A0A061AD48_CAEEL Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A061AD48, Species CAEEL (Caenorhabditis elegans), Gene nekl-1, Length 983 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
1M57Low78.2Confident137 Ų13734.5 Ų34.568%0.67519%0.187SC*.  0137.20-67.6-167.7-162.600106.3R49 I95M1-R49 HydrophobicContact CB-CB 3.81Å; M1-R49 HydrophobicContact CG-CB 4.47Å; M1-R49 HydrophobicContact SD-CB 3.97Å; M1-R49 WeakPolarHBondContact SD-CD 3.4Å; M1-R49 HydrophobicContact SD-CG 3.86Å; M1-R49 PolarHBondContact SD-NH1 3.29Å; M1-I95 HydrophobicContact SD-CD1 3.89Å
2S74.9Confident77.3Confident22 Ų2240 Ų4015%0.15422%0.222CC..EExtended strand (participates in β ladder)trans-84.7134.5-171.853.10000111.6G46 I48 R49 N50S2-G46 WeakPolarHBondContact CB-O 3.4Å; S2-G46 PolarHBondContact OG-O 3.45Å; S2-I48 VanDerWaalsContact OG-CA 3.29Å; S2-I48 WeakPolarHBondContact OG-CA 3.38Å; S2-R49 PolarHBondContact O-N 3Å; S2-N50 PolarHBondContact O-N 3.47Å
3T84.7Confident76.7Confident0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-100130165-62.80000107.2A22 N23 N50 I149 Y150T3-A22 HydrophobicContact CG2-CB 3.86Å; T3-A22 WeakPolarHBondContact O-CA 3.39Å; T3-N23 PolarHBondContact O-N 3.48Å; T3-N50 WeakPolarHBondContact CA-O 3.46Å; T3-N50 HydrophobicContact CG2-CB 4.06Å; T3-N50 PolarHBondContact OG1-ND2 3.27Å; T3-I149 HydrophobicContact CG2-CG2 4.35Å; T3-Y150 HydrophobicContact CG2-CD1 3.65Å; T3-Y150 HydrophobicContact CG2-CE1 3.68Å
4V88Confident76.3Confident0 Ų041.6 Ų41.60%023%0.229CC..EExtended strand (participates in β ladder)trans-131.4134.2-178.5178.90000109.3N23 I25 I48 N50 L51 G52V4-N23 CarbonylContact C-O 3.58Å; V4-N23 VanDerWaalsContact CA-O 3.32Å; V4-N23 WeakPolarHBondContact CA-O 3.5Å; V4-N23 HydrophobicContact CG2-CB 4.41Å; V4-I25 HydrophobicContact CG1-CD1 3.54Å; V4-I25 HydrophobicContact CG1-CG1 3.93Å; V4-I48 HydrophobicContact CB-CD1 4.01Å; V4-I48 HydrophobicContact CB-CG2 4.36Å; V4-I48 HydrophobicContact CG1-CD1 4.42Å; V4-I48 HydrophobicContact CG2-CD1 3.63Å; V4-I48 HydrophobicContact CG2-CG1 3.91Å; V4-I48 HydrophobicContact CG2-CG2 4.24Å; V4-N50 PolarHBondContact N-O 2.95Å; V4-L51 HydrophobicContact CB-CD1 4.17Å; V4-L51 HydrophobicContact CG1-CD1 4.15Å; V4-L51 CarbonylContact O-C 3.51Å; V4-L51 WeakPolarHBondContact O-CA 3.45Å; V4-G52 PolarHBondContact O-N 3.22Å
5I87.5Confident76Confident2 Ų245 Ų451%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-111117.1170.9-57.5174000107.6C7 N23 I24 I25 G52 H54 Y150I5-C7 HydrophobicContact CG2-CB 4.34Å; I5-N23 PolarHBondContact N-O 3.06Å; I5-I24 HydrophobicContact CB-CG1 4.36Å; I5-I24 HydrophobicContact CD1-CG1 4.49Å; I5-I24 CarbonylContact O-C 3.58Å; I5-I24 WeakPolarHBondContact O-CA 3.27Å; I5-I25 PolarHBondContact O-N 3.08Å; I5-G52 CarbonylContact C-O 3.59Å; I5-G52 WeakPolarHBondContact CA-O 3.48Å; I5-H54 HydrophobicContact CG2-CB 4.31Å; I5-Y150 HydrophobicContact CD1-CD1 3.8Å; I5-Y150 HydrophobicContact CD1-CG 4.27Å; I5-Y150 HydrophobicContact CG1-CD1 3.44Å; I5-Y150 VanDerWaalsContact CG1-CD1 3.44Å; I5-Y150 HydrophobicContact CG1-CE1 4.02Å; I5-Y150 HydrophobicContact CG1-CG 4.33Å
6L87.5Confident75.3Confident4 Ų449.3 Ų49.32%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-94119.7169.5-175.567.2000108.6I25 Y27 L36 G52 L53 H54L6-I25 HydrophobicContact CD1-CB 3.84Å; L6-I25 HydrophobicContact CD1-CG2 3.62Å; L6-Y27 HydrophobicContact CD1-CD1 3.78Å; L6-Y27 HydrophobicContact CD1-CE1 4.26Å; L6-Y27 HydrophobicContact CG-CD1 3.97Å; L6-Y27 HydrophobicContact CG-CE1 3.92Å; L6-L36 HydrophobicContact CD1-CD1 3.83Å; L6-L36 HydrophobicContact CD2-CD1 4.2Å; L6-G52 PolarHBondContact N-O 2.94Å; L6-L53 HydrophobicContact CB-CD2 4Å; L6-L53 HydrophobicContact CD2-CD2 3.84Å; L6-L53 HydrophobicContact CG-CD2 4.48Å; L6-H54 PolarHBondContact O-N 3.39Å
7C84.8Confident74.9Confident0 Ų049.3 Ų49.30%027%0.274CS..EExtended strand (participates in β ladder)trans-141.3155-175.868.70000113.1I5 L14 I24 I25 R26 Y27 H54I5-C7 HydrophobicContact CG2-CB 4.34Å; C7-L14 HydrophobicContact CB-CD1 3.55Å; C7-L14 VanDerWaalsContact SG-CD1 3.53Å; C7-I24 WeakPolarHBondContact SG-CG2 3.47Å; C7-I25 PolarHBondContact N-O 2.74Å; C7-R26 VanDerWaalsContact O-CA 3.32Å; C7-R26 WeakPolarHBondContact O-CA 3.37Å; C7-Y27 WeakPolarHBondContact O-CD1 3.16Å; C7-Y27 WeakPolarHBondContact O-CE1 3.45Å; C7-Y27 PolarHBondContact O-N 3.4Å; C7-H54 HydrophobicContact CB-CB 3.73Å
8H77.5Confident74.6Confident29 Ų2951.6 Ų51.613%0.13428%0.278CS..EExtended strand (participates in β ladder)trans-65.7146.8173.8-168.5-108.7000111.1E10 S11 Y27 V29H8-E10 IonicContact CE1-OE2 3.83Å; H8-E10 PolarHBondContact ND1-N 3.01Å; H8-E10 IonicContact ND1-OE2 3.04Å; H8-E10 PolarHBondContact O-N 3.34Å; H8-E10 VanDerWaalsContact O-N 3.07Å; H8-S11 WeakPolarHBondContact O-CB 3.4Å; H8-S11 PolarHBondContact O-N 3.18Å; H8-S11 PolarHBondContact O-OG 2.96Å; H8-Y27 CarbonylContact C-O 3.57Å; H8-Y27 WeakPolarHBondContact CA-O 3.46Å; H8-Y27 PolarHBondContact CD2-O 3.13Å; H8-V29 WeakPolarHBondContact NE2-CG2 3.41Å; H8-V29 PolarHBondContact NE2-N 3.09Å; H8-V29 VanDerWaalsContact NE2-N 3.2Å
9A76.4Confident74.4Confident51 Ų5148.9 Ų48.942%0.42126%0.263SS..THydrogen-bonded Turntrans-55.6-30-17800000113S11 Y27A9-S11 VanDerWaalsContact C-N 3.32Å; A9-S11 PolarHBondContact O-N 3.19Å; A9-Y27 WeakPolarHBondContact CB-O 3.48Å; A9-Y27 PolarHBondContact N-O 3.29Å
10E71.2Confident74.1Confident132 Ų13251.2 Ų51.262%0.61728%0.283SS*.THydrogen-bonded Turntrans-81.2-2.1177.5-61178.8175.800114.5H8 V12H8-E10 IonicContact CE1-OE2 3.83Å; H8-E10 PolarHBondContact ND1-N 3.01Å; H8-E10 IonicContact ND1-OE2 3.04Å; H8-E10 PolarHBondContact O-N 3.34Å; H8-E10 VanDerWaalsContact O-N 3.07Å; E10-V12 VanDerWaalsContact O-CG2 3.28Å; E10-V12 WeakPolarHBondContact O-CG2 3.3Å; E10-V12 PolarHBondContact O-N 3Å
11S71Confident74.1Confident3 Ų351.3 Ų51.32%0.02128%0.283CS..  trans-66.9105.2178.7-62.90000110.7H8 A9 R26 H54H8-S11 WeakPolarHBondContact O-CB 3.4Å; H8-S11 PolarHBondContact O-N 3.18Å; H8-S11 PolarHBondContact O-OG 2.96Å; A9-S11 VanDerWaalsContact C-N 3.32Å; A9-S11 PolarHBondContact O-N 3.19Å; S11-R26 PolarHBondContact O-NH1 3.24Å; S11-R26 PolarHBondContact O-NH2 3.41Å; S11-H54 WeakPolarHBondContact CB-ND1 3.2Å; S11-H54 PolarHBondContact OG-CE1 3.14Å; S11-H54 PolarHBondContact OG-ND1 3.49Å
12V67.5Low75Confident100 Ų10044.8 Ų44.861%0.60625%0.251SS*.  trans-81.8156.8-179.7-148.60000110.5E10 L14E10-V12 VanDerWaalsContact O-CG2 3.28Å; E10-V12 WeakPolarHBondContact O-CG2 3.3Å; E10-V12 PolarHBondContact O-N 3Å; V12-L14 VanDerWaalsContact C-N 3.25Å; V12-L14 PolarHBondContact O-N 3.35Å; V12-L14 VanDerWaalsContact O-N 3.12Å
13N68.7Low75.5Confident101 Ų10146.4 Ų46.454%0.5426%0.258SS..SBendtrans69.5-5.5173.4-52.6-30000117.8D15 T16 I17N13-D15 PolarHBondContact O-N 3.24Å; N13-T16 WeakPolarHBondContact CA-OG1 3.26Å; N13-T16 PolarHBondContact O-N 3.41Å; N13-T16 PolarHBondContact O-OG1 3.1Å; N13-I17 WeakPolarHBondContact O-CD1 3.36Å; N13-I17 VanDerWaalsContact O-CG1 3.24Å; N13-I17 WeakPolarHBondContact O-CG1 3.44Å; N13-I17 PolarHBondContact O-N 2.73Å
14L71.9Confident75.4Confident2 Ų247.7 Ų47.71%0.0126%0.264CS..Hα-helixtrans-65.7-37.8178-72.1172000113.3C7 V12 T16 I17 R18 I24 H54 F134C7-L14 HydrophobicContact CB-CD1 3.55Å; C7-L14 VanDerWaalsContact SG-CD1 3.53Å; V12-L14 VanDerWaalsContact C-N 3.25Å; V12-L14 PolarHBondContact O-N 3.35Å; V12-L14 VanDerWaalsContact O-N 3.12Å; L14-T16 VanDerWaalsContact C-N 3.27Å; L14-T16 PolarHBondContact O-N 3.47Å; L14-I17 HydrophobicContact CD2-CD1 4.48Å; L14-I17 PolarHBondContact O-N 3.3Å; L14-R18 WeakPolarHBondContact O-CB 3.46Å; L14-R18 PolarHBondContact O-N 2.89Å; L14-R18 VanDerWaalsContact O-N 3.11Å; L14-I24 HydrophobicContact CB-CD1 3.82Å; L14-H54 HydrophobicContact CD1-CB 4.49Å; L14-F134 HydrophobicContact CD2-CE1 3.9Å
15D71.6Confident75.3Confident92 Ų9248 Ų4849%0.49227%0.266SS..Hα-helixtrans-66.4-31.3-179.9-68.2-51.7000112.5N13 R26N13-D15 PolarHBondContact O-N 3.24Å; D15-R26 IonicContact OD1-NH2 3.53Å; D15-R26 IonicContact OD2-CZ 3.78Å; D15-R26 IonicContact OD2-NE 2.67Å; D15-R26 IonicContact OD2-NH2 3.53Å; D15-R26 PolarHBondContact OD2-NH2 2.97Å
16T65Low75.1Confident114 Ų11451.5 Ų51.570%0.69928%0.279SS*.Hα-helixtrans-78.5-20.5-179.9420000113.6N13 L14N13-T16 WeakPolarHBondContact CA-OG1 3.26Å; N13-T16 PolarHBondContact O-N 3.41Å; N13-T16 PolarHBondContact O-OG1 3.1Å; L14-T16 VanDerWaalsContact C-N 3.27Å; L14-T16 PolarHBondContact O-N 3.47Å
17I67.7Low74.8Confident49 Ų4952 Ų5225%0.25128%0.281SS..Hα-helixtrans-116.63.2-17470.7-168.2000112.8N13 L14 L135 I151N13-I17 WeakPolarHBondContact O-CD1 3.36Å; N13-I17 VanDerWaalsContact O-CG1 3.24Å; N13-I17 WeakPolarHBondContact O-CG1 3.44Å; N13-I17 PolarHBondContact O-N 2.73Å; L14-I17 HydrophobicContact CD2-CD1 4.48Å; L14-I17 PolarHBondContact O-N 3.3Å; I17-L135 HydrophobicContact CD1-CD2 3.42Å; I17-L135 VanDerWaalsContact CD1-CD2 3.42Å; I17-I151 HydrophobicContact CB-CD1 4.29Å; I17-I151 HydrophobicContact CB-CG2 4.25Å; I17-I151 HydrophobicContact CD1-CD1 3.84Å; I17-I151 HydrophobicContact CG1-CD1 3.96Å; I17-I151 HydrophobicContact CG1-CG1 4.21Å; I17-I151 CarbonylContact O-C 3.46Å; I17-I151 WeakPolarHBondContact O-CA 3.44Å; I17-I151 VanDerWaalsContact O-CB 3.23Å; I17-I151 WeakPolarHBondContact O-CB 3.3Å; I17-I151 WeakPolarHBondContact O-CG1 3.24Å; I17-I151 WeakPolarHBondContact O-CG2 3.41Å
18R70.6Confident74.3Confident91 Ų9155 Ų5534%0.34330%0.302SS..  trans-80.8151-175.371.7-176.1-178.3111.3-0.6113.6L14 A22 I24 Y150L14-R18 WeakPolarHBondContact O-CB 3.46Å; L14-R18 PolarHBondContact O-N 2.89Å; L14-R18 VanDerWaalsContact O-N 3.11Å; R18-A22 PolarHBondContact NH1-O 3.01Å; R18-I24 HydrophobicContact CB-CD1 4.22Å; R18-I24 VanDerWaalsContact CD-CD1 3.43Å; R18-I24 HydrophobicContact CG-CD1 4.38Å; R18-Y150 CarbonylContact C-O 3.56Å; R18-Y150 WeakPolarHBondContact CA-O 3.32Å
19A70.4Confident73.8Confident1 Ų156.9 Ų56.91%0.00832%0.315CS..  trans-65146163.400000111.1D21 A22 Y150 N153A19-D21 WeakPolarHBondContact CB-OD1 3.25Å; A19-D21 PolarHBondContact O-N 3.26Å; A19-A22 HydrophobicContact CB-CB 4.17Å; A19-A22 WeakPolarHBondContact O-CB 3.49Å; A19-A22 PolarHBondContact O-N 3Å; A19-Y150 PolarHBondContact N-O 2.79Å; A19-N153 WeakPolarHBondContact CA-OD1 3.43Å
20S69.1Low73.3Confident94 Ų9457.6 Ų57.666%0.65733%0.327SS*.THydrogen-bonded Turntrans-63.5-25.3-172.656.70000113.8N153S20-N153 WeakPolarHBondContact CA-OD1 3.27Å; S20-N153 VanDerWaalsContact CB-OD1 3.3Å; S20-N153 WeakPolarHBondContact CB-OD1 3.43Å; S20-N153 PolarHBondContact N-OD1 3.45Å; S20-N153 PolarHBondContact OG-OD1 3.41Å
21D72.7Confident73.5Confident54 Ų5452.2 Ų52.229%0.28930%0.303SS..THydrogen-bonded Turntrans-97.6-6.617870.1-42.4000113.6A19 N23A19-D21 WeakPolarHBondContact CB-OD1 3.25Å; A19-D21 PolarHBondContact O-N 3.26Å; D21-N23 PolarHBondContact O-N 2.91Å
22A76.5Confident73.9Confident0 Ų058.7 Ų58.70%033%0.331CS..EExtended strand (participates in β ladder)trans-80.2116.3175.200000110.7T3 R18 A19T3-A22 HydrophobicContact CG2-CB 3.86Å; T3-A22 WeakPolarHBondContact O-CA 3.39Å; R18-A22 PolarHBondContact NH1-O 3.01Å; A19-A22 HydrophobicContact CB-CB 4.17Å; A19-A22 WeakPolarHBondContact O-CB 3.49Å; A19-A22 PolarHBondContact O-N 3Å
23N84.9Confident74.3Confident55 Ų5556.5 Ų56.529%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-84.7128176.3-63.7-72.4000110.3T3 V4 I5 D21 Y43T3-N23 PolarHBondContact O-N 3.48Å; V4-N23 CarbonylContact C-O 3.58Å; V4-N23 VanDerWaalsContact CA-O 3.32Å; V4-N23 WeakPolarHBondContact CA-O 3.5Å; V4-N23 HydrophobicContact CG2-CB 4.41Å; I5-N23 PolarHBondContact N-O 3.06Å; D21-N23 PolarHBondContact O-N 2.91Å; N23-Y43 HydrophobicContact CB-CD1 4.21Å; N23-Y43 HydrophobicContact CB-CE1 3.65Å
24I82.8Confident74.9Confident27 Ų2756 Ų5614%0.13832%0.316CS..EExtended strand (participates in β ladder)trans-96.4125.9174.8-59.7-173.1000109.5I5 C7 L14 R18 R26I5-I24 HydrophobicContact CB-CG1 4.36Å; I5-I24 HydrophobicContact CD1-CG1 4.49Å; I5-I24 CarbonylContact O-C 3.58Å; I5-I24 WeakPolarHBondContact O-CA 3.27Å; C7-I24 WeakPolarHBondContact SG-CG2 3.47Å; L14-I24 HydrophobicContact CB-CD1 3.82Å; R18-I24 HydrophobicContact CB-CD1 4.22Å; R18-I24 VanDerWaalsContact CD-CD1 3.43Å; R18-I24 HydrophobicContact CG-CD1 4.38Å; I24-R26 HydrophobicContact CG2-CG 3.85Å
25I86.1Confident75.4Confident6 Ų660.2 Ų60.23%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-108.9111.1172-57.8178.2000107.5V4 I5 L6 C7 M39 L40 Y43V4-I25 HydrophobicContact CG1-CD1 3.54Å; V4-I25 HydrophobicContact CG1-CG1 3.93Å; I5-I25 PolarHBondContact O-N 3.08Å; L6-I25 HydrophobicContact CD1-CB 3.84Å; L6-I25 HydrophobicContact CD1-CG2 3.62Å; C7-I25 PolarHBondContact N-O 2.74Å; I25-M39 HydrophobicContact CG2-CB 4.04Å; I25-M39 HydrophobicContact CG2-CE 3.44Å; I25-M39 VanDerWaalsContact CG2-CE 3.44Å; I25-M39 HydrophobicContact CG2-SD 4.43Å; I25-L40 HydrophobicContact CD1-CD2 3.88Å; I25-Y43 HydrophobicContact CD1-CD2 3.58Å; I25-Y43 HydrophobicContact CD1-CE2 3.59Å; I25-Y43 HydrophobicContact CD1-CG 4.48Å; I25-Y43 HydrophobicContact CG1-CD2 4.26Å; I25-Y43 HydrophobicContact CG1-CE2 3.75Å
26R84Confident75.9Confident77 Ų7755.8 Ų55.829%0.29131%0.312SS..EExtended strand (participates in β ladder)trans-96.3126.5178.7-66.4-178.3176.1-843.4110.4C7 S11 D15 I24 M39C7-R26 VanDerWaalsContact O-CA 3.32Å; C7-R26 WeakPolarHBondContact O-CA 3.37Å; S11-R26 PolarHBondContact O-NH1 3.24Å; S11-R26 PolarHBondContact O-NH2 3.41Å; D15-R26 IonicContact OD1-NH2 3.53Å; D15-R26 IonicContact OD2-CZ 3.78Å; D15-R26 IonicContact OD2-NE 2.67Å; D15-R26 IonicContact OD2-NH2 3.53Å; D15-R26 PolarHBondContact OD2-NH2 2.97Å; I24-R26 HydrophobicContact CG2-CG 3.85Å; R26-M39 WeakPolarHBondContact O-CE 3.38Å
27Y81.8Confident76.8Confident15 Ų1553.1 Ų53.16%0.05929%0.29CS..EExtended strand (participates in β ladder)trans-120.2145.8174.668.1-85.4000110.9L6 C7 H8 A9 L36 I64 L65L6-Y27 HydrophobicContact CD1-CD1 3.78Å; L6-Y27 HydrophobicContact CD1-CE1 4.26Å; L6-Y27 HydrophobicContact CG-CD1 3.97Å; L6-Y27 HydrophobicContact CG-CE1 3.92Å; C7-Y27 WeakPolarHBondContact O-CD1 3.16Å; C7-Y27 WeakPolarHBondContact O-CE1 3.45Å; C7-Y27 PolarHBondContact O-N 3.4Å; H8-Y27 CarbonylContact C-O 3.57Å; H8-Y27 WeakPolarHBondContact CA-O 3.46Å; H8-Y27 PolarHBondContact CD2-O 3.13Å; A9-Y27 WeakPolarHBondContact CB-O 3.48Å; A9-Y27 PolarHBondContact N-O 3.29Å; Y27-L36 HydrophobicContact CD1-CD1 4.47Å; Y27-L36 HydrophobicContact CG-CD1 4.34Å; Y27-I64 VanDerWaalsContact CE2-O 3.26Å; Y27-I64 WeakPolarHBondContact CE2-O 3.39Å; Y27-I64 PolarHBondContact OH-O 2.91Å; Y27-L65 HydrophobicContact CD2-CD2 3.97Å; Y27-L65 HydrophobicContact CE2-CD2 3.89Å
28S74.3Confident77.6Confident63 Ų6354.6 Ų54.644%0.44130%0.299SS..  trans-91.8160.8172.860.40000111.3G30 V31S28-G30 PolarHBondContact O-N 3.03Å; S28-G30 VanDerWaalsContact O-N 3.07Å; S28-V31 WeakPolarHBondContact O-CB 3.41Å; S28-V31 WeakPolarHBondContact O-CG2 3.48Å; S28-V31 PolarHBondContact O-N 3.12Å; S28-V31 WeakPolarHBondContact OG-CG2 3.45Å
29V65.8Low78.3Confident67 Ų6752.6 Ų52.641%0.40629%0.294SS..THydrogen-bonded Turntrans-49.8-35.2178.9-171.30000112.8H8 V31 E66H8-V29 WeakPolarHBondContact NE2-CG2 3.41Å; H8-V29 PolarHBondContact NE2-N 3.09Å; H8-V29 VanDerWaalsContact NE2-N 3.2Å; V29-V31 PolarHBondContact O-N 3.3Å; V29-E66 HydrophobicContact CG1-CB 4.03Å; V29-E66 HydrophobicContact CG1-CG 4.36Å; V29-E66 WeakPolarHBondContact CG1-OE2 3.41Å
30G66.8Low78.9Confident66 Ų6652.5 Ų52.568%0.6829%0.294SS*.THydrogen-bonded Turntrans-86.24.4-177.100000116.4S28 K32S28-G30 PolarHBondContact O-N 3.03Å; S28-G30 VanDerWaalsContact O-N 3.07Å; G30-K32 PolarHBondContact O-N 3Å
31V75.6Confident79.4Confident19 Ų1952.7 Ų52.712%0.11528%0.283CS..  trans-66.5126.9-178.8169.70000110.4S28 V29 E35 L36S28-V31 WeakPolarHBondContact O-CB 3.41Å; S28-V31 WeakPolarHBondContact O-CG2 3.48Å; S28-V31 PolarHBondContact O-N 3.12Å; S28-V31 WeakPolarHBondContact OG-CG2 3.45Å; V29-V31 PolarHBondContact O-N 3.3Å; V31-E35 HydrophobicContact CG1-CB 3.86Å; V31-L36 HydrophobicContact CG1-CB 4.06Å
32K78.4Confident79.6Confident139 Ų13957.3 Ų57.360%0.60430%0.302SS*.  trans-72.5150174.7-69.7-179.3-179.6174.90110.4G30 T34 E35 L36G30-K32 PolarHBondContact O-N 3Å; K32-T34 PolarHBondContact O-N 3.5Å; K32-T34 VanDerWaalsContact O-N 3.11Å; K32-E35 HydrophobicContact CB-CG 4.31Å; K32-E35 PolarHBondContact N-OE2 3.5Å; K32-E35 WeakPolarHBondContact O-CA 3.34Å; K32-E35 WeakPolarHBondContact O-CB 3.46Å; K32-E35 PolarHBondContact O-N 3.25Å; K32-L36 PolarHBondContact O-N 3.48Å
33M76.4Confident79.5Confident55 Ų5560.7 Ų60.727%0.27132%0.316SS..Hα-helixtrans-52.7-36.9175.8-177.958.271.300112.9L36 K37 L65 M68 F85M33-L36 PolarHBondContact O-N 3.07Å; M33-L36 HydrophobicContact SD-CD2 4.39Å; M33-K37 WeakPolarHBondContact O-CB 3.45Å; M33-K37 VanDerWaalsContact O-CG 3.27Å; M33-K37 WeakPolarHBondContact O-CG 3.27Å; M33-K37 PolarHBondContact O-N 3.36Å; M33-K37 HydrophobicContact SD-CG 4.44Å; M33-L65 HydrophobicContact CE-CD1 3.86Å; M33-M68 HydrophobicContact CE-SD 3.81Å; M33-F85 HydrophobicContact CE-CB 4.11Å; M33-F85 HydrophobicContact CE-CD2 3.71Å; M33-F85 HydrophobicContact CE-CE2 4.37Å; M33-F85 HydrophobicContact CE-CG 4.04Å; M33-F85 HydrophobicContact SD-CD2 3.33Å; M33-F85 WeakPolarHBondContact SD-CD2 3.17Å; M33-F85 HydrophobicContact SD-CE2 3.83Å; M33-F85 HydrophobicContact SD-CG 4.23Å
34T80.3Confident78.4Confident90 Ų9060.7 Ų60.755%0.55232%0.318SS*.Hα-helixtrans-62-43.2175.847.40000112.2K32 K37 D38K32-T34 PolarHBondContact O-N 3.5Å; K32-T34 VanDerWaalsContact O-N 3.11Å; T34-K37 PolarHBondContact O-N 3.27Å; T34-D38 VanDerWaalsContact O-CG 3.24Å; T34-D38 PolarHBondContact O-N 2.58Å
35E82.5Confident77.3Confident90 Ų9064.6 Ų64.642%0.42135%0.354SS..Hα-helixtrans-67-43.4178-66.5163.4-173.400110.6V31 K32 K37 D38 M39V31-E35 HydrophobicContact CG1-CB 3.86Å; K32-E35 HydrophobicContact CB-CG 4.31Å; K32-E35 PolarHBondContact N-OE2 3.5Å; K32-E35 WeakPolarHBondContact O-CA 3.34Å; K32-E35 WeakPolarHBondContact O-CB 3.46Å; K32-E35 PolarHBondContact O-N 3.25Å; E35-K37 VanDerWaalsContact C-N 3.32Å; E35-K37 PolarHBondContact O-N 3.19Å; E35-D38 PolarHBondContact O-N 3.49Å; E35-D38 VanDerWaalsContact O-N 3.12Å; E35-M39 VanDerWaalsContact O-CG 3.29Å; E35-M39 WeakPolarHBondContact O-CG 3.41Å; E35-M39 PolarHBondContact O-N 3.06Å
36L82.4Confident76Confident0 Ų066.2 Ų66.20%037%0.372CS..Hα-helixtrans-59.6-42.4174.9-172.668.1000112L6 Y27 V31 K32 M33 D38 M39 L40 L65 F85L6-L36 HydrophobicContact CD1-CD1 3.83Å; L6-L36 HydrophobicContact CD2-CD1 4.2Å; Y27-L36 HydrophobicContact CD1-CD1 4.47Å; Y27-L36 HydrophobicContact CG-CD1 4.34Å; V31-L36 HydrophobicContact CG1-CB 4.06Å; K32-L36 PolarHBondContact O-N 3.48Å; M33-L36 PolarHBondContact O-N 3.07Å; M33-L36 HydrophobicContact SD-CD2 4.39Å; L36-D38 VanDerWaalsContact C-N 3.32Å; L36-D38 PolarHBondContact O-N 2.73Å; L36-M39 PolarHBondContact O-N 3.44Å; L36-L40 PolarHBondContact O-N 2.84Å; L36-L40 VanDerWaalsContact O-N 3.08Å; L36-L65 HydrophobicContact CD2-CD1 4.43Å; L36-F85 HydrophobicContact CD2-CE2 3.95Å; L36-F85 HydrophobicContact CD2-CZ 4.2Å
