContact CD2-CB 3.72Å; L353-L365 HydrophobicContact CD2-CD1 3.88Å; L353-L365 HydrophobicContact CD2-CG 4.38Å; L353-L365 HydrophobicContact CG-CD1 4.07Å
354H94.9Very high86.1Confident22 Ų2257.4 Ų57.410%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-142.7157.7177.565.699.6000110.7V296 Y352 I356 M364 S366V296-H354 HydrophobicContact CG1-CB 3.84Å; Y352-H354 HydrophobicContact CD2-CB 4.17Å; Y352-H354 AromaticContact CD2-CD2 3.51Å; Y352-H354 HydrophobicContact CE2-CB 4.36Å; Y352-H354 AromaticContact CE2-CD2 3.24Å; Y352-H354 WeakPolarHBondContact CE2-CD2 3.47Å; Y352-H354 AromaticContact CE2-CG 3.96Å; Y352-H354 AromaticContact CE2-NE2 3.78Å; H354-I356 VanDerWaalsContact CE1-CD1 3.41Å; H354-I356 WeakPolarHBondContact CE1-CD1 3.49Å; H354-M364 PolarHBondContact N-O 3.48Å; H354-M364 PolarHBondContact O-N 2.71Å; H354-S366 PolarHBondContact CD2-OG 3.34Å; H354-S366 PolarHBondContact NE2-OG 2.8Å
355H93.1Very high87.1Confident43 Ų4354.6 Ų54.620%0.19927%0.271CS..EExtended strand (participates in β ladder)trans-91.9138.1172.7157.4-105.8000109.4L287 L290 Q291 D357 S361 I362L287-H355 HydrophobicContact CD1-CB 4.15Å; L290-H355 HydrophobicContact CB-CB 4.12Å; Q291-H355 HydrophobicContact CG-CB 4.38Å; H355-D357 VanDerWaalsContact CE1-CB 3.48Å; H355-D357 WeakPolarHBondContact CE1-CB 3.48Å; H355-D357 PolarHBondContact CE1-N 3.08Å; H355-D357 IonicContact CE1-OD1 3.46Å; H355-D357 PolarHBondContact NE2-N 2.79Å; H355-D357 IonicContact NE2-OD1 2.71Å; H355-D357 PolarHBondContact NE2-OD1 2.99Å; H355-S361 WeakPolarHBondContact NE2-CB 3.18Å; H355-S361 PolarHBondContact NE2-OG 2.95Å; H355-I362 WeakPolarHBondContact CA-O 3.37Å
356I87.7Confident87.9Confident48 Ų4851 Ų5125%0.24626%0.255CS..EExtended strand (participates in β ladder)trans-116.3127.4165.1-69163.2000108.2H354 M358 I362 M364H354-I356 VanDerWaalsContact CE1-CD1 3.41Å; H354-I356 WeakPolarHBondContact CE1-CD1 3.49Å; I356-M358 HydrophobicContact CG2-CG 3.86Å; I356-M358 HydrophobicContact CG2-SD 4.49Å; I356-M358 PolarHBondContact O-N 3.44Å; I356-I362 PolarHBondContact N-O 3.14Å; I356-I362 PolarHBondContact O-N 3.32Å; I356-M364 HydrophobicContact CD1-CB 4.23Å; I356-M364 HydrophobicContact CD1-CE 3.26Å; I356-M364 HydrophobicContact CD1-CG 4.49Å; I356-M364 HydrophobicContact CD1-SD 3.43Å; I356-M364 WeakPolarHBondContact CD1-SD 3.34Å
357D78.8Confident88.3Confident115 Ų11547.7 Ų47.762%0.61523%0.234SC*.EExtended strand (participates in β ladder)trans-90.189.2168.5-13829.9000110H355 S361H355-D357 VanDerWaalsContact CE1-CB 3.48Å; H355-D357 WeakPolarHBondContact CE1-CB 3.48Å; H355-D357 PolarHBondContact CE1-N 3.08Å; H355-D357 IonicContact CE1-OD1 3.46Å; H355-D357 PolarHBondContact NE2-N 2.79Å; H355-D357 IonicContact NE2-OD1 2.71Å; H355-D357 PolarHBondContact NE2-OD1 2.99Å; D357-S361 PolarHBondContact OD1-OG 3.05Å
358M68.3Low88.5Confident134 Ų13444 Ų4466%0.6622%0.215SC*.SBendtrans-85.6-168.5154.9-70.2-57.2-146.700108I356 Q360I356-M358 HydrophobicContact CG2-CG 3.86Å; I356-M358 HydrophobicContact CG2-SD 4.49Å; I356-M358 PolarHBondContact O-N 3.44Å; M358-Q360 CarbonylContact C-O 3.59Å; M358-Q360 PolarHBondContact N-O 2.98Å; M358-Q360 CarbonylContact O-C 3.51Å; M358-Q360 PolarHBondContact O-N 2.87Å
359K73Confident88.6Confident219 Ų21948.9 Ų48.995%0.95224%0.238SC*.SBendtrans-47.6-20.4171.8-64-179.2179.6178.40113.9
360Q77.1Confident88.2Confident151 Ų15155.8 Ų55.871%0.70626%0.264SS*.SBendtrans-131.6144.3168.9-65.3175.3-13.700108.8M358 I362M358-Q360 CarbonylContact C-O 3.59Å; M358-Q360 PolarHBondContact N-O 2.98Å; M358-Q360 CarbonylContact O-C 3.51Å; M358-Q360 PolarHBondContact O-N 2.87Å; Q360-I362 PolarHBondContact O-N 2.87Å
361S83Confident87.8Confident49 Ų4962.4 Ų62.434%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-76.2124.4178.2-560000111.7Q291 H355 D357Q291-S361 PolarHBondContact NE2-OG 3.17Å; H355-S361 WeakPolarHBondContact NE2-CB 3.18Å; H355-S361 PolarHBondContact NE2-OG 2.95Å; D357-S361 PolarHBondContact OD1-OG 3.05Å
362I89Confident87.5Confident54 Ų5463.5 Ų63.528%0.27730%0.302SS..EExtended strand (participates in β ladder)trans-122.1136.4-173.8-63165.7000109.4T270 H355 I356 Q360T270-I362 HydrophobicContact CG2-CG2 3.59Å; H355-I362 WeakPolarHBondContact CA-O 3.37Å; I356-I362 PolarHBondContact N-O 3.14Å; I356-I362 PolarHBondContact O-N 3.32Å; Q360-I362 PolarHBondContact O-N 2.87Å
363L93.2Very high87.3Confident7 Ų766.9 Ų66.94%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-87.4126.2168.6-173.266.1000109V271 L283 L286 L287 L290 L353V271-L363 HydrophobicContact CB-CB 4.25Å; V271-L363 HydrophobicContact CB-CD2 4.02Å; V271-L363 HydrophobicContact CB-CG 4.07Å; V271-L363 HydrophobicContact CG1-CD2 3.96Å; V271-L363 HydrophobicContact CG2-CG 4.42Å; V271-L363 PolarHBondContact N-O 2.88Å; L283-L363 HydrophobicContact CB-CD2 4.38Å; L283-L363 HydrophobicContact CD2-CD2 3.98Å; L286-L363 HydrophobicContact CD2-CD1 4.24Å; L286-L363 HydrophobicContact CD2-CD2 4.13Å; L286-L363 HydrophobicContact CG-CD1 4.48Å; L287-L363 HydrophobicContact CD1-CB 4.22Å; L290-L363 HydrophobicContact CD1-CD1 3.86Å; L353-L363 HydrophobicContact CB-CD1 4.42Å; L353-L363 HydrophobicContact CD2-CG 4.42Å
364M93.1Very high87.2Confident30 Ų3067.8 Ų67.815%0.14833%0.334CS..EExtended strand (participates in β ladder)trans-124132.7-177.2-170.2176-70.700111R268 F269 L353 H354 I356R268-M364 HydrophobicContact CB-CG 4.35Å; R268-M364 HydrophobicContact CB-SD 3.81Å; R268-M364 HydrophobicContact CG-SD 4.13Å; F269-M364 CarbonylContact O-C 3.55Å; F269-M364 WeakPolarHBondContact O-CA 3.3Å; F269-M364 WeakPolarHBondContact O-CG 3.34Å; L353-M364 CarbonylContact C-O 3.51Å; L353-M364 VanDerWaalsContact CA-O 3.31Å; L353-M364 WeakPolarHBondContact CA-O 3.45Å; H354-M364 PolarHBondContact N-O 3.48Å; H354-M364 PolarHBondContact O-N 2.71Å; I356-M364 HydrophobicContact CD1-CB 4.23Å; I356-M364 HydrophobicContact CD1-CE 3.26Å; I356-M364 HydrophobicContact CD1-CG 4.49Å; I356-M364 HydrophobicContact CD1-SD 3.43Å; I356-M364 WeakPolarHBondContact CD1-SD 3.34Å
365L94Very high87.1Confident2 Ų267.1 Ų67.11%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-93.5118.3167.8177.164.1000108.6L227 V249 R268 F269 V271 I301 L353 V367L227-L365 HydrophobicContact CD1-CD2 3.93Å; L227-L365 HydrophobicContact CD2-CB 4.38Å; L227-L365 HydrophobicContact CD2-CD2 4.01Å; V249-L365 HydrophobicContact CG1-CD1 4.42Å; V249-L365 HydrophobicContact CG2-CD2 4.24Å; R268-L365 CarbonylContact C-O 3.55Å; R268-L365 WeakPolarHBondContact CA-O 3.47Å; F269-L365 HydrophobicContact CB-CB 4.41Å; F269-L365 PolarHBondContact N-O 3.36Å; F269-L365 PolarHBondContact O-N 3.2Å; V271-L365 HydrophobicContact CG2-CB 3.73Å; I301-L365 HydrophobicContact CD1-CD1 4.45Å; I301-L365 HydrophobicContact CD1-CD2 4.47Å; L353-L365 HydrophobicContact CD2-CB 3.72Å; L353-L365 HydrophobicContact CD2-CD1 3.88Å; L353-L365 HydrophobicContact CD2-CG 4.38Å; L353-L365 HydrophobicContact CG-CD1 4.07Å; L365-V367 HydrophobicContact CD1-CG2 4.24Å; L365-V367 HydrophobicContact CD2-CG2 3.97Å; L365-V367 HydrophobicContact CG-CG2 3.71Å
366S93.2Very high87Confident0 Ų069.5 Ų69.50%035%0.35CS..EExtended strand (participates in β ladder)trans-107.7131.9170.9-62.10000109.3G351 Y352 H354G351-S366 CarbonylContact C-O 3.51Å; G351-S366 WeakPolarHBondContact CA-O 3.43Å; Y352-S366 VanDerWaalsContact CZ-CB 3.42Å; Y352-S366 PolarHBondContact N-O 2.94Å; Y352-S366 PolarHBondContact O-N 2.83Å; H354-S366 PolarHBondContact CD2-OG 3.34Å; H354-S366 PolarHBondContact NE2-OG 2.8Å
367V91.4Very high87.2Confident0 Ų070.3 Ų70.30%035%0.351CS..EExtended strand (participates in β ladder)trans-119.1135.2-169.1178.40000109.9W111 V265 N266 G267 F269 I301 W348 L365W111-V367 HydrophobicContact CE3-CB 4.12Å; W111-V367 HydrophobicContact CE3-CG1 4.28Å; W111-V367 HydrophobicContact CH2-CB 3.69Å; W111-V367 HydrophobicContact CH2-CG1 3.31Å; W111-V367 WeakPolarHBondContact CH2-O 3.46Å; W111-V367 HydrophobicContact CZ2-CG1 4.21Å; W111-V367 HydrophobicContact CZ3-CB 3.29Å; W111-V367 HydrophobicContact CZ3-CG1 3.43Å; W111-V367 VanDerWaalsContact CZ3-CG1 3.43Å; W111-V367 HydrophobicContact CZ3-CG2 4.43Å; W111-V367 VanDerWaalsContact CZ3-O 3.27Å; W111-V367 WeakPolarHBondContact CZ3-O 3.47Å; V265-V367 CarbonylContact C-O 3.59Å; V265-V367 WeakPolarHBondContact CA-O 3.43Å; V265-V367 WeakPolarHBondContact CB-O 3.35Å; N266-V367 PolarHBondContact N-O 2.69Å; G267-V367 PolarHBondContact O-N 2.93Å; F269-V367 HydrophobicContact CD2-CG2 4.09Å; F269-V367 HydrophobicContact CE2-CG2 4.03Å; I301-V367 HydrophobicContact CD1-CB 4.11Å; I301-V367 HydrophobicContact CD1-CG1 3.65Å; I301-V367 HydrophobicContact CD1-CG2 3.48Å; I301-V367 VanDerWaalsContact CD1-CG2 3.48Å; W348-V367 HydrophobicContact CE3-CG1 4.34Å; W348-V367 HydrophobicContact CH2-CG1 3.59Å; W348-V367 HydrophobicContact CZ3-CB 4.43Å; W348-V367 HydrophobicContact CZ3-CG1 3.37Å; W348-V367 HydrophobicContact CZ3-CG2 4.44Å; L365-V367 HydrophobicContact CD1-CG2 4.24Å; L365-V367 HydrophobicContact CD2-CG2 3.97Å; L365-V367 HydrophobicContact CG-CG2 3.71Å
368F91.8Very high87.9Confident1 Ų165.1 Ų65.10%0.00432%0.323CS..  trans-81.6159.7177.3-57.9-50.2000111.7W111 L260 P263 P264 V265 M298 S349 H350 Y352 C372 L375 F381W111-F368 WeakPolarHBondContact CH2-O 3.36Å; L260-F368 HydrophobicContact CD1-CZ 4.33Å; P263-F368 HydrophobicContact CB-CE1 3.68Å; P263-F368 HydrophobicContact CB-CZ 4.36Å; P263-F368 HydrophobicContact CG-CE1 3.69Å; P263-F368 HydrophobicContact CG-CZ 4.21Å; P264-F368 WeakPolarHBondContact O-CD1 3.48Å; V265-F368 HydrophobicContact CG1-CD1 3.96Å; V265-F368 HydrophobicContact CG1-CE1 4Å; M298-F368 HydrophobicContact CE-CE2 3.96Å; M298-F368 HydrophobicContact CE-CZ 4.4Å; S349-F368 PolarHBondContact OG-O 3.25Å; H350-F368 HydrophobicContact CB-CD2 3.84Å; H350-F368 WeakPolarHBondContact O-CB 3.28Å; H350-F368 WeakPolarHBondContact O-CD2 3.3Å; H350-F368 PolarHBondContact O-N 3.2Å; Y352-F368 AromaticContact CD1-CE1 3.78Å; Y352-F368 HydrophobicContact CD1-CE1 3.78Å; Y352-F368 HydrophobicContact CD1-CE2 4.19Å; Y352-F368 AromaticContact CD1-CZ 3.44Å; Y352-F368 HydrophobicContact CD1-CZ 3.44Å; Y352-F368 VanDerWaalsContact CD1-CZ 3.44Å; Y352-F368 AromaticContact CE1-CE1 3.59Å; Y352-F368 HydrophobicContact CE1-CE1 3.59Å; Y352-F368 AromaticContact CE1-CZ 3.74Å; Y352-F368 HydrophobicContact CE1-CZ 3.74Å; F368-C372 HydrophobicContact CB-CB 3.71Å; F368-L375 HydrophobicContact CZ-CD1 4.23Å; F368-F381 AromaticContact CD2-CE2 3.8Å; F368-F381 HydrophobicContact CD2-CE2 3.8Å; F368-F381 AromaticContact CD2-CZ 3.75Å; F368-F381 HydrophobicContact CD2-CZ 3.75Å; F368-F381 HydrophobicContact CE2-CE1 4.36Å; F368-F381 AromaticContact CE2-CE2 4Å; F368-F381 HydrophobicContact CE2-CE2 4Å; F368-F381 AromaticContact CE2-CZ 3.52Å; F368-F381 HydrophobicContact CE2-CZ 3.52Å; F368-F381 HydrophobicContact CZ-CZ 4.31Å
369E85.6Confident89Confident109 Ų10960 Ų6051%0.50930%0.304SS..  trans-51145.3171.3-175.8161.9-145.500111.6S349 E371 C372S349-E369 PolarHBondContact OG-O 3.04Å; E369-E371 PolarHBondContact O-N 3.46Å; E369-C372 HydrophobicContact CB-CB 4.45Å; E369-C372 WeakPolarHBondContact O-CB 3.31Å; E369-C372 PolarHBondContact O-N 3.4Å
370R82.3Confident89.9Confident146 Ų14652.4 Ų52.455%0.55127%0.274SS*.THydrogen-bonded Turntrans-53.1-33.9-172.7-170.2-175.7179.3175.2-0.2113.5W348W348-R370 WeakPolarHBondContact O-CG 3.08Å