37K85.1Confident75.6Confident57 Ų5771.4 Ų71.425%0.24839%0.392CS..Hα-helixtrans-61.9-41.2174.9-73.7-173.6175.4-174.20111.4M33 T34 E35 L40 K41 W88M33-K37 WeakPolarHBondContact O-CB 3.45Å; M33-K37 VanDerWaalsContact O-CG 3.27Å; M33-K37 WeakPolarHBondContact O-CG 3.27Å; M33-K37 PolarHBondContact O-N 3.36Å; M33-K37 HydrophobicContact SD-CG 4.44Å; T34-K37 PolarHBondContact O-N 3.27Å; E35-K37 VanDerWaalsContact C-N 3.32Å; E35-K37 PolarHBondContact O-N 3.19Å; K37-L40 PolarHBondContact O-N 3.06Å; K37-K41 WeakPolarHBondContact O-CB 3.35Å; K37-K41 VanDerWaalsContact O-CG 3.26Å; K37-K41 WeakPolarHBondContact O-CG 3.32Å; K37-K41 PolarHBondContact O-N 2.91Å; K37-W88 HydrophobicContact CB-CH2 3.75Å; K37-W88 HydrophobicContact CB-CZ2 3.73Å; K37-W88 HydrophobicContact CB-CZ3 4.36Å; K37-W88 HydrophobicContact CD-CD2 3.94Å; K37-W88 HydrophobicContact CD-CE3 4.21Å; K37-W88 HydrophobicContact CD-CG 4.48Å; K37-W88 HydrophobicContact CD-CH2 4.4Å; K37-W88 HydrophobicContact CD-CZ2 4.11Å; K37-W88 HydrophobicContact CD-CZ3 4.44Å; K37-W88 HydrophobicContact CG-CD2 4.05Å; K37-W88 HydrophobicContact CG-CE3 3.9Å; K37-W88 HydrophobicContact CG-CH2 3.55Å; K37-W88 HydrophobicContact CG-CZ2 3.67Å; K37-W88 HydrophobicContact CG-CZ3 3.66Å
38D84.3Confident75.8Confident80 Ų8070.7 Ų70.743%0.42839%0.389SS..Hα-helixtrans-70.6-35.9179.7-67.6-21.7000112.1T34 E35 L36 K41 Q42T34-D38 VanDerWaalsContact O-CG 3.24Å; T34-D38 PolarHBondContact O-N 2.58Å; E35-D38 PolarHBondContact O-N 3.49Å; E35-D38 VanDerWaalsContact O-N 3.12Å; L36-D38 VanDerWaalsContact C-N 3.32Å; L36-D38 PolarHBondContact O-N 2.73Å; D38-K41 PolarHBondContact O-N 2.84Å; D38-K41 IonicContact OD1-NZ 2.69Å; D38-K41 PolarHBondContact OD1-NZ 2.77Å; D38-K41 VanDerWaalsContact OD1-NZ 3.16Å; D38-Q42 PolarHBondContact O-N 3.21Å
39M84.4Confident76.4Confident49 Ų4972.6 Ų72.624%0.24139%0.386CS..Hα-helixtrans-60.7-45.3171.3-67.8172.480.600111.9I25 R26 E35 L36 Q42 Y43I25-M39 HydrophobicContact CG2-CB 4.04Å; I25-M39 HydrophobicContact CG2-CE 3.44Å; I25-M39 VanDerWaalsContact CG2-CE 3.44Å; I25-M39 HydrophobicContact CG2-SD 4.43Å; R26-M39 WeakPolarHBondContact O-CE 3.38Å; E35-M39 VanDerWaalsContact O-CG 3.29Å; E35-M39 WeakPolarHBondContact O-CG 3.41Å; E35-M39 PolarHBondContact O-N 3.06Å; L36-M39 PolarHBondContact O-N 3.44Å; M39-Q42 PolarHBondContact O-N 2.82Å; M39-Y43 WeakPolarHBondContact O-CD2 3.22Å
40L82.2Confident77.4Confident0 Ų070 Ų700%037%0.37CS..Hα-helixtrans-68.5-35176.4-75.9166.4000112.1I25 L36 K37 Q42 Y43 W88 L89I25-L40 HydrophobicContact CD1-CD2 3.88Å; L36-L40 PolarHBondContact O-N 2.84Å; L36-L40 VanDerWaalsContact O-N 3.08Å; K37-L40 PolarHBondContact O-N 3.06Å; L40-Q42 VanDerWaalsContact C-N 3.26Å; L40-Q42 PolarHBondContact O-N 3.36Å; L40-Y43 PolarHBondContact O-N 2.79Å; L40-Y43 VanDerWaalsContact O-N 3.12Å; L40-W88 HydrophobicContact CB-CH2 4.01Å; L40-W88 HydrophobicContact CD1-CH2 3.93Å; L40-W88 HydrophobicContact CD1-CZ3 3.86Å; L40-L89 HydrophobicContact CD1-CD1 3.93Å
41K80.9Confident78.5Confident98 Ų9866.9 Ų66.943%0.42634%0.338SS..Hα-helixtrans-61.5-31176.6-81.3174.6-169.2164.20113.4K37 D38 Y43 T44 W88K37-K41 WeakPolarHBondContact O-CB 3.35Å; K37-K41 VanDerWaalsContact O-CG 3.26Å; K37-K41 WeakPolarHBondContact O-CG 3.32Å; K37-K41 PolarHBondContact O-N 2.91Å; D38-K41 PolarHBondContact O-N 2.84Å; D38-K41 IonicContact OD1-NZ 2.69Å; D38-K41 PolarHBondContact OD1-NZ 2.77Å; D38-K41 VanDerWaalsContact OD1-NZ 3.16Å; K41-Y43 PolarHBondContact O-N 2.93Å; K41-T44 HydrophobicContact CB-CG2 4.42Å; K41-T44 HydrophobicContact CG-CG2 4.37Å; K41-T44 WeakPolarHBondContact O-CB 3.44Å; K41-T44 PolarHBondContact O-N 3.2Å; K41-T44 PolarHBondContact O-OG1 3.03Å; K41-W88 HydrophobicContact CG-CZ2 4.48Å
42Q77.1Confident79.1Confident151 Ų15166 Ų6671%0.70633%0.332SS*.THydrogen-bonded Turntrans-58.4-23.4176.5-68.9176.111.100112.8D38 M39 L40D38-Q42 PolarHBondContact O-N 3.21Å; M39-Q42 PolarHBondContact O-N 2.82Å; L40-Q42 VanDerWaalsContact C-N 3.26Å; L40-Q42 PolarHBondContact O-N 3.36Å
43Y72.8Confident79.5Confident71 Ų7159.6 Ų59.628%0.27831%0.305SS..THydrogen-bonded Turntrans-100.11.2178.2-60.7-89.1000113.4N23 I25 M39 L40 K41 A45 G46N23-Y43 HydrophobicContact CB-CD1 4.21Å; N23-Y43 HydrophobicContact CB-CE1 3.65Å; I25-Y43 HydrophobicContact CD1-CD2 3.58Å; I25-Y43 HydrophobicContact CD1-CE2 3.59Å; I25-Y43 HydrophobicContact CD1-CG 4.48Å; I25-Y43 HydrophobicContact CG1-CD2 4.26Å; I25-Y43 HydrophobicContact CG1-CE2 3.75Å; M39-Y43 WeakPolarHBondContact O-CD2 3.22Å; L40-Y43 PolarHBondContact O-N 2.79Å; L40-Y43 VanDerWaalsContact O-N 3.12Å; K41-Y43 PolarHBondContact O-N 2.93Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.06Å; Y43-G46 CarbonylContact O-C 3.25Å; Y43-G46 PolarHBondContact O-N 3.1Å; Y43-G46 VanDerWaalsContact O-N 3.17Å
44T62.3Low79.7Confident55 Ų5557.1 Ų57.134%0.33729%0.293SS..G310 helixtrans-71.7-20.3-177.5570000114.4K41 G46 R47 V93K41-T44 HydrophobicContact CB-CG2 4.42Å; K41-T44 HydrophobicContact CG-CG2 4.37Å; K41-T44 WeakPolarHBondContact O-CB 3.44Å; K41-T44 PolarHBondContact O-N 3.2Å; K41-T44 PolarHBondContact O-OG1 3.03Å; T44-G46 PolarHBondContact O-N 2.79Å; T44-G46 VanDerWaalsContact O-N 3.09Å; T44-R47 PolarHBondContact O-N 2.84Å; T44-V93 HydrophobicContact CG2-CG1 4.49Å
45A60.1Low79.3Confident108 Ų10853.1 Ų53.189%0.89327%0.268SS*.G310 helixtrans-61.7-15.1170.900000112.8Y43Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.06Å
46G58.8Low78.5Confident40 Ų4054 Ų5441%0.41227%0.272SS..G310 helixtrans-135.749.2176.300000112.7S2 Y43 T44 I48S2-G46 WeakPolarHBondContact CB-O 3.4Å; S2-G46 PolarHBondContact OG-O 3.45Å; Y43-G46 CarbonylContact O-C 3.25Å; Y43-G46 PolarHBondContact O-N 3.1Å; Y43-G46 VanDerWaalsContact O-N 3.17Å; T44-G46 PolarHBondContact O-N 2.79Å; T44-G46 VanDerWaalsContact O-N 3.09Å; G46-I48 PolarHBondContact O-N 3.36Å
47R76.3Confident77.5Confident187 Ų18754.6 Ų54.671%0.70628%0.275SS*.  trans23.399.8152.9-95.8-175.5-165.9-168.87.9115.6T44 I95T44-R47 PolarHBondContact O-N 2.84Å; R47-I95 HydrophobicContact CB-CG2 3.35Å; R47-I95 HydrophobicContact CG-CG2 3.7Å
48I86Confident76.4Confident0 Ų064 Ų640%031%0.31CS..EExtended strand (participates in β ladder)trans-70.8129.1-171-56.2178.5000112S2 V4 G46 N50 L51 V93 L94 I95S2-I48 VanDerWaalsContact OG-CA 3.29Å; S2-I48 WeakPolarHBondContact OG-CA 3.38Å; V4-I48 HydrophobicContact CB-CD1 4.01Å; V4-I48 HydrophobicContact CB-CG2 4.36Å; V4-I48 HydrophobicContact CG1-CD1 4.42Å; V4-I48 HydrophobicContact CG2-CD1 3.63Å; V4-I48 HydrophobicContact CG2-CG1 3.91Å; V4-I48 HydrophobicContact CG2-CG2 4.24Å; G46-I48 PolarHBondContact O-N 3.36Å; I48-N50 WeakPolarHBondContact CG2-O 3.05Å; I48-L51 HydrophobicContact CG2-CB 4.13Å; I48-V93 HydrophobicContact CD1-CG1 3.59Å; I48-V93 HydrophobicContact CG1-CG1 4.23Å; I48-V93 PolarHBondContact N-O 3.35Å; I48-L94 HydrophobicContact CB-CD2 3.98Å; I48-L94 HydrophobicContact CG2-CD2 4.01Å; I48-I95 PolarHBondContact O-N 3.46Å
49R85.3Confident75.6Confident103 Ų10363 Ų6339%0.38930%0.304SS..EExtended strand (participates in β ladder)trans-93.7-43.7172.6-174-165.1-162.5148.4-10.5112.1M1 S2 I95 A98 F99M1-R49 HydrophobicContact CB-CB 3.81Å; M1-R49 HydrophobicContact CG-CB 4.47Å; M1-R49 HydrophobicContact SD-CB 3.97Å; M1-R49 WeakPolarHBondContact SD-CD 3.4Å; M1-R49 HydrophobicContact SD-CG 3.86Å; M1-R49 PolarHBondContact SD-NH1 3.29Å; S2-R49 PolarHBondContact O-N 3Å; R49-I95 HydrophobicContact CB-CD1 3.93Å; R49-I95 HydrophobicContact CB-CG1 4.47Å; R49-I95 HydrophobicContact CG-CD1 4.09Å; R49-A98 CarbonylContact O-C 3.56Å; R49-A98 WeakPolarHBondContact O-CA 3.47Å; R49-A98 WeakPolarHBondContact O-CB 3.5Å; R49-F99 PolarHBondContact O-N 3.42Å
50N87Confident74.7Confident12 Ų1264.4 Ų64.46%0.06432%0.315CS..EExtended strand (participates in β ladder)trans-122.2116.3-177.2-54.3-47.5000109S2 T3 V4 I48 I149S2-N50 PolarHBondContact O-N 3.47Å; T3-N50 WeakPolarHBondContact CA-O 3.46Å; T3-N50 HydrophobicContact CG2-CB 4.06Å; T3-N50 PolarHBondContact OG1-ND2 3.27Å; V4-N50 PolarHBondContact N-O 2.95Å; I48-N50 WeakPolarHBondContact CG2-O 3.05Å; N50-I149 HydrophobicContact CB-CG2 4.1Å; N50-I149 WeakPolarHBondContact ND2-CG2 3.19Å
51L90.2Very high74.1Confident1 Ų168.3 Ų68.31%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-115.8106.8177.617965.6000109.8V4 I48 L53 L89 L94 F99 I100 D101 Y150V4-L51 HydrophobicContact CB-CD1 4.17Å; V4-L51 HydrophobicContact CG1-CD1 4.15Å; V4-L51 CarbonylContact O-C 3.51Å; V4-L51 WeakPolarHBondContact O-CA 3.45Å; I48-L51 HydrophobicContact CG2-CB 4.13Å; L51-L53 HydrophobicContact CD2-CD2 4.26Å; L51-L53 HydrophobicContact CG-CD2 4.22Å; L51-L89 HydrophobicContact CD2-CD1 3.88Å; L51-L89 HydrophobicContact CD2-CD2 3.77Å; L51-L89 HydrophobicContact CD2-CG 4.12Å; L51-L94 HydrophobicContact CB-CD2 3.99Å; L51-L94 HydrophobicContact CD2-CD2 4.1Å; L51-F99 PolarHBondContact N-O 2.97Å; L51-I100 WeakPolarHBondContact O-CA 3.24Å; L51-D101 PolarHBondContact O-N 3.4Å; L51-Y150 PolarHBondContact O-OH 3.5Å
52G88.4Confident73.9Confident0 Ų063.9 Ų63.90%031%0.313CS..EExtended strand (participates in β ladder)trans-87.9123.1173.300000110.3V4 I5 L6 D101 Y150V4-G52 PolarHBondContact O-N 3.22Å; I5-G52 CarbonylContact C-O 3.59Å; I5-G52 WeakPolarHBondContact CA-O 3.48Å; L6-G52 PolarHBondContact N-O 2.94Å; G52-D101 CarbonylContact C-O 3.58Å; G52-D101 WeakPolarHBondContact CA-O 3.38Å; G52-Y150 WeakPolarHBondContact CA-OH 3.5Å; G52-Y150 PolarHBondContact N-OH 2.95Å; G52-Y150 VanDerWaalsContact N-OH 3.07Å
53L87.6Confident73.8Confident4 Ų460.8 Ų60.82%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-101.697.7172.2-61.4178.6000107.9L6 L51 I55 I64 F86 I100 D101 F102 L103L6-L53 HydrophobicContact CB-CD2 4Å; L6-L53 HydrophobicContact CD2-CD2 3.84Å; L6-L53 HydrophobicContact CG-CD2 4.48Å; L51-L53 HydrophobicContact CD2-CD2 4.26Å; L51-L53 HydrophobicContact CG-CD2 4.22Å; L53-I55 PolarHBondContact O-N 3.4Å; L53-I64 HydrophobicContact CD1-CD1 4.25Å; L53-F86 HydrophobicContact CD1-CE1 4.33Å; L53-F86 HydrophobicContact CD1-CZ 4.39Å; L53-I100 HydrophobicContact CD1-CG2 3.8Å; L53-I100 HydrophobicContact CG-CG2 4.3Å; L53-D101 PolarHBondContact N-O 3.35Å; L53-F102 HydrophobicContact CB-CD1 4.2Å; L53-F102 HydrophobicContact CD1-CD1 4.07Å; L53-F102 HydrophobicContact CD1-CE1 3.63Å; L53-F102 HydrophobicContact CD1-CZ 4.02Å; L53-L103 PolarHBondContact O-N 3.19Å
54H79.8Confident73.8Confident4 Ų457.7 Ų57.72%0.01928%0.283CS..EExtended strand (participates in β ladder)trans-83112.5178-177.9-117.8000110.4I5 L6 C7 S11 L14 L103I5-H54 HydrophobicContact CG2-CB 4.31Å; L6-H54 PolarHBondContact O-N 3.39Å; C7-H54 HydrophobicContact CB-CB 3.73Å; S11-H54 WeakPolarHBondContact CB-ND1 3.2Å; S11-H54 PolarHBondContact OG-CE1 3.14Å; S11-H54 PolarHBondContact OG-ND1 3.49Å; L14-H54 HydrophobicContact CD1-CB 4.49Å; H54-L103 WeakPolarHBondContact CA-O 3.39Å; H54-L103 HydrophobicContact CB-CB 4.44Å; H54-L103 PolarHBondContact CD2-O 3Å
55I72.6Confident74.4Confident5 Ų556.3 Ų56.33%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-119.2116.8-175-61.5169.7000108.8L53 T57 L62 R63 I64 F102 L103 L104L53-I55 PolarHBondContact O-N 3.4Å; I55-T57 HydrophobicContact CG2-CG2 3.48Å; I55-T57 VanDerWaalsContact CG2-CG2 3.48Å; I55-L62 HydrophobicContact CD1-CD1 3.38Å; I55-L62 HydrophobicContact CD1-CG 4.17Å; I55-L62 HydrophobicContact CG2-CD1 4.28Å; I55-R63 WeakPolarHBondContact CG2-O 2.98Å; I55-I64 HydrophobicContact CD1-CG1 4.1Å; I55-F102 HydrophobicContact CD1-CD1 3.78Å; I55-F102 HydrophobicContact CD1-CE1 4.14Å; I55-L103 PolarHBondContact N-O 3.12Å; I55-L103 VanDerWaalsContact N-O 3.08Å; I55-L104 HydrophobicContact CB-CD2 3.86Å; I55-L104 HydrophobicContact CD1-CD2 4.35Å; I55-L104 HydrophobicContact CG2-CD2 4.39Å
56Q64.3Low74.7Confident108 Ų10857.8 Ų57.851%0.50526%0.262SS..  trans-99.294.2177.6-171.9174.4300108.7T105Q56-T105 HydrophobicContact CG-CG2 4.5Å
57T63Low75.3Confident13 Ų1363.7 Ų63.78%0.0828%0.284CS..  trans-112.2139.7176.856.60000110.7I55 D59 K61 T106I55-T57 HydrophobicContact CG2-CG2 3.48Å; I55-T57 VanDerWaalsContact CG2-CG2 3.48Å; T57-D59 PolarHBondContact OG1-O 3.08Å; T57-K61 WeakPolarHBondContact CG2-O 2.84Å; T57-T106 PolarHBondContact O-OG1 2.94Å; T57-T106 PolarHBondContact OG1-OG1 3.15Å
58R60.9Low75.3Confident256 Ų25655.1 Ų55.197%0.96625%0.252SS*.SBendtrans-92-16.2170.1-66.8-174.4-177.6-179.62.2112.1
59D66.8Low75.2Confident58 Ų5858.1 Ų58.131%0.3127%0.267SS..SBendtrans-104.7170.4175.656.62.7000110.7T57 K61 R63T57-D59 PolarHBondContact OG1-O 3.08Å; D59-K61 PolarHBondContact O-N 3.21Å; D59-R63 IonicContact OD2-CZ 2.83Å; D59-R63 IonicContact OD2-NH1 2.86Å; D59-R63 PolarHBondContact OD2-NH1 3.22Å; D59-R63 IonicContact OD2-NH2 2.75Å
60T66.3Low75.2Confident78 Ų7853.4 Ų53.448%0.47925%0.249SC..SBendtrans-78.39.2177.851.50000113
61K70.1Confident75.2Confident82 Ų8254.6 Ų54.636%0.35726%0.257SS..  trans-98.4138.2-175.6-68.5173.4165.8-104.70110.9T57 D59 E69T57-K61 WeakPolarHBondContact CG2-O 2.84Å; D59-K61 PolarHBondContact O-N 3.21Å; K61-E69 VanDerWaalsContact NZ-CD 3.3Å; K61-E69 IonicContact NZ-OE1 3.45Å; K61-E69 PolarHBondContact NZ-OE1 3.39Å; K61-E69 IonicContact NZ-OE2 3.16Å; K61-E69 PolarHBondContact NZ-OE2 3.48Å
62L76.1Confident74.9Confident5 Ų558.5 Ų58.53%0.02627%0.274CS..  trans-91.1109.6178.5-171.366.6000110.1I55 E69 V70 F102 L104 I108 I114I55-L62 HydrophobicContact CD1-CD1 3.38Å; I55-L62 HydrophobicContact CD1-CG 4.17Å; I55-L62 HydrophobicContact CG2-CD1 4.28Å; L62-E69 WeakPolarHBondContact O-CA 3.28Å; L62-V70 HydrophobicContact CB-CB 4.25Å; L62-V70 HydrophobicContact CD2-CB 3.78Å; L62-V70 HydrophobicContact CD2-CG1 3.83Å; L62-V70 HydrophobicContact CG-CB 3.99Å; L62-V70 HydrophobicContact CG-CG2 4.49Å; L62-V70 PolarHBondContact O-N 2.97Å; L62-F102 HydrophobicContact CD1-CD1 4.2Å; L62-F102 HydrophobicContact CD2-CD1 4.19Å; L62-F102 HydrophobicContact CD2-CE1 3.91Å; L62-F102 HydrophobicContact CD2-CZ 4.37Å; L62-L104 HydrophobicContact CD1-CD2 3.71Å; L62-I108 HydrophobicContact CB-CD1 4.41Å; L62-I108 HydrophobicContact CD1-CD1 4.25Å; L62-I108 HydrophobicContact CD2-CD1 4.04Å; L62-I108 HydrophobicContact CG-CD1 4.5Å; L62-I114 HydrophobicContact CD2-CD1 4.17Å; L62-I114 HydrophobicContact CD2-CG2 3.86Å
63R74.7Confident74.9Confident86 Ų8665.7 Ų65.733%0.32531%0.307SS..BIsolated β-bridgetrans-123.8131.2176.7-66-172.5-176.6114.32.2111.6I55 D59 M68 E69I55-R63 WeakPolarHBondContact CG2-O 2.98Å; D59-R63 IonicContact OD2-CZ 2.83Å; D59-R63 IonicContact OD2-NH1 2.86Å; D59-R63 PolarHBondContact OD2-NH1 3.22Å; D59-R63 IonicContact OD2-NH2 2.75Å; R63-M68 WeakPolarHBondContact CA-O 3.41Å; R63-E69 HydrophobicContact CG-CB 4.32Å; R63-E69 HydrophobicContact CG-CG 4.38Å; R63-E69 IonicContact CZ-OE2 3.42Å; R63-E69 IonicContact NE-OE2 2.83Å; R63-E69 IonicContact NH2-OE2 3.3Å; R63-E69 PolarHBondContact NH2-OE2 3.1Å
64I73.5Confident74.9Confident7 Ų766.5 Ų66.54%0.03631%0.313CS..SBendtrans-94.6-44.5174.6-61.1-177.5000110.5Y27 L53 I55 M68 V70 F85 F86Y27-I64 VanDerWaalsContact CE2-O 3.26Å; Y27-I64 WeakPolarHBondContact CE2-O 3.39Å; Y27-I64 PolarHBondContact OH-O 2.91Å; L53-I64 HydrophobicContact CD1-CD1 4.25Å; I55-I64 HydrophobicContact CD1-CG1 4.1Å; I64-M68 HydrophobicContact CB-CE 4.03Å; I64-M68 HydrophobicContact CB-SD 4.38Å; I64-M68 HydrophobicContact CD1-CE 3.73Å; I64-M68 HydrophobicContact CG1-CE 4.25Å; I64-M68 HydrophobicContact CG2-CE 4.5Å; I64-M68 PolarHBondContact N-O 2.94Å; I64-V70 HydrophobicContact CD1-CG2 3.99Å; I64-V70 HydrophobicContact CG1-CG2 4.02Å; I64-F85 HydrophobicContact CD1-CE1 4.39Å; I64-F86 HydrophobicContact CD1-CE2 3.96Å; I64-F86 HydrophobicContact CD1-CZ 3.7Å
65L74.2Confident75.4Confident25 Ų2566.4 Ų66.413%0.13131%0.313CS..SBendtrans-122.9163.4170-63.5169.5000108Y27 M33 L36 D67 M68Y27-L65 HydrophobicContact CD2-CD2 3.97Å; Y27-L65 HydrophobicContact CE2-CD2 3.89Å; M33-L65 HydrophobicContact CE-CD1 3.86Å; L36-L65 HydrophobicContact CD2-CD1 4.43Å; L65-D67 PolarHBondContact O-N 3.4Å; L65-D67 VanDerWaalsContact O-N 3.17Å; L65-M68 HydrophobicContact CB-CB 3.9Å; L65-M68 PolarHBondContact O-N 2.93Å
66E67Low76Confident139 Ų13971.7 Ų71.765%0.6534%0.337SS*.THydrogen-bonded Turntrans-52.6-40.5-176.7-160.7168.8-167.900112.4V29V29-E66 HydrophobicContact CG1-CB 4.03Å; V29-E66 HydrophobicContact CG1-CG 4.36Å; V29-E66 WeakPolarHBondContact CG1-OE2 3.41Å
67D70.8Confident77.1Confident164 Ų16471.1 Ų71.188%0.87734%0.338SS*.THydrogen-bonded Turntrans-93.99.8179.7-59.1-36.3000114.3L65L65-D67 PolarHBondContact O-N 3.4Å; L65-D67 VanDerWaalsContact O-N 3.17Å
68M77.8Confident78.1Confident8 Ų873.2 Ų73.24%0.03936%0.357CS..  trans-123.775.1-170.5-162.6-178.8136.200111.7M33 R63 I64 L65 V70 V82 F85 F86M33-M68 HydrophobicContact CE-SD 3.81Å; R63-M68 WeakPolarHBondContact CA-O 3.41Å; I64-M68 HydrophobicContact CB-CE 4.03Å; I64-M68 HydrophobicContact CB-SD 4.38Å; I64-M68 HydrophobicContact CD1-CE 3.73Å; I64-M68 HydrophobicContact CG1-CE 4.25Å; I64-M68 HydrophobicContact CG2-CE 4.5Å; I64-M68 PolarHBondContact N-O 2.94Å; L65-M68 HydrophobicContact CB-CB 3.9Å; L65-M68 PolarHBondContact O-N 2.93Å; M68-V70 HydrophobicContact CE-CG2 4.36Å; M68-V82 HydrophobicContact CE-CG1 4.3Å; M68-V82 HydrophobicContact CG-CG2 3.65Å; M68-F85 HydrophobicContact CE-CB 4.25Å; M68-F85 HydrophobicContact CE-CD1 3.44Å; M68-F85 VanDerWaalsContact CE-CD1 3.44Å; M68-F85 HydrophobicContact CE-CE1 4.01Å; M68-F85 HydrophobicContact CE-CG 4.01Å; M68-F85 HydrophobicContact SD-CD1 4.41Å; M68-F85 HydrophobicContact SD-CG 4.48Å; M68-F86 HydrophobicContact CE-CE2 4.14Å
69E83Confident79.2Confident63 Ų6363.4 Ų63.429%0.29434%0.335SS..BIsolated β-bridgetrans-78.6118.2171.9-164.6169.8144.900110.5K61 L62 R63 T71 S74K61-E69 VanDerWaalsContact NZ-CD 3.3Å; K61-E69 IonicContact NZ-OE1 3.45Å; K61-E69 PolarHBondContact NZ-OE1 3.39Å; K61-E69 IonicContact NZ-OE2 3.16Å; K61-E69 PolarHBondContact NZ-OE2 3.48Å; L62-E69 WeakPolarHBondContact O-CA 3.28Å; R63-E69 HydrophobicContact CG-CB 4.32Å; R63-E69 HydrophobicContact CG-CG 4.38Å; R63-E69 IonicContact CZ-OE2 3.42Å; R63-E69 IonicContact NE-OE2 2.83Å; R63-E69 IonicContact NH2-OE2 3.3Å; R63-E69 PolarHBondContact NH2-OE2 3.1Å; E69-T71 HydrophobicContact CG-CG2 4.04Å; E69-T71 PolarHBondContact O-N 3.29Å; E69-S74 PolarHBondContact O-OG 3.34Å
70V85.6Confident80.2Confident3 Ų361.6 Ų61.62%0.01833%0.327CS..  trans-89.4103.6-178.9-177.10000108.4L62 I64 M68 L75 V82 F86 I114L62-V70 HydrophobicContact CB-CB 4.25Å; L62-V70 HydrophobicContact CD2-CB 3.78Å; L62-V70 HydrophobicContact CD2-CG1 3.83Å; L62-V70 HydrophobicContact CG-CB 3.99Å; L62-V70 HydrophobicContact CG-CG2 4.49Å; L62-V70 PolarHBondContact O-N 2.97Å; I64-V70 HydrophobicContact CD1-CG2 3.99Å; I64-V70 HydrophobicContact CG1-CG2 4.02Å; M68-V70 HydrophobicContact CE-CG2 4.36Å; V70-L75 HydrophobicContact CG1-CD1 3.76Å; V70-L75 HydrophobicContact CG1-CG 4.19Å; V70-V82 HydrophobicContact CG1-CG1 4.37Å; V70-V82 HydrophobicContact CG2-CG1 4.15Å; V70-F86 HydrophobicContact CG1-CE2 4.34Å; V70-F86 HydrophobicContact CG2-CE2 4.2Å; V70-I114 HydrophobicContact CG1-CG2 4.04Å
71T86.6Confident81.1Confident38 Ų3866.1 Ų66.123%0.23334%0.34CS..  trans-122.3164.3175.168.60000108.8E69 E73 S74 L75E69-T71 HydrophobicContact CG-CG2 4.04Å; E69-T71 PolarHBondContact O-N 3.29Å; T71-E73 PolarHBondContact O-N 2.94Å; T71-S74 PolarHBondContact N-OG 3.12Å; T71-S74 PolarHBondContact O-N 3.09Å; T71-S74 PolarHBondContact O-OG 2.71Å; T71-S74 PolarHBondContact OG1-N 2.81Å; T71-S74 PolarHBondContact OG1-OG 2.8Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 3.3Å
72K83.9Confident81.9Confident83 Ų8362.6 Ų62.636%0.36133%0.325SS..Hα-helixtrans-53.1-47.2171.5178.9-175.4173.3-1770110.9S74 L75 E76 Q113K72-S74 PolarHBondContact O-N 2.85Å; K72-L75 PolarHBondContact O-N 2.86Å; K72-E76 VanDerWaalsContact CE-CD 3.46Å; K72-E76 WeakPolarHBondContact CE-OE1 3.28Å; K72-E76 HydrophobicContact CG-CG 4.28Å; K72-E76 IonicContact NZ-OE1 2.98Å; K72-E76 WeakPolarHBondContact O-CB 3.44Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.01Å; K72-Q113 HydrophobicContact CD-CB 4.32Å
73E87.3Confident82.5Confident151 Ų15162.4 Ų62.471%0.70633%0.325SS*.Hα-helixtrans-61.9-40.6-179.5-63.1150.9179.800112.3T71 N77T71-E73 PolarHBondContact O-N 2.94Å; E73-N77 WeakPolarHBondContact O-CB 3.48Å; E73-N77 PolarHBondContact O-N 3.02Å; E73-N77 VanDerWaalsContact O-N 3.08Å
74S89.6Confident83.2Confident20 Ų2063 Ų6314%0.1433%0.331CS..Hα-helixtrans-71.5-31.3177.974.70000111.9E69 T71 K72 S80E69-S74 PolarHBondContact O-OG 3.34Å; T71-S74 PolarHBondContact N-OG 3.12Å; T71-S74 PolarHBondContact O-N 3.09Å; T71-S74 PolarHBondContact O-OG 2.71Å; T71-S74 PolarHBondContact OG1-N 2.81Å; T71-S74 PolarHBondContact OG1-OG 2.8Å; K72-S74 PolarHBondContact O-N 2.85Å; S74-S80 WeakPolarHBondContact O-CB 3.29Å; S74-S80 PolarHBondContact O-OG 2.67Å
75L88.6Confident83.9Confident3 Ų362.8 Ų62.82%0.01633%0.33CS..Hα-helixtrans-75.2-40175.1-73.3162.6000113.2V70 T71 K72 V82 S83 F86 I114 A117 V118 V121V70-L75 HydrophobicContact CG1-CD1 3.76Å; V70-L75 HydrophobicContact CG1-CG 4.19Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 3.3Å; K72-L75 PolarHBondContact O-N 2.86Å; L75-V82 HydrophobicContact CD2-CG1 3.81Å; L75-V82 HydrophobicContact CG-CG1 4.1Å; L75-S83 WeakPolarHBondContact O-CB 3.44Å; L75-S83 PolarHBondContact O-OG 3.49Å; L75-F86 HydrophobicContact CD2-CB 4.44Å; L75-F86 HydrophobicContact CD2-CD2 3.64Å; L75-F86 HydrophobicContact CD2-CE2 4.14Å; L75-F86 HydrophobicContact CD2-CG 4.16Å; L75-I114 HydrophobicContact CD1-CG2 4.21Å; L75-A117 HydrophobicContact CB-CB 3.73Å; L75-A117 HydrophobicContact CD1-CB 3.64Å; L75-A117 HydrophobicContact CG-CB 4.33Å; L75-V118 HydrophobicContact CD1-CG2 3.6Å; L75-V118 HydrophobicContact CD2-CG2 3.93Å; L75-V118 HydrophobicContact CG-CG2 4.45Å; L75-V121 HydrophobicContact CD2-CG2 3.88Å
76E85.4Confident84.7Confident115 Ų11561.6 Ų61.654%0.53732%0.324SS..Hα-helixtrans-71.2-32.6179.8-74.1179.1165.400112.7K72 A78K72-E76 VanDerWaalsContact CE-CD 3.46Å; K72-E76 WeakPolarHBondContact CE-OE1 3.28Å; K72-E76 HydrophobicContact CG-CG 4.28Å; K72-E76 IonicContact NZ-OE1 2.98Å; K72-E76 WeakPolarHBondContact O-CB 3.44Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.01Å; E76-A78 PolarHBondContact O-N 3.4Å
77N88.5Confident85.8Confident97 Ų9759.2 Ų59.252%0.51931%0.309SS..  trans-72.198.3173.4-178.4-4.3000110.5E73 G79 S80 S83E73-N77 WeakPolarHBondContact O-CB 3.48Å; E73-N77 PolarHBondContact O-N 3.02Å; E73-N77 VanDerWaalsContact O-N 3.08Å; N77-G79 PolarHBondContact O-N 3.47Å; N77-G79 PolarHBondContact OD1-N 3.36Å; N77-G79 VanDerWaalsContact OD1-N 3.14Å; N77-S80 VanDerWaalsContact O-CB 3.32Å; N77-S80 WeakPolarHBondContact O-CB 3.4Å; N77-S80 PolarHBondContact O-N 3.28Å; N77-S80 PolarHBondContact O-OG 2.98Å; N77-S83 WeakPolarHBondContact O-CB 3.36Å
78A82.8Confident86.7Confident57 Ų5753.2 Ų53.247%0.47127%0.274SS..THydrogen-bonded Turntrans-54.6-25.2-177.900000114.8E76 R87E76-A78 PolarHBondContact O-N 3.4Å; A78-R87 PolarHBondContact O-NH1 2.95Å
79G83.7Confident87.3Confident50 Ų5052.9 Ų52.952%0.51527%0.272SS..THydrogen-bonded Turntrans-86.1-11.3177.800000114.5N77 Q84N77-G79 PolarHBondContact O-N 3.47Å; N77-G79 PolarHBondContact OD1-N 3.36Å; N77-G79 VanDerWaalsContact OD1-N 3.14Å; G79-Q84 PolarHBondContact O-NE2 2.98Å
80S88.3Confident87.6Confident19 Ų1949.9 Ų49.913%0.13326%0.258CS..SBendtrans-66.5152.6178.989.60000111.7S74 N77 V82 S83 Q84S74-S80 WeakPolarHBondContact O-CB 3.29Å; S74-S80 PolarHBondContact O-OG 2.67Å; N77-S80 VanDerWaalsContact O-CB 3.32Å; N77-S80 WeakPolarHBondContact O-CB 3.4Å; N77-S80 PolarHBondContact O-N 3.28Å; N77-S80 PolarHBondContact O-OG 2.98Å; S80-V82 PolarHBondContact O-N 2.89Å; S80-V82 PolarHBondContact OG-N 3.45Å; S80-S83 PolarHBondContact O-N 3.41Å; S80-S83 WeakPolarHBondContact OG-CB 3.01Å; S80-S83 PolarHBondContact OG-N 2.89Å; S80-Q84 VanDerWaalsContact O-CG 3.31Å; S80-Q84 WeakPolarHBondContact O-CG 3.07Å; S80-Q84 PolarHBondContact O-N 3Å; S80-Q84 VanDerWaalsContact O-N 3.08Å
81F84.5Confident87.7Confident173 Ų17352 Ų5276%0.75927%0.273SS*.Hα-helixtrans-59.1-35173-76-75000112.6F85F81-F85 WeakPolarHBondContact O-CB 3.42Å; F81-F85 PolarHBondContact O-N 3.29Å
82V88.1Confident87.6Confident8 Ų856.1 Ų56.15%0.04829%0.29CS..Hα-helixtrans-66.1-50179.5-179.30000110.9M68 V70 L75 S80 Q84 F85 F86M68-V82 HydrophobicContact CE-CG1 4.3Å; M68-V82 HydrophobicContact CG-CG2 3.65Å; V70-V82 HydrophobicContact CG1-CG1 4.37Å; V70-V82 HydrophobicContact CG2-CG1 4.15Å; L75-V82 HydrophobicContact CD2-CG1 3.81Å; L75-V82 HydrophobicContact CG-CG1 4.1Å; S80-V82 PolarHBondContact O-N 2.89Å; S80-V82 PolarHBondContact OG-N 3.45Å; V82-Q84 PolarHBondContact O-N 2.94Å; V82-F85 PolarHBondContact O-N 3.43Å; V82-F86 HydrophobicContact CG1-CD2 3.99Å; V82-F86 HydrophobicContact CG1-CE2 4.12Å; V82-F86 WeakPolarHBondContact O-CD2 3.47Å; V82-F86 PolarHBondContact O-N 3.06Å
83S89.2Confident87.8Confident1 Ų152.2 Ų52.21%0.00727%0.273CS..Hα-helixtrans-63.2-42179.6-165.50000111L75 N77 S80 F85 R87 V121L75-S83 WeakPolarHBondContact O-CB 3.44Å; L75-S83 PolarHBondContact O-OG 3.49Å; N77-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 3.41Å; S80-S83 WeakPolarHBondContact OG-CB 3.01Å; S80-S83 PolarHBondContact OG-N 2.89Å; S83-F85 PolarHBondContact O-N 3.34Å; S83-R87 VanDerWaalsContact O-CB 3.24Å; S83-R87 WeakPolarHBondContact O-CB 3.23Å; S83-R87 PolarHBondContact O-N 2.96Å; S83-R87 PolarHBondContact OG-NH2 3.41Å; S83-R87 VanDerWaalsContact OG-NH2 3.08Å; S83-V121 VanDerWaalsContact O-CG1 3.3Å; S83-V121 WeakPolarHBondContact O-CG1 3.38Å
84Q87.8Confident87.8Confident98 Ų9845.2 Ų45.246%0.45824%0.24SC..Hα-helixtrans-63.6-38.9175.8-69.9-178.845.200113G79 S80 V82 W88G79-Q84 PolarHBondContact O-NE2 2.98Å; S80-Q84 VanDerWaalsContact O-CG 3.31Å; S80-Q84 WeakPolarHBondContact O-CG 3.07Å; S80-Q84 PolarHBondContact O-N 3Å; S80-Q84 VanDerWaalsContact O-N 3.08Å; V82-Q84 PolarHBondContact O-N 2.94Å; Q84-W88 WeakPolarHBondContact O-CB 3.35Å; Q84-W88 PolarHBondContact O-N 3Å; Q84-W88 VanDerWaalsContact O-N 3.14Å
85F89.4Confident87.7Confident3 Ų345.9 Ų45.91%0.01324%0.242CC..Hα-helixtrans-64.3-53.6176.5171.6-103.5000111.9M33 L36 I64 M68 F81 V82 S83 R87 W88 L89M33-F85 HydrophobicContact CE-CB 4.11Å; M33-F85 HydrophobicContact CE-CD2 3.71Å; M33-F85 HydrophobicContact CE-CE2 4.37Å; M33-F85 HydrophobicContact CE-CG 4.04Å; M33-F85 HydrophobicContact SD-CD2 3.33Å; M33-F85 WeakPolarHBondContact SD-CD2 3.17Å; M33-F85 HydrophobicContact SD-CE2 3.83Å; M33-F85 HydrophobicContact SD-CG 4.23Å; L36-F85 HydrophobicContact CD2-CE2 3.95Å; L36-F85 HydrophobicContact CD2-CZ 4.2Å; I64-F85 HydrophobicContact CD1-CE1 4.39Å; M68-F85 HydrophobicContact CE-CB 4.25Å; M68-F85 HydrophobicContact CE-CD1 3.44Å; M68-F85 VanDerWaalsContact CE-CD1 3.44Å; M68-F85 HydrophobicContact CE-CE1 4.01Å; M68-F85 HydrophobicContact CE-CG 4.01Å; M68-F85 HydrophobicContact SD-CD1 4.41Å; M68-F85 HydrophobicContact SD-CG 4.48Å; F81-F85 WeakPolarHBondContact O-CB 3.42Å; F81-F85 PolarHBondContact O-N 3.29Å; V82-F85 PolarHBondContact O-N 3.43Å; S83-F85 PolarHBondContact O-N 3.34Å; F85-R87 VanDerWaalsContact C-N 3.28Å; F85-R87 PolarHBondContact O-N 2.97Å; F85-W88 HydrophobicContact CD2-CE3 4.2Å; F85-W88 HydrophobicContact CD2-CZ3 4.43Å; F85-W88 HydrophobicContact CE2-CE3 4.23Å; F85-W88 HydrophobicContact CE2-CZ3 4.03Å; F85-W88 PolarHBondContact O-N 3.44Å; F85-L89 HydrophobicContact CE1-CD2 4.07Å; F85-L89 HydrophobicContact CZ-CD2 4.3Å; F85-L89 WeakPolarHBondContact O-CB 3.43Å; F85-L89 PolarHBondContact O-N 3.31Å
86F90.4Very high87.4Confident0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-63.6-35.1179.9-84.3-79000111.9L53 I64 M68 V70 L75 V82 L89 I90 F102 V118 V121L53-F86 HydrophobicContact CD1-CE1 4.33Å; L53-F86 HydrophobicContact CD1-CZ 4.39Å; I64-F86 HydrophobicContact CD1-CE2 3.96Å; I64-F86 HydrophobicContact CD1-CZ 3.7Å; M68-F86 HydrophobicContact CE-CE2 4.14Å; V70-F86 HydrophobicContact CG1-CE2 4.34Å; V70-F86 HydrophobicContact CG2-CE2 4.2Å; L75-F86 HydrophobicContact CD2-CB 4.44Å; L75-F86 HydrophobicContact CD2-CD2 3.64Å; L75-F86 HydrophobicContact CD2-CE2 4.14Å; L75-F86 HydrophobicContact CD2-CG 4.16Å; V82-F86 HydrophobicContact CG1-CD2 3.99Å; V82-F86 HydrophobicContact CG1-CE2 4.12Å; V82-F86 WeakPolarHBondContact O-CD2 3.47Å; V82-F86 PolarHBondContact O-N 3.06Å; F86-L89 HydrophobicContact CD1-CD2 4.14Å; F86-L89 HydrophobicContact CE1-CD2 4.31Å; F86-L89 PolarHBondContact O-N 2.95Å; F86-I90 WeakPolarHBondContact O-CB 3.5Å; F86-I90 WeakPolarHBondContact O-CD1 3.46Å; F86-I90 WeakPolarHBondContact O-CG1 3.5Å; F86-I90 PolarHBondContact O-N 3.25Å; F86-F102 HydrophobicContact CE1-CZ 4.19Å; F86-F102 HydrophobicContact CZ-CE1 4.35Å; F86-F102 AromaticContact CZ-CZ 3.86Å; F86-F102 HydrophobicContact CZ-CZ 3.86Å; F86-V118 HydrophobicContact CD1-CG1 3.7Å; F86-V118 HydrophobicContact CD1-CG2 4.41Å; F86-V118 HydrophobicContact CE1-CG1 3.89Å; F86-V118 HydrophobicContact CE1-CG2 4.2Å; F86-V118 HydrophobicContact CG-CG1 4.44Å; F86-V118 HydrophobicContact CZ-CG2 4.31Å; F86-V121 HydrophobicContact CB-CB 4.43Å; F86-V121 HydrophobicContact CB-CG1 4.09Å; F86-V121 HydrophobicContact CB-CG2 4.3Å
87R89.9Confident87.2Confident90 Ų9048.6 Ų48.634%0.3427%0.265SS..Hα-helixtrans-60-48.8174.7-167.2172.4-66.7117.48.1111.8A78 S83 F85 S91 V121A78-R87 PolarHBondContact O-NH1 2.95Å; S83-R87 VanDerWaalsContact O-CB 3.24Å; S83-R87 WeakPolarHBondContact O-CB 3.23Å; S83-R87 PolarHBondContact O-N 2.96Å; S83-R87 PolarHBondContact OG-NH2 3.41Å; S83-R87 VanDerWaalsContact OG-NH2 3.08Å; F85-R87 VanDerWaalsContact C-N 3.28Å; F85-R87 PolarHBondContact O-N 2.97Å; R87-S91 WeakPolarHBondContact O-CB 3.43Å; R87-S91 PolarHBondContact O-N 3.35Å; R87-S91 PolarHBondContact O-OG 3.31Å; R87-V121 HydrophobicContact CB-CG1 3.71Å; R87-V121 HydrophobicContact CG-CG1 4.47Å; R87-V121 PolarHBondContact NE-O 3.01Å
88W90.4Very high87.1Confident37 Ų3744 Ų4414%0.1424%0.24CC..Hα-helixtrans-63.7-45.6176.3166.878.6000112.2K37 L40 K41 Q84 F85 I90 S91 E92 V93K37-W88 HydrophobicContact CB-CH2 3.75Å; K37-W88 HydrophobicContact CB-CZ2 3.73Å; K37-W88 HydrophobicContact CB-CZ3 4.36Å; K37-W88 HydrophobicContact CD-CD2 3.94Å; K37-W88 HydrophobicContact CD-CE3 4.21Å; K37-W88 HydrophobicContact CD-CG 4.48Å; K37-W88 HydrophobicContact CD-CH2 4.4Å; K37-W88 HydrophobicContact CD-CZ2 4.11Å; K37-W88 HydrophobicContact CD-CZ3 4.44Å; K37-W88 HydrophobicContact CG-CD2 4.05Å; K37-W88 HydrophobicContact CG-CE3 3.9Å; K37-W88 HydrophobicContact CG-CH2 3.55Å; K37-W88 HydrophobicContact CG-CZ2 3.67Å; K37-W88 HydrophobicContact CG-CZ3 3.66Å; L40-W88 HydrophobicContact CB-CH2 4.01Å; L40-W88 HydrophobicContact CD1-CH2 3.93Å; L40-W88 HydrophobicContact CD1-CZ3 3.86Å; K41-W88 HydrophobicContact CG-CZ2 4.48Å; Q84-W88 WeakPolarHBondContact O-CB 3.35Å; Q84-W88 PolarHBondContact O-N 3Å; Q84-W88 VanDerWaalsContact O-N 3.14Å; F85-W88 HydrophobicContact CD2-CE3 4.2Å; F85-W88 HydrophobicContact CD2-CZ3 4.43Å; F85-W88 HydrophobicContact CE2-CE3 4.23Å; F85-W88 HydrophobicContact CE2-CZ3 4.03Å; F85-W88 PolarHBondContact O-N 3.44Å; W88-I90 VanDerWaalsContact C-N 3.33Å; W88-I90 PolarHBondContact O-N 3.07Å; W88-S91 PolarHBondContact O-N 2.99Å; W88-S91 PolarHBondContact O-OG 2.92Å; W88-E92 HydrophobicContact CG-CG 4.41Å; W88-E92 WeakPolarHBondContact O-CB 3.46Å; W88-E92 PolarHBondContact O-N 3.24Å; W88-V93 HydrophobicContact CH2-CG2 3.62Å; W88-V93 HydrophobicContact CZ2-CG2 3.78Å; W88-V93 HydrophobicContact CZ3-CG2 4.03Å
89L89.5Confident87.3Confident1 Ų143.6 Ų43.61%0.00523%0.228CC..Iπ-helixtrans-58-47.9179.7-178.270.4000110.8L40 L51 F85 F86 V93 L94 I100L40-L89 HydrophobicContact CD1-CD1 3.93Å; L51-L89 HydrophobicContact CD2-CD1 3.88Å; L51-L89 HydrophobicContact CD2-CD2 3.77Å; L51-L89 HydrophobicContact CD2-CG 4.12Å; F85-L89 HydrophobicContact CE1-CD2 4.07Å; F85-L89 HydrophobicContact CZ-CD2 4.3Å; F85-L89 WeakPolarHBondContact O-CB 3.43Å; F85-L89 PolarHBondContact O-N 3.31Å; F86-L89 HydrophobicContact CD1-CD2 4.14Å; F86-L89 HydrophobicContact CE1-CD2 4.31Å; F86-L89 PolarHBondContact O-N 2.95Å; L89-V93 HydrophobicContact CD1-CB 4.15Å; L89-V93 HydrophobicContact CD1-CG1 4.39Å; L89-V93 HydrophobicContact CD1-CG2 4.17Å; L89-V93 VanDerWaalsContact O-CB 3.23Å; L89-V93 WeakPolarHBondContact O-CB 3.44Å; L89-V93 PolarHBondContact O-N 2.97Å; L89-V93 VanDerWaalsContact O-N 3.09Å; L89-L94 PolarHBondContact O-N 3.43Å; L89-I100 HydrophobicContact CD2-CD1 4.5Å
90I89.7Confident87.7Confident0 Ų041.2 Ų41.20%020%0.204CC..Iπ-helixtrans-70.5-44-178.4-62.5166.4000110.9F86 W88 L94 I100 V118 K124 I126F86-I90 WeakPolarHBondContact O-CB 3.5Å; F86-I90 WeakPolarHBondContact O-CD1 3.46Å; F86-I90 WeakPolarHBondContact O-CG1 3.5Å; F86-I90 PolarHBondContact O-N 3.25Å; W88-I90 VanDerWaalsContact C-N 3.33Å; W88-I90 PolarHBondContact O-N 3.07Å; I90-L94 HydrophobicContact CG1-CD1 4.29Å; I90-I100 HydrophobicContact CG1-CD1 4.15Å; I90-V118 HydrophobicContact CD1-CG1 4.47Å; I90-K124 HydrophobicContact CG2-CB 3.89Å; I90-K124 HydrophobicContact CG2-CD 4.11Å; I90-K124 WeakPolarHBondContact O-CD 3.19Å; I90-K124 PolarHBondContact O-NZ 3.03Å; I90-I126 HydrophobicContact CD1-CD1 3.53Å; I90-I126 HydrophobicContact CD1-CG1 4.47Å; I90-I126 HydrophobicContact CG1-CD1 3.83Å; I90-I126 HydrophobicContact CG2-CD1 4.46Å; I90-I126 HydrophobicContact CG2-CG2 3.95Å
91S86.9Confident87.6Confident47 Ų4740.3 Ų40.333%0.32920%0.197SC..Iπ-helixtrans-69.7-48.9-176.972.10000112.4R87 W88 K124R87-S91 WeakPolarHBondContact O-CB 3.43Å; R87-S91 PolarHBondContact O-N 3.35Å; R87-S91 PolarHBondContact O-OG 3.31Å; W88-S91 PolarHBondContact O-N 2.99Å; W88-S91 PolarHBondContact O-OG 2.92Å; S91-K124 PolarHBondContact O-NZ 3.3Å
92E86Confident87.8Confident126 Ų12632.1 Ų32.159%0.58916%0.161SC*.Iπ-helixtrans-95.7-29.6-167.7-55.4-48.4117.300114.4W88W88-E92 HydrophobicContact CG-CG 4.41Å; W88-E92 WeakPolarHBondContact O-CB 3.46Å; W88-E92 PolarHBondContact O-N 3.24Å
93V88.1Confident87.7Confident1 Ų131.7 Ų31.71%0.00616%0.159CC..Iπ-helixtrans-103.6-43.7-167.8-171.40000112.7T44 I48 W88 L89T44-V93 HydrophobicContact CG2-CG1 4.49Å; I48-V93 HydrophobicContact CD1-CG1 3.59Å; I48-V93 HydrophobicContact CG1-CG1 4.23Å; I48-V93 PolarHBondContact N-O 3.35Å; W88-V93 HydrophobicContact CH2-CG2 3.62Å; W88-V93 HydrophobicContact CZ2-CG2 3.78Å; W88-V93 HydrophobicContact CZ3-CG2 4.03Å; L89-V93 HydrophobicContact CD1-CB 4.15Å; L89-V93 HydrophobicContact CD1-CG1 4.39Å; L89-V93 HydrophobicContact CD1-CG2 4.17Å; L89-V93 VanDerWaalsContact O-CB 3.23Å; L89-V93 WeakPolarHBondContact O-CB 3.44Å; L89-V93 PolarHBondContact O-N 2.97Å; L89-V93 VanDerWaalsContact O-N 3.09Å
94L87.8Confident87.3Confident4 Ų431.7 Ų31.72%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-83.2162.4-174.4-61.6-176.6000112.8I48 L51 L89 I90 A98 I100 K124 I126I48-L94 HydrophobicContact CB-CD2 3.98Å; I48-L94 HydrophobicContact CG2-CD2 4.01Å; L51-L94 HydrophobicContact CB-CD2 3.99Å; L51-L94 HydrophobicContact CD2-CD2 4.1Å; L89-L94 PolarHBondContact O-N 3.43Å; I90-L94 HydrophobicContact CG1-CD1 4.29Å; L94-A98 HydrophobicContact CB-CB 3.83Å; L94-A98 HydrophobicContact CD1-CB 4.35Å; L94-A98 HydrophobicContact CD2-CB 4.31Å; L94-A98 HydrophobicContact CG-CB 4.38Å; L94-I100 HydrophobicContact CD1-CD1 3.67Å; L94-I100 HydrophobicContact CD1-CG1 3.61Å; L94-K124 VanDerWaalsContact O-CE 3.31Å; L94-K124 WeakPolarHBondContact O-CE 3.38Å; L94-K124 PolarHBondContact O-NZ 2.91Å; L94-I126 HydrophobicContact CD1-CG2 4.25Å
95I87.3Confident86.6Confident34 Ų3429.3 Ų29.317%0.17415%0.151CC..EExtended strand (participates in β ladder)trans-90.1165.9163.863.2-179.5000112.2M1 R47 I48 R49 G97 A98M1-I95 HydrophobicContact SD-CD1 3.89Å; R47-I95 HydrophobicContact CB-CG2 3.35Å; R47-I95 HydrophobicContact CG-CG2 3.7Å; I48-I95 PolarHBondContact O-N 3.46Å; R49-I95 HydrophobicContact CB-CD1 3.93Å; R49-I95 HydrophobicContact CB-CG1 4.47Å; R49-I95 HydrophobicContact CG-CD1 4.09Å; I95-G97 PolarHBondContact O-N 3.2Å; I95-A98 HydrophobicContact CG1-CB 4.06Å; I95-A98 WeakPolarHBondContact O-CB 3.24Å; I95-A98 PolarHBondContact O-N 3.08Å
96E82.3Confident85.8Confident135 Ų13531.3 Ų31.363%0.63116%0.163SC*.EExtended strand (participates in β ladder)trans-66.7131.5167.9-167.4169.9-172.600109.4K124 K125E96-K124 HydrophobicContact CB-CG 4.4Å; E96-K125 HydrophobicContact CG-CB 4.18Å
97G79.6Confident84.8Confident39 Ų3935 Ų3540%0.40219%0.187SC..EExtended strand (participates in β ladder)trans80.413.5-171.400000114.7I95 K125I95-G97 PolarHBondContact O-N 3.2Å; G97-K125 PolarHBondContact N-O 3.28Å
98A86.9Confident84.1Confident0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-69.8156.5174.700000112.6R49 L94 I95 I126 S127R49-A98 CarbonylContact O-C 3.56Å; R49-A98 WeakPolarHBondContact O-CA 3.47Å; R49-A98 WeakPolarHBondContact O-CB 3.5Å; L94-A98 HydrophobicContact CB-CB 3.83Å; L94-A98 HydrophobicContact CD1-CB 4.35Å; L94-A98 HydrophobicContact CD2-CB 4.31Å; L94-A98 HydrophobicContact CG-CB 4.38Å; I95-A98 HydrophobicContact CG1-CB 4.06Å; I95-A98 WeakPolarHBondContact O-CB 3.24Å; I95-A98 PolarHBondContact O-N 3.08Å; A98-I126 HydrophobicContact CB-CG2 4.45Å; A98-I126 WeakPolarHBondContact O-CA 3.4Å; A98-S127 PolarHBondContact O-N 3.35Å