371E84.7Confident90.7Very high164 Ų16445.7 Ų45.777%0.76624%0.242SC*.THydrogen-bonded Turntrans-91.2-1.6-177.2-58.8-178.9-179.800112.9E369 T373E369-E371 PolarHBondContact O-N 3.46Å; E371-T373 PolarHBondContact O-N 3.27Å
372C90.5Very high91.2Very high24 Ų2447.5 Ų47.516%0.16226%0.255CS..  trans-71.796.8-179.6-176.20000110.3H350 F368 E369 G374H350-C372 PolarHBondContact CD2-O 3.07Å; F368-C372 HydrophobicContact CB-CB 3.71Å; E369-C372 HydrophobicContact CB-CB 4.45Å; E369-C372 WeakPolarHBondContact O-CB 3.31Å; E369-C372 PolarHBondContact O-N 3.4Å; C372-G374 VanDerWaalsContact C-N 3.34Å; C372-G374 PolarHBondContact SG-O 3.08Å
373T92.8Very high91.3Very high86 Ų8651.9 Ų51.953%0.52827%0.274SS..  trans-88.5-3.9175.4530000113E371 N380 F381E371-T373 PolarHBondContact O-N 3.27Å; T373-N380 PolarHBondContact O-OD1 3.21Å; T373-F381 VanDerWaalsContact C-CD2 3.46Å; T373-F381 WeakPolarHBondContact O-CD2 3.38Å; T373-F381 PolarHBondContact O-N 3.19Å
374G93.2Very high91.3Very high20 Ų2053.7 Ų53.721%0.20628%0.284CS..EExtended strand (participates in β ladder)trans176170.6-176.600000112.3C372 G379C372-G374 VanDerWaalsContact C-N 3.34Å; C372-G374 PolarHBondContact SG-O 3.08Å; G374-G379 CarbonylContact C-O 3.28Å; G374-G379 WeakPolarHBondContact CA-O 3.3Å
375L93.8Very high91.1Very high8 Ų854.5 Ų54.54%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-111.7141.9172.1-64.1173.8000109L260 P263 F368 W377 L378 G379 F381L260-L375 HydrophobicContact CD1-CD1 3.9Å; P263-L375 HydrophobicContact CB-CD1 3.67Å; P263-L375 HydrophobicContact CB-CD2 4.01Å; P263-L375 HydrophobicContact CG-CD1 4.4Å; F368-L375 HydrophobicContact CZ-CD1 4.23Å; L375-W377 HydrophobicContact CB-CD2 4.24Å; L375-W377 HydrophobicContact CB-CZ2 4.26Å; L375-W377 HydrophobicContact CD1-CZ2 3.9Å; L375-W377 HydrophobicContact CD2-CH2 4.44Å; L375-W377 HydrophobicContact CD2-CZ2 4.31Å; L375-W377 HydrophobicContact CG-CZ2 4.39Å; L375-W377 PolarHBondContact O-N 3.31Å; L375-L378 HydrophobicContact CB-CB 4.17Å; L375-L378 HydrophobicContact CB-CD1 4.49Å; L375-L378 HydrophobicContact CB-CG 4.24Å; L375-L378 HydrophobicContact CD1-CD1 3.84Å; L375-L378 HydrophobicContact CD1-CG 4.31Å; L375-L378 CarbonylContact O-C 3.59Å; L375-L378 PolarHBondContact O-N 3.05Å; L375-G379 PolarHBondContact N-O 2.68Å; L375-G379 VanDerWaalsContact N-O 3.13Å; L375-G379 WeakPolarHBondContact O-CA 3.35Å; L375-G379 PolarHBondContact O-N 3.32Å; L375-F381 HydrophobicContact CD1-CE1 4.49Å; L375-F381 HydrophobicContact CG-CE1 4.1Å; L375-F381 HydrophobicContact CG-CZ 3.98Å
376P90.5Very high90.8Very high92 Ų9258.2 Ų58.260%0.59732%0.319SS*.THydrogen-bonded Turntrans-53.6-32.2-177-28.535.1000114.6
377W91.7Very high90.5Very high66 Ų6662 Ų6225%0.2534%0.342CS..THydrogen-bonded Turntrans-92.6-10.1178.557.790.1000114.8D259 L260 P263 L375 F405 P406 V407D259-W377 VanDerWaalsContact O-CD1 3.3Å; D259-W377 PolarHBondContact O-NE1 2.79Å; L260-W377 PolarHBondContact O-NE1 2.87Å; L260-W377 VanDerWaalsContact O-NE1 3.07Å; P263-W377 HydrophobicContact CB-CZ2 4.05Å; L375-W377 HydrophobicContact CB-CD2 4.24Å; L375-W377 HydrophobicContact CB-CZ2 4.26Å; L375-W377 HydrophobicContact CD1-CZ2 3.9Å; L375-W377 HydrophobicContact CD2-CH2 4.44Å; L375-W377 HydrophobicContact CD2-CZ2 4.31Å; L375-W377 HydrophobicContact CG-CZ2 4.39Å; L375-W377 PolarHBondContact O-N 3.31Å; W377-F405 WeakPolarHBondContact O-CD1 3.34Å; W377-P406 HydrophobicContact CB-CB 3.6Å; W377-P406 CarbonylContact O-C 3.57Å; W377-P406 WeakPolarHBondContact O-CA 3.5Å; W377-V407 PolarHBondContact O-N 2.9Å
378L93.2Very high90.1Very high5 Ų567.9 Ų67.93%0.02638%0.378CS..THydrogen-bonded Turntrans-104-18.9171.5-62.9-173.5000112.5L255 L260 L375 F381 F405L255-L378 HydrophobicContact CD1-CD1 3.62Å; L255-L378 HydrophobicContact CD1-CD2 4.34Å; L260-L378 HydrophobicContact CD1-CD1 4.02Å; L375-L378 HydrophobicContact CB-CB 4.17Å; L375-L378 HydrophobicContact CB-CD1 4.49Å; L375-L378 HydrophobicContact CB-CG 4.24Å; L375-L378 HydrophobicContact CD1-CD1 3.84Å; L375-L378 HydrophobicContact CD1-CG 4.31Å; L375-L378 CarbonylContact O-C 3.59Å; L375-L378 PolarHBondContact O-N 3.05Å; L378-F381 HydrophobicContact CD1-CE1 4.41Å; L378-F405 HydrophobicContact CB-CE1 4.3Å; L378-F405 HydrophobicContact CD2-CB 4.24Å; L378-F405 HydrophobicContact CD2-CD1 3.54Å; L378-F405 HydrophobicContact CD2-CD2 3.84Å; L378-F405 HydrophobicContact CD2-CE1 3.77Å; L378-F405 HydrophobicContact CD2-CE2 4.01Å; L378-F405 HydrophobicContact CD2-CG 3.59Å; L378-F405 HydrophobicContact CD2-CZ 3.99Å
379G91.6Very high89.8Confident26 Ų2673.3 Ų73.327%0.26841%0.407SS..EExtended strand (participates in β ladder)trans78.8-165.4-16700000112.5G374 L375G374-G379 CarbonylContact C-O 3.28Å; G374-G379 WeakPolarHBondContact CA-O 3.3Å; L375-G379 PolarHBondContact N-O 2.68Å; L375-G379 VanDerWaalsContact N-O 3.13Å; L375-G379 WeakPolarHBondContact O-CA 3.35Å; L375-G379 PolarHBondContact O-N 3.32Å
380N92.8Very high89.6Confident61 Ų6173.2 Ų73.233%0.32641%0.406SS..EExtended strand (participates in β ladder)trans-69.5131.3175.9-168.9-34.4000109.9T373 S382 H383T373-N380 PolarHBondContact O-OD1 3.21Å; N380-S382 VanDerWaalsContact CG-OG 3.25Å; N380-S382 PolarHBondContact O-N 2.88Å; N380-S382 PolarHBondContact OD1-N 2.96Å; N380-S382 PolarHBondContact OD1-OG 3.26Å; N380-H383 WeakPolarHBondContact O-CB 3.46Å; N380-H383 PolarHBondContact O-N 2.85Å
381F94.3Very high88.9Confident9 Ų971.4 Ų71.44%0.03942%0.422CS..G310 helixtrans-59.8-29.4179.9-60.2-39.6000112.7F252 M298 H350 F368 T373 L375 L378 H383 L384F252-F381 HydrophobicContact CZ-CB 4.48Å; M298-F381 HydrophobicContact CE-CD1 4.19Å; M298-F381 HydrophobicContact CE-CE1 3.84Å; M298-F381 HydrophobicContact CE-CZ 4.31Å; H350-F381 HydrophobicContact CB-CD2 3.76Å; H350-F381 HydrophobicContact CB-CE2 3.66Å; H350-F381 AromaticContact CD2-CD2 3.76Å; H350-F381 AromaticContact CG-CD2 3.52Å; H350-F381 AromaticContact CG-CE2 3.92Å; H350-F381 AromaticContact ND1-CD2 3.89Å; F368-F381 AromaticContact CD2-CE2 3.8Å; F368-F381 HydrophobicContact CD2-CE2 3.8Å; F368-F381 AromaticContact CD2-CZ 3.75Å; F368-F381 HydrophobicContact CD2-CZ 3.75Å; F368-F381 HydrophobicContact CE2-CE1 4.36Å; F368-F381 AromaticContact CE2-CE2 4Å; F368-F381 HydrophobicContact CE2-CE2 4Å; F368-F381 AromaticContact CE2-CZ 3.52Å; F368-F381 HydrophobicContact CE2-CZ 3.52Å; F368-F381 HydrophobicContact CZ-CZ 4.31Å; T373-F381 VanDerWaalsContact C-CD2 3.46Å; T373-F381 WeakPolarHBondContact O-CD2 3.38Å; T373-F381 PolarHBondContact O-N 3.19Å; L375-F381 HydrophobicContact CD1-CE1 4.49Å; L375-F381 HydrophobicContact CG-CE1 4.1Å; L375-F381 HydrophobicContact CG-CZ 3.98Å; L378-F381 HydrophobicContact CD1-CE1 4.41Å; F381-H383 PolarHBondContact O-N 2.75Å; F381-L384 HydrophobicContact CD1-CD1 4.01Å; F381-L384 WeakPolarHBondContact O-CB 3.42Å; F381-L384 PolarHBondContact O-N 3.27Å
382S92.2Very high87.7Confident88 Ų8866.4 Ų66.462%0.61541%0.414SS*.G310 helixtrans-67.8-16.7176.568.90000113.9N380N380-S382 VanDerWaalsContact CG-OG 3.25Å; N380-S382 PolarHBondContact O-N 2.88Å; N380-S382 PolarHBondContact OD1-N 2.96Å; N380-S382 PolarHBondContact OD1-OG 3.26Å
383H91.7Very high86.1Confident146 Ų14670.4 Ų70.468%0.67644%0.442SS*.G310 helixtrans-97.4-3.6178.3-59.8173.3000112.5N380 F381N380-H383 WeakPolarHBondContact O-CB 3.46Å; N380-H383 PolarHBondContact O-N 2.85Å; F381-H383 PolarHBondContact O-N 2.75Å
384L92.1Very high84.6Confident45 Ų4573.3 Ų73.324%0.23645%0.45CS..  trans-71.5130.7171.4-62.9177.6000108.8F252 F381 F405F252-L384 HydrophobicContact CE2-CD1 4.21Å; F381-L384 HydrophobicContact CD1-CD1 4.01Å; F381-L384 WeakPolarHBondContact O-CB 3.42Å; F381-L384 PolarHBondContact O-N 3.27Å; L384-F405 HydrophobicContact CD2-CE1 4.19Å; L384-F405 HydrophobicContact CD2-CZ 3.69Å
385A90.1Very high83.3Confident47 Ų4774.7 Ų74.739%0.38845%0.452SS..  trans-133.2155.9-178.600000110.7D389 F390A385-D389 HydrophobicContact CB-CB 4.47Å; A385-F390 HydrophobicContact CB-CE2 3.88Å; A385-F390 HydrophobicContact CB-CZ 4.08Å
386P88.2Confident82.3Confident79 Ų7977.4 Ų77.451%0.51346%0.463SS..  trans-54.6144.6170.4-24.434.8000111.7T388 D389 F390P386-T388 WeakPolarHBondContact CB-OG1 3.09Å; P386-T388 PolarHBondContact O-N 3.02Å; P386-D389 PolarHBondContact O-N 3.27Å; P386-F390 WeakPolarHBondContact O-CD2 3.35Å
387V85.2Confident81.3Confident79 Ų7974.2 Ų74.248%0.47944%0.44SS..G310 helixtrans-55.9-28.6177.8-178.70000111.8D389 F390 Y396V387-D389 PolarHBondContact O-N 3.26Å; V387-F390 PolarHBondContact O-N 3.17Å; V387-Y396 HydrophobicContact CG2-CD2 3.98Å; V387-Y396 HydrophobicContact CG2-CE2 4.24Å
388T84.4Confident80Confident124 Ų12477.7 Ų77.776%0.76146%0.464SS*.G310 helixtrans-63.5-22178.751.70000114.7P386 F390P386-T388 WeakPolarHBondContact CB-OG1 3.09Å; P386-T388 PolarHBondContact O-N 3.02Å; T388-F390 VanDerWaalsContact C-N 3.28Å
389D85.5Confident78.6Confident115 Ų11586.5 Ų86.562%0.61550%0.502SS*.G310 helixtrans-81.9-13.2-177.5-66.80.8000111.8A385 P386 V387A385-D389 HydrophobicContact CB-CB 4.47Å; P386-D389 PolarHBondContact O-N 3.27Å; V387-D389 PolarHBondContact O-N 3.26Å
390F81.6Confident77.4Confident108 Ų10890.7 Ų90.747%0.47452%0.518SS..SBendtrans-95.1122.3179.8-60.7-86.7000111A385 P386 V387 T388 L395A385-F390 HydrophobicContact CB-CE2 3.88Å; A385-F390 HydrophobicContact CB-CZ 4.08Å; P386-F390 WeakPolarHBondContact O-CD2 3.35Å; V387-F390 PolarHBondContact O-N 3.17Å; T388-F390 VanDerWaalsContact C-N 3.28Å; F390-L395 HydrophobicContact CB-CD1 3.64Å; F390-L395 HydrophobicContact CD1-CD1 4.12Å; F390-L395 HydrophobicContact CD2-CD1 3.62Å; F390-L395 HydrophobicContact CE2-CD1 4.28Å; F390-L395 HydrophobicContact CG-CD1 3.52Å
391A66.9Low76.4Confident108 Ų10896.5 Ų96.589%0.89354%0.543SS*.  trans-82.3122.1173.700000110.9
392G59.5Low75.6Confident58 Ų5899.2 Ų99.260%0.59856%0.561SS**SBendtrans89.6140.1169.200000115
393S56.6Low75.3Confident109 Ų10997 Ų9776%0.76255%0.545SS*.SBendtrans56.5129.5-173.741.30000115.5L395S393-L395 VanDerWaalsContact C-N 3.35Å; S393-L395 PolarHBondContact O-N 2.98Å
394Q61Low75.1Confident147 Ų14792.6 Ų92.669%0.68753%0.53SS*.  trans-56.699.3165.1-84.7168-39.400108.1Y396 D397Q394-Y396 PolarHBondContact O-N 3.35Å; Q394-D397 HydrophobicContact CB-CB 4.46Å
395L67.4Low74.9Confident48 Ų4891.9 Ų91.925%0.25153%0.525SS..SBendtrans-59.8-33.7178.7-70.5174.4000111.1F390 S393 P404F390-L395 HydrophobicContact CB-CD1 3.64Å; F390-L395 HydrophobicContact CD1-CD1 4.12Å; F390-L395 HydrophobicContact CD2-CD1 3.62Å; F390-L395 HydrophobicContact CE2-CD1 4.28Å; F390-L395 HydrophobicContact CG-CD1 3.52Å; S393-L395 VanDerWaalsContact C-N 3.35Å; S393-L395 PolarHBondContact O-N 2.98Å; L395-P404 WeakPolarHBondContact O-CD 3.44Å
396Y72.4Confident74.8Confident66 Ų6694.2 Ų94.226%0.25954%0.536SS..  trans-108.3121.3168.2-71.9-82.8000109.4D259 V387 Q394 T402 P404 F405D259-Y396 VanDerWaalsContact OD2-CE1 3.28Å; D259-Y396 WeakPolarHBondContact OD2-CE1 3.39Å; V387-Y396 HydrophobicContact CG2-CD2 3.98Å; V387-Y396 HydrophobicContact CG2-CE2 4.24Å; Q394-Y396 PolarHBondContact O-N 3.35Å; Y396-T402 WeakPolarHBondContact CA-O 3.48Å; Y396-P404 HydrophobicContact CE1-CG 4.4Å; Y396-P404 HydrophobicContact CE2-CG 3.81Å; Y396-F405 VanDerWaalsContact OH-CD2 3.28Å; Y396-F405 WeakPolarHBondContact OH-CD2 3.44Å; Y396-F405 WeakPolarHBondContact OH-CE2 3.46Å