99F87.6Confident83Confident50 Ų5036.2 Ų36.222%0.21920%0.199CC..EExtended strand (participates in β ladder)trans-105.3133.4175.2-64.5-88.7000110.9R49 L51 S127R49-F99 PolarHBondContact O-N 3.42Å; L51-F99 PolarHBondContact N-O 2.97Å; F99-S127 CarbonylContact C-O 3.41Å; F99-S127 WeakPolarHBondContact CA-O 3.43Å; F99-S127 VanDerWaalsContact CD1-CB 3.43Å
100I90.8Very high82.3Confident0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-108.9113.8164.5-57.8-179.6000107.3L51 L53 L89 I90 L94 F102 V118 I126 S127 V128 R129L51-I100 WeakPolarHBondContact O-CA 3.24Å; L53-I100 HydrophobicContact CD1-CG2 3.8Å; L53-I100 HydrophobicContact CG-CG2 4.3Å; L89-I100 HydrophobicContact CD2-CD1 4.5Å; I90-I100 HydrophobicContact CG1-CD1 4.15Å; L94-I100 HydrophobicContact CD1-CD1 3.67Å; L94-I100 HydrophobicContact CD1-CG1 3.61Å; I100-F102 HydrophobicContact CG2-CE2 4.27Å; I100-V118 HydrophobicContact CD1-CG1 4.18Å; I100-I126 HydrophobicContact CD1-CD1 3.6Å; I100-I126 HydrophobicContact CG1-CD1 4.24Å; I100-S127 PolarHBondContact N-O 3.42Å; I100-V128 HydrophobicContact CB-CG2 4.32Å; I100-V128 CarbonylContact O-C 3.57Å; I100-V128 VanDerWaalsContact O-CA 3.29Å; I100-V128 WeakPolarHBondContact O-CA 3.33Å; I100-R129 PolarHBondContact O-N 3.37Å
101D88.1Confident81.5Confident0 Ų042.2 Ų42.20%024%0.235CC..EExtended strand (participates in β ladder)trans-110.9113.8-177.9-60.7-34.9000109.9L51 G52 L53 L103 R129 I146 Y150L51-D101 PolarHBondContact O-N 3.4Å; G52-D101 CarbonylContact C-O 3.58Å; G52-D101 WeakPolarHBondContact CA-O 3.38Å; L53-D101 PolarHBondContact N-O 3.35Å; D101-L103 HydrophobicContact CB-CD2 3.96Å; D101-L103 PolarHBondContact O-N 2.87Å; D101-R129 WeakPolarHBondContact CA-O 3.45Å; D101-R129 VanDerWaalsContact CG-NH2 3.26Å; D101-R129 WeakPolarHBondContact OD1-CB 3.46Å; D101-R129 IonicContact OD1-CZ 3.55Å; D101-R129 VanDerWaalsContact OD1-CZ 3.26Å; D101-R129 IonicContact OD1-NE 3.79Å; D101-R129 PolarHBondContact OD1-NE 2.93Å; D101-R129 IonicContact OD1-NH2 3.71Å; D101-R129 PolarHBondContact OD1-NH2 2.98Å; D101-R129 IonicContact OD2-CZ 3.42Å; D101-R129 IonicContact OD2-NE 3.21Å; D101-R129 IonicContact OD2-NH2 2.74Å; D101-R129 PolarHBondContact OD2-NH2 2.87Å; D101-I146 HydrophobicContact CB-CG2 4.26Å; D101-Y150 HydrophobicContact CB-CE2 3.95Å; D101-Y150 VanDerWaalsContact OD2-CE2 3.27Å; D101-Y150 WeakPolarHBondContact OD2-CE2 3.46Å; D101-Y150 PolarHBondContact OD2-OH 3.13Å
102F88.3Confident80.9Confident0 Ų043 Ų430%024%0.241CC..EExtended strand (participates in β ladder)trans-79.4107171.8-72.8-82.1000109L53 I55 L62 F86 I100 L104 V118 V128 R129 L130 V131L53-F102 HydrophobicContact CB-CD1 4.2Å; L53-F102 HydrophobicContact CD1-CD1 4.07Å; L53-F102 HydrophobicContact CD1-CE1 3.63Å; L53-F102 HydrophobicContact CD1-CZ 4.02Å; I55-F102 HydrophobicContact CD1-CD1 3.78Å; I55-F102 HydrophobicContact CD1-CE1 4.14Å; L62-F102 HydrophobicContact CD1-CD1 4.2Å; L62-F102 HydrophobicContact CD2-CD1 4.19Å; L62-F102 HydrophobicContact CD2-CE1 3.91Å; L62-F102 HydrophobicContact CD2-CZ 4.37Å; F86-F102 HydrophobicContact CE1-CZ 4.19Å; F86-F102 HydrophobicContact CZ-CE1 4.35Å; F86-F102 AromaticContact CZ-CZ 3.86Å; F86-F102 HydrophobicContact CZ-CZ 3.86Å; I100-F102 HydrophobicContact CG2-CE2 4.27Å; F102-L104 HydrophobicContact CB-CD2 4.34Å; F102-L104 HydrophobicContact CB-CG 4.38Å; F102-L104 PolarHBondContact O-N 3.31Å; F102-V118 HydrophobicContact CE2-CG2 4.32Å; F102-V118 HydrophobicContact CZ-CG2 4.26Å; F102-V128 HydrophobicContact CD2-CG1 3.88Å; F102-V128 HydrophobicContact CE2-CG1 3.6Å; F102-R129 PolarHBondContact N-O 3.5Å; F102-L130 HydrophobicContact CB-CD2 3.37Å; F102-L130 HydrophobicContact CB-CG 3.98Å; F102-L130 HydrophobicContact CD2-CD2 4.35Å; F102-L130 HydrophobicContact CD2-CG 4.3Å; F102-L130 HydrophobicContact CG-CD2 4.04Å; F102-L130 HydrophobicContact CG-CG 4.46Å; F102-V131 PolarHBondContact O-N 3.3Å
103L86Confident80.6Confident0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-95.194.8-177.5-50.5176.9000108.3L53 H54 I55 D101 V131 F134 Y150L53-L103 PolarHBondContact O-N 3.19Å; H54-L103 WeakPolarHBondContact CA-O 3.39Å; H54-L103 HydrophobicContact CB-CB 4.44Å; H54-L103 PolarHBondContact CD2-O 3Å; I55-L103 PolarHBondContact N-O 3.12Å; I55-L103 VanDerWaalsContact N-O 3.08Å; D101-L103 HydrophobicContact CB-CD2 3.96Å; D101-L103 PolarHBondContact O-N 2.87Å; L103-V131 HydrophobicContact CD2-CB 4.11Å; L103-V131 HydrophobicContact CD2-CG2 4.14Å; L103-F134 HydrophobicContact CB-CB 4.2Å; L103-F134 HydrophobicContact CB-CD1 4.09Å; L103-F134 HydrophobicContact CB-CD2 3.94Å; L103-F134 HydrophobicContact CB-CE1 4.48Å; L103-F134 HydrophobicContact CB-CE2 4.33Å; L103-F134 HydrophobicContact CB-CG 3.81Å; L103-F134 HydrophobicContact CD1-CD2 4.27Å; L103-F134 HydrophobicContact CD1-CE1 4.15Å; L103-F134 HydrophobicContact CD1-CE2 3.81Å; L103-F134 HydrophobicContact CD1-CZ 3.76Å; L103-F134 HydrophobicContact CD2-CD2 3.69Å; L103-F134 HydrophobicContact CD2-CE2 3.74Å; L103-F134 HydrophobicContact CD2-CG 4.44Å; L103-F134 HydrophobicContact CG-CD2 4.16Å; L103-F134 HydrophobicContact CG-CE2 4.15Å; L103-Y150 HydrophobicContact CD1-CD2 4.28Å; L103-Y150 HydrophobicContact CD1-CE2 4.47Å; L103-Y150 HydrophobicContact CD1-CG 4.34Å; L103-Y150 HydrophobicContact CD2-CD2 4.3Å; L103-Y150 HydrophobicContact CD2-CE2 4.21Å
104L80.9Confident80.4Confident1 Ų140.3 Ų40.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-104142.8-169.2-55.1-178.9000112.7I55 L62 F102 T106 I108 L130 V131 R133 F134I55-L104 HydrophobicContact CB-CD2 3.86Å; I55-L104 HydrophobicContact CD1-CD2 4.35Å; I55-L104 HydrophobicContact CG2-CD2 4.39Å; L62-L104 HydrophobicContact CD1-CD2 3.71Å; F102-L104 HydrophobicContact CB-CD2 4.34Å; F102-L104 HydrophobicContact CB-CG 4.38Å; F102-L104 PolarHBondContact O-N 3.31Å; L104-T106 WeakPolarHBondContact CB-O 3.43Å; L104-I108 HydrophobicContact CD1-CB 4.35Å; L104-I108 HydrophobicContact CD1-CD1 3.89Å; L104-I108 HydrophobicContact CD1-CG1 3.77Å; L104-I108 HydrophobicContact CD1-CG2 3.81Å; L104-L130 HydrophobicContact CD1-CD2 3.3Å; L104-L130 HydrophobicContact CG-CD2 3.96Å; L104-V131 PolarHBondContact N-O 3.43Å; L104-R133 WeakPolarHBondContact O-CA 3.5Å; L104-R133 PolarHBondContact O-N 3.34Å; L104-F134 PolarHBondContact O-N 3.46Å
105T73.6Confident80.3Confident47 Ų4740.9 Ų40.929%0.28823%0.232SC..SBendtrans-77-32.1170.2480000112.8Q56Q56-T105 HydrophobicContact CG-CG2 4.5Å
106T70.8Confident80Confident46 Ų4643.8 Ų43.828%0.28225%0.248SC..SBendtrans-127.9149.8-176.746.70000110.6T57 L104T57-T106 PolarHBondContact O-OG1 2.94Å; T57-T106 PolarHBondContact OG1-OG1 3.15Å; L104-T106 WeakPolarHBondContact CB-O 3.43Å
107P70.7Confident80.2Confident77 Ų7737.5 Ų37.550%0.522%0.219SC..  trans-62.9145.3170.6-18.631.4000111.4
108I74.1Confident80.5Confident20 Ų2035.7 Ų35.710%0.10320%0.2CC..  trans-112.2149.9175.658.5170.3000110.9L62 L104 A111 I114 L130L62-I108 HydrophobicContact CB-CD1 4.41Å; L62-I108 HydrophobicContact CD1-CD1 4.25Å; L62-I108 HydrophobicContact CD2-CD1 4.04Å; L62-I108 HydrophobicContact CG-CD1 4.5Å; L104-I108 HydrophobicContact CD1-CB 4.35Å; L104-I108 HydrophobicContact CD1-CD1 3.89Å; L104-I108 HydrophobicContact CD1-CG1 3.77Å; L104-I108 HydrophobicContact CD1-CG2 3.81Å; I108-A111 HydrophobicContact CG1-CB 4.23Å; I108-I114 HydrophobicContact CD1-CD1 3.9Å; I108-L130 HydrophobicContact CD1-CD1 4.06Å; I108-L130 HydrophobicContact CD1-CD2 3.76Å; I108-L130 HydrophobicContact CG1-CD2 4.28Å
109E68.6Low80.4Confident132 Ų13239.2 Ų39.262%0.61722%0.217SC*.THydrogen-bonded Turntrans-71.9150.1171.9-67.1-179.9-177.700110.6A111E109-A111 PolarHBondContact O-N 2.85Å; E109-A111 VanDerWaalsContact O-N 3.17Å
110N73.4Confident80.3Confident97 Ų9740.8 Ų40.852%0.51923%0.234SC..THydrogen-bonded Turntrans58.127.8176.7-53.9-47.1000115S112 Q113 I114N110-S112 VanDerWaalsContact C-N 3.34Å; N110-S112 PolarHBondContact O-N 3.02Å; N110-Q113 HydrophobicContact CB-CB 4.32Å; N110-Q113 WeakPolarHBondContact O-CB 3.5Å; N110-Q113 PolarHBondContact O-N 3.4Å; N110-I114 PolarHBondContact O-N 2.83Å
111A73.6Confident80.1Confident31 Ų3141.4 Ų41.426%0.25624%0.237SC..Hα-helixtrans-43.6-52.6178.600000113.7I108 E109 Q113 I114 C115 L130I108-A111 HydrophobicContact CG1-CB 4.23Å; E109-A111 PolarHBondContact O-N 2.85Å; E109-A111 VanDerWaalsContact O-N 3.17Å; A111-Q113 VanDerWaalsContact C-N 3.34Å; A111-Q113 PolarHBondContact O-N 2.82Å; A111-I114 PolarHBondContact O-N 3.3Å; A111-C115 PolarHBondContact O-N 3.35Å; A111-L130 HydrophobicContact CB-CD1 3.53Å; A111-L130 WeakPolarHBondContact O-CD1 3.42Å
112S74Confident79.9Confident63 Ų6342.9 Ų42.944%0.44125%0.248SC..Hα-helixtrans-62.8-38.8-179.2-51.50000112.6N110 C115 L116N110-S112 VanDerWaalsContact C-N 3.34Å; N110-S112 PolarHBondContact O-N 3.02Å; S112-C115 PolarHBondContact O-N 2.87Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 2.89Å
113Q80Confident79.5Confident62 Ų6253.1 Ų53.129%0.2929%0.292SS..Hα-helixtrans-67.5-38.6178.5-61.7-175.55.500111.5K72 N110 A111 A117K72-Q113 HydrophobicContact CD-CB 4.32Å; N110-Q113 HydrophobicContact CB-CB 4.32Å; N110-Q113 WeakPolarHBondContact O-CB 3.5Å; N110-Q113 PolarHBondContact O-N 3.4Å; A111-Q113 VanDerWaalsContact C-N 3.34Å; A111-Q113 PolarHBondContact O-N 2.82Å; Q113-A117 WeakPolarHBondContact O-CB 3.35Å; Q113-A117 PolarHBondContact O-N 2.85Å
114I84.5Confident79.5Confident9 Ų955.5 Ų55.55%0.04630%0.303CS..Hα-helixtrans-64.9-45.9175.3-66.4168.2000110.4L62 V70 L75 I108 N110 A111 L116 A117 V118L62-I114 HydrophobicContact CD2-CD1 4.17Å; L62-I114 HydrophobicContact CD2-CG2 3.86Å; V70-I114 HydrophobicContact CG1-CG2 4.04Å; L75-I114 HydrophobicContact CD1-CG2 4.21Å; I108-I114 HydrophobicContact CD1-CD1 3.9Å; N110-I114 PolarHBondContact O-N 2.83Å; A111-I114 PolarHBondContact O-N 3.3Å; I114-L116 PolarHBondContact O-N 2.93Å; I114-A117 PolarHBondContact O-N 3.22Å; I114-V118 HydrophobicContact CG2-CG2 4.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.33Å; I114-V118 PolarHBondContact O-N 3.1Å
115C84.9Confident79.5Confident16 Ų1662.8 Ų62.811%0.10833%0.334CS..Hα-helixtrans-57.1-48.8177.1-76.50000112.2A111 S112 V118 Q119 V128 L130A111-C115 PolarHBondContact O-N 3.35Å; S112-C115 PolarHBondContact O-N 2.87Å; C115-V118 PolarHBondContact O-N 2.96Å; C115-Q119 WeakPolarHBondContact O-CG 3.48Å; C115-Q119 PolarHBondContact O-N 2.81Å; C115-Q119 VanDerWaalsContact O-N 3.07Å; C115-V128 HydrophobicContact CB-CB 4.37Å; C115-V128 HydrophobicContact CB-CG1 4.2Å; C115-L130 WeakPolarHBondContact SG-CD1 3.48Å
116L82.3Confident80.1Confident94 Ų9461.3 Ų61.349%0.49233%0.325SS..Hα-helixtrans-62.3-42.8177.4-70.9171.1000111.7S112 I114 V118 Q119 S120S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 2.89Å; I114-L116 PolarHBondContact O-N 2.93Å; L116-V118 PolarHBondContact O-N 2.86Å; L116-Q119 PolarHBondContact O-N 3.02Å; L116-S120 WeakPolarHBondContact O-CB 3.3Å; L116-S120 PolarHBondContact O-N 2.52Å
117A85.5Confident80.7Confident4 Ų461.4 Ų61.43%0.03333%0.327CS..Hα-helixtrans-63.1-43.8179.200000111.4L75 Q113 I114 Q119 S120 V121L75-A117 HydrophobicContact CB-CB 3.73Å; L75-A117 HydrophobicContact CD1-CB 3.64Å; L75-A117 HydrophobicContact CG-CB 4.33Å; Q113-A117 WeakPolarHBondContact O-CB 3.35Å; Q113-A117 PolarHBondContact O-N 2.85Å; I114-A117 PolarHBondContact O-N 3.22Å; A117-Q119 PolarHBondContact O-N 2.81Å; A117-S120 PolarHBondContact O-N 3.12Å; A117-S120 VanDerWaalsContact O-N 3.15Å; A117-S120 PolarHBondContact O-OG 2.87Å; A117-V121 VanDerWaalsContact O-CG2 3.27Å; A117-V121 WeakPolarHBondContact O-CG2 3.35Å; A117-V121 PolarHBondContact O-N 3.22Å
118V86.8Confident81.4Confident0 Ų058 Ų580%031%0.305CS..Hα-helixtrans-61-44.6175.1175.30000111.6L75 F86 I90 I100 F102 I114 C115 L116 S120 V121 I126 V128L75-V118 HydrophobicContact CD1-CG2 3.6Å; L75-V118 HydrophobicContact CD2-CG2 3.93Å; L75-V118 HydrophobicContact CG-CG2 4.45Å; F86-V118 HydrophobicContact CD1-CG1 3.7Å; F86-V118 HydrophobicContact CD1-CG2 4.41Å; F86-V118 HydrophobicContact CE1-CG1 3.89Å; F86-V118 HydrophobicContact CE1-CG2 4.2Å; F86-V118 HydrophobicContact CG-CG1 4.44Å; F86-V118 HydrophobicContact CZ-CG2 4.31Å; I90-V118 HydrophobicContact CD1-CG1 4.47Å; I100-V118 HydrophobicContact CD1-CG1 4.18Å; F102-V118 HydrophobicContact CE2-CG2 4.32Å; F102-V118 HydrophobicContact CZ-CG2 4.26Å; I114-V118 HydrophobicContact CG2-CG2 4.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.33Å; I114-V118 PolarHBondContact O-N 3.1Å; C115-V118 PolarHBondContact O-N 2.96Å; L116-V118 PolarHBondContact O-N 2.86Å; V118-S120 PolarHBondContact O-N 3.49Å; V118-V121 PolarHBondContact O-N 2.88Å; V118-I126 HydrophobicContact CG1-CD1 4.4Å; V118-V128 HydrophobicContact CB-CG1 4.38Å; V118-V128 HydrophobicContact CB-CG2 4.04Å; V118-V128 HydrophobicContact CG1-CG1 4.41Å; V118-V128 HydrophobicContact CG1-CG2 3.66Å
119Q85Confident81.9Confident75 Ų7559 Ų5935%0.3531%0.307SS..Hα-helixtrans-61.2-31.4176.9-70.6174.610.400112.2C115 L116 A117 V128C115-Q119 WeakPolarHBondContact O-CG 3.48Å; C115-Q119 PolarHBondContact O-N 2.81Å; C115-Q119 VanDerWaalsContact O-N 3.07Å; L116-Q119 PolarHBondContact O-N 3.02Å; A117-Q119 PolarHBondContact O-N 2.81Å; Q119-V128 HydrophobicContact CG-CB 4.05Å; Q119-V128 HydrophobicContact CG-CG2 3.53Å
120S83.6Confident82.5Confident83 Ų8354.1 Ų54.158%0.5829%0.285SS*.Hα-helixtrans-80-13.2-17977.60000115L116 A117 V118 S122L116-S120 WeakPolarHBondContact O-CB 3.3Å; L116-S120 PolarHBondContact O-N 2.52Å; A117-S120 PolarHBondContact O-N 3.12Å; A117-S120 VanDerWaalsContact O-N 3.15Å; A117-S120 PolarHBondContact O-OG 2.87Å; V118-S120 PolarHBondContact O-N 3.49Å; S120-S122 PolarHBondContact O-N 3.1Å
121V87.1Confident82.8Confident12 Ų1249.5 Ų49.57%0.07326%0.261CS..THydrogen-bonded Turntrans-66-24.9-175.1-178.20000112.8L75 S83 F86 R87 A117 V118L75-V121 HydrophobicContact CD2-CG2 3.88Å; S83-V121 VanDerWaalsContact O-CG1 3.3Å; S83-V121 WeakPolarHBondContact O-CG1 3.38Å; F86-V121 HydrophobicContact CB-CB 4.43Å; F86-V121 HydrophobicContact CB-CG1 4.09Å; F86-V121 HydrophobicContact CB-CG2 4.3Å; R87-V121 HydrophobicContact CB-CG1 3.71Å; R87-V121 HydrophobicContact CG-CG1 4.47Å; R87-V121 PolarHBondContact NE-O 3.01Å; A117-V121 VanDerWaalsContact O-CG2 3.27Å; A117-V121 WeakPolarHBondContact O-CG2 3.35Å; A117-V121 PolarHBondContact O-N 3.22Å; V118-V121 PolarHBondContact O-N 2.88Å
122S83.6Confident82.9Confident31 Ų3150 Ų5022%0.21726%0.262CS..  trans-140.3155.1-175.4-177.30000112S120 K124S120-S122 PolarHBondContact O-N 3.1Å; S122-K124 VanDerWaalsContact C-N 3.27Å; S122-K124 PolarHBondContact O-N 3.39Å; S122-K124 PolarHBondContact OG-N 3.46Å
123K81.5Confident82.9Confident215 Ų21552.5 Ų52.594%0.93526%0.262SS*.SBendtrans-76.9-12.5176.3-65.6-174.6179.2-178.50113.7
124K84.5Confident82.6Confident51 Ų5149.8 Ų49.822%0.22225%0.249CC..SBendtrans-77.1127.3-177.4-166.1-177.4-167.1166.70109.4I90 S91 L94 E96 S122 I126I90-K124 HydrophobicContact CG2-CB 3.89Å; I90-K124 HydrophobicContact CG2-CD 4.11Å; I90-K124 WeakPolarHBondContact O-CD 3.19Å; I90-K124 PolarHBondContact O-NZ 3.03Å; S91-K124 PolarHBondContact O-NZ 3.3Å; L94-K124 VanDerWaalsContact O-CE 3.31Å; L94-K124 WeakPolarHBondContact O-CE 3.38Å; L94-K124 PolarHBondContact O-NZ 2.91Å; E96-K124 HydrophobicContact CB-CG 4.4Å; S122-K124 VanDerWaalsContact C-N 3.27Å; S122-K124 PolarHBondContact O-N 3.39Å; S122-K124 PolarHBondContact OG-N 3.46Å; K124-I126 PolarHBondContact O-N 2.79Å
125K82.2Confident81.8Confident153 Ų15353.2 Ų53.267%0.66527%0.267SS*.  trans-64.6119.4-179.6-67.5-179.3179.5178.90110.1E96 G97E96-K125 HydrophobicContact CG-CB 4.18Å; G97-K125 PolarHBondContact N-O 3.28Å
126I85.7Confident81Confident17 Ų1754.6 Ų54.69%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-136.8158.3172.257.1153.2000109I90 L94 A98 I100 V118 K124 V128I90-I126 HydrophobicContact CD1-CD1 3.53Å; I90-I126 HydrophobicContact CD1-CG1 4.47Å; I90-I126 HydrophobicContact CG1-CD1 3.83Å; I90-I126 HydrophobicContact CG2-CD1 4.46Å; I90-I126 HydrophobicContact CG2-CG2 3.95Å; L94-I126 HydrophobicContact CD1-CG2 4.25Å; A98-I126 HydrophobicContact CB-CG2 4.45Å; A98-I126 WeakPolarHBondContact O-CA 3.4Å; I100-I126 HydrophobicContact CD1-CD1 3.6Å; I100-I126 HydrophobicContact CG1-CD1 4.24Å; V118-I126 HydrophobicContact CG1-CD1 4.4Å; K124-I126 PolarHBondContact O-N 2.79Å; I126-V128 HydrophobicContact CD1-CG2 3.77Å
127S83.4Confident80Confident48 Ų4855.5 Ų55.534%0.33629%0.291SS..EExtended strand (participates in β ladder)trans-108.8135.9170.9-65.10000108.9A98 F99 I100A98-S127 PolarHBondContact O-N 3.35Å; F99-S127 CarbonylContact C-O 3.41Å; F99-S127 WeakPolarHBondContact CA-O 3.43Å; F99-S127 VanDerWaalsContact CD1-CB 3.43Å; I100-S127 PolarHBondContact N-O 3.42Å
128V86Confident78.7Confident5 Ų561.6 Ų61.63%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-119.9123179.2-176.80000107.7I100 F102 C115 V118 Q119 I126I100-V128 HydrophobicContact CB-CG2 4.32Å; I100-V128 CarbonylContact O-C 3.57Å; I100-V128 VanDerWaalsContact O-CA 3.29Å; I100-V128 WeakPolarHBondContact O-CA 3.33Å; F102-V128 HydrophobicContact CD2-CG1 3.88Å; F102-V128 HydrophobicContact CE2-CG1 3.6Å; C115-V128 HydrophobicContact CB-CB 4.37Å; C115-V128 HydrophobicContact CB-CG1 4.2Å; V118-V128 HydrophobicContact CB-CG1 4.38Å; V118-V128 HydrophobicContact CB-CG2 4.04Å; V118-V128 HydrophobicContact CG1-CG1 4.41Å; V118-V128 HydrophobicContact CG1-CG2 3.66Å; Q119-V128 HydrophobicContact CG-CB 4.05Å; Q119-V128 HydrophobicContact CG-CG2 3.53Å; I126-V128 HydrophobicContact CD1-CG2 3.77Å
129R83.2Confident77.6Confident40 Ų4062.4 Ų62.415%0.15132%0.323CS..EExtended strand (participates in β ladder)trans-124.9149.7-177.8-55.6175.7-67.9-166.6-1110.1I100 D101 F102 I146I100-R129 PolarHBondContact O-N 3.37Å; D101-R129 WeakPolarHBondContact CA-O 3.45Å; D101-R129 VanDerWaalsContact CG-NH2 3.26Å; D101-R129 WeakPolarHBondContact OD1-CB 3.46Å; D101-R129 IonicContact OD1-CZ 3.55Å; D101-R129 VanDerWaalsContact OD1-CZ 3.26Å; D101-R129 IonicContact OD1-NE 3.79Å; D101-R129 PolarHBondContact OD1-NE 2.93Å; D101-R129 IonicContact OD1-NH2 3.71Å; D101-R129 PolarHBondContact OD1-NH2 2.98Å; D101-R129 IonicContact OD2-CZ 3.42Å; D101-R129 IonicContact OD2-NE 3.21Å; D101-R129 IonicContact OD2-NH2 2.74Å; D101-R129 PolarHBondContact OD2-NH2 2.87Å; F102-R129 PolarHBondContact N-O 3.5Å; R129-I146 HydrophobicContact CB-CD1 4.18Å
130L82.2Confident76.3Confident31 Ų3160.6 Ų60.616%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-117.7114.3179.1-94.5160.1000109.6F102 L104 I108 A111 C115F102-L130 HydrophobicContact CB-CD2 3.37Å; F102-L130 HydrophobicContact CB-CG 3.98Å; F102-L130 HydrophobicContact CD2-CD2 4.35Å; F102-L130 HydrophobicContact CD2-CG 4.3Å; F102-L130 HydrophobicContact CG-CD2 4.04Å; F102-L130 HydrophobicContact CG-CG 4.46Å; L104-L130 HydrophobicContact CD1-CD2 3.3Å; L104-L130 HydrophobicContact CG-CD2 3.96Å; I108-L130 HydrophobicContact CD1-CD1 4.06Å; I108-L130 HydrophobicContact CD1-CD2 3.76Å; I108-L130 HydrophobicContact CG1-CD2 4.28Å; A111-L130 HydrophobicContact CB-CD1 3.53Å; A111-L130 WeakPolarHBondContact O-CD1 3.42Å; C115-L130 WeakPolarHBondContact SG-CD1 3.48Å