397D68.1Low74.6Confident25 Ų2593.6 Ų93.613%0.13453%0.53CS..BIsolated β-bridgetrans-133.6100.7167.4-174.3-3.2000108.7Q394 K399 N400 E401 T402Q394-D397 HydrophobicContact CB-CB 4.46Å; D397-K399 PolarHBondContact O-N 2.77Å; D397-K399 VanDerWaalsContact O-N 3.13Å; D397-K399 VanDerWaalsContact OD1-CB 3.29Å; D397-K399 WeakPolarHBondContact OD1-CB 3.42Å; D397-K399 PolarHBondContact OD1-N 3.01Å; D397-N400 HydrophobicContact CB-CB 4.15Å; D397-N400 CarbonylContact O-C 3.48Å; D397-N400 PolarHBondContact O-N 3.13Å; D397-N400 VanDerWaalsContact O-N 3.09Å; D397-N400 VanDerWaalsContact OD2-CG 3.3Å; D397-N400 PolarHBondContact OD2-ND2 2.92Å; D397-E401 WeakPolarHBondContact O-CA 3.13Å; D397-E401 PolarHBondContact O-N 2.97Å; D397-T402 WeakPolarHBondContact CB-OG1 3.38Å; D397-T402 PolarHBondContact N-O 2.98Å; D397-T402 VanDerWaalsContact N-O 3.15Å; D397-T402 PolarHBondContact N-OG1 3.27Å; D397-T402 PolarHBondContact O-N 3.14Å
398D65.1Low74.1Confident139 Ų139100.6 Ų100.674%0.74355%0.548SS*.THydrogen-bonded Turntrans-58.2-24.4177.3-66.8-25.9000112.1
399K64.8Low73.4Confident190 Ų19097.5 Ų97.583%0.82653%0.529SS*.THydrogen-bonded Turntrans-77.8-33.5178.1-61.9-178.5177.5178.30112.5D397D397-K399 PolarHBondContact O-N 2.77Å; D397-K399 VanDerWaalsContact O-N 3.13Å; D397-K399 VanDerWaalsContact OD1-CB 3.29Å; D397-K399 WeakPolarHBondContact OD1-CB 3.42Å; D397-K399 PolarHBondContact OD1-N 3.01Å
400N65.2Low72.4Confident114 Ų11497.9 Ų97.961%0.6154%0.538SS*.THydrogen-bonded Turntrans-101.53.1-178.9-70.8-33.7000112.7D397 T402D397-N400 HydrophobicContact CB-CB 4.15Å; D397-N400 CarbonylContact O-C 3.48Å; D397-N400 PolarHBondContact O-N 3.13Å; D397-N400 VanDerWaalsContact O-N 3.09Å; D397-N400 VanDerWaalsContact OD2-CG 3.3Å; D397-N400 PolarHBondContact OD2-ND2 2.92Å; N400-T402 HydrophobicContact CB-CG2 3.97Å; N400-T402 PolarHBondContact O-N 2.76Å; N400-T402 VanDerWaalsContact O-N 3.13Å
401E72Confident71.7Confident182 Ų18298.7 Ų98.785%0.8555%0.547SS*.THydrogen-bonded Turntrans51.930.3-175.3-59.1-175.5163.700112.9D397D397-E401 WeakPolarHBondContact O-CA 3.13Å; D397-E401 PolarHBondContact O-N 2.97Å
402T78.7Confident71.8Confident66 Ų66100.1 Ų100.141%0.40554%0.535SS..BIsolated β-bridgetrans-88.5127179.559.90000110.1Y396 D397 N400Y396-T402 WeakPolarHBondContact CA-O 3.48Å; D397-T402 WeakPolarHBondContact CB-OG1 3.38Å; D397-T402 PolarHBondContact N-O 2.98Å; D397-T402 VanDerWaalsContact N-O 3.15Å; D397-T402 PolarHBondContact N-OG1 3.27Å; D397-T402 PolarHBondContact O-N 3.14Å; N400-T402 HydrophobicContact CB-CG2 3.97Å; N400-T402 PolarHBondContact O-N 2.76Å; N400-T402 VanDerWaalsContact O-N 3.13Å
403S84.6Confident72.5Confident41 Ų41101.1 Ų101.129%0.28753%0.526SS..  trans-128.4146.8174.3172.70000109.3D259 F405D259-S403 WeakPolarHBondContact OD1-CB 3.44Å; D259-S403 PolarHBondContact OD1-OG 2.86Å; D259-S403 PolarHBondContact OD2-OG 2.81Å; S403-F405 PolarHBondContact O-N 3.19Å; S403-F405 PolarHBondContact OG-N 3.02Å; S403-F405 VanDerWaalsContact OG-N 3.08Å; S403-F405 PolarHBondContact OG-O 2.87Å
404P86.8Confident73.4Confident54 Ų5499.8 Ų99.835%0.35152%0.517SS..SBendtrans-68.4-10.8169.831-35.4000112.5L395 Y396L395-P404 WeakPolarHBondContact O-CD 3.44Å; Y396-P404 HydrophobicContact CE1-CG 4.4Å; Y396-P404 HydrophobicContact CE2-CG 3.81Å
405F89.5Confident74.2Confident31 Ų31100.7 Ų100.714%0.13652%0.515CS..  trans-106.5150.6-179-57.2-58.8000111.5L255 D259 W377 L378 L384 Y396 S403 V407L255-F405 HydrophobicContact CD2-CE2 3.7Å; L255-F405 HydrophobicContact CD2-CZ 4.4Å; D259-F405 HydrophobicContact CB-CB 3.97Å; D259-F405 HydrophobicContact CB-CD2 3.74Å; D259-F405 HydrophobicContact CB-CG 4.21Å; W377-F405 WeakPolarHBondContact O-CD1 3.34Å; L378-F405 HydrophobicContact CB-CE1 4.3Å; L378-F405 HydrophobicContact CD2-CB 4.24Å; L378-F405 HydrophobicContact CD2-CD1 3.54Å; L378-F405 HydrophobicContact CD2-CD2 3.84Å; L378-F405 HydrophobicContact CD2-CE1 3.77Å; L378-F405 HydrophobicContact CD2-CE2 4.01Å; L378-F405 HydrophobicContact CD2-CG 3.59Å; L378-F405 HydrophobicContact CD2-CZ 3.99Å; L384-F405 HydrophobicContact CD2-CE1 4.19Å; L384-F405 HydrophobicContact CD2-CZ 3.69Å; Y396-F405 VanDerWaalsContact OH-CD2 3.28Å; Y396-F405 WeakPolarHBondContact OH-CD2 3.44Å; Y396-F405 WeakPolarHBondContact OH-CE2 3.46Å; S403-F405 PolarHBondContact O-N 3.19Å; S403-F405 PolarHBondContact OG-N 3.02Å; S403-F405 VanDerWaalsContact OG-N 3.08Å; S403-F405 PolarHBondContact OG-O 2.87Å; F405-V407 HydrophobicContact CD1-CG2 3.96Å; F405-V407 HydrophobicContact CE1-CG2 4.09Å
406P87.1Confident74.2Confident96 Ų96102.7 Ų102.762%0.62352%0.522SS*.SBendcis-77.9142.4032.2-36.3000113.5W377 R408W377-P406 HydrophobicContact CB-CB 3.6Å; W377-P406 CarbonylContact O-C 3.57Å; W377-P406 WeakPolarHBondContact O-CA 3.5Å; P406-R408 PolarHBondContact O-N 2.98Å
407V84.8Confident73.5Confident65 Ų65106.7 Ų106.739%0.39455%0.546SS..PPolyproline II helixtrans-60.2122.7167.6-177.40000108.6W377 F405 T409W377-V407 PolarHBondContact O-N 2.9Å; F405-V407 HydrophobicContact CD1-CG2 3.96Å; F405-V407 HydrophobicContact CE1-CG2 4.09Å; V407-T409 PolarHBondContact O-N 3.09Å
408R73.7Confident72.9Confident227 Ų227113.6 Ų113.686%0.85758%0.583SS**PPolyproline II helixtrans-72.3127-179.7-66-176.7-179.9177.90.7109.6P406P406-R408 PolarHBondContact O-N 2.98Å
409T69.2Low72.3Confident59 Ų59108.6 Ų108.636%0.36257%0.565SS.*PPolyproline II helixtrans-65.3139.8167.553.30000109.5V407 D411V407-T409 PolarHBondContact O-N 3.09Å; T409-D411 PolarHBondContact O-N 3.43Å; T409-D411 PolarHBondContact OG1-O 2.95Å
410P64.8Low71.9Confident122 Ų122101.9 Ų101.979%0.79254%0.542SS*.SBendtrans-61.1-33.1177.722.4-30.8000111.6
411D68.1Low71.9Confident126 Ų126106.8 Ų106.867%0.67455%0.551SS**SBendtrans-89130.1177.3-63-36.5000112T409T409-D411 PolarHBondContact O-N 3.43Å; T409-D411 PolarHBondContact OG1-O 2.95Å
412H69.3Low72.2Confident138 Ų138105.5 Ų105.564%0.63954%0.54SS*.PPolyproline II helixtrans-80.3120.8170.9-66-77.8000109.8
413L73.5Confident72.5Confident79 Ų79103 Ų10341%0.41452%0.524SS..PPolyproline II helixtrans-60.5147.2172.2-59.3171.5000110.4Y415 K416L413-Y415 HydrophobicContact CB-CD1 3.96Å; L413-Y415 HydrophobicContact CB-CE1 3.59Å; L413-Y415 HydrophobicContact CD1-CE1 3.71Å; L413-Y415 HydrophobicContact CD1-CE2 4.42Å; L413-Y415 VanDerWaalsContact CD1-CZ 3.48Å; L413-Y415 WeakPolarHBondContact CD1-OH 3.04Å; L413-Y415 HydrophobicContact CG-CE1 4.2Å; L413-Y415 PolarHBondContact O-N 3.03Å; L413-K416 PolarHBondContact O-N 3.04Å
414S75.8Confident72.6Confident81 Ų81103.4 Ų103.457%0.56653%0.527SS*.THydrogen-bonded Turntrans-55.6-29.1-173.355.70000114.4S420S414-S420 WeakPolarHBondContact O-CB 3.23Å
415Y77.1Confident72.8Confident165 Ų165102.6 Ų102.665%0.64752%0.517SS*.THydrogen-bonded Turntrans-89-9-179.362.8-97.9000114.5L413 I417L413-Y415 HydrophobicContact CB-CD1 3.96Å; L413-Y415 HydrophobicContact CB-CE1 3.59Å; L413-Y415 HydrophobicContact CD1-CE1 3.71Å; L413-Y415 HydrophobicContact CD1-CE2 4.42Å; L413-Y415 VanDerWaalsContact CD1-CZ 3.48Å; L413-Y415 WeakPolarHBondContact CD1-OH 3.04Å; L413-Y415 HydrophobicContact CG-CE1 4.2Å; L413-Y415 PolarHBondContact O-N 3.03Å; Y415-I417 PolarHBondContact O-N 3.31Å; Y415-I417 VanDerWaalsContact O-N 3.09Å
416K68.2Low72.8Confident90 Ų90105.9 Ų105.939%0.39155%0.55SS.*  trans-72.4107.6179.5-83.5-170175.21790110.4L413 D418 G419 S420L413-K416 PolarHBondContact O-N 3.04Å; K416-D418 VanDerWaalsContact C-N 3.27Å; K416-D418 PolarHBondContact O-N 3.42Å; K416-G419 PolarHBondContact O-N 3.27Å; K416-S420 VanDerWaalsContact O-CB 3.23Å; K416-S420 WeakPolarHBondContact O-CB 3.4Å; K416-S420 PolarHBondContact O-N 2.97Å; K416-S420 PolarHBondContact O-OG 3.31Å
417I57.2Low73Confident151 Ų151104 Ų10477%0.77454%0.539SS*.THydrogen-bonded Turntrans-61.1-32.3-172.9-61.3171.2000112.5Y415 G419Y415-I417 PolarHBondContact O-N 3.31Å; Y415-I417 VanDerWaalsContact O-N 3.09Å; I417-G419 PolarHBondContact O-N 3.06Å
418D55.5Low73.4Confident170 Ų170108.1 Ų108.191%0.90955%0.554SS**THydrogen-bonded Turntrans-767.8-174.3-73.2-18.9000115.1K416K416-D418 VanDerWaalsContact C-N 3.27Å; K416-D418 PolarHBondContact O-N 3.42Å
419G52.8Low74.3Confident34 Ų34100.9 Ų100.935%0.35154%0.538SS..THydrogen-bonded Turntrans-161-3.1174.100000115K416 I417 R421K416-G419 PolarHBondContact O-N 3.27Å; I417-G419 PolarHBondContact O-N 3.06Å; G419-R421 PolarHBondContact O-N 3.06Å
420S56.3Low75.3Confident49 Ų4999 Ų9934%0.34353%0.529SS..  trans-68.896.3-174.964.40000111.1S414 K416 Y422S414-S420 WeakPolarHBondContact O-CB 3.23Å; K416-S420 VanDerWaalsContact O-CB 3.23Å; K416-S420 WeakPolarHBondContact O-CB 3.4Å; K416-S420 PolarHBondContact O-N 2.97Å; K416-S420 PolarHBondContact O-OG 3.31Å; S420-Y422 PolarHBondContact O-N 2.89Å
421R65.7Low76.6Confident216 Ų21695.8 Ų95.882%0.81550%0.504SS*.  trans-73.44.7160.4-65.4-177.2-123.4-177.80.4111.8G419 V423G419-R421 PolarHBondContact O-N 3.06Å; R421-V423 WeakPolarHBondContact O-CG2 3.21Å; R421-V423 PolarHBondContact O-N 3.39Å
422Y77.6Confident77.8Confident156 Ų15693.5 Ų93.561%0.61249%0.491SS*.  trans-66.8122.5-175.1-166.3-102.1000109.7S420S420-Y422 PolarHBondContact O-N 2.89Å
423V84.3Confident79Confident12 Ų1292.7 Ų92.77%0.07349%0.489CS..  trans-110.6134174.7-174.60000106.1R421 W425 D434 R458 A462 Y466R421-V423 WeakPolarHBondContact O-CG2 3.21Å; R421-V423 PolarHBondContact O-N 3.39Å; V423-W425 HydrophobicContact CG1-CD2 4.08Å; V423-W425 VanDerWaalsContact CG1-CE2 3.42Å; V423-W425 HydrophobicContact CG1-CG 4.2Å; V423-W425 HydrophobicContact CG1-CZ2 3.82Å; V423-D434 WeakPolarHBondContact CG1-OD2 3.33Å; V423-R458 HydrophobicContact CG2-CG 3.84Å; V423-A462 HydrophobicContact CB-CB 3.74Å; V423-A462 HydrophobicContact CG1-CB 3.7Å; V423-A462 HydrophobicContact CG2-CB 3.69Å; V423-Y466 HydrophobicContact CG1-CE2 4.34Å; V423-Y466 PolarHBondContact O-OH 3.22Å
424S87.2Confident79.9Confident50 Ų5090 Ų9035%0.3548%0.476SS..  trans-134.8109.9173.3-1770000108.9A430S424-A430 WeakPolarHBondContact O-CB 3.32Å
425W91.3Very high80.8Confident37 Ų3787 Ų8714%0.1445%0.453CS..  trans-104.430.5175.9-62.6-17.2000111.9V423 S427 M431 D434 L459 A462 A463 Y466 L471V423-W425 HydrophobicContact CG1-CD2 4.08Å; V423-W425 VanDerWaalsContact CG1-CE2 3.42Å; V423-W425 HydrophobicContact CG1-CG 4.2Å; V423-W425 HydrophobicContact CG1-CZ2 3.82Å; W425-S427 PolarHBondContact O-N 2.85Å; W425-M431 HydrophobicContact CB-CB 4.17Å; W425-M431 HydrophobicContact CD2-CB 4.42Å; W425-M431 HydrophobicContact CD2-CG 4.05Å; W425-M431 HydrophobicContact CE3-CG 4.47Å; W425-M431 HydrophobicContact CG-CB 3.91Å; W425-M431 HydrophobicContact CG-CG 4.04Å; W425-D434 PolarHBondContact NE1-OD2 3.35Å; W425-L459 HydrophobicContact CH2-CD2 4.14Å; W425-L459 HydrophobicContact CH2-CG 4.01Å; W425-L459 HydrophobicContact CZ2-CD1 4.39Å; W425-L459 HydrophobicContact CZ2-CD2 4.48Å; W425-L459 HydrophobicContact CZ2-CG 3.88Å; W425-A462 HydrophobicContact CH2-CB 4.04Å; W425-A462 HydrophobicContact CZ2-CB 4.16Å; W425-A463 HydrophobicContact CH2-CB 4.11Å; W425-A463 HydrophobicContact CZ3-CB 4.18Å; W425-Y466 HydrophobicContact CB-CE2 4.21Å; W425-Y466 HydrophobicContact CD2-CD2 4.09Å; W425-Y466 AromaticContact CD2-CE2 3.99Å; W425-Y466 HydrophobicContact CD2-CE2 3.99Å; W425-Y466 AromaticContact CE3-CD2 3.5Å; W425-Y466 HydrophobicContact CE3-CD2 3.5Å; W425-Y466 VanDerWaalsContact CE3-CD2 3.5Å; W425-Y466 AromaticContact CE3-CE2 3.88Å; W425-Y466 HydrophobicContact CE3-CE2 3.88Å; W425-Y466 HydrophobicContact CG-CE2 4.16Å; W425-Y466 AromaticContact CZ3-CD2 3.9Å; W425-Y466 HydrophobicContact CZ3-CD2 3.9Å; W425-L471 HydrophobicContact CE3-CD2 4.24Å; W425-L471 HydrophobicContact CH2-CD2 3.5Å; W425-L471 HydrophobicContact CZ2-CD2 4.34Å; W425-L471 HydrophobicContact CZ3-CD2 3.43Å; W425-L471 VanDerWaalsContact CZ3-CD2 3.43Å