131V79.6Confident75.2Confident0 Ų061 Ų610%032%0.321CS..EExtended strand (participates in β ladder)trans-10594.3177.8-177.10000108.6F102 L103 L104 F134 L139 N143 I146 V147F102-V131 PolarHBondContact O-N 3.3Å; L103-V131 HydrophobicContact CD2-CB 4.11Å; L103-V131 HydrophobicContact CD2-CG2 4.14Å; L104-V131 PolarHBondContact N-O 3.43Å; V131-F134 HydrophobicContact CG1-CB 4.44Å; V131-F134 HydrophobicContact CG1-CD2 4.2Å; V131-L139 HydrophobicContact CG1-CD2 4.24Å; V131-N143 HydrophobicContact CG1-CB 4.13Å; V131-I146 HydrophobicContact CG2-CB 3.93Å; V131-I146 HydrophobicContact CG2-CD1 3.96Å; V131-I146 HydrophobicContact CG2-CG2 3.59Å; V131-V147 HydrophobicContact CG1-CG2 3.68Å
132S76Confident73.9Confident40 Ų4063.7 Ų63.728%0.2833%0.333SS..EExtended strand (participates in β ladder)trans-72.5144.8170.867.10000110.7
133R72.6Confident73.2Confident117 Ų11762.7 Ų62.744%0.44233%0.325SS..THydrogen-bonded Turntrans64.137176.9-49.8-179178.2-179.2-1.7113.3L104 L135 S136 E138 L139L104-R133 WeakPolarHBondContact O-CA 3.5Å; L104-R133 PolarHBondContact O-N 3.34Å; R133-L135 PolarHBondContact O-N 2.69Å; R133-S136 VanDerWaalsContact O-CB 3.32Å; R133-S136 WeakPolarHBondContact O-CB 3.35Å; R133-S136 PolarHBondContact O-N 2.93Å; R133-E138 IonicContact NH1-OE2 2.68Å; R133-L139 WeakPolarHBondContact O-CD1 3.47Å
134F73.5Confident72.6Confident5 Ų558.6 Ų58.62%0.02230%0.304CS..THydrogen-bonded Turntrans-46.2-31.8-175.2178.8-113000115.4L14 L103 L104 V131 V147 I151L14-F134 HydrophobicContact CD2-CE1 3.9Å; L103-F134 HydrophobicContact CB-CB 4.2Å; L103-F134 HydrophobicContact CB-CD1 4.09Å; L103-F134 HydrophobicContact CB-CD2 3.94Å; L103-F134 HydrophobicContact CB-CE1 4.48Å; L103-F134 HydrophobicContact CB-CE2 4.33Å; L103-F134 HydrophobicContact CB-CG 3.81Å; L103-F134 HydrophobicContact CD1-CD2 4.27Å; L103-F134 HydrophobicContact CD1-CE1 4.15Å; L103-F134 HydrophobicContact CD1-CE2 3.81Å; L103-F134 HydrophobicContact CD1-CZ 3.76Å; L103-F134 HydrophobicContact CD2-CD2 3.69Å; L103-F134 HydrophobicContact CD2-CE2 3.74Å; L103-F134 HydrophobicContact CD2-CG 4.44Å; L103-F134 HydrophobicContact CG-CD2 4.16Å; L103-F134 HydrophobicContact CG-CE2 4.15Å; L104-F134 PolarHBondContact O-N 3.46Å; V131-F134 HydrophobicContact CG1-CB 4.44Å; V131-F134 HydrophobicContact CG1-CD2 4.2Å; F134-V147 HydrophobicContact CD2-CB 4.29Å; F134-V147 HydrophobicContact CD2-CG1 4.1Å; F134-V147 HydrophobicContact CD2-CG2 3.39Å; F134-V147 HydrophobicContact CE2-CB 3.98Å; F134-V147 HydrophobicContact CE2-CG1 3.62Å; F134-V147 HydrophobicContact CE2-CG2 3.55Å; F134-V147 HydrophobicContact CZ-CG1 4.32Å; F134-I151 HydrophobicContact CE1-CD1 4.37Å; F134-I151 HydrophobicContact CE2-CD1 4.27Å; F134-I151 HydrophobicContact CZ-CD1 3.81Å; F134-I151 HydrophobicContact CZ-CG1 4.09Å
135L68.3Low71.7Confident81 Ų8159.1 Ų59.142%0.42430%0.304SS..THydrogen-bonded Turntrans-105.510.6-179.1-61.6174.3000114.4I17 R133I17-L135 HydrophobicContact CD1-CD2 3.42Å; I17-L135 VanDerWaalsContact CD1-CD2 3.42Å; R133-L135 PolarHBondContact O-N 2.69Å
136S67.5Low71.3Confident44 Ų4452.4 Ų52.431%0.30828%0.276SS..  trans-83.6149-179.1179.90000112.1R133 E138 L139R133-S136 VanDerWaalsContact O-CB 3.32Å; R133-S136 WeakPolarHBondContact O-CB 3.35Å; R133-S136 PolarHBondContact O-N 2.93Å; S136-E138 PolarHBondContact O-N 3.18Å; S136-E138 PolarHBondContact OG-N 3.16Å; S136-L139 WeakPolarHBondContact O-CD1 3.4Å
137S61Low70.7Confident113 Ų11352.3 Ų52.379%0.7928%0.276SS*.THydrogen-bonded Turntrans-67.3-15.8166.749.80000113
138E58.6Low70.2Confident133 Ų13353.4 Ų53.462%0.62128%0.276SS*.THydrogen-bonded Turntrans-106.143.1-174.9-60.3179.4-179.800112.4R133 S136R133-E138 IonicContact NH1-OE2 2.68Å; S136-E138 PolarHBondContact O-N 3.18Å; S136-E138 PolarHBondContact OG-N 3.16Å
139L64Low69.6Low17 Ų1755.6 Ų55.69%0.08929%0.287CS..  trans-70.7134.8171.3-93.288000111.4V131 R133 S136 N143 R144 V147V131-L139 HydrophobicContact CG1-CD2 4.24Å; R133-L139 WeakPolarHBondContact O-CD1 3.47Å; S136-L139 WeakPolarHBondContact O-CD1 3.4Å; L139-N143 HydrophobicContact CD2-CB 3.97Å; L139-R144 HydrophobicContact CB-CG 3.82Å; L139-R144 PolarHBondContact O-NE 3Å; L139-R144 PolarHBondContact O-NH2 2.91Å; L139-V147 HydrophobicContact CD2-CB 4.18Å; L139-V147 HydrophobicContact CD2-CG2 3.38Å
140A58.8Low69.4Low36 Ų3653.7 Ų53.730%0.29828%0.279SS..  trans-58.4143.9169.400000111H142 N143 R144A140-H142 VanDerWaalsContact C-N 3.26Å; A140-H142 WeakPolarHBondContact CB-CE1 3.47Å; A140-H142 PolarHBondContact O-N 2.84Å; A140-H142 VanDerWaalsContact O-N 3.13Å; A140-N143 PolarHBondContact O-N 3.2Å; A140-R144 PolarHBondContact O-N 3.01Å; A140-R144 VanDerWaalsContact O-N 3.13Å
141P60.3Low68.9Low91 Ų9154.6 Ų54.659%0.59128%0.284SS*.Hα-helixtrans-54.3-36.1-174.4-2834.4000114.9R144P141-R144 PolarHBondContact O-N 3.25Å
142H59.8Low68Low69 Ų6957.6 Ų57.632%0.31930%0.3SS..Hα-helixtrans-69-35.4177.258.7-88.8000112.9A140A140-H142 VanDerWaalsContact C-N 3.26Å; A140-H142 WeakPolarHBondContact CB-CE1 3.47Å; A140-H142 PolarHBondContact O-N 2.84Å; A140-H142 VanDerWaalsContact O-N 3.13Å
143N68.8Low66.6Low11 Ų1159.9 Ų59.96%0.05931%0.309CS..Hα-helixtrans-72.6-32.6177-77.2-17.5000111.9V131 L139 A140 R145 I146 V147V131-N143 HydrophobicContact CG1-CB 4.13Å; L139-N143 HydrophobicContact CD2-CB 3.97Å; A140-N143 PolarHBondContact O-N 3.2Å; N143-R145 VanDerWaalsContact C-N 3.26Å; N143-R145 PolarHBondContact O-N 3.28Å; N143-I146 PolarHBondContact O-N 3.39Å; N143-I146 VanDerWaalsContact O-N 3.09Å; N143-V147 WeakPolarHBondContact O-CG2 3.47Å; N143-V147 PolarHBondContact O-N 2.69Å
144R68.3Low65.1Low129 Ų12962.1 Ų62.149%0.48733%0.325SS..Hα-helixtrans-54.2-42.1177.5-69.4-176.6-170.3174.1-1.5112.3L139 A140 P141 I146 V147 E148L139-R144 HydrophobicContact CB-CG 3.82Å; L139-R144 PolarHBondContact O-NE 3Å; L139-R144 PolarHBondContact O-NH2 2.91Å; A140-R144 PolarHBondContact O-N 3.01Å; A140-R144 VanDerWaalsContact O-N 3.13Å; P141-R144 PolarHBondContact O-N 3.25Å; R144-I146 PolarHBondContact O-N 2.83Å; R144-V147 CarbonylContact O-C 3.5Å; R144-V147 WeakPolarHBondContact O-CB 3.28Å; R144-V147 PolarHBondContact O-N 3.26Å; R144-E148 VanDerWaalsContact O-CG 3.3Å; R144-E148 WeakPolarHBondContact O-CG 3.42Å; R144-E148 PolarHBondContact O-N 3.37Å
145R65Low63.5Low61 Ų6166.4 Ų66.423%0.2335%0.347CS..Hα-helixtrans-63.6-37.8177.7-74.3178.3164.6173.9-5.9114N143 V147 D193 S195N143-R145 VanDerWaalsContact C-N 3.26Å; N143-R145 PolarHBondContact O-N 3.28Å; R145-V147 VanDerWaalsContact C-N 3.33Å; R145-D193 IonicContact CZ-OD2 2.74Å; R145-D193 IonicContact NE-OD2 2.96Å; R145-D193 IonicContact NH2-OD2 3.98Å; R145-D193 PolarHBondContact NH2-OD2 3.3Å; R145-S195 PolarHBondContact NH2-OG 2.86Å
146I74Confident61.7Low13 Ų1367.9 Ų67.97%0.06735%0.353CS..Hα-helixtrans-66.9-43.6176.2-57.8169.7000108.8D101 R129 V131 N143 R144 E148 I149 Y150D101-I146 HydrophobicContact CB-CG2 4.26Å; R129-I146 HydrophobicContact CB-CD1 4.18Å; V131-I146 HydrophobicContact CG2-CB 3.93Å; V131-I146 HydrophobicContact CG2-CD1 3.96Å; V131-I146 HydrophobicContact CG2-CG2 3.59Å; N143-I146 PolarHBondContact O-N 3.39Å; N143-I146 VanDerWaalsContact O-N 3.09Å; R144-I146 PolarHBondContact O-N 2.83Å; I146-E148 PolarHBondContact O-N 2.97Å; I146-I149 WeakPolarHBondContact O-CB 3.35Å; I146-I149 PolarHBondContact O-N 3.48Å; I146-Y150 HydrophobicContact CG2-CE2 4.45Å; I146-Y150 WeakPolarHBondContact O-CD2 3.01Å
147V74.7Confident60Low14 Ų1473 Ų739%0.08538%0.375CS..Hα-helixtrans-64.7-37.1178.9173.40000112.6V131 F134 L139 N143 R144 R145 I149 Y150 I151V131-V147 HydrophobicContact CG1-CG2 3.68Å; F134-V147 HydrophobicContact CD2-CB 4.29Å; F134-V147 HydrophobicContact CD2-CG1 4.1Å; F134-V147 HydrophobicContact CD2-CG2 3.39Å; F134-V147 HydrophobicContact CE2-CB 3.98Å; F134-V147 HydrophobicContact CE2-CG1 3.62Å; F134-V147 HydrophobicContact CE2-CG2 3.55Å; F134-V147 HydrophobicContact CZ-CG1 4.32Å; L139-V147 HydrophobicContact CD2-CB 4.18Å; L139-V147 HydrophobicContact CD2-CG2 3.38Å; N143-V147 WeakPolarHBondContact O-CG2 3.47Å; N143-V147 PolarHBondContact O-N 2.69Å; R144-V147 CarbonylContact O-C 3.5Å; R144-V147 WeakPolarHBondContact O-CB 3.28Å; R144-V147 PolarHBondContact O-N 3.26Å; R145-V147 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.27Å; V147-Y150 PolarHBondContact O-N 3.17Å; V147-I151 HydrophobicContact CG1-CB 4.26Å; V147-I151 HydrophobicContact CG1-CD1 3.32Å; V147-I151 HydrophobicContact CG1-CG1 3.82Å; V147-I151 WeakPolarHBondContact O-CB 3.39Å; V147-I151 PolarHBondContact O-N 3.45Å
148E72.5Confident58.5Low71 Ų7173.4 Ų73.433%0.33237%0.373SS..Hα-helixtrans-57.9-31.9177.7-82.3165.7-170.700113.2R144 I146 Y150 I151 N152 I155R144-E148 VanDerWaalsContact O-CG 3.3Å; R144-E148 WeakPolarHBondContact O-CG 3.42Å; R144-E148 PolarHBondContact O-N 3.37Å; I146-E148 PolarHBondContact O-N 2.97Å; E148-Y150 PolarHBondContact O-N 3.24Å; E148-I151 PolarHBondContact O-N 2.87Å; E148-N152 HydrophobicContact CB-CB 4.34Å; E148-N152 HydrophobicContact CG-CB 4.34Å; E148-N152 PolarHBondContact O-N 2.95Å; E148-I155 HydrophobicContact CB-CD1 4.05Å; E148-I155 HydrophobicContact CG-CD1 4.23Å
149I73.4Confident57.2Low51 Ų5174.6 Ų74.626%0.26238%0.384SS..Hα-helixtrans-59.9-31.6174.6-60.7169.1000111.4T3 N50 I146 V147T3-I149 HydrophobicContact CG2-CG2 4.35Å; N50-I149 HydrophobicContact CB-CG2 4.1Å; N50-I149 WeakPolarHBondContact ND2-CG2 3.19Å; I146-I149 WeakPolarHBondContact O-CB 3.35Å; I146-I149 PolarHBondContact O-N 3.48Å; V147-I149 PolarHBondContact O-N 3.27Å
150Y77.6Confident55.6Low0 Ų078.6 Ų78.60%041%0.411CS..Hα-helixtrans-96.9-22.7-177.4-64.7-72.9000113T3 I5 R18 A19 L51 G52 D101 L103 I146 V147 E148T3-Y150 HydrophobicContact CG2-CD1 3.65Å; T3-Y150 HydrophobicContact CG2-CE1 3.68Å; I5-Y150 HydrophobicContact CD1-CD1 3.8Å; I5-Y150 HydrophobicContact CD1-CG 4.27Å; I5-Y150 HydrophobicContact CG1-CD1 3.44Å; I5-Y150 VanDerWaalsContact CG1-CD1 3.44Å; I5-Y150 HydrophobicContact CG1-CE1 4.02Å; I5-Y150 HydrophobicContact CG1-CG 4.33Å; R18-Y150 CarbonylContact C-O 3.56Å; R18-Y150 WeakPolarHBondContact CA-O 3.32Å; A19-Y150 PolarHBondContact N-O 2.79Å; L51-Y150 PolarHBondContact O-OH 3.5Å; G52-Y150 WeakPolarHBondContact CA-OH 3.5Å; G52-Y150 PolarHBondContact N-OH 2.95Å; G52-Y150 VanDerWaalsContact N-OH 3.07Å; D101-Y150 HydrophobicContact CB-CE2 3.95Å; D101-Y150 VanDerWaalsContact OD2-CE2 3.27Å; D101-Y150 WeakPolarHBondContact OD2-CE2 3.46Å; D101-Y150 PolarHBondContact OD2-OH 3.13Å; L103-Y150 HydrophobicContact CD1-CD2 4.28Å; L103-Y150 HydrophobicContact CD1-CE2 4.47Å; L103-Y150 HydrophobicContact CD1-CG 4.34Å; L103-Y150 HydrophobicContact CD2-CD2 4.3Å; L103-Y150 HydrophobicContact CD2-CE2 4.21Å; I146-Y150 HydrophobicContact CG2-CE2 4.45Å; I146-Y150 WeakPolarHBondContact O-CD2 3.01Å; V147-Y150 PolarHBondContact O-N 3.17Å; E148-Y150 PolarHBondContact O-N 3.24Å
151I72.2Confident54.3Low50 Ų5083 Ų8326%0.25643%0.429SS..Hα-helixtrans-115.3-32.2-165.4-66.9-166.2000114.6I17 F134 V147 E148I17-I151 HydrophobicContact CB-CD1 4.29Å; I17-I151 HydrophobicContact CB-CG2 4.25Å; I17-I151 HydrophobicContact CD1-CD1 3.84Å; I17-I151 HydrophobicContact CG1-CD1 3.96Å; I17-I151 HydrophobicContact CG1-CG1 4.21Å; I17-I151 CarbonylContact O-C 3.46Å; I17-I151 WeakPolarHBondContact O-CA 3.44Å; I17-I151 VanDerWaalsContact O-CB 3.23Å; I17-I151 WeakPolarHBondContact O-CB 3.3Å; I17-I151 WeakPolarHBondContact O-CG1 3.24Å; I17-I151 WeakPolarHBondContact O-CG2 3.41Å; F134-I151 HydrophobicContact CE1-CD1 4.37Å; F134-I151 HydrophobicContact CE2-CD1 4.27Å; F134-I151 HydrophobicContact CZ-CD1 3.81Å; F134-I151 HydrophobicContact CZ-CG1 4.09Å; V147-I151 HydrophobicContact CG1-CB 4.26Å; V147-I151 HydrophobicContact CG1-CD1 3.32Å; V147-I151 HydrophobicContact CG1-CG1 3.82Å; V147-I151 WeakPolarHBondContact O-CB 3.39Å; V147-I151 PolarHBondContact O-N 3.45Å; E148-I151 PolarHBondContact O-N 2.87Å
152N61.6Low53.1Low64 Ų6484.8 Ų84.834%0.34244%0.441SS..  trans-102.3121.3-166.5-156.7-6.5000113E148 E154 I155E148-N152 HydrophobicContact CB-CB 4.34Å; E148-N152 HydrophobicContact CG-CB 4.34Å; E148-N152 PolarHBondContact O-N 2.95Å; N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact O-N 3.44Å; N152-I155 HydrophobicContact CB-CD1 4.15Å
153N46.2Very low51.8Low87 Ų8792 Ų9247%0.46547%0.465SS..THydrogen-bonded Turntrans-70.5-16.7-176.6-83.2-38.1000114.7A19 S20A19-N153 WeakPolarHBondContact CA-OD1 3.43Å; S20-N153 WeakPolarHBondContact CA-OD1 3.27Å; S20-N153 VanDerWaalsContact CB-OD1 3.3Å; S20-N153 WeakPolarHBondContact CB-OD1 3.43Å; S20-N153 PolarHBondContact N-OD1 3.45Å; S20-N153 PolarHBondContact OG-OD1 3.41Å
154E41.5Very low50.2Low165 Ų16596.5 Ų96.577%0.77150%0.504SS*.THydrogen-bonded Turntrans-97.4-10.5-167.3-67.5-173.3159.300115N152N152-E154 VanDerWaalsContact C-N 3.29Å; N152-E154 PolarHBondContact O-N 3.44Å
155I39.7Very low49.2Very low94 Ų9494.1 Ų94.148%0.48250%0.503SS..THydrogen-bonded Turntrans-91-9.1-166.8-62.3174.6000113.6E148 N152E148-I155 HydrophobicContact CB-CD1 4.05Å; E148-I155 HydrophobicContact CG-CD1 4.23Å; N152-I155 HydrophobicContact CB-CD1 4.15Å
156M30.7Very low49Very low113 Ų11393 Ų9356%0.55751%0.505SS*.THydrogen-bonded Turntrans-103.27.4-177.1-69.7-151.276.900116.8
157I31.3Very low48.8Very low150 Ų15093 Ų9377%0.76951%0.507SS*.  trans-952.9-176.8-60.5178.8000114.1N159I157-N159 PolarHBondContact O-N 3.36Å
158T30.5Very low48.5Very low122 Ų12298.6 Ų98.675%0.74853%0.532SS*.SBendtrans-96.9101.9168.255.40000111.9
159N29.5Very low48.7Very low159 Ų159100.1 Ų100.185%0.8554%0.543SS*.  trans-22.9150178.7-132.813.6000119.5I157I157-N159 PolarHBondContact O-N 3.36Å
160P32.4Very low49.1Very low101 Ų101100.2 Ų100.266%0.65654%0.54SS*.  trans-98138.7-163.638.9-30.8000114.1
161N30.8Very low49.5Very low129 Ų129100.6 Ų100.669%0.6954%0.541SS*.  trans-174.3111.7146.3-112.9-22.8000111.2R163N161-R163 PolarHBondContact O-N 3.23Å
162P33.7Very low50.3Low127 Ų127102.4 Ų102.483%0.82555%0.549SS*.SBendtrans-75.920.6178.1-12.228.1000114.9
163R33.1Very low51.7Low222 Ų222105.6 Ų105.684%0.83856%0.556SS**SBendtrans-140.4110.4-179.4-71.6-177.5174171-3.1108.6N161N161-R163 PolarHBondContact O-N 3.23Å
164A35.5Very low53.8Low105 Ų105104.9 Ų104.987%0.86855%0.551SS**  trans80.753.6168.100000119.3
165T46.7Very low56Low78 Ų78103.1 Ų103.148%0.47954%0.537SS..  trans-117.3123.2153.745.10000109.8
166S61.7Low58.3Low38 Ų38101 Ų10127%0.26653%0.529SS..  trans-59.3154.7-177.3590000112.6Q168 N169 R170 E239S166-Q168 PolarHBondContact O-N 3.26Å; S166-Q168 VanDerWaalsContact O-N 3.1Å; S166-N169 WeakPolarHBondContact O-CB 3.45Å; S166-N169 PolarHBondContact O-N 2.65Å; S166-R170 PolarHBondContact O-N 3.28Å; S166-E239 WeakPolarHBondContact CA-OE1 3.12Å; S166-E239 WeakPolarHBondContact CB-OE1 3.43Å
167A68.9Low60.7Low12 Ų1298.6 Ų98.610%0.09952%0.521CS..Hα-helixtrans-49.8-35.8171.600000110.7N169 R170 Y171 F237 E239 M244A167-N169 PolarHBondContact O-N 3.37Å; A167-R170 PolarHBondContact O-N 2.89Å; A167-R170 VanDerWaalsContact O-N 3.12Å; A167-Y171 HydrophobicContact CB-CD2 4.42Å; A167-Y171 WeakPolarHBondContact O-CD2 3.32Å; A167-Y171 PolarHBondContact O-N 3.34Å; A167-F237 HydrophobicContact CB-CE2 3.94Å; A167-F237 HydrophobicContact CB-CZ 4.37Å; A167-E239 WeakPolarHBondContact CA-OE2 3.18Å; A167-E239 WeakPolarHBondContact CB-OE2 3.29Å; A167-E239 PolarHBondContact N-OE1 2.93Å; A167-E239 PolarHBondContact N-OE2 3.23Å; A167-M244 HydrophobicContact CB-CE 4.31Å
168Q69.9Low62.7Low132 Ų13293 Ų9362%0.61750%0.5SS*.Hα-helixtrans-57.5-31.5177.1-156.269.33.700113.5S166 R191S166-Q168 PolarHBondContact O-N 3.26Å; S166-Q168 VanDerWaalsContact O-N 3.1Å; Q168-R191 PolarHBondContact O-NE 2.96Å
169N75.2Confident64.8Low104 Ų10495.8 Ų95.856%0.55650%0.501SS*.Hα-helixtrans-85.4-23.8179.6-69.9-15.3000113.2S166 A167 R191S166-N169 WeakPolarHBondContact O-CB 3.45Å; S166-N169 PolarHBondContact O-N 2.65Å; A167-N169 PolarHBondContact O-N 3.37Å; N169-R191 VanDerWaalsContact O-CD 3.24Å; N169-R191 WeakPolarHBondContact O-CD 3.46Å
170R81.6Confident66.5Low53 Ų5391 Ų9120%0.249%0.489CS..Hα-helixtrans-96.4-27.3-179.3-66.6-165-67.4153-0113.2S166 A167 R191 F237S166-R170 PolarHBondContact O-N 3.28Å; A167-R170 PolarHBondContact O-N 2.89Å; A167-R170 VanDerWaalsContact O-N 3.12Å; R170-R191 WeakPolarHBondContact O-CB 3.33Å; R170-R191 PolarHBondContact O-N 3Å; R170-F237 VanDerWaalsContact NH2-CG 3.35Å
171Y87.6Confident67.7Low8 Ų890.1 Ų90.13%0.03149%0.491CS..EExtended strand (participates in β ladder)trans-129.5145.8-171.7-54-82.1000112A167 Y188 R189 R190 R191 V197 I199 F237 E246A167-Y171 HydrophobicContact CB-CD2 4.42Å; A167-Y171 WeakPolarHBondContact O-CD2 3.32Å; A167-Y171 PolarHBondContact O-N 3.34Å; Y171-Y188 VanDerWaalsContact CB-CD1 3.48Å; Y171-Y188 HydrophobicContact CG-CD1 4.45Å; Y171-R189 CarbonylContact C-O 3.56Å; Y171-R189 WeakPolarHBondContact CA-O 3.2Å; Y171-R190 HydrophobicContact CD1-CG 3.98Å; Y171-R190 HydrophobicContact CE1-CG 3.73Å; Y171-R191 PolarHBondContact O-NE 3.41Å; Y171-V197 HydrophobicContact CD1-CG2 4.36Å; Y171-V197 HydrophobicContact CE1-CG2 4.34Å; Y171-I199 HydrophobicContact CD1-CD1 3.77Å; Y171-I199 HydrophobicContact CD2-CD1 3.97Å; Y171-I199 HydrophobicContact CE1-CD1 3.88Å; Y171-I199 HydrophobicContact CE2-CD1 4.1Å; Y171-I199 HydrophobicContact CG-CD1 3.81Å; Y171-F237 HydrophobicContact CD2-CZ 4.24Å; Y171-F237 AromaticContact CE2-CE1 3.82Å; Y171-F237 HydrophobicContact CE2-CE1 3.82Å; Y171-F237 AromaticContact CE2-CZ 3.53Å; Y171-F237 HydrophobicContact CE2-CZ 3.53Å; Y171-E246 VanDerWaalsContact CE1-OE1 3.24Å; Y171-E246 WeakPolarHBondContact CE1-OE1 3.3Å; Y171-E246 PolarHBondContact OH-OE2 3.03Å; Y171-E246 VanDerWaalsContact OH-OE2 3.05Å
172E88.6Confident69.2Low88 Ų8887.3 Ų87.341%0.41147%0.473SS..EExtended strand (participates in β ladder)trans-105.9116.1168.1179.6-168.7-168.300108.4I174 Y188 R189E172-I174 PolarHBondContact O-N 3.03Å; E172-Y188 CarbonylContact O-C 3.5Å; E172-Y188 WeakPolarHBondContact O-CA 3.35Å; E172-Y188 WeakPolarHBondContact O-CD1 3.47Å; E172-R189 HydrophobicContact CB-CB 4.23Å; E172-R189 PolarHBondContact N-O 2.79Å; E172-R189 PolarHBondContact O-N 2.79Å; E172-R189 IonicContact OE2-NE 2.81Å