426A89.8Confident81.6Confident100 Ų10083.7 Ų83.783%0.82645%0.446SS*.SBendtrans-63.8-23.7174.400000112.7
427S91.3Very high82.8Confident57 Ų5782.5 Ų82.540%0.39944%0.441SS..SBendtrans-120.2146.4172.370.70000111.1W425 S429 A430 M431W425-S427 PolarHBondContact O-N 2.85Å; S427-S429 PolarHBondContact O-N 3.39Å; S427-A430 PolarHBondContact O-N 2.95Å; S427-A430 WeakPolarHBondContact OG-CB 3.25Å; S427-A430 PolarHBondContact OG-N 3.1Å; S427-M431 PolarHBondContact O-N 3.06Å
428Q92.6Very high84.6Confident152 Ų15275.3 Ų75.371%0.7140%0.404SS*.Hα-helixtrans-58.1-36.4174.8-174.3-178.33.300111.8A430 M431 L432Q428-A430 PolarHBondContact O-N 3.46Å; Q428-M431 PolarHBondContact O-N 3.3Å; Q428-L432 HydrophobicContact CG-CD1 4.05Å; Q428-L432 HydrophobicContact CG-CG 4.34Å; Q428-L432 WeakPolarHBondContact O-CB 3.29Å; Q428-L432 VanDerWaalsContact O-CG 3.32Å; Q428-L432 WeakPolarHBondContact O-CG 3.48Å; Q428-L432 PolarHBondContact O-N 3.3Å
429S92.7Very high86.5Confident74 Ų7468.1 Ų68.152%0.51737%0.366SS..Hα-helixtrans-64.8-40.1179.988.60000111.7S427 L432 M433S427-S429 PolarHBondContact O-N 3.39Å; S429-L432 PolarHBondContact O-N 3.47Å; S429-M433 WeakPolarHBondContact O-CG 3.34Å; S429-M433 PolarHBondContact O-N 3.45Å
430A91.1Very high88.5Confident20 Ų2073.9 Ų73.917%0.16538%0.377CS..Hα-helixtrans-63.6-42.9177.900000112.1S424 S427 Q428 M433 D434S424-A430 WeakPolarHBondContact O-CB 3.32Å; S427-A430 PolarHBondContact O-N 2.95Å; S427-A430 WeakPolarHBondContact OG-CB 3.25Å; S427-A430 PolarHBondContact OG-N 3.1Å; Q428-A430 PolarHBondContact O-N 3.46Å; A430-M433 HydrophobicContact CB-CE 4.28Å; A430-M433 PolarHBondContact O-N 2.87Å; A430-D434 PolarHBondContact O-N 3.47Å
431M91.9Very high90.3Very high55 Ų5572.1 Ų72.127%0.27136%0.363SS..Hα-helixtrans-61.7-46.8173.8-172.5-169.4-175.100111.9W425 S427 Q428 M433 D434 I435 L471W425-M431 HydrophobicContact CB-CB 4.17Å; W425-M431 HydrophobicContact CD2-CB 4.42Å; W425-M431 HydrophobicContact CD2-CG 4.05Å; W425-M431 HydrophobicContact CE3-CG 4.47Å; W425-M431 HydrophobicContact CG-CB 3.91Å; W425-M431 HydrophobicContact CG-CG 4.04Å; S427-M431 PolarHBondContact O-N 3.06Å; Q428-M431 PolarHBondContact O-N 3.3Å; M431-M433 VanDerWaalsContact C-N 3.31Å; M431-M433 PolarHBondContact O-N 3.38Å; M431-D434 PolarHBondContact O-N 2.94Å; M431-I435 HydrophobicContact CE-CD1 4.32Å; M431-I435 HydrophobicContact CG-CD1 4.13Å; M431-I435 WeakPolarHBondContact O-CG1 3.47Å; M431-I435 PolarHBondContact O-N 3.29Å; M431-I435 VanDerWaalsContact O-N 3.1Å; M431-L471 HydrophobicContact CE-CD1 3.48Å; M431-L471 VanDerWaalsContact CE-CD1 3.48Å; M431-L471 HydrophobicContact CE-CD2 3.44Å; M431-L471 VanDerWaalsContact CE-CD2 3.44Å; M431-L471 HydrophobicContact CE-CG 4.03Å
432L93.7Very high91.6Very high77 Ų7761.8 Ų61.840%0.40332%0.324SS..Hα-helixtrans-63.1-34.9177.8-72174.7000112.5Q428 S429 I435 N436Q428-L432 HydrophobicContact CG-CD1 4.05Å; Q428-L432 HydrophobicContact CG-CG 4.34Å; Q428-L432 WeakPolarHBondContact O-CB 3.29Å; Q428-L432 VanDerWaalsContact O-CG 3.32Å; Q428-L432 WeakPolarHBondContact O-CG 3.48Å; Q428-L432 PolarHBondContact O-N 3.3Å; S429-L432 PolarHBondContact O-N 3.47Å; L432-I435 PolarHBondContact O-N 3.04Å; L432-N436 WeakPolarHBondContact O-CB 3.38Å; L432-N436 VanDerWaalsContact O-CG 3.22Å; L432-N436 PolarHBondContact O-N 3.15Å; L432-N436 PolarHBondContact O-ND2 3.28Å
433M92.5Very high92.3Very high121 Ų12162.2 Ų62.260%0.59633%0.325SS*.Hα-helixtrans-61.5-43.1175.2-76.9-170.5-69.700111.9S429 A430 M431 K437S429-M433 WeakPolarHBondContact O-CG 3.34Å; S429-M433 PolarHBondContact O-N 3.45Å; A430-M433 HydrophobicContact CB-CE 4.28Å; A430-M433 PolarHBondContact O-N 2.87Å; M431-M433 VanDerWaalsContact C-N 3.31Å; M431-M433 PolarHBondContact O-N 3.38Å; M433-K437 WeakPolarHBondContact O-CB 3.15Å; M433-K437 PolarHBondContact O-N 3.24Å
434D93Very high92.7Very high24 Ų2468 Ų6813%0.12835%0.345CS..Hα-helixtrans-65.2-45.8177.3-82.7-15000112V423 W425 A430 M431 K437 V438 R458 L459V423-D434 WeakPolarHBondContact CG1-OD2 3.33Å; W425-D434 PolarHBondContact NE1-OD2 3.35Å; A430-D434 PolarHBondContact O-N 3.47Å; M431-D434 PolarHBondContact O-N 2.94Å; D434-K437 WeakPolarHBondContact O-CB 3.4Å; D434-K437 PolarHBondContact O-N 3.29Å; D434-V438 PolarHBondContact O-N 3.28Å; D434-V438 VanDerWaalsContact O-N 3.15Å; D434-R458 VanDerWaalsContact CG-NH2 3.25Å; D434-R458 IonicContact OD1-CZ 3.1Å; D434-R458 IonicContact OD1-NH1 3.89Å; D434-R458 PolarHBondContact OD1-NH1 2.81Å; D434-R458 IonicContact OD1-NH2 2.79Å; D434-R458 PolarHBondContact OD1-NH2 2.88Å; D434-R458 IonicContact OD2-CZ 2.69Å; D434-R458 IonicContact OD2-NH1 3.88Å; D434-R458 PolarHBondContact OD2-NH1 3.19Å; D434-R458 IonicContact OD2-NH2 4Å; D434-L459 HydrophobicContact CB-CD1 4.38Å
435I94.1Very high92.8Very high18 Ų1866.4 Ų66.49%0.09233%0.333CS..Hα-helixtrans-61-50.1176.3-64.1167.5000110.2M431 L432 K437 V438 L439 L471 I475M431-I435 HydrophobicContact CE-CD1 4.32Å; M431-I435 HydrophobicContact CG-CD1 4.13Å; M431-I435 WeakPolarHBondContact O-CG1 3.47Å; M431-I435 PolarHBondContact O-N 3.29Å; M431-I435 VanDerWaalsContact O-N 3.1Å; L432-I435 PolarHBondContact O-N 3.04Å; I435-K437 VanDerWaalsContact C-N 3.27Å; I435-K437 PolarHBondContact O-N 3.3Å; I435-V438 PolarHBondContact O-N 2.92Å; I435-V438 VanDerWaalsContact O-N 3.13Å; I435-L439 HydrophobicContact CG2-CD1 3.92Å; I435-L439 HydrophobicContact CG2-CG 4.2Å; I435-L439 WeakPolarHBondContact O-CG 3.43Å; I435-L439 PolarHBondContact O-N 3.17Å; I435-L471 HydrophobicContact CD1-CD1 4.01Å; I435-I475 HydrophobicContact CG1-CD1 4.14Å; I435-I475 HydrophobicContact CG1-CG1 4.46Å
436N94.6Very high92.6Very high95 Ų9566.8 Ų66.851%0.50834%0.34SS..Hα-helixtrans-61.3-35179.6-77.7-36.7000112.5L432 L439 R440L432-N436 WeakPolarHBondContact O-CB 3.38Å; L432-N436 VanDerWaalsContact O-CG 3.22Å; L432-N436 PolarHBondContact O-N 3.15Å; L432-N436 PolarHBondContact O-ND2 3.28Å; N436-L439 PolarHBondContact O-N 3.31Å; N436-R440 VanDerWaalsContact O-CB 3.25Å; N436-R440 WeakPolarHBondContact O-CB 3.41Å; N436-R440 PolarHBondContact O-N 2.95Å
437K94.1Very high92.7Very high65 Ų6568.4 Ų68.428%0.28334%0.335SS..Hα-helixtrans-61.8-47.2174.8-174.5-179.4-179.5-168.80110.8M433 D434 I435 R440 L441 E455M433-K437 WeakPolarHBondContact O-CB 3.15Å; M433-K437 PolarHBondContact O-N 3.24Å; D434-K437 WeakPolarHBondContact O-CB 3.4Å; D434-K437 PolarHBondContact O-N 3.29Å; I435-K437 VanDerWaalsContact C-N 3.27Å; I435-K437 PolarHBondContact O-N 3.3Å; K437-R440 PolarHBondContact O-N 2.71Å; K437-L441 HydrophobicContact CG-CD1 4.35Å; K437-L441 VanDerWaalsContact O-CG 3.29Å; K437-L441 WeakPolarHBondContact O-CG 3.5Å; K437-L441 PolarHBondContact O-N 2.99Å; K437-E455 HydrophobicContact CD-CG 4.32Å; K437-E455 WeakPolarHBondContact CE-OE1 3.43Å; K437-E455 WeakPolarHBondContact CE-OE2 3.4Å; K437-E455 IonicContact NZ-OE1 2.78Å; K437-E455 PolarHBondContact NZ-OE1 3.21Å; K437-E455 IonicContact NZ-OE2 3.49Å; K437-E455 PolarHBondContact NZ-OE2 2.81Å
438V94.5Very high92.7Very high0 Ų069.4 Ų69.40%033%0.332CS..Hα-helixtrans-63.3-47.2176.3171.10000111.1D434 I435 R440 L441 S442 L452 E455 L456 L459 I475 I479D434-V438 PolarHBondContact O-N 3.28Å; D434-V438 VanDerWaalsContact O-N 3.15Å; I435-V438 PolarHBondContact O-N 2.92Å; I435-V438 VanDerWaalsContact O-N 3.13Å; V438-R440 VanDerWaalsContact C-N 3.33Å; V438-R440 PolarHBondContact O-N 3.29Å; V438-L441 PolarHBondContact O-N 3.36Å; V438-L441 VanDerWaalsContact O-N 3.15Å; V438-S442 PolarHBondContact O-N 3.32Å; V438-L452 HydrophobicContact CG1-CD1 3.86Å; V438-E455 HydrophobicContact CG2-CB 4.05Å; V438-L456 HydrophobicContact CG1-CD2 3.46Å; V438-L456 VanDerWaalsContact CG1-CD2 3.46Å; V438-L456 HydrophobicContact CG1-CG 4.17Å; V438-L456 HydrophobicContact CG2-CD2 4.44Å; V438-L459 HydrophobicContact CG2-CD1 4.14Å; V438-I475 HydrophobicContact CG1-CG2 4.16Å; V438-I479 HydrophobicContact CG1-CD1 3.83Å
439L95.4Very high92.7Very high18 Ų1863.7 Ų63.79%0.09431%0.309CS..Hα-helixtrans-60.8-41178.4-64.9179.4000111.9I435 N436 L441 S442 R443 M478 I479 I482I435-L439 HydrophobicContact CG2-CD1 3.92Å; I435-L439 HydrophobicContact CG2-CG 4.2Å; I435-L439 WeakPolarHBondContact O-CG 3.43Å; I435-L439 PolarHBondContact O-N 3.17Å; N436-L439 PolarHBondContact O-N 3.31Å; L439-L441 PolarHBondContact O-N 3.02Å; L439-S442 PolarHBondContact O-N 2.77Å; L439-S442 PolarHBondContact O-OG 2.72Å; L439-R443 PolarHBondContact O-N 2.96Å; L439-M478 HydrophobicContact CD1-SD 4.27Å; L439-M478 HydrophobicContact CD2-CB 3.78Å; L439-I479 HydrophobicContact CD2-CG1 4.04Å; L439-I482 HydrophobicContact CB-CD1 4.36Å; L439-I482 HydrophobicContact CD2-CD1 3.88Å
440R94.5Very high92.7Very high156 Ų15664 Ų6459%0.58932%0.316SS*.Hα-helixtrans-63.6-39.7175.2-178.317960.3178.9-3.9112.5N436 K437 V438N436-R440 VanDerWaalsContact O-CB 3.25Å; N436-R440 WeakPolarHBondContact O-CB 3.41Å; N436-R440 PolarHBondContact O-N 2.95Å; K437-R440 PolarHBondContact O-N 2.71Å; V438-R440 VanDerWaalsContact C-N 3.33Å; V438-R440 PolarHBondContact O-N 3.29Å
441L94.3Very high92.7Very high11 Ų1166.6 Ų66.66%0.05833%0.326CS..Hα-helixtrans-69.6-35.6176.2-70.2170.3000111.7K437 V438 L439 R443 R444 K448 L451 L452 E455K437-L441 HydrophobicContact CG-CD1 4.35Å; K437-L441 VanDerWaalsContact O-CG 3.29Å; K437-L441 WeakPolarHBondContact O-CG 3.5Å; K437-L441 PolarHBondContact O-N 2.99Å; V438-L441 PolarHBondContact O-N 3.36Å; V438-L441 VanDerWaalsContact O-N 3.15Å; L439-L441 PolarHBondContact O-N 3.02Å; L441-R443 VanDerWaalsContact C-N 3.32Å; L441-R443 PolarHBondContact O-N 3.48Å; L441-R444 PolarHBondContact O-N 3.13Å; L441-K448 HydrophobicContact CD2-CB 4.07Å; L441-K448 HydrophobicContact CD2-CG 4.45Å; L441-L451 HydrophobicContact CD1-CD2 4.28Å; L441-L451 HydrophobicContact CD1-CG 3.88Å; L441-L451 HydrophobicContact CD2-CB 4.34Å; L441-L451 HydrophobicContact CD2-CD2 3.61Å; L441-L451 HydrophobicContact CD2-CG 3.96Å; L441-L452 HydrophobicContact CB-CB 4.1Å; L441-L452 HydrophobicContact CB-CD1 3.76Å; L441-E455 HydrophobicContact CD1-CB 4.29Å; L441-E455 HydrophobicContact CD1-CG 3.83Å
442S93.4Very high92.8Very high0 Ų064 Ų640%031%0.313CS..Hα-helixtrans-61.6-38.6178.378.90000112.5V438 L439 R444 L445 H483V438-S442 PolarHBondContact O-N 3.32Å; L439-S442 PolarHBondContact O-N 2.77Å; L439-S442 PolarHBondContact O-OG 2.72Å; S442-R444 PolarHBondContact O-N 3.49Å; S442-R444 VanDerWaalsContact O-N 3.1Å; S442-L445 WeakPolarHBondContact O-CG 3.2Å; S442-L445 PolarHBondContact O-N 2.67Å; S442-H483 PolarHBondContact O-CE1 3.26Å; S442-H483 PolarHBondContact O-NE2 2.82Å; S442-H483 VanDerWaalsContact O-NE2 3.13Å
443R92.6Very high92.8Very high165 Ų16562.4 Ų62.462%0.62330%0.302SS*.THydrogen-bonded Turntrans-64.2-13.1175.3-68.7178.5-174.3128.82.5114.3L439 L441 I482L439-R443 PolarHBondContact O-N 2.96Å; L441-R443 VanDerWaalsContact C-N 3.32Å; L441-R443 PolarHBondContact O-N 3.48Å; R443-I482 HydrophobicContact CG-CG2 3.72Å
444R91.4Very high92.8Very high132 Ų13263.7 Ų63.750%0.49831%0.305SS..THydrogen-bonded Turntrans-109.622.2-178.3-59.6-175.767.8170.16.7112L441 S442 D447 K448L441-R444 PolarHBondContact O-N 3.13Å; S442-R444 PolarHBondContact O-N 3.49Å; S442-R444 VanDerWaalsContact O-N 3.1Å; R444-D447 WeakPolarHBondContact O-CA 3.39Å; R444-D447 WeakPolarHBondContact O-CB 3.41Å; R444-D447 PolarHBondContact O-N 3.27Å; R444-K448 HydrophobicContact CB-CB 4Å; R444-K448 HydrophobicContact CB-CG 3.79Å; R444-K448 PolarHBondContact O-N 3.24Å
445L89.5Confident92.7Very high18 Ų1863.3 Ų63.39%0.09430%0.302CS..THydrogen-bonded Turntrans-74.7144.2170.6-73.8175.7000110.2S442 L452 L509 C512 L513S442-L445 WeakPolarHBondContact O-CG 3.2Å; S442-L445 PolarHBondContact O-N 2.67Å; L445-L452 HydrophobicContact CD1-CD2 3.7Å; L445-L452 HydrophobicContact CD2-CD2 3.72Å; L445-L452 HydrophobicContact CG-CD2 3.89Å; L445-L509 HydrophobicContact CB-CD1 3.71Å; L445-C512 HydrophobicContact CD1-CB 4.1Å; L445-C512 HydrophobicContact CD2-CB 4.01Å; L445-L513 HydrophobicContact CD1-CD2 4.43Å
446P88.7Confident92.7Very high45 Ų4562.4 Ų62.429%0.29230%0.298SS..THydrogen-bonded Turncis-81.7-11.31.133.7-36.9000115K448 S449P446-K448 VanDerWaalsContact C-N 3.33Å; P446-K448 PolarHBondContact O-N 3.41Å; P446-S449 VanDerWaalsContact O-CB 3.24Å; P446-S449 WeakPolarHBondContact O-CB 3.37Å; P446-S449 PolarHBondContact O-N 3.29Å; P446-S449 VanDerWaalsContact O-N 3.1Å; P446-S449 PolarHBondContact O-OG 3.41Å
447D89.9Confident92.6Very high133 Ų13360.8 Ų60.871%0.71129%0.289SS*.THydrogen-bonded Turntrans-55-37.5-169.7-56.3-19.5000115.5R444R444-D447 WeakPolarHBondContact O-CA 3.39Å; R444-D447 WeakPolarHBondContact O-CB 3.41Å; R444-D447 PolarHBondContact O-N 3.27Å
448K92.7Very high92.5Very high79 Ų7959.5 Ų59.534%0.34328%0.282SS..THydrogen-bonded Turntrans-106.419.9-178.3-65.1-60.8-173.9-172.70113.6L441 R444 P446 A450 L451 L452L441-K448 HydrophobicContact CD2-CB 4.07Å; L441-K448 HydrophobicContact CD2-CG 4.45Å; R444-K448 HydrophobicContact CB-CB 4Å; R444-K448 HydrophobicContact CB-CG 3.79Å; R444-K448 PolarHBondContact O-N 3.24Å; P446-K448 VanDerWaalsContact C-N 3.33Å; P446-K448 PolarHBondContact O-N 3.41Å; K448-A450 PolarHBondContact O-N 3.19Å; K448-L451 PolarHBondContact O-N 3.13Å; K448-L452 PolarHBondContact O-N 3.15Å
449S92.3Very high92.3Very high32 Ų3259.5 Ų59.522%0.22428%0.282CS..Hα-helixtrans-51.3-48.2-178.854.30000113.7P446 L451 L452 Y453P446-S449 VanDerWaalsContact O-CB 3.24Å; P446-S449 WeakPolarHBondContact O-CB 3.37Å; P446-S449 PolarHBondContact O-N 3.29Å; P446-S449 VanDerWaalsContact O-N 3.1Å; P446-S449 PolarHBondContact O-OG 3.41Å; S449-L451 PolarHBondContact O-N 3.13Å; S449-L452 WeakPolarHBondContact O-CB 3.47Å; S449-L452 PolarHBondContact O-N 3.1Å; S449-Y453 WeakPolarHBondContact O-CD2 3.24Å; S449-Y453 PolarHBondContact O-N 2.85Å
450A91.5Very high92.2Very high79 Ų7960.7 Ų60.765%0.65329%0.286SS*.Hα-helixtrans-59-43.1179.800000113.4K448 K454K448-A450 PolarHBondContact O-N 3.19Å; A450-K454 PolarHBondContact O-N 2.89Å
451L92.3Very high92Very high75 Ų7556.6 Ų56.639%0.39328%0.281SS..Hα-helixtrans-71.9-38.3177.7-175.259.3000111.2L441 K448 S449 K454 E455L441-L451 HydrophobicContact CD1-CD2 4.28Å; L441-L451 HydrophobicContact CD1-CG 3.88Å; L441-L451 HydrophobicContact CD2-CB 4.34Å; L441-L451 HydrophobicContact CD2-CD2 3.61Å; L441-L451 HydrophobicContact CD2-CG 3.96Å; K448-L451 PolarHBondContact O-N 3.13Å; S449-L451 PolarHBondContact O-N 3.13Å; L451-K454 PolarHBondContact O-N 3.19Å; L451-E455 WeakPolarHBondContact O-CG 3.13Å; L451-E455 PolarHBondContact O-N 3.33Å
452L94.1Very high91.9Very high0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-59.2-50.2174.6178.666.5000111V438 L441 L445 K448 S449 K454 E455 L456 V516V438-L452 HydrophobicContact CG1-CD1 3.86Å; L441-L452 HydrophobicContact CB-CB 4.1Å; L441-L452 HydrophobicContact CB-CD1 3.76Å; L445-L452 HydrophobicContact CD1-CD2 3.7Å; L445-L452 HydrophobicContact CD2-CD2 3.72Å; L445-L452 HydrophobicContact CG-CD2 3.89Å; K448-L452 PolarHBondContact O-N 3.15Å; S449-L452 WeakPolarHBondContact O-CB 3.47Å; S449-L452 PolarHBondContact O-N 3.1Å; L452-K454 VanDerWaalsContact C-N 3.3Å; L452-K454 PolarHBondContact O-N 2.97Å; L452-E455 PolarHBondContact O-N 2.97Å; L452-L456 HydrophobicContact CD1-CD1 4.04Å; L452-L456 HydrophobicContact CD1-CG 4.04Å; L452-L456 HydrophobicContact CD2-CD1 4.24Å; L452-L456 HydrophobicContact CG-CD1 3.74Å; L452-L456 HydrophobicContact CG-CG 4.17Å; L452-L456 WeakPolarHBondContact O-CB 3.36Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 3.18Å; L452-V516 HydrophobicContact CD2-CG2 3.93Å
453Y94Very high91.9Very high44 Ų4456.6 Ų56.617%0.17328%0.282CS..Hα-helixtrans-63.1-36.9-179.6-57.9-37.8000112.2S449 L456 N457 C512 N515 V516 I519S449-Y453 WeakPolarHBondContact O-CD2 3.24Å; S449-Y453 PolarHBondContact O-N 2.85Å; Y453-L456 HydrophobicContact CD1-CD1 4.49Å; Y453-N457 WeakPolarHBondContact O-CB 3.35Å; Y453-N457 PolarHBondContact O-N 3.1Å; Y453-N457 PolarHBondContact O-ND2 2.92Å; Y453-C512 WeakPolarHBondContact OH-CA 3.37Å; Y453-C512 WeakPolarHBondContact OH-CB 3.36Å; Y453-C512 PolarHBondContact OH-SG 3.07Å; Y453-N515 HydrophobicContact CE1-CB 3.72Å; Y453-N515 PolarHBondContact OH-ND2 3.38Å; Y453-V516 HydrophobicContact CE1-CG2 4.19Å; Y453-I519 HydrophobicContact CD1-CD1 3.54Å; Y453-I519 HydrophobicContact CE1-CD1 4.35Å; Y453-I519 HydrophobicContact CG-CD1 4.02Å
454K91.7Very high91.8Very high149 Ų14952.7 Ų52.765%0.64828%0.277SS*.Hα-helixtrans-61.2-45.6174.3-174.5177.5177.1-179.50111.5A450 L451 L452 R458A450-K454 PolarHBondContact O-N 2.89Å; L451-K454 PolarHBondContact O-N 3.19Å; L452-K454 VanDerWaalsContact C-N 3.3Å; L452-K454 PolarHBondContact O-N 2.97Å; K454-R458 PolarHBondContact O-N 3.32Å
455E92Very high91.8Very high15 Ų1552.2 Ų52.27%0.0729%0.289CS..Hα-helixtrans-71.5-37.4178.6-66.8-61.4145.400113.1K437 V438 L441 L451 L452 R458 L459K437-E455 HydrophobicContact CD-CG 4.32Å; K437-E455 WeakPolarHBondContact CE-OE1 3.43Å; K437-E455 WeakPolarHBondContact CE-OE2 3.4Å; K437-E455 IonicContact NZ-OE1 2.78Å; K437-E455 PolarHBondContact NZ-OE1 3.21Å; K437-E455 IonicContact NZ-OE2 3.49Å; K437-E455 PolarHBondContact NZ-OE2 2.81Å; V438-E455 HydrophobicContact CG2-CB 4.05Å; L441-E455 HydrophobicContact CD1-CB 4.29Å; L441-E455 HydrophobicContact CD1-CG 3.83Å; L451-E455 WeakPolarHBondContact O-CG 3.13Å; L451-E455 PolarHBondContact O-N 3.33Å; L452-E455 PolarHBondContact O-N 2.97Å; E455-R458 PolarHBondContact O-N 3.19Å; E455-R458 IonicContact OE2-CZ 2.81Å; E455-R458 VanDerWaalsContact OE2-CZ 3.31Å; E455-R458 IonicContact OE2-NE 2.8Å; E455-R458 PolarHBondContact OE2-NE 3.33Å; E455-R458 IonicContact OE2-NH2 3.67Å; E455-R458 PolarHBondContact OE2-NH2 3.06Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 PolarHBondContact O-N 3.39Å
456L93.7Very high91.9Very high0 Ų056.8 Ų56.80%031%0.305CS..Hα-helixtrans-63.4-44175-76173.9000111.5V438 L452 Y453 L459 R460 I475 I479 V516 I519 L520V438-L456 HydrophobicContact CG1-CD2 3.46Å; V438-L456 VanDerWaalsContact CG1-CD2 3.46Å; V438-L456 HydrophobicContact CG1-CG 4.17Å; V438-L456 HydrophobicContact CG2-CD2 4.44Å; L452-L456 HydrophobicContact CD1-CD1 4.04Å; L452-L456 HydrophobicContact CD1-CG 4.04Å; L452-L456 HydrophobicContact CD2-CD1 4.24Å; L452-L456 HydrophobicContact CG-CD1 3.74Å; L452-L456 HydrophobicContact CG-CG 4.17Å; L452-L456 WeakPolarHBondContact O-CB 3.36Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 3.18Å; Y453-L456 HydrophobicContact CD1-CD1 4.49Å; L456-L459 PolarHBondContact O-N 2.85Å; L456-R460 VanDerWaalsContact O-CB 3.28Å; L456-R460 WeakPolarHBondContact O-CB 3.46Å; L456-R460 PolarHBondContact O-N 3.07Å; L456-I475 HydrophobicContact CD2-CG2 4.48Å; L456-I479 HydrophobicContact CD2-CD1 4.1Å; L456-V516 HydrophobicContact CD1-CB 4.31Å; L456-V516 HydrophobicContact CD1-CG1 4.05Å; L456-V516 HydrophobicContact CD1-CG2 3.81Å; L456-I519 HydrophobicContact CB-CG2 3.89Å; L456-L520 HydrophobicContact CD2-CD1 4.02Å; L456-L520 HydrophobicContact CD2-CD2 3.91Å; L456-L520 HydrophobicContact CD2-CG 4.15Å
457N92.1Very high92.1Very high61 Ų6157.4 Ų57.433%0.32632%0.32SS..Hα-helixtrans-64.2-41.1174.9-79.3-61.9000111.8Y453 L459 R460 S461Y453-N457 WeakPolarHBondContact O-CB 3.35Å; Y453-N457 PolarHBondContact O-N 3.1Å; Y453-N457 PolarHBondContact O-ND2 2.92Å; N457-L459 VanDerWaalsContact C-N 3.34Å; N457-L459 PolarHBondContact O-N 2.96Å; N457-R460 PolarHBondContact O-N 3.35Å; N457-S461 PolarHBondContact O-N 3.38Å; N457-S461 PolarHBondContact O-OG 2.87Å
458R91.1Very high92.1Very high37 Ų3752.7 Ų52.714%0.1430%0.297CS..Hα-helixtrans-58.1-47.3173.7-176.5-176.467.288.9-2.1111.3V423 D434 K454 E455 A462V423-R458 HydrophobicContact CG2-CG 3.84Å; D434-R458 VanDerWaalsContact CG-NH2 3.25Å; D434-R458 IonicContact OD1-CZ 3.1Å; D434-R458 IonicContact OD1-NH1 3.89Å; D434-R458 PolarHBondContact OD1-NH1 2.81Å; D434-R458 IonicContact OD1-NH2 2.79Å; D434-R458 PolarHBondContact OD1-NH2 2.88Å; D434-R458 IonicContact OD2-CZ 2.69Å; D434-R458 IonicContact OD2-NH1 3.88Å; D434-R458 PolarHBondContact OD2-NH1 3.19Å; D434-R458 IonicContact OD2-NH2 4Å; K454-R458 PolarHBondContact O-N 3.32Å; E455-R458 PolarHBondContact O-N 3.19Å; E455-R458 IonicContact OE2-CZ 2.81Å; E455-R458 VanDerWaalsContact OE2-CZ 3.31Å; E455-R458 IonicContact OE2-NE 2.8Å; E455-R458 PolarHBondContact OE2-NE 3.33Å; E455-R458 IonicContact OE2-NH2 3.67Å; E455-R458 PolarHBondContact OE2-NH2 3.06Å; R458-A462 PolarHBondContact O-N 3.47Å
459L92.4Very high92Very high0 Ų051.6 Ų51.60%030%0.298CS..Hα-helixtrans-67.9-42.2-179.5-165.2151.2000111.5W425 D434 V438 E455 L456 N457 A462 A463 L471 L472 I475W425-L459 HydrophobicContact CH2-CD2 4.14Å; W425-L459 HydrophobicContact CH2-CG 4.01Å; W425-L459 HydrophobicContact CZ2-CD1 4.39Å; W425-L459 HydrophobicContact CZ2-CD2 4.48Å; W425-L459 HydrophobicContact CZ2-CG 3.88Å; D434-L459 HydrophobicContact CB-CD1 4.38Å; V438-L459 HydrophobicContact CG2-CD1 4.14Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 PolarHBondContact O-N 3.39Å; L456-L459 PolarHBondContact O-N 2.85Å; N457-L459 VanDerWaalsContact C-N 3.34Å; N457-L459 PolarHBondContact O-N 2.96Å; L459-A462 PolarHBondContact O-N 3.07Å; L459-A463 WeakPolarHBondContact O-CB 3.34Å; L459-A463 PolarHBondContact O-N 3.4Å; L459-L471 HydrophobicContact CD2-CD2 4.41Å; L459-L472 HydrophobicContact CD2-CD2 3.49Å; L459-L472 VanDerWaalsContact CD2-CD2 3.49Å; L459-I475 HydrophobicContact CD1-CD1 3.69Å; L459-I475 HydrophobicContact CD2-CD1 3.31Å; L459-I475 HydrophobicContact CG-CD1 4.16Å
460R92.5Very high92Very high44 Ų4456 Ų5617%0.16632%0.315CS..Hα-helixtrans-53.8-54.9172.9-175.7-177.989.4145.14.4110.7L456 N457 A462 A463 T464 L472 I519 E524L456-R460 VanDerWaalsContact O-CB 3.28Å; L456-R460 WeakPolarHBondContact O-CB 3.46Å; L456-R460 PolarHBondContact O-N 3.07Å; N457-R460 PolarHBondContact O-N 3.35Å; R460-A462 VanDerWaalsContact C-N 3.3Å; R460-A462 PolarHBondContact O-N 3.49Å; R460-A463 PolarHBondContact O-N 3.31Å; R460-T464 WeakPolarHBondContact O-CB 3.42Å; R460-T464 PolarHBondContact O-N 3.47Å; R460-T464 PolarHBondContact O-OG1 3.32Å; R460-L472 HydrophobicContact CB-CD1 4.46Å; R460-L472 HydrophobicContact CB-CD2 4.38Å; R460-L472 HydrophobicContact CG-CD1 3.96Å; R460-I519 WeakPolarHBondContact CD-O 2.92Å; R460-E524 IonicContact CZ-OE1 3.76Å; R460-E524 IonicContact NH1-OE1 3.71Å; R460-E524 PolarHBondContact NH1-OE1 3.48Å; R460-E524 IonicContact NH2-OE1 3.25Å; R460-E524 PolarHBondContact NH2-OE1 2.75Å; R460-E524 IonicContact NH2-OE2 2.75Å; R460-E524 PolarHBondContact NH2-OE2 3.25Å