173R90.6Very high71.1Confident131 Ų13182.5 Ų82.549%0.49445%0.446SS..EExtended strand (participates in β ladder)trans-69.9122.1179.5-166172.6-172.1-95.72.4110.4T176 V186 Y188R173-T176 PolarHBondContact NH2-OG1 2.86Å; R173-T176 VanDerWaalsContact NH2-OG1 3.12Å; R173-V186 HydrophobicContact CG-CG1 3.72Å; R173-Y188 VanDerWaalsContact CA-CE1 3.43Å; R173-Y188 HydrophobicContact CB-CD1 3.93Å; R173-Y188 HydrophobicContact CB-CE1 3.39Å; R173-Y188 WeakPolarHBondContact CD-OH 3.42Å; R173-Y188 HydrophobicContact CG-CD1 4.35Å; R173-Y188 HydrophobicContact CG-CE1 3.67Å; R173-Y188 HydrophobicContact CG-CE2 4.45Å
174I89.6Confident73.5Confident72 Ų7273.1 Ų73.137%0.36942%0.415SS..EExtended strand (participates in β ladder)trans-97.3-64.5179.9-51.8-175.8000110.9E172 L187 R189 L196E172-I174 PolarHBondContact O-N 3.03Å; I174-L187 WeakPolarHBondContact CA-O 3.45Å; I174-L187 HydrophobicContact CB-CB 4.48Å; I174-L187 HydrophobicContact CB-CD2 4.36Å; I174-L187 HydrophobicContact CB-CG 4.29Å; I174-L187 VanDerWaalsContact CB-O 3.32Å; I174-L187 WeakPolarHBondContact CB-O 3.37Å; I174-L187 HydrophobicContact CD1-CD2 4.22Å; I174-L187 HydrophobicContact CD1-CG 4.1Å; I174-L187 HydrophobicContact CG2-CD2 4.3Å; I174-L187 PolarHBondContact N-O 3.5Å; I174-R189 HydrophobicContact CD1-CB 4.03Å; I174-R189 HydrophobicContact CG1-CB 4.4Å; I174-L196 HydrophobicContact CD1-CD2 3.35Å
175R89.2Confident75.9Confident127 Ų12769.4 Ų69.448%0.47938%0.384SS..EExtended strand (participates in β ladder)trans-161.6149.8-176.865-175.5-177.9104.11.6112V177 V186 L187R175-V177 HydrophobicContact CG-CG1 4.49Å; R175-V186 WeakPolarHBondContact O-CG1 3.48Å; R175-L187 HydrophobicContact CG-CB 4.17Å; R175-L187 HydrophobicContact CG-CD2 4.24Å; R175-L187 PolarHBondContact N-O 2.8Å; R175-L187 PolarHBondContact O-N 2.88Å
176T86.8Confident78Confident49 Ų4965.7 Ų65.730%0.30136%0.361SS..EExtended strand (participates in β ladder)trans-72.7127.7168.9-54.70000109.7R173 G178 K179 V186R173-T176 PolarHBondContact NH2-OG1 2.86Å; R173-T176 VanDerWaalsContact NH2-OG1 3.12Å; T176-G178 WeakPolarHBondContact CG2-O 3.47Å; T176-K179 HydrophobicContact CG2-CG 3.96Å; T176-V186 HydrophobicContact CG2-CG2 4.31Å
177V80.8Confident79.4Confident64 Ų6464.2 Ų64.239%0.38835%0.35SS..EExtended strand (participates in β ladder)trans-97.8-25179.3-64.10000112.8R175 A185 L187 I198R175-V177 HydrophobicContact CG-CG1 4.49Å; V177-A185 HydrophobicContact CG2-CB 3.7Å; V177-A185 VanDerWaalsContact CG2-O 3.23Å; V177-A185 WeakPolarHBondContact CG2-O 3.33Å; V177-A185 PolarHBondContact N-O 3.01Å; V177-L187 HydrophobicContact CG1-CB 3.87Å; V177-I198 HydrophobicContact CG1-CD1 4.15Å; V177-I198 HydrophobicContact CG2-CD1 3.77Å
178G74.1Confident80.5Confident32 Ų3264.2 Ų64.233%0.3335%0.348SS..EExtended strand (participates in β ladder)trans-161.6153.7176.700000112T176 S184 A185T176-G178 WeakPolarHBondContact CG2-O 3.47Å; G178-S184 WeakPolarHBondContact O-CA 3.44Å; G178-A185 PolarHBondContact N-O 2.72Å; G178-A185 PolarHBondContact O-N 2.94Å
179K74.1Confident81.4Confident180 Ų18062.6 Ų62.678%0.78334%0.336SS*.EExtended strand (participates in β ladder)trans-125.7129171.6-67.3-173.5177-175.10108.3T176T176-K179 HydrophobicContact CG2-CG 3.96Å
180G65.3Low81.9Confident58 Ų5859.3 Ų59.360%0.59832%0.316SS*.EExtended strand (participates in β ladder)trans-115.8-176.7175.600000111.4F182 G183G180-F182 PolarHBondContact O-N 3.46Å; G180-G183 PolarHBondContact N-O 3.29Å
181A58.2Low82.1Confident84 Ų8463.3 Ų63.369%0.69433%0.331SS*.THydrogen-bonded Turntrans-62-29.5-179.100000113.7
182F62.4Low81.7Confident70 Ų7069.5 Ų69.531%0.30736%0.36SS..THydrogen-bonded Turntrans-114.72.4-172.2-54.4-72.5000114G180 L207 S316 M319G180-F182 PolarHBondContact O-N 3.46Å; F182-L207 HydrophobicContact CD1-CD2 3.81Å; F182-L207 HydrophobicContact CE1-CD2 4.5Å; F182-S316 WeakPolarHBondContact CE2-O 3.13Å; F182-M319 HydrophobicContact CD1-SD 4Å; F182-M319 HydrophobicContact CD2-SD 4.24Å; F182-M319 HydrophobicContact CE1-CB 4.26Å; F182-M319 HydrophobicContact CE1-SD 3.63Å; F182-M319 HydrophobicContact CE2-CB 4.12Å; F182-M319 HydrophobicContact CE2-SD 3.89Å; F182-M319 HydrophobicContact CG-SD 4.3Å; F182-M319 HydrophobicContact CZ-CB 3.54Å; F182-M319 HydrophobicContact CZ-CG 4.18Å; F182-M319 HydrophobicContact CZ-SD 3.58Å; F182-M319 VanDerWaalsContact CZ-SD 3.58Å
183G73.2Confident81.3Confident26 Ų2668.6 Ų68.627%0.26836%0.358SS..EExtended strand (participates in β ladder)trans167.6-177.7-174.400000116.2G180 E201G180-G183 PolarHBondContact N-O 3.29Å; G183-E201 CarbonylContact C-O 3.53Å; G183-E201 WeakPolarHBondContact CA-O 3.5Å
184S82.9Confident80.8Confident25 Ų2565.9 Ų65.918%0.17536%0.359CS..EExtended strand (participates in β ladder)trans-116.7136177.234.70000112.1G178 K200 E201G178-S184 WeakPolarHBondContact O-CA 3.44Å; S184-K200 WeakPolarHBondContact O-CA 3.39Å; S184-E201 PolarHBondContact N-O 3Å; S184-E201 PolarHBondContact O-N 3.47Å; S184-E201 PolarHBondContact OG-OE2 3.46Å; S184-E201 VanDerWaalsContact OG-OE2 3.09Å
185A87.3Confident80.3Confident27 Ų2763.6 Ų63.622%0.22335%0.35CS..EExtended strand (participates in β ladder)trans-90.1123.3164.600000108.3V177 G178 I198V177-A185 HydrophobicContact CG2-CB 3.7Å; V177-A185 VanDerWaalsContact CG2-O 3.23Å; V177-A185 WeakPolarHBondContact CG2-O 3.33Å; V177-A185 PolarHBondContact N-O 3.01Å; G178-A185 PolarHBondContact N-O 2.72Å; G178-A185 PolarHBondContact O-N 2.94Å; A185-I198 HydrophobicContact CB-CG2 4.04Å
186V90.3Very high80.3Confident0 Ų060.9 Ų60.90%035%0.345CS..EExtended strand (participates in β ladder)trans-127.3133.5-174.1-1760000109.6R173 R175 T176 Y188 I198 I199 E201R173-V186 HydrophobicContact CG-CG1 3.72Å; R175-V186 WeakPolarHBondContact O-CG1 3.48Å; T176-V186 HydrophobicContact CG2-CG2 4.31Å; V186-Y188 HydrophobicContact CB-CD2 4.02Å; V186-Y188 HydrophobicContact CB-CE2 3.54Å; V186-Y188 HydrophobicContact CG1-CD2 3.88Å; V186-Y188 HydrophobicContact CG1-CE2 3.44Å; V186-Y188 VanDerWaalsContact CG1-CE2 3.44Å; V186-Y188 WeakPolarHBondContact O-CD2 3.34Å; V186-I198 WeakPolarHBondContact O-CA 3.46Å; V186-I199 PolarHBondContact N-O 3.4Å; V186-I199 PolarHBondContact O-N 2.89Å; V186-E201 HydrophobicContact CG2-CG 4.15Å; V186-E201 WeakPolarHBondContact CG2-OE2 3.22Å
187L91.6Very high80.5Confident6 Ų658.6 Ų58.63%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-78.2123.3172.4-178.367.6000109I174 R175 V177 L196 I198 Y249I174-L187 WeakPolarHBondContact CA-O 3.45Å; I174-L187 HydrophobicContact CB-CB 4.48Å; I174-L187 HydrophobicContact CB-CD2 4.36Å; I174-L187 HydrophobicContact CB-CG 4.29Å; I174-L187 VanDerWaalsContact CB-O 3.32Å; I174-L187 WeakPolarHBondContact CB-O 3.37Å; I174-L187 HydrophobicContact CD1-CD2 4.22Å; I174-L187 HydrophobicContact CD1-CG 4.1Å; I174-L187 HydrophobicContact CG2-CD2 4.3Å; I174-L187 PolarHBondContact N-O 3.5Å; R175-L187 HydrophobicContact CG-CB 4.17Å; R175-L187 HydrophobicContact CG-CD2 4.24Å; R175-L187 PolarHBondContact N-O 2.8Å; R175-L187 PolarHBondContact O-N 2.88Å; V177-L187 HydrophobicContact CG1-CB 3.87Å; L187-L196 HydrophobicContact CD1-CB 4.1Å; L187-L196 HydrophobicContact CD1-CD2 4.44Å; L187-I198 HydrophobicContact CB-CD1 4.03Å; L187-I198 HydrophobicContact CD1-CD1 3.82Å; L187-Y249 HydrophobicContact CD1-CD1 3.99Å; L187-Y249 HydrophobicContact CD1-CD2 3.69Å; L187-Y249 HydrophobicContact CD1-CE1 4.22Å; L187-Y249 HydrophobicContact CD1-CE2 3.91Å; L187-Y249 HydrophobicContact CD1-CG 3.71Å
188Y92.3Very high81Confident13 Ų1356.2 Ų56.25%0.05132%0.315CS..EExtended strand (participates in β ladder)trans-118.5152.6175.4-78.1-91.7000110.4Y171 E172 R173 V186 L196 V197 I199 E201 M244Y171-Y188 VanDerWaalsContact CB-CD1 3.48Å; Y171-Y188 HydrophobicContact CG-CD1 4.45Å; E172-Y188 CarbonylContact O-C 3.5Å; E172-Y188 WeakPolarHBondContact O-CA 3.35Å; E172-Y188 WeakPolarHBondContact O-CD1 3.47Å; R173-Y188 VanDerWaalsContact CA-CE1 3.43Å; R173-Y188 HydrophobicContact CB-CD1 3.93Å; R173-Y188 HydrophobicContact CB-CE1 3.39Å; R173-Y188 WeakPolarHBondContact CD-OH 3.42Å; R173-Y188 HydrophobicContact CG-CD1 4.35Å; R173-Y188 HydrophobicContact CG-CE1 3.67Å; R173-Y188 HydrophobicContact CG-CE2 4.45Å; V186-Y188 HydrophobicContact CB-CD2 4.02Å; V186-Y188 HydrophobicContact CB-CE2 3.54Å; V186-Y188 HydrophobicContact CG1-CD2 3.88Å; V186-Y188 HydrophobicContact CG1-CE2 3.44Å; V186-Y188 VanDerWaalsContact CG1-CE2 3.44Å; V186-Y188 WeakPolarHBondContact O-CD2 3.34Å; Y188-L196 WeakPolarHBondContact O-CA 3.09Å; Y188-V197 PolarHBondContact N-O 2.85Å; Y188-V197 PolarHBondContact O-N 3.34Å; Y188-I199 HydrophobicContact CD1-CD1 4.45Å; Y188-I199 HydrophobicContact CD2-CB 3.63Å; Y188-I199 HydrophobicContact CD2-CD1 3.62Å; Y188-I199 HydrophobicContact CD2-CG1 3.64Å; Y188-I199 HydrophobicContact CE2-CB 3.81Å; Y188-I199 HydrophobicContact CE2-CD1 4.09Å; Y188-I199 HydrophobicContact CE2-CG1 4.24Å; Y188-I199 HydrophobicContact CG-CD1 3.83Å; Y188-I199 HydrophobicContact CG-CG1 4.22Å; Y188-E201 WeakPolarHBondContact CE2-OE1 3.34Å; Y188-E201 PolarHBondContact OH-OE1 3.44Å; Y188-M244 HydrophobicContact CE2-CE 4.47Å
189R88.9Confident81.8Confident97 Ų9754.7 Ų54.737%0.36630%0.299SS..EExtended strand (participates in β ladder)trans-99.3124.3161.6-169.2-172.8-60.6-87.41.3108.2Y171 E172 I174 R191 S194 S195 L196Y171-R189 CarbonylContact C-O 3.56Å; Y171-R189 WeakPolarHBondContact CA-O 3.2Å; E172-R189 HydrophobicContact CB-CB 4.23Å; E172-R189 PolarHBondContact N-O 2.79Å; E172-R189 PolarHBondContact O-N 2.79Å; E172-R189 IonicContact OE2-NE 2.81Å; I174-R189 HydrophobicContact CD1-CB 4.03Å; I174-R189 HydrophobicContact CG1-CB 4.4Å; R189-R191 PolarHBondContact O-N 2.85Å; R189-S194 WeakPolarHBondContact CG-O 3.3Å; R189-S194 PolarHBondContact NH1-O 2.87Å; R189-S195 CarbonylContact C-O 3.59Å; R189-S195 VanDerWaalsContact CA-O 3.32Å; R189-S195 WeakPolarHBondContact CA-O 3.49Å; R189-L196 HydrophobicContact CB-CD2 4.36Å
190R85Confident82.4Confident36 Ų3647.5 Ų47.514%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-64131.1167.1-77.4-172.5-177.9179.6-8.7109.1Y171 E192 D193 S194 S195 V197 E246Y171-R190 HydrophobicContact CD1-CG 3.98Å; Y171-R190 HydrophobicContact CE1-CG 3.73Å; R190-E192 VanDerWaalsContact C-N 3.28Å; R190-D193 WeakPolarHBondContact CB-OD1 3.38Å; R190-D193 WeakPolarHBondContact CD-OD1 3.5Å; R190-S194 WeakPolarHBondContact O-CA 3.19Å; R190-S194 PolarHBondContact O-N 2.78Å; R190-S195 WeakPolarHBondContact CD-OG 3.31Å; R190-S195 PolarHBondContact N-O 2.8Å; R190-V197 HydrophobicContact CG-CG1 4.18Å; R190-V197 HydrophobicContact CG-CG2 4.16Å; R190-E246 IonicContact CZ-OE1 2.81Å; R190-E246 IonicContact CZ-OE2 3.68Å; R190-E246 IonicContact NE-OE1 3.21Å; R190-E246 PolarHBondContact NE-OE1 2.81Å; R190-E246 IonicContact NE-OE2 3.79Å; R190-E246 IonicContact NH2-OE1 2.85Å; R190-E246 PolarHBondContact NH2-OE1 2.97Å; R190-E246 IonicContact NH2-OE2 2.58Å; R190-E246 PolarHBondContact NH2-OE2 3.42Å
191R85.6Confident83.5Confident137 Ų13746.1 Ų46.152%0.51725%0.246SC..THydrogen-bonded Turntrans-73.9-24.7177.8-68.6177178.3-80.11.3112.5Q168 N169 R170 Y171 R189Q168-R191 PolarHBondContact O-NE 2.96Å; N169-R191 VanDerWaalsContact O-CD 3.24Å; N169-R191 WeakPolarHBondContact O-CD 3.46Å; R170-R191 WeakPolarHBondContact O-CB 3.33Å; R170-R191 PolarHBondContact O-N 3Å; Y171-R191 PolarHBondContact O-NE 3.41Å; R189-R191 PolarHBondContact O-N 2.85Å
192E79.4Confident84.8Confident138 Ų13842.4 Ų42.465%0.64522%0.215SC*.THydrogen-bonded Turntrans-70-46.3-176.5-56173.5-162.300112.5R190R190-E192 VanDerWaalsContact C-N 3.28Å
193D79.2Confident85.9Confident68 Ų6841.5 Ų41.536%0.36421%0.213SC..THydrogen-bonded Turntrans-125.35.6-174.270.1-5.9000113.6R145 R190 S195R145-D193 IonicContact CZ-OD2 2.74Å; R145-D193 IonicContact NE-OD2 2.96Å; R145-D193 IonicContact NH2-OD2 3.98Å; R145-D193 PolarHBondContact NH2-OD2 3.3Å; R190-D193 WeakPolarHBondContact CB-OD1 3.38Å; R190-D193 WeakPolarHBondContact CD-OD1 3.5Å; D193-S195 PolarHBondContact O-N 2.62Å; D193-S195 WeakPolarHBondContact OD1-CB 3.45Å; D193-S195 PolarHBondContact OD1-N 3.05Å; D193-S195 PolarHBondContact OD1-OG 2.9Å; D193-S195 WeakPolarHBondContact OD2-CB 3.36Å; D193-S195 PolarHBondContact OD2-OG 3.47Å; D193-S195 VanDerWaalsContact OD2-OG 3.07Å
194S80Confident86.3Confident74 Ų7440.4 Ų40.452%0.51720%0.201SC..  trans58.212.1-175.5-64.70000115.7R189 R190R189-S194 WeakPolarHBondContact CG-O 3.3Å; R189-S194 PolarHBondContact NH1-O 2.87Å; R190-S194 WeakPolarHBondContact O-CA 3.19Å; R190-S194 PolarHBondContact O-N 2.78Å
195S80.6Confident86.3Confident25 Ų2547.2 Ų47.218%0.17522%0.224CC..  trans-74.1154.1-179.168.50000112.5R145 R189 R190 D193R145-S195 PolarHBondContact NH2-OG 2.86Å; R189-S195 CarbonylContact C-O 3.59Å; R189-S195 VanDerWaalsContact CA-O 3.32Å; R189-S195 WeakPolarHBondContact CA-O 3.49Å; R190-S195 WeakPolarHBondContact CD-OG 3.31Å; R190-S195 PolarHBondContact N-O 2.8Å; D193-S195 PolarHBondContact O-N 2.62Å; D193-S195 WeakPolarHBondContact OD1-CB 3.45Å; D193-S195 PolarHBondContact OD1-N 3.05Å; D193-S195 PolarHBondContact OD1-OG 2.9Å; D193-S195 WeakPolarHBondContact OD2-CB 3.36Å; D193-S195 PolarHBondContact OD2-OG 3.47Å; D193-S195 VanDerWaalsContact OD2-OG 3.07Å
196L88.3Confident85.9Confident70 Ų7051.7 Ų51.737%0.36624%0.244SC..EExtended strand (participates in β ladder)trans-92.4131.3176.4-65.1-179.8000110.5I174 L187 Y188 R189 Y249I174-L196 HydrophobicContact CD1-CD2 3.35Å; L187-L196 HydrophobicContact CD1-CB 4.1Å; L187-L196 HydrophobicContact CD1-CD2 4.44Å; Y188-L196 WeakPolarHBondContact O-CA 3.09Å; R189-L196 HydrophobicContact CB-CD2 4.36Å; L196-Y249 HydrophobicContact CB-CD1 3.86Å; L196-Y249 HydrophobicContact CB-CG 4.46Å; L196-Y249 HydrophobicContact CD1-CD1 4.16Å; L196-Y249 HydrophobicContact CD1-CE1 4.08Å
197V90.4Very high85.1Confident0 Ų052.8 Ų52.80%025%0.25CC..EExtended strand (participates in β ladder)trans-137.5152.7-179.3-63.60000110.3Y171 Y188 R190 I199 Y234 E246Y171-V197 HydrophobicContact CD1-CG2 4.36Å; Y171-V197 HydrophobicContact CE1-CG2 4.34Å; Y188-V197 PolarHBondContact N-O 2.85Å; Y188-V197 PolarHBondContact O-N 3.34Å; R190-V197 HydrophobicContact CG-CG1 4.18Å; R190-V197 HydrophobicContact CG-CG2 4.16Å; V197-I199 HydrophobicContact CG2-CG1 4.33Å; V197-Y234 HydrophobicContact CG1-CD2 4.06Å; V197-Y234 HydrophobicContact CG1-CE2 4Å; V197-E246 HydrophobicContact CB-CG 4.13Å; V197-E246 HydrophobicContact CG1-CG 4.47Å; V197-E246 HydrophobicContact CG2-CG 4.26Å; V197-E246 WeakPolarHBondContact CG2-OE1 3.36Å
198I91.6Very high84.4Confident14 Ų1456.2 Ų56.27%0.07227%0.268CS..EExtended strand (participates in β ladder)trans-96128.4167.9-63.6-54.1000108.2V177 A185 V186 L187 M247 Y249V177-I198 HydrophobicContact CG1-CD1 4.15Å; V177-I198 HydrophobicContact CG2-CD1 3.77Å; A185-I198 HydrophobicContact CB-CG2 4.04Å; V186-I198 WeakPolarHBondContact O-CA 3.46Å; L187-I198 HydrophobicContact CB-CD1 4.03Å; L187-I198 HydrophobicContact CD1-CD1 3.82Å; I198-M247 HydrophobicContact CB-CE 4.36Å; I198-M247 HydrophobicContact CG2-CE 3.84Å; I198-M247 PolarHBondContact N-O 3.04Å; I198-M247 PolarHBondContact O-N 2.9Å; I198-Y249 HydrophobicContact CD1-CD2 3.6Å; I198-Y249 HydrophobicContact CD1-CE2 4.26Å; I198-Y249 HydrophobicContact CD1-CG 4.42Å; I198-Y249 HydrophobicContact CG1-CD2 3.85Å; I198-Y249 HydrophobicContact CG1-CG 4.48Å
199I91.2Very high83.6Confident0 Ų060.1 Ų60.10%030%0.298CS..EExtended strand (participates in β ladder)trans-109.9120.6167.7-55.6-178.1000108.1Y171 V186 Y188 V197 E201 M244 I245 E246Y171-I199 HydrophobicContact CD1-CD1 3.77Å; Y171-I199 HydrophobicContact CD2-CD1 3.97Å; Y171-I199 HydrophobicContact CE1-CD1 3.88Å; Y171-I199 HydrophobicContact CE2-CD1 4.1Å; Y171-I199 HydrophobicContact CG-CD1 3.81Å; V186-I199 PolarHBondContact N-O 3.4Å; V186-I199 PolarHBondContact O-N 2.89Å; Y188-I199 HydrophobicContact CD1-CD1 4.45Å; Y188-I199 HydrophobicContact CD2-CB 3.63Å; Y188-I199 HydrophobicContact CD2-CD1 3.62Å; Y188-I199 HydrophobicContact CD2-CG1 3.64Å; Y188-I199 HydrophobicContact CE2-CB 3.81Å; Y188-I199 HydrophobicContact CE2-CD1 4.09Å; Y188-I199 HydrophobicContact CE2-CG1 4.24Å; Y188-I199 HydrophobicContact CG-CD1 3.83Å; Y188-I199 HydrophobicContact CG-CG1 4.22Å; V197-I199 HydrophobicContact CG2-CG1 4.33Å; I199-E201 HydrophobicContact CG2-CG 4.45Å; I199-M244 HydrophobicContact CG2-CB 3.75Å; I199-M244 HydrophobicContact CG2-CE 3.7Å; I199-M244 HydrophobicContact CG2-CG 4.36Å; I199-M244 HydrophobicContact CG2-SD 3.84Å; I199-I245 CarbonylContact C-O 3.57Å; I199-I245 VanDerWaalsContact CA-O 3.3Å; I199-I245 WeakPolarHBondContact CA-O 3.48Å; I199-E246 HydrophobicContact CG1-CB 4.45Å; I199-E246 HydrophobicContact CG1-CG 4.3Å
200K87.4Confident82.7Confident30 Ų3058.1 Ų58.113%0.1330%0.298CS..EExtended strand (participates in β ladder)trans-86.6113.3171.6-170.4176.2178.3179.80107.5S184 I202 E218 M244 I245 D312S184-K200 WeakPolarHBondContact O-CA 3.39Å; K200-I202 HydrophobicContact CD-CD1 4.49Å; K200-I202 HydrophobicContact CG-CD1 4.46Å; K200-I202 HydrophobicContact CG-CG1 4.28Å; K200-E218 IonicContact NZ-OE1 3.57Å; K200-E218 PolarHBondContact NZ-OE1 3.36Å; K200-M244 WeakPolarHBondContact O-CA 3.43Å; K200-I245 HydrophobicContact CB-CB 4.3Å; K200-I245 PolarHBondContact N-O 2.82Å; K200-I245 PolarHBondContact O-N 3.19Å; K200-D312 IonicContact NZ-OD1 2.87Å
201E88.6Confident82Confident28 Ų2858.3 Ų58.313%0.13130%0.301CS..EExtended strand (participates in β ladder)trans-97.9114.3-177.3-43.8-179.7153.700108.1G183 S184 V186 Y188 I199 V242 M244G183-E201 CarbonylContact C-O 3.53Å; G183-E201 WeakPolarHBondContact CA-O 3.5Å; S184-E201 PolarHBondContact N-O 3Å; S184-E201 PolarHBondContact O-N 3.47Å; S184-E201 PolarHBondContact OG-OE2 3.46Å; S184-E201 VanDerWaalsContact OG-OE2 3.09Å; V186-E201 HydrophobicContact CG2-CG 4.15Å; V186-E201 WeakPolarHBondContact CG2-OE2 3.22Å; Y188-E201 WeakPolarHBondContact CE2-OE1 3.34Å; Y188-E201 PolarHBondContact OH-OE1 3.44Å; I199-E201 HydrophobicContact CG2-CG 4.45Å; E201-V242 HydrophobicContact CB-CG1 3.97Å; E201-M244 HydrophobicContact CB-SD 3.84Å; E201-M244 HydrophobicContact CG-CE 4.06Å; E201-M244 HydrophobicContact CG-SD 3.56Å; E201-M244 VanDerWaalsContact CG-SD 3.56Å
202I84.1Confident81.6Confident6 Ų656 Ų563%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-117.1118.3-178.9-59.8173.1000108.1K200 M204 L207 V242 L243 I245K200-I202 HydrophobicContact CD-CD1 4.49Å; K200-I202 HydrophobicContact CG-CD1 4.46Å; K200-I202 HydrophobicContact CG-CG1 4.28Å; I202-M204 HydrophobicContact CG2-SD 4.45Å; I202-M204 PolarHBondContact O-N 3.48Å; I202-L207 HydrophobicContact CG2-CD1 3.79Å; I202-V242 CarbonylContact O-C 3.54Å; I202-V242 WeakPolarHBondContact O-CA 3.19Å; I202-L243 HydrophobicContact CB-CB 4.33Å; I202-L243 PolarHBondContact N-O 2.9Å; I202-L243 PolarHBondContact O-N 3.13Å; I202-I245 HydrophobicContact CD1-CD1 4.01Å