461S90.9Very high92.1Very high69 Ų6953.4 Ų53.448%0.48329%0.29SS..Hα-helixtrans-56.8-43.7178.2-65.20000112.1N457 V465N457-S461 PolarHBondContact O-N 3.38Å; N457-S461 PolarHBondContact O-OG 2.87Å; S461-V465 WeakPolarHBondContact O-CB 3.39Å; S461-V465 VanDerWaalsContact O-CG2 3.23Å; S461-V465 WeakPolarHBondContact O-CG2 3.3Å; S461-V465 PolarHBondContact O-N 3.32Å
462A91.3Very high92.2Very high11 Ų1150.3 Ų50.39%0.09127%0.274CS..Hα-helixtrans-65.3-46.317800000112.7V423 W425 R458 L459 R460 T464 V465 Y466V423-A462 HydrophobicContact CB-CB 3.74Å; V423-A462 HydrophobicContact CG1-CB 3.7Å; V423-A462 HydrophobicContact CG2-CB 3.69Å; W425-A462 HydrophobicContact CH2-CB 4.04Å; W425-A462 HydrophobicContact CZ2-CB 4.16Å; R458-A462 PolarHBondContact O-N 3.47Å; L459-A462 PolarHBondContact O-N 3.07Å; R460-A462 VanDerWaalsContact C-N 3.3Å; R460-A462 PolarHBondContact O-N 3.49Å; A462-T464 VanDerWaalsContact C-N 3.34Å; A462-T464 PolarHBondContact O-N 3.17Å; A462-V465 PolarHBondContact O-N 3.16Å; A462-Y466 HydrophobicContact CB-CE2 4.46Å; A462-Y466 WeakPolarHBondContact O-CB 3.15Å; A462-Y466 WeakPolarHBondContact O-CD2 3.36Å; A462-Y466 PolarHBondContact O-N 3.1Å
463A92.8Very high92.2Very high0 Ų054 Ų540%030%0.297CS..Hα-helixtrans-63.5-39.8179.700000112.1W425 L459 R460 G467 C468 L472W425-A463 HydrophobicContact CH2-CB 4.11Å; W425-A463 HydrophobicContact CZ3-CB 4.18Å; L459-A463 WeakPolarHBondContact O-CB 3.34Å; L459-A463 PolarHBondContact O-N 3.4Å; R460-A463 PolarHBondContact O-N 3.31Å; A463-G467 PolarHBondContact O-N 3.25Å; A463-G467 VanDerWaalsContact O-N 3.09Å; A463-C468 PolarHBondContact O-N 3.5Å; A463-L472 HydrophobicContact CB-CD1 4.19Å; A463-L472 HydrophobicContact CB-CD2 3.74Å; A463-L472 HydrophobicContact CB-CG 3.85Å
464T91.3Very high92.2Very high84 Ų8457.2 Ų57.252%0.51531%0.313SS..Hα-helixtrans-64.3-44.9174.7-550000111.4R460 A462 G467R460-T464 WeakPolarHBondContact O-CB 3.42Å; R460-T464 PolarHBondContact O-N 3.47Å; R460-T464 PolarHBondContact O-OG1 3.32Å; A462-T464 VanDerWaalsContact C-N 3.34Å; A462-T464 PolarHBondContact O-N 3.17Å; T464-G467 PolarHBondContact O-N 3.39Å
465V90.8Very high92.3Very high122 Ų12250.2 Ų50.274%0.73928%0.283SS*.Hα-helixtrans-67.8-37.6179.4170.80000112.1S461 A462 G467S461-V465 WeakPolarHBondContact O-CB 3.39Å; S461-V465 VanDerWaalsContact O-CG2 3.23Å; S461-V465 WeakPolarHBondContact O-CG2 3.3Å; S461-V465 PolarHBondContact O-N 3.32Å; A462-V465 PolarHBondContact O-N 3.16Å; V465-G467 VanDerWaalsContact C-N 3.25Å; V465-G467 PolarHBondContact O-N 3.39Å
466Y91.9Very high92.5Very high113 Ų11351 Ų5144%0.44329%0.286SS..THydrogen-bonded Turntrans-79-3.9176-66.5-33.3000114.2V423 W425 A462V423-Y466 HydrophobicContact CG1-CE2 4.34Å; V423-Y466 PolarHBondContact O-OH 3.22Å; W425-Y466 HydrophobicContact CB-CE2 4.21Å; W425-Y466 HydrophobicContact CD2-CD2 4.09Å; W425-Y466 AromaticContact CD2-CE2 3.99Å; W425-Y466 HydrophobicContact CD2-CE2 3.99Å; W425-Y466 AromaticContact CE3-CD2 3.5Å; W425-Y466 HydrophobicContact CE3-CD2 3.5Å; W425-Y466 VanDerWaalsContact CE3-CD2 3.5Å; W425-Y466 AromaticContact CE3-CE2 3.88Å; W425-Y466 HydrophobicContact CE3-CE2 3.88Å; W425-Y466 HydrophobicContact CG-CE2 4.16Å; W425-Y466 AromaticContact CZ3-CD2 3.9Å; W425-Y466 HydrophobicContact CZ3-CD2 3.9Å; A462-Y466 HydrophobicContact CB-CE2 4.46Å; A462-Y466 WeakPolarHBondContact O-CB 3.15Å; A462-Y466 WeakPolarHBondContact O-CD2 3.36Å; A462-Y466 PolarHBondContact O-N 3.1Å
467G92.5Very high92.5Very high59 Ų5954.2 Ų54.261%0.60831%0.309SS*.THydrogen-bonded Turntrans70.234178.900000114.2A463 T464 V465 P469A463-G467 PolarHBondContact O-N 3.25Å; A463-G467 VanDerWaalsContact O-N 3.09Å; T464-G467 PolarHBondContact O-N 3.39Å; V465-G467 VanDerWaalsContact C-N 3.25Å; V465-G467 PolarHBondContact O-N 3.39Å; G467-P469 WeakPolarHBondContact O-CD 3.48Å
468C91.4Very high92.6Very high33 Ų3355.2 Ų55.222%0.22331%0.313CS..  trans-124.357177.957.50000112.8A463 E470 L471A463-C468 PolarHBondContact O-N 3.5Å; C468-E470 PolarHBondContact O-N 3.11Å; C468-L471 VanDerWaalsContact O-CB 3.27Å; C468-L471 WeakPolarHBondContact O-CB 3.42Å; C468-L471 PolarHBondContact O-N 3.32Å; C468-L471 VanDerWaalsContact O-N 3.12Å
469P90.6Very high92.8Very high57 Ų5753.5 Ų53.537%0.3731%0.306SS..THydrogen-bonded Turntrans-60.7-24.4-18028.4-36.1000113.3G467 L471 L472G467-P469 WeakPolarHBondContact O-CD 3.48Å; P469-L471 PolarHBondContact O-N 3.37Å; P469-L472 VanDerWaalsContact O-CB 3.32Å; P469-L472 WeakPolarHBondContact O-CB 3.46Å; P469-L472 PolarHBondContact O-N 2.72Å
470E91.7Very high92.8Very high125 Ų12555.1 Ų55.158%0.58431%0.314SS*.Hα-helixtrans-59.1-30.6176.6-60.473.7-160.200111.7C468 L472 V473 Q474C468-E470 PolarHBondContact O-N 3.11Å; E470-L472 PolarHBondContact O-N 3.42Å; E470-V473 PolarHBondContact O-N 3.02Å; E470-Q474 WeakPolarHBondContact O-CG 3.34Å; E470-Q474 PolarHBondContact O-N 3.22Å; E470-Q474 VanDerWaalsContact O-N 3.08Å
471L92.6Very high92.8Very high24 Ų2455.3 Ų55.313%0.12632%0.322CS..Hα-helixtrans-59.6-37.5175-179.861.6000111.8W425 M431 I435 L459 C468 P469 V473 Q474 I475W425-L471 HydrophobicContact CE3-CD2 4.24Å; W425-L471 HydrophobicContact CH2-CD2 3.5Å; W425-L471 HydrophobicContact CZ2-CD2 4.34Å; W425-L471 HydrophobicContact CZ3-CD2 3.43Å; W425-L471 VanDerWaalsContact CZ3-CD2 3.43Å; M431-L471 HydrophobicContact CE-CD1 3.48Å; M431-L471 VanDerWaalsContact CE-CD1 3.48Å; M431-L471 HydrophobicContact CE-CD2 3.44Å; M431-L471 VanDerWaalsContact CE-CD2 3.44Å; M431-L471 HydrophobicContact CE-CG 4.03Å; I435-L471 HydrophobicContact CD1-CD1 4.01Å; L459-L471 HydrophobicContact CD2-CD2 4.41Å; C468-L471 VanDerWaalsContact O-CB 3.27Å; C468-L471 WeakPolarHBondContact O-CB 3.42Å; C468-L471 PolarHBondContact O-N 3.32Å; C468-L471 VanDerWaalsContact O-N 3.12Å; P469-L471 PolarHBondContact O-N 3.37Å; L471-V473 VanDerWaalsContact C-N 3.34Å; L471-Q474 PolarHBondContact O-N 3.43Å; L471-I475 HydrophobicContact CD1-CD1 4.09Å; L471-I475 HydrophobicContact CD1-CG1 4.3Å; L471-I475 HydrophobicContact CD2-CD1 4.39Å; L471-I475 HydrophobicContact CG-CD1 3.82Å; L471-I475 HydrophobicContact CG-CG1 4.44Å; L471-I475 VanDerWaalsContact O-CG1 3.29Å; L471-I475 WeakPolarHBondContact O-CG1 3.29Å; L471-I475 PolarHBondContact O-N 3.2Å
472L94.1Very high92.7Very high9 Ų953.1 Ų53.15%0.04731%0.305CS..Hα-helixtrans-66.8-38.9-179.8-57.3176.8000111.3L459 R460 A463 P469 E470 I475 H476 L520L459-L472 HydrophobicContact CD2-CD2 3.49Å; L459-L472 VanDerWaalsContact CD2-CD2 3.49Å; R460-L472 HydrophobicContact CB-CD1 4.46Å; R460-L472 HydrophobicContact CB-CD2 4.38Å; R460-L472 HydrophobicContact CG-CD1 3.96Å; A463-L472 HydrophobicContact CB-CD1 4.19Å; A463-L472 HydrophobicContact CB-CD2 3.74Å; A463-L472 HydrophobicContact CB-CG 3.85Å; P469-L472 VanDerWaalsContact O-CB 3.32Å; P469-L472 WeakPolarHBondContact O-CB 3.46Å; P469-L472 PolarHBondContact O-N 2.72Å; E470-L472 PolarHBondContact O-N 3.42Å; L472-I475 PolarHBondContact O-N 3.48Å; L472-H476 WeakPolarHBondContact O-CB 3.5Å; L472-H476 PolarHBondContact O-N 3.19Å; L472-L520 HydrophobicContact CB-CD2 4.23Å; L472-L520 HydrophobicContact CD2-CD2 3.87Å
473V94.1Very high92.5Very high79 Ų7953.5 Ų53.548%0.47931%0.305SS..Hα-helixtrans-63.6-42.9174.6-1770000110.7E470 L471 H476 S477 L521E470-V473 PolarHBondContact O-N 3.02Å; L471-V473 VanDerWaalsContact C-N 3.34Å; V473-H476 PolarHBondContact O-N 2.93Å; V473-S477 PolarHBondContact O-N 2.96Å; V473-L521 HydrophobicContact CG2-CD2 4.11Å
474Q94.6Very high92.1Very high111 Ų11159.5 Ų59.552%0.51933%0.333SS..Hα-helixtrans-65-43.4177.3-64.4-60.9-16.600112E470 L471 H476 S477 M478E470-Q474 WeakPolarHBondContact O-CG 3.34Å; E470-Q474 PolarHBondContact O-N 3.22Å; E470-Q474 VanDerWaalsContact O-N 3.08Å; L471-Q474 PolarHBondContact O-N 3.43Å; Q474-H476 VanDerWaalsContact C-N 3.34Å; Q474-H476 PolarHBondContact O-N 3.39Å; Q474-S477 PolarHBondContact O-N 3.36Å; Q474-M478 VanDerWaalsContact O-CG 3.3Å; Q474-M478 WeakPolarHBondContact O-CG 3.27Å; Q474-M478 PolarHBondContact O-N 3.5Å
475I94.6Very high91.3Very high1 Ų161.6 Ų61.61%0.00534%0.337CS..Hα-helixtrans-63.8-40.5176.7-69.1167.5000111I435 V438 L456 L459 L471 L472 M478 I479 L520I435-I475 HydrophobicContact CG1-CD1 4.14Å; I435-I475 HydrophobicContact CG1-CG1 4.46Å; V438-I475 HydrophobicContact CG1-CG2 4.16Å; L456-I475 HydrophobicContact CD2-CG2 4.48Å; L459-I475 HydrophobicContact CD1-CD1 3.69Å; L459-I475 HydrophobicContact CD2-CD1 3.31Å; L459-I475 HydrophobicContact CG-CD1 4.16Å; L471-I475 HydrophobicContact CD1-CD1 4.09Å; L471-I475 HydrophobicContact CD1-CG1 4.3Å; L471-I475 HydrophobicContact CD2-CD1 4.39Å; L471-I475 HydrophobicContact CG-CD1 3.82Å; L471-I475 HydrophobicContact CG-CG1 4.44Å; L471-I475 VanDerWaalsContact O-CG1 3.29Å; L471-I475 WeakPolarHBondContact O-CG1 3.29Å; L471-I475 PolarHBondContact O-N 3.2Å; L472-I475 PolarHBondContact O-N 3.48Å; I475-M478 PolarHBondContact O-N 2.72Å; I475-I479 HydrophobicContact CG2-CD1 3.84Å; I475-I479 HydrophobicContact CG2-CG1 4.42Å; I475-I479 WeakPolarHBondContact O-CG1 3.41Å; I475-I479 PolarHBondContact O-N 2.95Å; I475-L520 HydrophobicContact CG2-CD1 4.09Å
476H95Very high90.2Very high31 Ų3158.7 Ų58.714%0.14432%0.322CS..Hα-helixtrans-58.2-51.3175176.1-91.9000111.2L472 V473 Q474 M478 I479 M480 T517 L520 L521L472-H476 WeakPolarHBondContact O-CB 3.5Å; L472-H476 PolarHBondContact O-N 3.19Å; V473-H476 PolarHBondContact O-N 2.93Å; Q474-H476 VanDerWaalsContact C-N 3.34Å; Q474-H476 PolarHBondContact O-N 3.39Å; H476-M478 VanDerWaalsContact C-N 3.32Å; H476-M478 PolarHBondContact O-N 3.05Å; H476-I479 PolarHBondContact O-N 3.4Å; H476-M480 WeakPolarHBondContact O-CG 3.42Å; H476-M480 PolarHBondContact O-N 2.74Å; H476-T517 PolarHBondContact NE2-OG1 3.09Å; H476-L520 HydrophobicContact CB-CB 4.25Å; H476-L520 HydrophobicContact CB-CD1 3.73Å; H476-L521 HydrophobicContact CB-CD2 4.32Å
477S94.8Very high88.9Confident69 Ų6957.7 Ų57.748%0.48332%0.324SS..Hα-helixtrans-56.3-44.9176.6-177.80000112.1V473 Q474 I479 M480 S481V473-S477 PolarHBondContact O-N 2.96Å; Q474-S477 PolarHBondContact O-N 3.36Å; S477-I479 PolarHBondContact O-N 2.96Å; S477-M480 PolarHBondContact O-N 3.3Å; S477-S481 WeakPolarHBondContact O-CB 3.2Å; S477-S481 PolarHBondContact O-N 3.32Å
478M94.6Very high87.5Confident82 Ų8260 Ų6040%0.40432%0.322SS..Hα-helixtrans-60.9-45.8176.8-70-179.6-169.100112.2L439 Q474 I475 H476 M480 S481 I482L439-M478 HydrophobicContact CD1-SD 4.27Å; L439-M478 HydrophobicContact CD2-CB 3.78Å; Q474-M478 VanDerWaalsContact O-CG 3.3Å; Q474-M478 WeakPolarHBondContact O-CG 3.27Å; Q474-M478 PolarHBondContact O-N 3.5Å; I475-M478 PolarHBondContact O-N 2.72Å; H476-M478 VanDerWaalsContact C-N 3.32Å; H476-M478 PolarHBondContact O-N 3.05Å; M478-M480 PolarHBondContact O-N 3.1Å; M478-S481 PolarHBondContact O-N 3.47Å; M478-S481 PolarHBondContact O-OG 3.43Å; M478-I482 WeakPolarHBondContact O-CG1 3.38Å; M478-I482 PolarHBondContact O-N 3.48Å
479I93.9Very high86Confident0 Ų063.8 Ų63.80%034%0.34CS..Hα-helixtrans-64.1-42179.1-67.4168.2000111.4V438 L439 L456 I475 H476 S477 I482 H483 L513 V516 L520V438-I479 HydrophobicContact CG1-CD1 3.83Å; L439-I479 HydrophobicContact CD2-CG1 4.04Å; L456-I479 HydrophobicContact CD2-CD1 4.1Å; I475-I479 HydrophobicContact CG2-CD1 3.84Å; I475-I479 HydrophobicContact CG2-CG1 4.42Å; I475-I479 WeakPolarHBondContact O-CG1 3.41Å; I475-I479 PolarHBondContact O-N 2.95Å; H476-I479 PolarHBondContact O-N 3.4Å; S477-I479 PolarHBondContact O-N 2.96Å; I479-I482 PolarHBondContact O-N 3.19Å; I479-H483 PolarHBondContact O-ND1 3.07Å; I479-L513 HydrophobicContact CG2-CD2 4.33Å; I479-V516 HydrophobicContact CD1-CG1 3.92Å; I479-V516 HydrophobicContact CG2-CG1 4.18Å; I479-L520 HydrophobicContact CD1-CD1 4.27Å
480M92.6Very high84.3Confident35 Ų3565.7 Ų65.717%0.17235%0.348CS..Hα-helixtrans-64.9-41178-66.5-57.9150.700111.3H476 S477 M478 I482 H483 Q484 L513 V516 T517H476-M480 WeakPolarHBondContact O-CG 3.42Å; H476-M480 PolarHBondContact O-N 2.74Å; S477-M480 PolarHBondContact O-N 3.3Å; M478-M480 PolarHBondContact O-N 3.1Å; M480-I482 VanDerWaalsContact C-N 3.34Å; M480-I482 PolarHBondContact O-N 3.04Å; M480-H483 PolarHBondContact O-N 3.44Å; M480-Q484 WeakPolarHBondContact O-CG 3.49Å; M480-Q484 PolarHBondContact O-N 3.4Å; M480-L513 HydrophobicContact CE-CB 4.12Å; M480-L513 HydrophobicContact CE-CD2 4.06Å; M480-L513 WeakPolarHBondContact CE-O 3.48Å; M480-L513 HydrophobicContact SD-CB 4.41Å; M480-L513 HydrophobicContact SD-CD2 4.14Å; M480-V516 HydrophobicContact CE-CB 4.44Å; M480-V516 HydrophobicContact CE-CG1 4.28Å; M480-T517 WeakPolarHBondContact CE-OG1 3.39Å
481S92Very high82.5Confident47 Ų4766.6 Ų66.633%0.32936%0.356SS..Hα-helixtrans-61-39177.7770000113.2S477 M478 H483 Q484 Q485S477-S481 WeakPolarHBondContact O-CB 3.2Å; S477-S481 PolarHBondContact O-N 3.32Å; M478-S481 PolarHBondContact O-N 3.47Å; M478-S481 PolarHBondContact O-OG 3.43Å; S481-H483 VanDerWaalsContact C-N 3.27Å; S481-H483 PolarHBondContact O-N 3.25Å; S481-Q484 PolarHBondContact O-N 2.92Å; S481-Q485 WeakPolarHBondContact O-CG 3.28Å; S481-Q485 PolarHBondContact O-N 2.92Å; S481-Q485 VanDerWaalsContact O-N 3.11Å
482I89.8Confident80.6Confident24 Ų2470.1 Ų70.112%0.12338%0.383CS..Hα-helixtrans-59.7-38.2178.1-72.5168.8000111.4L439 R443 M478 I479 M480 S486L439-I482 HydrophobicContact CB-CD1 4.36Å; L439-I482 HydrophobicContact CD2-CD1 3.88Å; R443-I482 HydrophobicContact CG-CG2 3.72Å; M478-I482 WeakPolarHBondContact O-CG1 3.38Å; M478-I482 PolarHBondContact O-N 3.48Å; I479-I482 PolarHBondContact O-N 3.19Å; M480-I482 VanDerWaalsContact C-N 3.34Å; M480-I482 PolarHBondContact O-N 3.04Å; I482-S486 PolarHBondContact O-N 3.45Å; I482-S486 PolarHBondContact O-OG 2.78Å; I482-S486 VanDerWaalsContact O-OG 3.13Å
483H87.7Confident78.6Confident18 Ų1876.1 Ų76.18%0.08342%0.415CS..Hα-helixtrans-86.3-29-177.3-67.288.3000112.8S442 I479 M480 S481 S486 N487 L513S442-H483 PolarHBondContact O-CE1 3.26Å; S442-H483 PolarHBondContact O-NE2 2.82Å; S442-H483 VanDerWaalsContact O-NE2 3.13Å; I479-H483 PolarHBondContact O-ND1 3.07Å; M480-H483 PolarHBondContact O-N 3.44Å; S481-H483 VanDerWaalsContact C-N 3.27Å; S481-H483 PolarHBondContact O-N 3.25Å; H483-S486 PolarHBondContact O-N 2.95Å; H483-N487 PolarHBondContact O-N 3.42Å; H483-L513 HydrophobicContact CB-CD1 4.18Å; H483-L513 HydrophobicContact CB-CD2 4.49Å
484Q83.7Confident76.1Confident126 Ų12678.5 Ų78.559%0.58943%0.425SS*.Hα-helixtrans-64.7-41.9171-73176.4-3.400111.9M480 S481 S486 N487 N488M480-Q484 WeakPolarHBondContact O-CG 3.49Å; M480-Q484 PolarHBondContact O-N 3.4Å; S481-Q484 PolarHBondContact O-N 2.92Å; Q484-S486 VanDerWaalsContact C-N 3.29Å; Q484-S486 PolarHBondContact O-N 3.25Å; Q484-N487 PolarHBondContact O-N 2.83Å; Q484-N488 PolarHBondContact O-N 3.26Å; Q484-N488 VanDerWaalsContact O-N 3.1Å
485Q74.4Confident73.3Confident129 Ų12980.5 Ų80.560%0.60344%0.44SS*.Hα-helixtrans-62.4-36.8176.4-72.6178-3.200112.4S481 N488 N489S481-Q485 WeakPolarHBondContact O-CG 3.28Å; S481-Q485 PolarHBondContact O-N 2.92Å; S481-Q485 VanDerWaalsContact O-N 3.11Å; Q485-N488 PolarHBondContact O-N 3.23Å; Q485-N489 PolarHBondContact O-N 2.87Å
486S68.1Low70.6Confident60 Ų6087.2 Ų87.242%0.4248%0.475SS..Hα-helixtrans-67.1-36.3177.6-61.50000112.3I482 H483 Q484 N490I482-S486 PolarHBondContact O-N 3.45Å; I482-S486 PolarHBondContact O-OG 2.78Å; I482-S486 VanDerWaalsContact O-OG 3.13Å; H483-S486 PolarHBondContact O-N 2.95Å; Q484-S486 VanDerWaalsContact C-N 3.29Å; Q484-S486 PolarHBondContact O-N 3.25Å; S486-N490 PolarHBondContact O-N 3.45Å; S486-N490 PolarHBondContact O-ND2 3.16Å
487N64.5Low67.7Low92 Ų9291.9 Ų91.949%0.49251%0.506SS..Hα-helixtrans-71.7-38.9176.3-78.3-9.1000112.9H483 Q484 N489 N490 N491H483-N487 PolarHBondContact O-N 3.42Å; Q484-N487 PolarHBondContact O-N 2.83Å; N487-N489 PolarHBondContact O-N 3.27Å; N487-N490 PolarHBondContact O-N 3.31Å; N487-N491 PolarHBondContact O-N 2.95Å; N487-N491 VanDerWaalsContact O-N 3.16Å
488N62.8Low65Low108 Ų10894.7 Ų94.758%0.57852%0.515SS*.Hα-helixtrans-68-35.3179.1-72.5-9.5000112.5Q484 Q485 S492Q484-N488 PolarHBondContact O-N 3.26Å; Q484-N488 VanDerWaalsContact O-N 3.1Å; Q485-N488 PolarHBondContact O-N 3.23Å; N488-S492 PolarHBondContact O-OG 2.97Å
489N59.8Low62.5Low112 Ų11297.4 Ų97.460%0.59953%0.53SS*.Hα-helixtrans-70.6-35.3176.6-74.7-9.7000112.6Q485 N487 S492Q485-N489 PolarHBondContact O-N 2.87Å; N487-N489 PolarHBondContact O-N 3.27Å; N489-S492 PolarHBondContact O-N 3.34Å
490N55.9Low60.2Low98 Ų98103.5 Ų103.552%0.52457%0.567SS.*Hα-helixtrans-73.2-33.9178.6-75.9-15.6000112.9S486 N487 S492 N493S486-N490 PolarHBondContact O-N 3.45Å; S486-N490 PolarHBondContact O-ND2 3.16Å; N487-N490 PolarHBondContact O-N 3.31Å; N490-S492 PolarHBondContact O-N 3.04Å; N490-N493 PolarHBondContact O-N 3.39Å
491N53.8Low58Low143 Ų143104.8 Ų104.877%0.76558%0.58SS**Hα-helixtrans-69.8-17.9177.1-81.4-5.8000113.7N487N487-N491 PolarHBondContact O-N 2.95Å; N487-N491 VanDerWaalsContact O-N 3.16Å
492S52.6Low56.4Low99 Ų99104.5 Ų104.569%0.69258%0.578SS**Hα-helixtrans-87.2-16.7177.5-58.70000113.6N488 N489 N490N488-S492 PolarHBondContact O-OG 2.97Å; N489-S492 PolarHBondContact O-N 3.34Å; N490-S492 PolarHBondContact O-N 3.04Å
493N50.6Low55.4Low135 Ų135107.8 Ų107.872%0.72260%0.596SS**Hα-helixtrans-116.7-8.6-168.7-85.6-10.8000116.3N490N490-N493 PolarHBondContact O-N 3.39Å
494N41.4Very low54.7Low129 Ų129114.5 Ų114.569%0.6963%0.627SS**  trans-121.280.5-175.9-76.5-14.9000112.7
495N37.6Very low54.3Low153 Ų153115 Ų11582%0.81863%0.63SS**  trans-78.1119.2149.6-76.6-26.2000108.1
496N36.7Very low54.5Low141 Ų141112.4 Ų112.475%0.75462%0.623SS**SBendtrans84.2132.5164.6-50.4-28.5000117.2
497T34.5Very low55.2Low130 Ų130116.7 Ų116.780%0.79863%0.633SS**SBendtrans70.391.7162.135.60000118.1
498I38.2Very low56.3Low127 Ų127114.2 Ų114.265%0.65162%0.623SS**  trans162.492.1132.8-75.4151.6000106.1S501 S502I498-S501 WeakPolarHBondContact CG2-OG 3.39Å; I498-S502 PolarHBondContact O-OG 2.94Å
499L41.2Very low57.5Low140 Ų140110.9 Ų110.973%0.73361%0.606SS**  trans-108.23.5-168.5-101.3152.8000114.9
500T45.5Very low58.9Low127 Ų127110.4 Ų110.478%0.77960%0.6SS**SBendtrans-111.4-37.1-176.652.90000114.4
501S47.2Very low60.5Low63 Ų63109.6 Ų109.644%0.44160%0.598SS.*SBendtrans-75.7-2517556.50000113.5I498 N503I498-S501 WeakPolarHBondContact CG2-OG 3.39Å; S501-N503 VanDerWaalsContact C-N 3.32Å; S501-N503 PolarHBondContact O-N 3.36Å
502S57.9Low62.3Low40 Ų40103.3 Ų103.328%0.2857%0.565SS.*Hα-helixtrans-68.1-28.2-178.950.80000113.2I498 T506I498-S502 PolarHBondContact O-OG 2.94Å; S502-T506 WeakPolarHBondContact O-CB 3.45Å; S502-T506 WeakPolarHBondContact O-CG2 3.43Å; S502-T506 PolarHBondContact O-N 3.35Å; S502-T506 VanDerWaalsContact O-N 3.1Å; S502-T506 PolarHBondContact O-OG1 3.47Å
503N69.3Low64.2Low94 Ų9499.3 Ų99.350%0.50354%0.536SS..Hα-helixtrans-74.4-33-176.3-92.1-14.5000114.7S501 T506 K507S501-N503 VanDerWaalsContact C-N 3.32Å; S501-N503 PolarHBondContact O-N 3.36Å; N503-T506 WeakPolarHBondContact CA-OG1 3.36Å; N503-T506 PolarHBondContact O-OG1 3.3Å; N503-T506 VanDerWaalsContact O-OG1 3.05Å; N503-K507 VanDerWaalsContact O-CG 3.27Å; N503-K507 WeakPolarHBondContact O-CG 3.41Å; N503-K507 PolarHBondContact O-N 3.08Å
504E72.6Confident66.1Low158 Ų15896.8 Ų96.874%0.73852%0.523SS*.Hα-helixtrans-76.5-42.4176.7-73.6-171.6162.500111.7T506 K507 S508E504-T506 PolarHBondContact O-N 3.02Å; E504-K507 PolarHBondContact O-N 3.38Å; E504-S508 WeakPolarHBondContact O-CB 3.23Å; E504-S508 PolarHBondContact O-N 2.97Å
505Q74.6Confident68.5Low138 Ų13893.6 Ų93.665%0.64551%0.506SS*.Hα-helixtrans-62.1-44177.6-69.5-175.5-10.900111.3S508 L509Q505-S508 PolarHBondContact O-N 3.37Å; Q505-S508 PolarHBondContact O-OG 3.33Å; Q505-L509 WeakPolarHBondContact O-CB 3.45Å; Q505-L509 PolarHBondContact O-N 2.96Å
506T78.6Confident71.1Confident74 Ų7486.3 Ų86.345%0.45447%0.467SS..Hα-helixtrans-63.2-42.5176.248.40000112.5S502 N503 E504 L509 Q510S502-T506 WeakPolarHBondContact O-CB 3.45Å; S502-T506 WeakPolarHBondContact O-CG2 3.43Å; S502-T506 PolarHBondContact O-N 3.35Å; S502-T506 VanDerWaalsContact O-N 3.1Å; S502-T506 PolarHBondContact O-OG1 3.47Å; N503-T506 WeakPolarHBondContact CA-OG1 3.36Å; N503-T506 PolarHBondContact O-OG1 3.3Å; N503-T506 VanDerWaalsContact O-OG1 3.05Å; E504-T506 PolarHBondContact O-N 3.02Å; T506-L509 PolarHBondContact O-N 3.42Å; T506-Q510 WeakPolarHBondContact O-CB 3.49Å; T506-Q510 PolarHBondContact O-N 2.92Å
507K83.8Confident73.8Confident149 Ų14981.7 Ų81.765%0.64844%0.444SS*.Hα-helixtrans-60.1-46.3173.6-76.8176.3-178-178.70111.8N503 E504 L509 Q510 T511N503-K507 VanDerWaalsContact O-CG 3.27Å; N503-K507 WeakPolarHBondContact O-CG 3.41Å; N503-K507 PolarHBondContact O-N 3.08Å; E504-K507 PolarHBondContact O-N 3.38Å; K507-L509 VanDerWaalsContact C-N 3.34Å; K507-L509 PolarHBondContact O-N 3.34Å; K507-Q510 PolarHBondContact O-N 3.12Å; K507-T511 PolarHBondContact O-N 3.04Å; K507-T511 PolarHBondContact O-OG1 2.92Å; K507-T511 VanDerWaalsContact O-OG1 3.05Å
508S87.6Confident76.5Confident40 Ų4078.6 Ų78.628%0.2842%0.422SS..Hα-helixtrans-62.4-40.2179.9760000112.5E504 Q505 T511 C512E504-S508 WeakPolarHBondContact O-CB 3.23Å; E504-S508 PolarHBondContact O-N 2.97Å; Q505-S508 PolarHBondContact O-N 3.37Å; Q505-S508 PolarHBondContact O-OG 3.33Å; S508-T511 PolarHBondContact O-N 2.98Å; S508-C512 PolarHBondContact O-N 2.92Å; S508-C512 PolarHBondContact O-SG 3.24Å
509L88.7Confident78.9Confident39 Ų3973.7 Ų73.720%0.20440%0.397CS..Hα-helixtrans-65.3-45.3175.7-179.362.9000110.9L445 Q505 T506 K507 T511 C512 L513L445-L509 HydrophobicContact CB-CD1 3.71Å; Q505-L509 WeakPolarHBondContact O-CB 3.45Å; Q505-L509 PolarHBondContact O-N 2.96Å; T506-L509 PolarHBondContact O-N 3.42Å; K507-L509 VanDerWaalsContact C-N 3.34Å; K507-L509 PolarHBondContact O-N 3.34Å; L509-T511 VanDerWaalsContact C-N 3.34Å; L509-T511 PolarHBondContact O-N 2.98Å; L509-C512 WeakPolarHBondContact O-CA 3.43Å; L509-C512 WeakPolarHBondContact O-CB 3.48Å; L509-C512 PolarHBondContact O-N 3.43Å; L509-L513 HydrophobicContact CG-CD1 4.27Å; L509-L513 WeakPolarHBondContact O-CG 3.27Å; L509-L513 PolarHBondContact O-N 3.21Å
510Q88.6Confident81.2Confident102 Ų10267.4 Ų67.448%0.47736%0.364SS..Hα-helixtrans-61.9-42.1178.1-171.460.540.900111.8T506 K507 C512 L513 N514T506-Q510 WeakPolarHBondContact O-CB 3.49Å; T506-Q510 PolarHBondContact O-N 2.92Å; K507-Q510 PolarHBondContact O-N 3.12Å; Q510-C512 VanDerWaalsContact C-N 3.27Å; Q510-C512 PolarHBondContact O-N 2.95Å; Q510-L513 PolarHBondContact O-N 3.4Å; Q510-N514 PolarHBondContact NE2-OD1 3.26Å; Q510-N514 VanDerWaalsContact O-CG 3.26Å; Q510-N514 PolarHBondContact O-N 3.19Å; Q510-N514 PolarHBondContact O-OD1 3.18Å