203N85.2Confident81.4Confident51 Ų5157 Ų5727%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-75.1109.2177.3-1750.9000109.9Y205 D206N203-Y205 PolarHBondContact O-N 3.46Å; N203-Y205 WeakPolarHBondContact OD1-CB 3.36Å; N203-Y205 PolarHBondContact OD1-N 3.05Å; N203-Y205 VanDerWaalsContact OD1-N 3.1Å; N203-D206 HydrophobicContact CB-CB 4.46Å; N203-D206 WeakPolarHBondContact CB-OD2 3.43Å; N203-D206 PolarHBondContact ND2-OD1 3.32Å; N203-D206 PolarHBondContact ND2-OD2 3.02Å; N203-D206 PolarHBondContact O-N 3.44Å
204M83.4Confident80.9Confident3 Ų356 Ų562%0.01528%0.284CS..THydrogen-bonded Turntrans-73.6-16.6-176.9-59.3-71.8-9300112.6I202 L207 R212 L216 G241 L243I202-M204 HydrophobicContact CG2-SD 4.45Å; I202-M204 PolarHBondContact O-N 3.48Å; M204-L207 HydrophobicContact SD-CD1 4.13Å; M204-R212 HydrophobicContact CE-CG 3.45Å; M204-R212 VanDerWaalsContact CE-CG 3.45Å; M204-R212 HydrophobicContact SD-CG 4.32Å; M204-L216 HydrophobicContact CE-CD2 4.2Å; M204-L216 HydrophobicContact CE-CG 4.27Å; M204-G241 WeakPolarHBondContact CA-O 3.44Å; M204-G241 WeakPolarHBondContact CB-O 3.36Å; M204-G241 WeakPolarHBondContact CG-O 3.3Å; M204-G241 PolarHBondContact N-O 3.09Å; M204-L243 HydrophobicContact CE-CB 4.24Å; M204-L243 HydrophobicContact CE-CD2 4.19Å; M204-L243 HydrophobicContact CG-CB 3.73Å; M204-L243 HydrophobicContact SD-CB 3.64Å; M204-L243 HydrophobicContact SD-CD2 4.03Å; M204-L243 HydrophobicContact SD-CG 4.47Å
205Y82.7Confident80.6Confident168 Ų16852.6 Ų52.666%0.65926%0.261SS*.THydrogen-bonded Turntrans-75.9-24.6175.4-63-58000113.2N203 L207 E240N203-Y205 PolarHBondContact O-N 3.46Å; N203-Y205 WeakPolarHBondContact OD1-CB 3.36Å; N203-Y205 PolarHBondContact OD1-N 3.05Å; N203-Y205 VanDerWaalsContact OD1-N 3.1Å; Y205-L207 PolarHBondContact O-N 2.99Å; Y205-E240 VanDerWaalsContact CE2-O 3.3Å; Y205-E240 WeakPolarHBondContact CE2-O 3.5Å
206D78.1Confident80.6Confident122 Ų12255.1 Ų55.165%0.65227%0.272SS*.SBendtrans-82.1-6.5178.8-62.3-22.5000112N203N203-D206 HydrophobicContact CB-CB 4.46Å; N203-D206 WeakPolarHBondContact CB-OD2 3.43Å; N203-D206 PolarHBondContact ND2-OD1 3.32Å; N203-D206 PolarHBondContact ND2-OD2 3.02Å; N203-D206 PolarHBondContact O-N 3.44Å
207L74.5Confident79.8Confident22 Ų2256.5 Ų56.512%0.11528%0.279CS..SBendtrans-102.8137-175.2-58.1-176.7000111.8F182 I202 M204 Y205 Q211 A215F182-L207 HydrophobicContact CD1-CD2 3.81Å; F182-L207 HydrophobicContact CE1-CD2 4.5Å; I202-L207 HydrophobicContact CG2-CD1 3.79Å; M204-L207 HydrophobicContact SD-CD1 4.13Å; Y205-L207 PolarHBondContact O-N 2.99Å; L207-Q211 HydrophobicContact CB-CB 3.82Å; L207-Q211 HydrophobicContact CD2-CB 4.05Å; L207-Q211 HydrophobicContact CG-CB 4.34Å; L207-A215 HydrophobicContact CD1-CB 4.2Å
208D76.1Confident78.8Confident78 Ų7856.8 Ų56.842%0.41728%0.281SS..  trans-71.3173167.772.548.3000112.1S210 Q211 R212D208-S210 PolarHBondContact O-N 3.4Å; D208-S210 VanDerWaalsContact OD1-CA 3.27Å; D208-S210 WeakPolarHBondContact OD1-CA 3.49Å; D208-S210 VanDerWaalsContact OD1-CB 3.25Å; D208-S210 WeakPolarHBondContact OD1-CB 3.45Å; D208-S210 PolarHBondContact OD1-N 3.14Å; D208-S210 PolarHBondContact OD1-OG 3.09Å; D208-Q211 PolarHBondContact O-N 3.32Å; D208-Q211 PolarHBondContact OD1-N 3.34Å; D208-R212 WeakPolarHBondContact O-CB 3.5Å; D208-R212 PolarHBondContact O-N 3.21Å
209S76Confident78.3Confident96 Ų9657 Ų5767%0.67128%0.283SS*.Hα-helixtrans-62.5-26-178.1-63.70000114.3R213S209-R213 WeakPolarHBondContact O-CG 3.5Å; S209-R213 PolarHBondContact O-N 3.23Å; S209-R213 PolarHBondContact O-NE 3.44Å; S209-R213 VanDerWaalsContact O-NE 3.08Å
210S69.7Low77.6Confident54 Ų5459.3 Ų59.338%0.37830%0.299SS..Hα-helixtrans-77.3-45.3174.579.20000110.8D208 R212 R213 L214D208-S210 PolarHBondContact O-N 3.4Å; D208-S210 VanDerWaalsContact OD1-CA 3.27Å; D208-S210 WeakPolarHBondContact OD1-CA 3.49Å; D208-S210 VanDerWaalsContact OD1-CB 3.25Å; D208-S210 WeakPolarHBondContact OD1-CB 3.45Å; D208-S210 PolarHBondContact OD1-N 3.14Å; D208-S210 PolarHBondContact OD1-OG 3.09Å; S210-R212 PolarHBondContact O-N 2.99Å; S210-R213 PolarHBondContact O-N 3.44Å; S210-L214 WeakPolarHBondContact O-CG 3.41Å; S210-L214 PolarHBondContact O-N 3.23Å
211Q70.2Confident77.1Confident41 Ų4160.2 Ų60.219%0.19231%0.305CS..Hα-helixtrans-64.7-41178.9-68.8173-26.400111.5L207 D208 R213 L214 A215 M319L207-Q211 HydrophobicContact CB-CB 3.82Å; L207-Q211 HydrophobicContact CD2-CB 4.05Å; L207-Q211 HydrophobicContact CG-CB 4.34Å; D208-Q211 PolarHBondContact O-N 3.32Å; D208-Q211 PolarHBondContact OD1-N 3.34Å; Q211-R213 PolarHBondContact O-N 3.47Å; Q211-L214 PolarHBondContact O-N 3.25Å; Q211-A215 PolarHBondContact O-N 3.21Å; Q211-M319 HydrophobicContact CB-CE 4.02Å; Q211-M319 HydrophobicContact CB-SD 4.15Å; Q211-M319 HydrophobicContact CG-CE 4.44Å; Q211-M319 HydrophobicContact CG-CG 4.38Å; Q211-M319 HydrophobicContact CG-SD 4.02Å; Q211-M319 WeakPolarHBondContact O-CE 3.38Å
212R77.2Confident76.8Confident87 Ų8759.5 Ų59.533%0.32830%0.302SS..Hα-helixtrans-59.5-43.6174.3-168.5178.7178136.68112.3M204 D208 S210 L214 A215 L216 E238M204-R212 HydrophobicContact CE-CG 3.45Å; M204-R212 VanDerWaalsContact CE-CG 3.45Å; M204-R212 HydrophobicContact SD-CG 4.32Å; D208-R212 WeakPolarHBondContact O-CB 3.5Å; D208-R212 PolarHBondContact O-N 3.21Å; S210-R212 PolarHBondContact O-N 2.99Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-A215 PolarHBondContact O-N 2.74Å; R212-L216 WeakPolarHBondContact O-CG 3.39Å; R212-L216 PolarHBondContact O-N 2.97Å; R212-L216 VanDerWaalsContact O-N 3.1Å; R212-E238 IonicContact CZ-OE1 3.8Å; R212-E238 VanDerWaalsContact NH2-CD 3.26Å; R212-E238 IonicContact NH2-OE1 2.77Å; R212-E238 PolarHBondContact NH2-OE1 3.5Å; R212-E238 IonicContact NH2-OE2 2.93Å; R212-E238 PolarHBondContact NH2-OE2 2.96Å
213R75.1Confident76.7Confident160 Ų16062.3 Ų62.360%0.60432%0.322SS*.Hα-helixtrans-64-40.2176.6-78.5-177.8-68.7169.81.1111.8S209 S210 Q211 L216 N217S209-R213 WeakPolarHBondContact O-CG 3.5Å; S209-R213 PolarHBondContact O-N 3.23Å; S209-R213 PolarHBondContact O-NE 3.44Å; S209-R213 VanDerWaalsContact O-NE 3.08Å; S210-R213 PolarHBondContact O-N 3.44Å; Q211-R213 PolarHBondContact O-N 3.47Å; R213-L216 PolarHBondContact O-N 3.43Å; R213-N217 WeakPolarHBondContact O-CB 3.41Å; R213-N217 PolarHBondContact O-N 3.16Å; R213-N217 PolarHBondContact O-ND2 2.58Å
214L68.8Low76.5Confident47 Ų4768.9 Ų68.925%0.24634%0.343CS..Hα-helixtrans-65.3-41.6176.5-70.8171.9000112S210 Q211 R212 L216 N217 E218 M319S210-L214 WeakPolarHBondContact O-CG 3.41Å; S210-L214 PolarHBondContact O-N 3.23Å; Q211-L214 PolarHBondContact O-N 3.25Å; R212-L214 VanDerWaalsContact C-N 3.34Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 2.74Å; L214-N217 WeakPolarHBondContact O-CB 3.32Å; L214-N217 PolarHBondContact O-N 3.08Å; L214-E218 PolarHBondContact O-N 3.32Å; L214-M319 HydrophobicContact CB-CE 3.52Å; L214-M319 HydrophobicContact CD1-CE 4.13Å; L214-M319 HydrophobicContact CD1-CG 3.91Å; L214-M319 HydrophobicContact CG-CE 4.48Å
215A73.2Confident76.5Confident2 Ų269.6 Ų69.62%0.01735%0.347CS..Hα-helixtrans-61.2-40.5174.800000112.3L207 Q211 R212 E218 V219 L243L207-A215 HydrophobicContact CD1-CB 4.2Å; Q211-A215 PolarHBondContact O-N 3.21Å; R212-A215 PolarHBondContact O-N 2.74Å; A215-E218 WeakPolarHBondContact O-CB 3.49Å; A215-E218 PolarHBondContact O-N 3.07Å; A215-V219 PolarHBondContact O-N 3.07Å; A215-L243 HydrophobicContact CB-CD2 4.29Å
216L79.8Confident76.5Confident79 Ų7966.8 Ų66.841%0.41434%0.34SS..Hα-helixtrans-69.9-34174.6-67172.6000112.8M204 R212 R213 L214 E218 V219 S220 L243M204-L216 HydrophobicContact CE-CD2 4.2Å; M204-L216 HydrophobicContact CE-CG 4.27Å; R212-L216 WeakPolarHBondContact O-CG 3.39Å; R212-L216 PolarHBondContact O-N 2.97Å; R212-L216 VanDerWaalsContact O-N 3.1Å; R213-L216 PolarHBondContact O-N 3.43Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 2.74Å; L216-E218 VanDerWaalsContact C-N 3.33Å; L216-V219 PolarHBondContact O-N 3.29Å; L216-S220 PolarHBondContact O-N 3.39Å; L216-S220 VanDerWaalsContact O-N 3.08Å; L216-L243 HydrophobicContact CD2-CD2 4.47Å
217N72.2Confident76.8Confident98 Ų9862.5 Ų62.552%0.52432%0.316SS..Hα-helixtrans-66.2-35.9173-73.6-15.6000111.7R213 L214 S220 L221R213-N217 WeakPolarHBondContact O-CB 3.41Å; R213-N217 PolarHBondContact O-N 3.16Å; R213-N217 PolarHBondContact O-ND2 2.58Å; L214-N217 WeakPolarHBondContact O-CB 3.32Å; L214-N217 PolarHBondContact O-N 3.08Å; N217-S220 PolarHBondContact O-N 2.97Å; N217-L221 WeakPolarHBondContact O-CB 3.38Å; N217-L221 PolarHBondContact O-N 2.7Å
218E70.9Confident77.4Confident7 Ų765.2 Ų65.23%0.03334%0.335CS..Hα-helixtrans-57.8-49.3173.4-176176.6162.800110.2K200 L214 A215 L216 S220 L221 L222 I315K200-E218 IonicContact NZ-OE1 3.57Å; K200-E218 PolarHBondContact NZ-OE1 3.36Å; L214-E218 PolarHBondContact O-N 3.32Å; A215-E218 WeakPolarHBondContact O-CB 3.49Å; A215-E218 PolarHBondContact O-N 3.07Å; L216-E218 VanDerWaalsContact C-N 3.33Å; E218-S220 PolarHBondContact O-N 3.16Å; E218-L221 PolarHBondContact O-N 3.25Å; E218-L221 VanDerWaalsContact O-N 3.17Å; E218-L222 HydrophobicContact CG-CD1 3.88Å; E218-L222 HydrophobicContact CG-CG 4.29Å; E218-L222 WeakPolarHBondContact O-CB 3.3Å; E218-L222 VanDerWaalsContact O-CG 3.28Å; E218-L222 WeakPolarHBondContact O-CG 3.42Å; E218-L222 PolarHBondContact O-N 3.24Å; E218-I315 HydrophobicContact CB-CG2 4.12Å; E218-I315 HydrophobicContact CG-CB 4.47Å; E218-I315 HydrophobicContact CG-CD1 4.47Å
219V79.2Confident78.2Confident18 Ų1862.2 Ų62.211%0.10932%0.318CS..Hα-helixtrans-56.4-48.5174.7171.60000111.8A215 L216 L221 L222 S223 Y233 S236 L243 I245A215-V219 PolarHBondContact O-N 3.07Å; L216-V219 PolarHBondContact O-N 3.29Å; V219-L221 PolarHBondContact O-N 3.38Å; V219-L222 PolarHBondContact O-N 3.21Å; V219-S223 WeakPolarHBondContact O-CB 3.48Å; V219-S223 PolarHBondContact O-N 2.91Å; V219-Y233 HydrophobicContact CG1-CE2 4.25Å; V219-S236 WeakPolarHBondContact CG1-OG 3.32Å; V219-L243 HydrophobicContact CG2-CD2 4.1Å; V219-I245 HydrophobicContact CG2-CD1 3.51Å; V219-I245 HydrophobicContact CG2-CG1 3.78Å
220S77.7Confident79Confident48 Ų4857.8 Ų57.834%0.33629%0.287SS..Hα-helixtrans-65.2-25.3-179.2-179.80000113.6L216 N217 E218 S223 R224L216-S220 PolarHBondContact O-N 3.39Å; L216-S220 VanDerWaalsContact O-N 3.08Å; N217-S220 PolarHBondContact O-N 2.97Å; E218-S220 PolarHBondContact O-N 3.16Å; S220-S223 PolarHBondContact O-OG 2.84Å; S220-R224 WeakPolarHBondContact O-CG 3.4Å; S220-R224 PolarHBondContact O-NE 3.44Å
221L77.1Confident80Confident50 Ų5056 Ų5626%0.26227%0.274SS..Hα-helixtrans-84-47.1177.1178.2150.7000110.3N217 E218 V219 S223 R224 I225 V290 I315N217-L221 WeakPolarHBondContact O-CB 3.38Å; N217-L221 PolarHBondContact O-N 2.7Å; E218-L221 PolarHBondContact O-N 3.25Å; E218-L221 VanDerWaalsContact O-N 3.17Å; V219-L221 PolarHBondContact O-N 3.38Å; L221-S223 PolarHBondContact O-N 3Å; L221-R224 PolarHBondContact O-N 2.59Å; L221-I225 HydrophobicContact CD2-CD1 3.36Å; L221-I225 HydrophobicContact CD2-CG1 4.29Å; L221-I225 HydrophobicContact CG-CD1 4.29Å; L221-V290 HydrophobicContact CD1-CG1 4.29Å; L221-V290 HydrophobicContact CD1-CG2 4.15Å; L221-V290 HydrophobicContact CD2-CG1 4.31Å; L221-V290 HydrophobicContact CG-CG2 4.48Å; L221-I315 HydrophobicContact CB-CD1 4.35Å; L221-I315 HydrophobicContact CD1-CD1 3.73Å; L221-I315 HydrophobicContact CD2-CD1 3.49Å; L221-I315 VanDerWaalsContact CD2-CD1 3.49Å; L221-I315 HydrophobicContact CG-CD1 4.06Å
222L82Confident80.8Confident13 Ų1355.5 Ų55.57%0.06828%0.276CS..Hα-helixtrans-56.3-38.8176.9-73.9176000111.8E218 V219 R224 I225 Y233 I245 F313E218-L222 HydrophobicContact CG-CD1 3.88Å; E218-L222 HydrophobicContact CG-CG 4.29Å; E218-L222 WeakPolarHBondContact O-CB 3.3Å; E218-L222 VanDerWaalsContact O-CG 3.28Å; E218-L222 WeakPolarHBondContact O-CG 3.42Å; E218-L222 PolarHBondContact O-N 3.24Å; V219-L222 PolarHBondContact O-N 3.21Å; L222-R224 PolarHBondContact O-N 2.97Å; L222-R224 VanDerWaalsContact O-N 3.08Å; L222-I225 PolarHBondContact O-N 3.35Å; L222-Y233 HydrophobicContact CB-CD2 3.85Å; L222-Y233 HydrophobicContact CB-CG 4.22Å; L222-I245 HydrophobicContact CD1-CG2 4.29Å; L222-F313 HydrophobicContact CD2-CD2 3.49Å; L222-F313 VanDerWaalsContact CD2-CD2 3.49Å; L222-F313 HydrophobicContact CD2-CE2 3.59Å
223S82.2Confident81.3Confident65 Ų6553.8 Ų53.846%0.45527%0.27SS..THydrogen-bonded Turntrans-66.5-8.3178.978.60000114.6V219 S220 L221V219-S223 WeakPolarHBondContact O-CB 3.48Å; V219-S223 PolarHBondContact O-N 2.91Å; S220-S223 PolarHBondContact O-OG 2.84Å; L221-S223 PolarHBondContact O-N 3Å
224R80.7Confident81.7Confident188 Ų18849.3 Ų49.371%0.70925%0.254SS*.THydrogen-bonded Turntrans-108.8-9.5-179.5-60.6178.3-170.2-174.63.8113.3S220 L221 L222S220-R224 WeakPolarHBondContact O-CG 3.4Å; S220-R224 PolarHBondContact O-NE 3.44Å; L221-R224 PolarHBondContact O-N 2.59Å; L222-R224 PolarHBondContact O-N 2.97Å; L222-R224 VanDerWaalsContact O-N 3.08Å
225I82.2Confident82.5Confident18 Ų1850.3 Ų50.39%0.09226%0.259CS..  trans-94.8120.6-176.2-69.7-179.9000108.7L221 L222 I230 Y284 L285 V290 F313L221-I225 HydrophobicContact CD2-CD1 3.36Å; L221-I225 HydrophobicContact CD2-CG1 4.29Å; L221-I225 HydrophobicContact CG-CD1 4.29Å; L222-I225 PolarHBondContact O-N 3.35Å; I225-I230 HydrophobicContact CG2-CB 4.44Å; I225-I230 HydrophobicContact CG2-CD1 3.88Å; I225-I230 HydrophobicContact CG2-CG2 3.75Å; I225-Y284 HydrophobicContact CG2-CE1 3.97Å; I225-L285 HydrophobicContact CD1-CD2 3.74Å; I225-L285 HydrophobicContact CG2-CD2 4.31Å; I225-V290 HydrophobicContact CD1-CG1 4.28Å; I225-V290 HydrophobicContact CD1-CG2 4.43Å; I225-F313 HydrophobicContact CD1-CE1 4.31Å; I225-F313 HydrophobicContact CD1-CZ 4.06Å; I225-F313 HydrophobicContact CG2-CZ 4.39Å
226E83.5Confident83Confident110 Ų11051.6 Ų51.651%0.51427%0.268SS..  trans-139109176.7-170.9173.4-16900110Y284E226-Y284 PolarHBondContact N-OH 3.42Å; E226-Y284 VanDerWaalsContact O-CZ 3.28Å; E226-Y284 PolarHBondContact O-OH 3.41Å
227H85.4Confident83.4Confident31 Ų3149.4 Ų49.414%0.14426%0.255CS..  trans-152.6140.5178.2-176.5-87.3000109.9N229 I230 S280 A281 Y284H227-N229 PolarHBondContact CE1-OD1 3.26Å; H227-N229 PolarHBondContact ND1-N 3.14Å; H227-N229 PolarHBondContact O-N 2.92Å; H227-N229 VanDerWaalsContact O-N 3.16Å; H227-I230 HydrophobicContact CB-CB 4.15Å; H227-I230 HydrophobicContact CB-CD1 3.76Å; H227-I230 HydrophobicContact CB-CG1 3.89Å; H227-I230 PolarHBondContact O-N 3.06Å; H227-S280 PolarHBondContact CE1-OG 3.28Å; H227-S280 PolarHBondContact NE2-OG 3Å; H227-S280 VanDerWaalsContact NE2-OG 3.14Å; H227-A281 PolarHBondContact CE1-N 3.3Å; H227-Y284 HydrophobicContact CB-CD1 3.84Å; H227-Y284 HydrophobicContact CB-CE1 4.12Å; H227-Y284 HydrophobicContact CB-CG 4.05Å; H227-Y284 AromaticContact CD2-CG 3.81Å
228P87.4Confident84Confident80 Ų8049.1 Ų49.152%0.51925%0.251SS..THydrogen-bonded Turntrans-56.9-35-176.620.3-33.8000113.8K309P228-K309 PolarHBondContact O-NZ 3.38Å
229N92.9Very high84.5Confident14 Ų1451.1 Ų51.18%0.07526%0.26CS..THydrogen-bonded Turntrans-95.422.7178.8-53.8110.7000114.4H227 Q277 A281 V308 K309 I310H227-N229 PolarHBondContact CE1-OD1 3.26Å; H227-N229 PolarHBondContact ND1-N 3.14Å; H227-N229 PolarHBondContact O-N 2.92Å; H227-N229 VanDerWaalsContact O-N 3.16Å; N229-Q277 PolarHBondContact ND2-OE1 3.18Å; N229-A281 HydrophobicContact CB-CB 3.95Å; N229-A281 WeakPolarHBondContact O-CB 3.38Å; N229-V308 WeakPolarHBondContact CA-O 3.33Å; N229-V308 VanDerWaalsContact CB-O 3.24Å; N229-V308 WeakPolarHBondContact CB-O 3.4Å; N229-V308 PolarHBondContact ND2-O 2.92Å; N229-K309 CarbonylContact O-C 3.14Å; N229-K309 WeakPolarHBondContact O-CA 3.42Å; N229-I310 PolarHBondContact O-N 2.94Å
230I91.7Very high84.7Confident3 Ų358.4 Ų58.42%0.01529%0.293CS..BIsolated β-bridgetrans-124.7143171.2-62.3179.6000108.2I225 H227 A232 A281 Y284 L285 I310 F313I225-I230 HydrophobicContact CG2-CB 4.44Å; I225-I230 HydrophobicContact CG2-CD1 3.88Å; I225-I230 HydrophobicContact CG2-CG2 3.75Å; H227-I230 HydrophobicContact CB-CB 4.15Å; H227-I230 HydrophobicContact CB-CD1 3.76Å; H227-I230 HydrophobicContact CB-CG1 3.89Å; H227-I230 PolarHBondContact O-N 3.06Å; I230-A232 PolarHBondContact O-N 3.39Å; I230-A281 HydrophobicContact CD1-CB 4.2Å; I230-A281 HydrophobicContact CG1-CB 3.68Å; I230-Y284 HydrophobicContact CD1-CD1 3.79Å; I230-Y284 HydrophobicContact CD1-CE1 4.33Å; I230-L285 HydrophobicContact CD1-CD1 4.14Å; I230-L285 HydrophobicContact CD1-CD2 3.77Å; I230-L285 HydrophobicContact CD1-CG 3.73Å; I230-I310 CarbonylContact C-O 3.51Å; I230-I310 WeakPolarHBondContact CA-O 3.19Å; I230-F313 HydrophobicContact CG2-CE2 4.15Å; I230-F313 HydrophobicContact CG2-CZ 3.65Å
231I91.1Very high84.8Confident18 Ų1856.4 Ų56.49%0.09228%0.28CS..PPolyproline II helixtrans-60.4118.7174.4-66.1-67.3000109M247 E248 A250 F301 K309 I310I231-M247 HydrophobicContact CG2-CB 4.05Å; I231-E248 HydrophobicContact CG2-CB 4.18Å; I231-A250 HydrophobicContact CD1-CB 3.95Å; I231-F301 HydrophobicContact CD1-CB 4.21Å; I231-F301 HydrophobicContact CD1-CD2 4.06Å; I231-F301 HydrophobicContact CD1-CG 4.19Å; I231-F301 HydrophobicContact CG1-CD2 3.86Å; I231-F301 HydrophobicContact CG1-CE2 4.33Å; I231-F301 HydrophobicContact CG1-CG 4.49Å; I231-K309 HydrophobicContact CD1-CB 3.68Å; I231-K309 HydrophobicContact CD1-CD 4.04Å; I231-K309 HydrophobicContact CD1-CG 4.49Å; I231-K309 HydrophobicContact CG1-CB 4.13Å; I231-I310 PolarHBondContact N-O 3.16Å
232A87.7Confident85.3Confident30 Ų3056 Ų5625%0.24828%0.28CS..PPolyproline II helixtrans-72.1139-177.600000112.1I230 Y234 M247 E248I230-A232 PolarHBondContact O-N 3.39Å; A232-Y234 HydrophobicContact CB-CE1 3.93Å; A232-M247 CarbonylContact O-C 3.56Å; A232-M247 VanDerWaalsContact O-CA 3.32Å; A232-M247 WeakPolarHBondContact O-CA 3.46Å; A232-E248 HydrophobicContact CB-CB 4.1Å; A232-E248 PolarHBondContact N-OE2 2.89Å; A232-E248 VanDerWaalsContact N-OE2 3.16Å; A232-E248 PolarHBondContact O-N 2.96Å
233Y87.3Confident85.5Confident51 Ų5155.7 Ų55.720%0.228%0.278CS..EExtended strand (participates in β ladder)trans-82.6138.1166.1170.1-85.5000109.8V219 L222 D235 S236 I245V219-Y233 HydrophobicContact CG1-CE2 4.25Å; L222-Y233 HydrophobicContact CB-CD2 3.85Å; L222-Y233 HydrophobicContact CB-CG 4.22Å; Y233-D235 WeakPolarHBondContact CE2-O 3.38Å; Y233-D235 VanDerWaalsContact CZ-C 3.42Å; Y233-S236 WeakPolarHBondContact OH-CB 3.32Å; Y233-S236 PolarHBondContact OH-N 3.26Å; Y233-S236 PolarHBondContact OH-OG 3.01Å; Y233-I245 HydrophobicContact CD2-CG2 3.91Å; Y233-I245 HydrophobicContact CE2-CG2 3.84Å
234Y83.9Confident85.8Confident66 Ų6653.2 Ų53.226%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-110.8-53177.1-63.1-31.1000113.2V197 A232 E246 E248V197-Y234 HydrophobicContact CG1-CD2 4.06Å; V197-Y234 HydrophobicContact CG1-CE2 4Å; A232-Y234 HydrophobicContact CB-CE1 3.93Å; Y234-E246 HydrophobicContact CD2-CG 4.2Å; Y234-E246 PolarHBondContact N-O 2.5Å; Y234-E248 HydrophobicContact CE2-CB 4.29Å; Y234-E248 WeakPolarHBondContact OH-CB 3.49Å