511T90.5Very high83.3Confident80 Ų8064.6 Ų64.649%0.49134%0.344SS..Hα-helixtrans-58.6-41.8172.7-56.70000111.1K507 S508 L509 N514 N515K507-T511 PolarHBondContact O-N 3.04Å; K507-T511 PolarHBondContact O-OG1 2.92Å; K507-T511 VanDerWaalsContact O-OG1 3.05Å; S508-T511 PolarHBondContact O-N 2.98Å; L509-T511 VanDerWaalsContact C-N 3.34Å; L509-T511 PolarHBondContact O-N 2.98Å; T511-N514 PolarHBondContact O-N 3Å; T511-N515 VanDerWaalsContact O-CG 3.32Å; T511-N515 PolarHBondContact O-N 3.05Å; T511-N515 VanDerWaalsContact O-N 3.07Å; T511-N515 PolarHBondContact O-ND2 2.93Å
512C91.5Very high84.9Confident11 Ų1167.4 Ų67.47%0.07435%0.348CS..Hα-helixtrans-64.3-42.4177-65.80000112.8L445 Y453 S508 L509 Q510 N515 V516L445-C512 HydrophobicContact CD1-CB 4.1Å; L445-C512 HydrophobicContact CD2-CB 4.01Å; Y453-C512 WeakPolarHBondContact OH-CA 3.37Å; Y453-C512 WeakPolarHBondContact OH-CB 3.36Å; Y453-C512 PolarHBondContact OH-SG 3.07Å; S508-C512 PolarHBondContact O-N 2.92Å; S508-C512 PolarHBondContact O-SG 3.24Å; L509-C512 WeakPolarHBondContact O-CA 3.43Å; L509-C512 WeakPolarHBondContact O-CB 3.48Å; L509-C512 PolarHBondContact O-N 3.43Å; Q510-C512 VanDerWaalsContact C-N 3.27Å; Q510-C512 PolarHBondContact O-N 2.95Å; C512-N515 WeakPolarHBondContact O-CB 3.4Å; C512-N515 PolarHBondContact O-N 3.26Å; C512-V516 WeakPolarHBondContact O-CG2 3.27Å; C512-V516 PolarHBondContact O-N 3.43Å
513L91.6Very high85.1Confident15 Ų1574 Ų748%0.07938%0.375CS..Hα-helixtrans-66.7-36.1178.2-67.6175.2000112.6L445 I479 M480 H483 L509 Q510 V516 T517L445-L513 HydrophobicContact CD1-CD2 4.43Å; I479-L513 HydrophobicContact CG2-CD2 4.33Å; M480-L513 HydrophobicContact CE-CB 4.12Å; M480-L513 HydrophobicContact CE-CD2 4.06Å; M480-L513 WeakPolarHBondContact CE-O 3.48Å; M480-L513 HydrophobicContact SD-CB 4.41Å; M480-L513 HydrophobicContact SD-CD2 4.14Å; H483-L513 HydrophobicContact CB-CD1 4.18Å; H483-L513 HydrophobicContact CB-CD2 4.49Å; L509-L513 HydrophobicContact CG-CD1 4.27Å; L509-L513 WeakPolarHBondContact O-CG 3.27Å; L509-L513 PolarHBondContact O-N 3.21Å; Q510-L513 PolarHBondContact O-N 3.4Å; L513-V516 PolarHBondContact O-N 2.91Å; L513-T517 PolarHBondContact O-N 3.37Å; L513-T517 PolarHBondContact O-OG1 3.25Å
514N91.4Very high84.6Confident82 Ų8274 Ų7444%0.43937%0.372SS..Hα-helixtrans-62.9-43.7172.3-68.4-6000110.8Q510 T511 V516 T517 D518Q510-N514 PolarHBondContact NE2-OD1 3.26Å; Q510-N514 VanDerWaalsContact O-CG 3.26Å; Q510-N514 PolarHBondContact O-N 3.19Å; Q510-N514 PolarHBondContact O-OD1 3.18Å; T511-N514 PolarHBondContact O-N 3Å; N514-V516 PolarHBondContact O-N 3.02Å; N514-T517 WeakPolarHBondContact O-CB 3.32Å; N514-T517 PolarHBondContact O-N 2.93Å; N514-D518 PolarHBondContact O-N 3.45Å
515N91.7Very high83Confident63 Ų6373 Ų7334%0.33738%0.376SS..Hα-helixtrans-63.7-38.1175.6-68.8-19.7000112.7Y453 T511 C512 T517 D518 I519Y453-N515 HydrophobicContact CE1-CB 3.72Å; Y453-N515 PolarHBondContact OH-ND2 3.38Å; T511-N515 VanDerWaalsContact O-CG 3.32Å; T511-N515 PolarHBondContact O-N 3.05Å; T511-N515 VanDerWaalsContact O-N 3.07Å; T511-N515 PolarHBondContact O-ND2 2.93Å; C512-N515 WeakPolarHBondContact O-CB 3.4Å; C512-N515 PolarHBondContact O-N 3.26Å; N515-T517 VanDerWaalsContact C-N 3.32Å; N515-D518 PolarHBondContact O-N 3.34Å; N515-I519 VanDerWaalsContact O-CG1 3.27Å; N515-I519 WeakPolarHBondContact O-CG1 3.5Å; N515-I519 PolarHBondContact O-N 2.95Å
516V92.3Very high81.4Confident0 Ų073.9 Ų73.90%038%0.375CS..Hα-helixtrans-61-43.9173.6170.80000110.8L452 Y453 L456 I479 M480 C512 L513 N514 I519 L520L452-V516 HydrophobicContact CD2-CG2 3.93Å; Y453-V516 HydrophobicContact CE1-CG2 4.19Å; L456-V516 HydrophobicContact CD1-CB 4.31Å; L456-V516 HydrophobicContact CD1-CG1 4.05Å; L456-V516 HydrophobicContact CD1-CG2 3.81Å; I479-V516 HydrophobicContact CD1-CG1 3.92Å; I479-V516 HydrophobicContact CG2-CG1 4.18Å; M480-V516 HydrophobicContact CE-CB 4.44Å; M480-V516 HydrophobicContact CE-CG1 4.28Å; C512-V516 WeakPolarHBondContact O-CG2 3.27Å; C512-V516 PolarHBondContact O-N 3.43Å; L513-V516 PolarHBondContact O-N 2.91Å; N514-V516 PolarHBondContact O-N 3.02Å; V516-I519 PolarHBondContact O-N 3.38Å; V516-L520 HydrophobicContact CG1-CD1 3.87Å; V516-L520 WeakPolarHBondContact O-CB 3.27Å; V516-L520 PolarHBondContact O-N 3.44Å
517T91.8Very high79.3Confident44 Ų4475.5 Ų75.527%0.2738%0.384SS..Hα-helixtrans-61.3-46177.2-56.40000111H476 M480 L513 N514 N515 I519 L520 L521H476-T517 PolarHBondContact NE2-OG1 3.09Å; M480-T517 WeakPolarHBondContact CE-OG1 3.39Å; L513-T517 PolarHBondContact O-N 3.37Å; L513-T517 PolarHBondContact O-OG1 3.25Å; N514-T517 WeakPolarHBondContact O-CB 3.32Å; N514-T517 PolarHBondContact O-N 2.93Å; N515-T517 VanDerWaalsContact C-N 3.32Å; T517-I519 PolarHBondContact O-N 2.89Å; T517-L520 PolarHBondContact O-N 2.91Å; T517-L521 HydrophobicContact CG2-CD1 3.97Å; T517-L521 WeakPolarHBondContact O-CB 3.4Å; T517-L521 PolarHBondContact O-N 3.49Å
518D91.4Very high76.8Confident65 Ų6576 Ų7635%0.34839%0.394SS..Hα-helixtrans-60.5-43.7177.3-84.5-1.2000112.4N514 N515 K522N514-D518 PolarHBondContact O-N 3.45Å; N515-D518 PolarHBondContact O-N 3.34Å; D518-K522 HydrophobicContact CB-CD 4Å; D518-K522 VanDerWaalsContact CG-CE 3.41Å; D518-K522 VanDerWaalsContact O-CB 3.23Å; D518-K522 WeakPolarHBondContact O-CB 3.49Å; D518-K522 WeakPolarHBondContact O-CG 3.42Å; D518-K522 PolarHBondContact O-N 2.81Å; D518-K522 WeakPolarHBondContact OD1-CE 3.23Å; D518-K522 IonicContact OD1-NZ 3.59Å; D518-K522 PolarHBondContact OD1-NZ 3.12Å; D518-K522 IonicContact OD2-NZ 2.77Å; D518-K522 PolarHBondContact OD2-NZ 3.29Å
519I89.4Confident74.3Confident23 Ų2380.6 Ų80.612%0.11842%0.416CS..Hα-helixtrans-65.8-45.4179-67.9164.1000110.8Y453 L456 R460 N515 V516 T517Y453-I519 HydrophobicContact CD1-CD1 3.54Å; Y453-I519 HydrophobicContact CE1-CD1 4.35Å; Y453-I519 HydrophobicContact CG-CD1 4.02Å; L456-I519 HydrophobicContact CB-CG2 3.89Å; R460-I519 WeakPolarHBondContact CD-O 2.92Å; N515-I519 VanDerWaalsContact O-CG1 3.27Å; N515-I519 WeakPolarHBondContact O-CG1 3.5Å; N515-I519 PolarHBondContact O-N 2.95Å; V516-I519 PolarHBondContact O-N 3.38Å; T517-I519 PolarHBondContact O-N 2.89Å
520L90.2Very high71.8Confident9 Ų985.7 Ų85.75%0.04744%0.442CS..Hα-helixtrans-82.3-30.5-171.2-70177.4000114.3L456 L472 I475 H476 I479 V516 T517L456-L520 HydrophobicContact CD2-CD1 4.02Å; L456-L520 HydrophobicContact CD2-CD2 3.91Å; L456-L520 HydrophobicContact CD2-CG 4.15Å; L472-L520 HydrophobicContact CB-CD2 4.23Å; L472-L520 HydrophobicContact CD2-CD2 3.87Å; I475-L520 HydrophobicContact CG2-CD1 4.09Å; H476-L520 HydrophobicContact CB-CB 4.25Å; H476-L520 HydrophobicContact CB-CD1 3.73Å; I479-L520 HydrophobicContact CD1-CD1 4.27Å; V516-L520 HydrophobicContact CG1-CD1 3.87Å; V516-L520 WeakPolarHBondContact O-CB 3.27Å; V516-L520 PolarHBondContact O-N 3.44Å; T517-L520 PolarHBondContact O-N 2.91Å
521L88.4Confident69.2Low68 Ų6889.2 Ų89.236%0.35646%0.463SS..Hα-helixtrans-115.2-13.6-169.2-56.8-174.3000115.2V473 H476 T517 H523V473-L521 HydrophobicContact CG2-CD2 4.11Å; H476-L521 HydrophobicContact CB-CD2 4.32Å; T517-L521 HydrophobicContact CG2-CD1 3.97Å; T517-L521 WeakPolarHBondContact O-CB 3.4Å; T517-L521 PolarHBondContact O-N 3.49Å; L521-H523 PolarHBondContact O-N 3.17Å
522K80.5Confident66.3Low122 Ų12289 Ų8953%0.5347%0.465SS..  trans-69.3109.9175.2-78.2177.3169.2167.40109.7D518 E524D518-K522 HydrophobicContact CB-CD 4Å; D518-K522 VanDerWaalsContact CG-CE 3.41Å; D518-K522 VanDerWaalsContact O-CB 3.23Å; D518-K522 WeakPolarHBondContact O-CB 3.49Å; D518-K522 WeakPolarHBondContact O-CG 3.42Å; D518-K522 PolarHBondContact O-N 2.81Å; D518-K522 WeakPolarHBondContact OD1-CE 3.23Å; D518-K522 IonicContact OD1-NZ 3.59Å; D518-K522 PolarHBondContact OD1-NZ 3.12Å; D518-K522 IonicContact OD2-NZ 2.77Å; D518-K522 PolarHBondContact OD2-NZ 3.29Å; K522-E524 PolarHBondContact O-N 3.46Å; K522-E524 VanDerWaalsContact O-N 3.15Å
523H63.3Low63.6Low179 Ų17993.4 Ų93.483%0.82949%0.493SS*.  trans-66.5106.1166.8-78.8-77.6000109.2L521 T525L521-H523 PolarHBondContact O-N 3.17Å; H523-T525 PolarHBondContact O-N 2.92Å
524E57.6Low61Low94 Ų9499.5 Ų99.544%0.43953%0.526SS..  trans-74.5113.1159.6-76.2166.7-149.700107R460 K522 Y526R460-E524 IonicContact CZ-OE1 3.76Å; R460-E524 IonicContact NH1-OE1 3.71Å; R460-E524 PolarHBondContact NH1-OE1 3.48Å; R460-E524 IonicContact NH2-OE1 3.25Å; R460-E524 PolarHBondContact NH2-OE1 2.75Å; R460-E524 IonicContact NH2-OE2 2.75Å; R460-E524 PolarHBondContact NH2-OE2 3.25Å; K522-E524 PolarHBondContact O-N 3.46Å; K522-E524 VanDerWaalsContact O-N 3.15Å; E524-Y526 HydrophobicContact CB-CD2 3.9Å; E524-Y526 HydrophobicContact CB-CE2 3.71Å; E524-Y526 PolarHBondContact O-N 3.05Å; E524-Y526 VanDerWaalsContact OE2-CE2 3.27Å; E524-Y526 WeakPolarHBondContact OE2-CE2 3.13Å; E524-Y526 PolarHBondContact OE2-OH 3.15Å
525T39.4Very low58.4Low136 Ų136105.3 Ų105.383%0.83455%0.547SS*.  trans-63.988.8167.342.80000108.2H523 T527H523-T525 PolarHBondContact O-N 2.92Å; T525-T527 PolarHBondContact O-N 2.85Å
526Y41.4Very low55.7Low156 Ų156111.9 Ų111.961%0.61257%0.573SS**  trans-75.8108.1165.9-82.3-82.4000107.9E524 N528E524-Y526 HydrophobicContact CB-CD2 3.9Å; E524-Y526 HydrophobicContact CB-CE2 3.71Å; E524-Y526 PolarHBondContact O-N 3.05Å; E524-Y526 VanDerWaalsContact OE2-CE2 3.27Å; E524-Y526 WeakPolarHBondContact OE2-CE2 3.13Å; E524-Y526 PolarHBondContact OE2-OH 3.15Å; Y526-N528 PolarHBondContact O-N 2.79Å
527T34.6Very low52.7Low108 Ų108120.8 Ų120.866%0.66361%0.612SS**  trans-60.2131.3162.145.80000108.4T525 D529T525-T527 PolarHBondContact O-N 2.85Å; T527-D529 PolarHBondContact O-N 3.37Å
528N32Very low49.7Very low160 Ų160126.5 Ų126.586%0.85664%0.639SS**SBendtrans-67.752.9-174-77.7-38.5000114.3Y526Y526-N528 PolarHBondContact O-N 2.79Å
529D34.6Very low46.9Very low136 Ų136137.2 Ų137.273%0.72768%0.684SS**  trans-1069.5-176.6-76.6-26.2000114.9T527T527-D529 PolarHBondContact O-N 3.37Å
530I36.5Very low44.7Very low146 Ų146143 Ų14375%0.74971%0.712SS**SBendtrans-102.83.7-174.4-55.9176.6000113.2
531L33.9Very low42.3Very low176 Ų176150 Ų15092%0.92175%0.747SS**  trans-103.551.8172.2-79.7153.9000111.7
532S29.6Very low39.8Very low76 Ų76154.6 Ų154.653%0.53177%0.769SS.*  trans-101.4123.9163179.20000109.7D534S532-D534 PolarHBondContact O-N 3.29Å; S532-D534 VanDerWaalsContact O-N 3.12Å
533P35.1Very low37.4Very low104 Ų104156.5 Ų156.568%0.67578%0.783SS**G310 helixtrans-68.2-5.7-176.9-15.229.1000115.1
534D36.9Very low35.8Very low142 Ų142155.1 Ų155.176%0.75978%0.78SS**G310 helixtrans-93.54.2-160.6-74.2-35.1000116.2S532S532-D534 PolarHBondContact O-N 3.29Å; S532-D534 VanDerWaalsContact O-N 3.12Å
535K35.2Very low34.3Very low205 Ų205159.1 Ų159.189%0.89180%0.802SS**G310 helixtrans-100.323.7172.2-72.6-171.6178.5178.40114.5K537K535-K537 VanDerWaalsContact C-N 3.28Å; K535-K537 PolarHBondContact O-N 3.48Å
536K35Very low33.9Very low200 Ų200160.8 Ų160.887%0.8780%0.8SS**  trans-84.217.4173.2-83.7-170.4176.1-178.30115.1
537K29.3Very low33.4Very low188 Ų188161.2 Ų161.282%0.81782%0.815SS**SBendtrans-126.686173.7-76.7-177.7176.7177.70109.4K535K535-K537 VanDerWaalsContact C-N 3.28Å; K535-K537 PolarHBondContact O-N 3.48Å
538L28.8Very low33.3Very low163 Ų163165.6 Ų165.685%0.85383%0.827SS**  trans164.765.3157.6-91.4152000108.8
539F32.3Very low33.4Very low291 Ų291166.1 Ų166.1100%1.27683%0.825SS**  trans-152.80151.2-82.9-67000108.1

Retrieved 539 of 539 residues in 156.2 ms (Link to these results)

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