235D84.2Confident86.1Confident67 Ų6744.3 Ų44.336%0.35823%0.225SC..EExtended strand (participates in β ladder)trans-161.1169.8-177.6-162.112.8000110.9Y233 E246Y233-D235 WeakPolarHBondContact CE2-O 3.38Å; Y233-D235 VanDerWaalsContact CZ-C 3.42Å; D235-E246 HydrophobicContact CB-CB 4.47Å; D235-E246 PolarHBondContact N-O 2.98Å; D235-E246 WeakPolarHBondContact O-CB 3.49Å; D235-E246 PolarHBondContact O-N 3.08Å
236S84.3Confident86.5Confident29 Ų2943.6 Ų43.620%0.20322%0.222CC..EExtended strand (participates in β ladder)trans-150.5148.8168.360.70000111.8V219 Y233 M244V219-S236 WeakPolarHBondContact CG1-OG 3.32Å; Y233-S236 WeakPolarHBondContact OH-CB 3.32Å; Y233-S236 PolarHBondContact OH-N 3.26Å; Y233-S236 PolarHBondContact OH-OG 3.01Å; S236-M244 CarbonylContact C-O 3.51Å; S236-M244 WeakPolarHBondContact CA-O 3.27Å; S236-M244 WeakPolarHBondContact CB-O 3.27Å
237F87.6Confident86.7Confident33 Ų3340 Ų4015%0.14521%0.205CC..EExtended strand (participates in β ladder)trans-154.3151.7-179.752.4-85.3000110.2A167 R170 Y171 M244A167-F237 HydrophobicContact CB-CE2 3.94Å; A167-F237 HydrophobicContact CB-CZ 4.37Å; R170-F237 VanDerWaalsContact NH2-CG 3.35Å; Y171-F237 HydrophobicContact CD2-CZ 4.24Å; Y171-F237 AromaticContact CE2-CE1 3.82Å; Y171-F237 HydrophobicContact CE2-CE1 3.82Å; Y171-F237 AromaticContact CE2-CZ 3.53Å; Y171-F237 HydrophobicContact CE2-CZ 3.53Å; F237-M244 HydrophobicContact CD1-CB 4.44Å; F237-M244 HydrophobicContact CD2-CB 3.91Å; F237-M244 HydrophobicContact CD2-CG 4.22Å; F237-M244 HydrophobicContact CE1-CB 4.1Å; F237-M244 HydrophobicContact CE2-CB 3.53Å; F237-M244 HydrophobicContact CE2-CG 3.7Å; F237-M244 HydrophobicContact CG-CB 4.35Å; F237-M244 HydrophobicContact CZ-CB 3.63Å; F237-M244 HydrophobicContact CZ-CG 4.17Å; F237-M244 PolarHBondContact N-O 3.36Å; F237-M244 WeakPolarHBondContact O-CB 3.11Å; F237-M244 PolarHBondContact O-N 3.28Å
238E85.1Confident86.8Confident92 Ų9239.9 Ų39.943%0.4321%0.205SC..EExtended strand (participates in β ladder)trans-106.3128.3175.8-172.8178.7153.400108.6R212 V242R212-E238 IonicContact CZ-OE1 3.8Å; R212-E238 VanDerWaalsContact NH2-CD 3.26Å; R212-E238 IonicContact NH2-OE1 2.77Å; R212-E238 PolarHBondContact NH2-OE1 3.5Å; R212-E238 IonicContact NH2-OE2 2.93Å; R212-E238 PolarHBondContact NH2-OE2 2.96Å; E238-V242 WeakPolarHBondContact CA-O 3.16Å
239E80.8Confident86.9Confident50 Ų5039 Ų3923%0.23419%0.192CC..EExtended strand (participates in β ladder)trans-138.9128.9178.6-175.5174.2177.800110.3S166 A167 G241 V242S166-E239 WeakPolarHBondContact CA-OE1 3.12Å; S166-E239 WeakPolarHBondContact CB-OE1 3.43Å; A167-E239 WeakPolarHBondContact CA-OE2 3.18Å; A167-E239 WeakPolarHBondContact CB-OE2 3.29Å; A167-E239 PolarHBondContact N-OE1 2.93Å; A167-E239 PolarHBondContact N-OE2 3.23Å; E239-G241 PolarHBondContact O-N 3.06Å; E239-V242 PolarHBondContact N-O 3.32Å; E239-V242 PolarHBondContact O-N 3.38Å
240E83.3Confident86.7Confident171 Ų17138.8 Ų38.880%0.79919%0.192SC*.THydrogen-bonded Turntrans5032.4-178.4-62.5-174.6173.600113.7Y205 V242Y205-E240 VanDerWaalsContact CE2-O 3.3Å; Y205-E240 WeakPolarHBondContact CE2-O 3.5Å; E240-V242 VanDerWaalsContact C-N 3.32Å
241G81.6Confident86.5Confident5 Ų541.5 Ų41.55%0.05221%0.206CC..THydrogen-bonded Turntrans77.810.5-177.700000115M204 E239M204-G241 WeakPolarHBondContact CA-O 3.44Å; M204-G241 WeakPolarHBondContact CB-O 3.36Å; M204-G241 WeakPolarHBondContact CG-O 3.3Å; M204-G241 PolarHBondContact N-O 3.09Å; E239-G241 PolarHBondContact O-N 3.06Å
242V86.5Confident86.2Confident43 Ų4342.4 Ų42.426%0.26122%0.22SC..EExtended strand (participates in β ladder)trans-104.1120.6170-175.30000109E201 I202 E238 E239 E240 M244E201-V242 HydrophobicContact CB-CG1 3.97Å; I202-V242 CarbonylContact O-C 3.54Å; I202-V242 WeakPolarHBondContact O-CA 3.19Å; E238-V242 WeakPolarHBondContact CA-O 3.16Å; E239-V242 PolarHBondContact N-O 3.32Å; E239-V242 PolarHBondContact O-N 3.38Å; E240-V242 VanDerWaalsContact C-N 3.32Å; V242-M244 HydrophobicContact CG1-CG 4.4Å; V242-M244 HydrophobicContact CG1-SD 3.83Å
243L86.7Confident86.3Confident6 Ų641.9 Ų41.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-79.8118.4170.1175.865.3000108.8I202 M204 A215 L216 V219 I245I202-L243 HydrophobicContact CB-CB 4.33Å; I202-L243 PolarHBondContact N-O 2.9Å; I202-L243 PolarHBondContact O-N 3.13Å; M204-L243 HydrophobicContact CE-CB 4.24Å; M204-L243 HydrophobicContact CE-CD2 4.19Å; M204-L243 HydrophobicContact CG-CB 3.73Å; M204-L243 HydrophobicContact SD-CB 3.64Å; M204-L243 HydrophobicContact SD-CD2 4.03Å; M204-L243 HydrophobicContact SD-CG 4.47Å; A215-L243 HydrophobicContact CB-CD2 4.29Å; L216-L243 HydrophobicContact CD2-CD2 4.47Å; V219-L243 HydrophobicContact CG2-CD2 4.1Å; L243-I245 HydrophobicContact CD2-CD1 4.29Å; L243-I245 HydrophobicContact CD2-CG1 4.42Å; L243-I245 HydrophobicContact CG-CG1 4.14Å
244M88.1Confident86.6Confident13 Ų1340.3 Ų40.36%0.06421%0.214CC..EExtended strand (participates in β ladder)trans-105.1116.1-179.6-60.8-70.4-93.100108.4A167 Y188 I199 K200 E201 S236 F237 V242A167-M244 HydrophobicContact CB-CE 4.31Å; Y188-M244 HydrophobicContact CE2-CE 4.47Å; I199-M244 HydrophobicContact CG2-CB 3.75Å; I199-M244 HydrophobicContact CG2-CE 3.7Å; I199-M244 HydrophobicContact CG2-CG 4.36Å; I199-M244 HydrophobicContact CG2-SD 3.84Å; K200-M244 WeakPolarHBondContact O-CA 3.43Å; E201-M244 HydrophobicContact CB-SD 3.84Å; E201-M244 HydrophobicContact CG-CE 4.06Å; E201-M244 HydrophobicContact CG-SD 3.56Å; E201-M244 VanDerWaalsContact CG-SD 3.56Å; S236-M244 CarbonylContact C-O 3.51Å; S236-M244 WeakPolarHBondContact CA-O 3.27Å; S236-M244 WeakPolarHBondContact CB-O 3.27Å; F237-M244 HydrophobicContact CD1-CB 4.44Å; F237-M244 HydrophobicContact CD2-CB 3.91Å; F237-M244 HydrophobicContact CD2-CG 4.22Å; F237-M244 HydrophobicContact CE1-CB 4.1Å; F237-M244 HydrophobicContact CE2-CB 3.53Å; F237-M244 HydrophobicContact CE2-CG 3.7Å; F237-M244 HydrophobicContact CG-CB 4.35Å; F237-M244 HydrophobicContact CZ-CB 3.63Å; F237-M244 HydrophobicContact CZ-CG 4.17Å; F237-M244 PolarHBondContact N-O 3.36Å; F237-M244 WeakPolarHBondContact O-CB 3.11Å; F237-M244 PolarHBondContact O-N 3.28Å; V242-M244 HydrophobicContact CG1-CG 4.4Å; V242-M244 HydrophobicContact CG1-SD 3.83Å
245I87.3Confident87.1Confident0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-111.3116178.1-53.4175.2000108.8I199 K200 I202 V219 L222 Y233 L243 M247I199-I245 CarbonylContact C-O 3.57Å; I199-I245 VanDerWaalsContact CA-O 3.3Å; I199-I245 WeakPolarHBondContact CA-O 3.48Å; K200-I245 HydrophobicContact CB-CB 4.3Å; K200-I245 PolarHBondContact N-O 2.82Å; K200-I245 PolarHBondContact O-N 3.19Å; I202-I245 HydrophobicContact CD1-CD1 4.01Å; V219-I245 HydrophobicContact CG2-CD1 3.51Å; V219-I245 HydrophobicContact CG2-CG1 3.78Å; L222-I245 HydrophobicContact CD1-CG2 4.29Å; Y233-I245 HydrophobicContact CD2-CG2 3.91Å; Y233-I245 HydrophobicContact CE2-CG2 3.84Å; L243-I245 HydrophobicContact CD2-CD1 4.29Å; L243-I245 HydrophobicContact CD2-CG1 4.42Å; L243-I245 HydrophobicContact CG-CG1 4.14Å; I245-M247 HydrophobicContact CG2-CG 4.18Å
246E89.6Confident87.5Confident3 Ų335.4 Ų35.41%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-92.1131.2-177.1-171.4179.5-157.900112.4Y171 R190 V197 I199 Y234 D235Y171-E246 VanDerWaalsContact CE1-OE1 3.24Å; Y171-E246 WeakPolarHBondContact CE1-OE1 3.3Å; Y171-E246 PolarHBondContact OH-OE2 3.03Å; Y171-E246 VanDerWaalsContact OH-OE2 3.05Å; R190-E246 IonicContact CZ-OE1 2.81Å; R190-E246 IonicContact CZ-OE2 3.68Å; R190-E246 IonicContact NE-OE1 3.21Å; R190-E246 PolarHBondContact NE-OE1 2.81Å; R190-E246 IonicContact NE-OE2 3.79Å; R190-E246 IonicContact NH2-OE1 2.85Å; R190-E246 PolarHBondContact NH2-OE1 2.97Å; R190-E246 IonicContact NH2-OE2 2.58Å; R190-E246 PolarHBondContact NH2-OE2 3.42Å; V197-E246 HydrophobicContact CB-CG 4.13Å; V197-E246 HydrophobicContact CG1-CG 4.47Å; V197-E246 HydrophobicContact CG2-CG 4.26Å; V197-E246 WeakPolarHBondContact CG2-OE1 3.36Å; I199-E246 HydrophobicContact CG1-CB 4.45Å; I199-E246 HydrophobicContact CG1-CG 4.3Å; Y234-E246 HydrophobicContact CD2-CG 4.2Å; Y234-E246 PolarHBondContact N-O 2.5Å; D235-E246 HydrophobicContact CB-CB 4.47Å; D235-E246 PolarHBondContact N-O 2.98Å; D235-E246 WeakPolarHBondContact O-CB 3.49Å; D235-E246 PolarHBondContact O-N 3.08Å
247M88.3Confident87.8Confident35 Ų3538.4 Ų38.417%0.17221%0.206CC..EExtended strand (participates in β ladder)trans-141.9163.3-171.5-49.9-174.5-49.200112.6I198 I231 A232 I245I198-M247 HydrophobicContact CB-CE 4.36Å; I198-M247 HydrophobicContact CG2-CE 3.84Å; I198-M247 PolarHBondContact N-O 3.04Å; I198-M247 PolarHBondContact O-N 2.9Å; I231-M247 HydrophobicContact CG2-CB 4.05Å; A232-M247 CarbonylContact O-C 3.56Å; A232-M247 VanDerWaalsContact O-CA 3.32Å; A232-M247 WeakPolarHBondContact O-CA 3.46Å; I245-M247 HydrophobicContact CG2-CG 4.18Å
248E88.2Confident88.1Confident28 Ų2838.7 Ų38.713%0.13121%0.209CC..EExtended strand (participates in β ladder)trans-59.3138.3172.5-178.2176-15500112.5I231 A232 Y234 K309I231-E248 HydrophobicContact CG2-CB 4.18Å; A232-E248 HydrophobicContact CB-CB 4.1Å; A232-E248 PolarHBondContact N-OE2 2.89Å; A232-E248 VanDerWaalsContact N-OE2 3.16Å; A232-E248 PolarHBondContact O-N 2.96Å; Y234-E248 HydrophobicContact CE2-CB 4.29Å; Y234-E248 WeakPolarHBondContact OH-CB 3.49Å; E248-K309 WeakPolarHBondContact OE1-CE 3.24Å; E248-K309 IonicContact OE1-NZ 3.46Å; E248-K309 PolarHBondContact OE1-NZ 2.85Å; E248-K309 WeakPolarHBondContact OE2-CD 3.47Å; E248-K309 WeakPolarHBondContact OE2-CE 3.39Å; E248-K309 IonicContact OE2-NZ 2.77Å; E248-K309 PolarHBondContact OE2-NZ 3.3Å
249Y89.5Confident88.5Confident62 Ų6235 Ų3524%0.24319%0.192CC..  trans-96.7114.8170.9175.2-119.1000110.7L187 L196 I198 D251L187-Y249 HydrophobicContact CD1-CD1 3.99Å; L187-Y249 HydrophobicContact CD1-CD2 3.69Å; L187-Y249 HydrophobicContact CD1-CE1 4.22Å; L187-Y249 HydrophobicContact CD1-CE2 3.91Å; L187-Y249 HydrophobicContact CD1-CG 3.71Å; L196-Y249 HydrophobicContact CB-CD1 3.86Å; L196-Y249 HydrophobicContact CB-CG 4.46Å; L196-Y249 HydrophobicContact CD1-CD1 4.16Å; L196-Y249 HydrophobicContact CD1-CE1 4.08Å; I198-Y249 HydrophobicContact CD1-CD2 3.6Å; I198-Y249 HydrophobicContact CD1-CE2 4.26Å; I198-Y249 HydrophobicContact CD1-CG 4.42Å; I198-Y249 HydrophobicContact CG1-CD2 3.85Å; I198-Y249 HydrophobicContact CG1-CG 4.48Å; Y249-D251 HydrophobicContact CD1-CB 4.23Å; Y249-D251 HydrophobicContact CE1-CB 3.77Å
250A88Confident88.9Confident9 Ų937.2 Ų37.27%0.07421%0.213CC..  trans-86.8117.5170.600000110.3I231 F301I231-A250 HydrophobicContact CD1-CB 3.95Å; A250-F301 HydrophobicContact CB-CB 3.55Å; A250-F301 HydrophobicContact CB-CG 4.32Å
251D87Confident89.2Confident60 Ų6038.3 Ų38.332%0.32121%0.21SC..THydrogen-bonded Turntrans-93.4-0.9-164.668.3-20.4000115.4Y249 T303 R304Y249-D251 HydrophobicContact CD1-CB 4.23Å; Y249-D251 HydrophobicContact CE1-CB 3.77Å; D251-T303 WeakPolarHBondContact OD1-CA 3.38Å; D251-R304 PolarHBondContact OD1-N 2.94Å; D251-R304 WeakPolarHBondContact OD2-CD 3.19Å; D251-R304 VanDerWaalsContact OD2-CG 3.29Å; D251-R304 WeakPolarHBondContact OD2-CG 3.41Å; D251-R304 IonicContact OD2-NE 3.04Å; D251-R304 PolarHBondContact OD2-NE 3.17Å
252G85.6Confident89.5Confident37 Ų3739.8 Ų39.838%0.38122%0.218SC..THydrogen-bonded Turntrans-92-3.1176.100000114.5L302G252-L302 CarbonylContact C-O 3.55Å; G252-L302 WeakPolarHBondContact CA-O 3.46Å; G252-L302 PolarHBondContact N-O 3.01Å
253G90.2Very high89.2Confident19 Ų1946.5 Ų46.520%0.19625%0.246CC..EExtended strand (participates in β ladder)trans85.1-158-176.800000112.7F301 L302G253-F301 WeakPolarHBondContact O-CA 3.42Å; G253-L302 PolarHBondContact O-N 3.29Å
254T92.6Very high89.1Confident19 Ų1952.5 Ų52.512%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-105.7155.9178.360.30000111.6A256 Q257 M258 A298 V300 F301T254-A256 PolarHBondContact O-N 2.69Å; T254-Q257 VanDerWaalsContact N-OE1 3.09Å; T254-Q257 WeakPolarHBondContact O-CB 3.36Å; T254-Q257 PolarHBondContact O-N 2.97Å; T254-Q257 VanDerWaalsContact OG1-CG 3.3Å; T254-Q257 WeakPolarHBondContact OG1-CG 3.44Å; T254-Q257 PolarHBondContact OG1-N 3.02Å; T254-M258 PolarHBondContact O-N 3.03Å; T254-A298 WeakPolarHBondContact CG2-O 3.42Å; T254-V300 CarbonylContact C-O 3.56Å; T254-V300 WeakPolarHBondContact CA-O 3.34Å; T254-F301 HydrophobicContact CG2-CD1 3.8Å; T254-F301 HydrophobicContact CG2-CE1 3.79Å
255L94.6Very high89.1Confident1 Ų155.3 Ų55.31%0.00529%0.293CS..Hα-helixtrans-58.1-35.6172.8179.860.5000111.2Q257 M258 L259 M274 T297 V300 I360 M364L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.87Å; L255-M258 HydrophobicContact CD1-CE 3.51Å; L255-M258 HydrophobicContact CD1-SD 4.23Å; L255-M258 WeakPolarHBondContact O-CB 3.14Å; L255-M258 PolarHBondContact O-N 3.2Å; L255-L259 HydrophobicContact CD1-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CG 4.08Å; L255-L259 HydrophobicContact CG-CD1 3.94Å; L255-L259 HydrophobicContact CG-CG 4.3Å; L255-L259 VanDerWaalsContact O-CG 3.31Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 3.4Å; L255-M274 HydrophobicContact CD1-SD 4.21Å; L255-T297 WeakPolarHBondContact CB-O 3.34Å; L255-T297 HydrophobicContact CD2-CG2 4.02Å; L255-T297 HydrophobicContact CG-CG2 4.21Å; L255-T297 PolarHBondContact N-O 2.97Å; L255-V300 HydrophobicContact CB-CB 3.93Å; L255-V300 HydrophobicContact CB-CG1 3.95Å; L255-V300 HydrophobicContact CD2-CB 4.26Å; L255-V300 HydrophobicContact CD2-CG1 4.04Å; L255-V300 PolarHBondContact N-O 3.31Å; L255-I360 HydrophobicContact CD2-CG2 3.72Å; L255-M364 HydrophobicContact CD1-CG 4.34Å; L255-M364 HydrophobicContact CD1-SD 4.1Å; L255-M364 HydrophobicContact CD2-CG 4.19Å; L255-M364 HydrophobicContact CD2-SD 3.86Å
256A92.5Very high89.2Confident29 Ų2956.2 Ų56.224%0.2430%0.298CS..Hα-helixtrans-58.2-43.4172.900000112.4T254 S260 T297 A298T254-A256 PolarHBondContact O-N 2.69Å; A256-S260 WeakPolarHBondContact O-CB 3.44Å; A256-S260 PolarHBondContact O-N 2.93Å; A256-S260 PolarHBondContact O-OG 3.37Å; A256-T297 WeakPolarHBondContact CB-OG1 3.13Å; A256-T297 PolarHBondContact N-O 2.97Å; A256-A298 HydrophobicContact CB-CB 4.21Å
257Q91.6Very high89.2Confident91 Ų9162 Ų6243%0.42533%0.329SS..Hα-helixtrans-67.2-39.5176.6-72165.7-8.800111.6T254 L255 S260 R261T254-Q257 VanDerWaalsContact N-OE1 3.09Å; T254-Q257 WeakPolarHBondContact O-CB 3.36Å; T254-Q257 PolarHBondContact O-N 2.97Å; T254-Q257 VanDerWaalsContact OG1-CG 3.3Å; T254-Q257 WeakPolarHBondContact OG1-CG 3.44Å; T254-Q257 PolarHBondContact OG1-N 3.02Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.87Å; Q257-S260 PolarHBondContact O-OG 3.29Å; Q257-R261 WeakPolarHBondContact O-CG 3.35Å; Q257-R261 PolarHBondContact O-N 3.44Å
258M93.3Very high89.4Confident40 Ų4063.2 Ų63.220%0.19733%0.334CS..Hα-helixtrans-60-54.5175.2-171.3-16989.600110.8T254 L255 S260 R261 T262 L266 M274 L302T254-M258 PolarHBondContact O-N 3.03Å; L255-M258 HydrophobicContact CD1-CE 3.51Å; L255-M258 HydrophobicContact CD1-SD 4.23Å; L255-M258 WeakPolarHBondContact O-CB 3.14Å; L255-M258 PolarHBondContact O-N 3.2Å; M258-S260 VanDerWaalsContact C-N 3.29Å; M258-S260 PolarHBondContact O-N 2.96Å; M258-R261 PolarHBondContact O-N 2.95Å; M258-T262 PolarHBondContact O-N 2.7Å; M258-T262 VanDerWaalsContact O-N 3.14Å; M258-T262 PolarHBondContact O-OG1 3.07Å; M258-L266 HydrophobicContact CE-CD1 3.59Å; M258-L266 HydrophobicContact CE-CD2 4.26Å; M258-M274 HydrophobicContact CE-CE 4.09Å; M258-M274 HydrophobicContact CE-SD 4.23Å; M258-L302 HydrophobicContact CB-CD1 3.97Å; M258-L302 HydrophobicContact CG-CD1 4.3Å; M258-L302 HydrophobicContact SD-CD1 3.66Å
259L92.9Very high89.4Confident14 Ų1469.3 Ų69.37%0.07336%0.363CS..Hα-helixtrans-60.6-36.8-178.9-66.1171.1000112.5L255 R261 T262 L266 T297 E363 M364 L367L255-L259 HydrophobicContact CD1-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CG 4.08Å; L255-L259 HydrophobicContact CG-CD1 3.94Å; L255-L259 HydrophobicContact CG-CG 4.3Å; L255-L259 VanDerWaalsContact O-CG 3.31Å; L255-L259 WeakPolarHBondContact O-CG 3.36Å; L255-L259 PolarHBondContact O-N 3.4Å; L259-R261 PolarHBondContact O-N 2.58Å; L259-T262 PolarHBondContact O-N 2.88Å; L259-L266 HydrophobicContact CD2-CD1 3.81Å; L259-T297 HydrophobicContact CD1-CG2 3.83Å; L259-E363 HydrophobicContact CD1-CG 3.97Å; L259-M364 HydrophobicContact CD1-CG 4.32Å; L259-M364 HydrophobicContact CD2-CG 4.25Å; L259-L367 HydrophobicContact CD2-CD2 3.76Å
260S89.3Confident89.5Confident96 Ų9670.4 Ų70.467%0.67137%0.37SS*.Hα-helixtrans-64.7-21.7176.3730000114.4A256 Q257 M258A256-S260 WeakPolarHBondContact O-CB 3.44Å; A256-S260 PolarHBondContact O-N 2.93Å; A256-S260 PolarHBondContact O-OG 3.37Å; Q257-S260 PolarHBondContact O-OG 3.29Å; M258-S260 VanDerWaalsContact C-N 3.29Å; M258-S260 PolarHBondContact O-N 2.96Å
261R89.1Confident89.7Confident194 Ų19470 Ų7073%0.73237%0.367SS*.Hα-helixtrans-97.9-18.6179.9-66.6171.9-176.9171.92.1112.5Q257 M258 L259Q257-R261 WeakPolarHBondContact O-CG 3.35Å; Q257-R261 PolarHBondContact O-N 3.44Å; M258-R261 PolarHBondContact O-N 2.95Å; L259-R261 PolarHBondContact O-N 2.58Å
262T88.3Confident90Very high37 Ų3767.5 Ų67.523%0.22736%0.356CS..  trans-74.6123.4-178.3-62.90000110.6M258 L259 N264 L266 L367M258-T262 PolarHBondContact O-N 2.7Å; M258-T262 VanDerWaalsContact O-N 3.14Å; M258-T262 PolarHBondContact O-OG1 3.07Å; L259-T262 PolarHBondContact O-N 2.88Å; T262-N264 WeakPolarHBondContact CG2-O 3.46Å; T262-L266 HydrophobicContact CG2-CD2 3.75Å; T262-L266 HydrophobicContact CG2-CG 4.19Å; T262-L367 HydrophobicContact CG2-CD1 3.91Å; T262-L367 HydrophobicContact CG2-CD2 3.94Å
263Q80.1Confident90.3Very high184 Ų18469.9 Ų69.986%0.8636%0.36SS*.  trans-98.8-28.4177.6-67-175-15.300113.4
264N85.7Confident90.5Very high131 Ų13169.5 Ų69.570%0.70135%0.353SS*.SBendtrans-108.9152.3-178.9-63.3-35.9000110.3T262 L266T262-N264 WeakPolarHBondContact CG2-O 3.46Å; N264-L266 PolarHBondContact O-N 3.03Å
265L87.4Confident90.7Very high73 Ų7368.6 Ų68.638%0.38235%0.347SS..PPolyproline II helixtrans-53.4136.8174.5-63.2-177.4000111.1C365 L367 Y395L265-C365 WeakPolarHBondContact CD2-O 3.38Å; L265-L367 HydrophobicContact CD2-CD1 4.39Å; L265-L367 HydrophobicContact CD2-CG 4.42Å; L265-Y395 HydrophobicContact CD1-CE2 4.48Å
266L89.3Confident90.7Very high18 Ų1869.8 Ų69.89%0.09435%0.353CS..PPolyproline II helixtrans-73.1148.2178.1-63.4173.6000110.6M258 L259 T262 N264 I271 M274 M364 Y395M258-L266 HydrophobicContact CE-CD1 3.59Å; M258-L266 HydrophobicContact CE-CD2 4.26Å; L259-L266 HydrophobicContact CD2-CD1 3.81Å; T262-L266 HydrophobicContact CG2-CD2 3.75Å; T262-L266 HydrophobicContact CG2-CG 4.19Å; N264-L266 PolarHBondContact O-N 3.03Å; L266-I271 HydrophobicContact CB-CD1 3.94Å; L266-I271 HydrophobicContact CB-CG1 3.85Å; L266-I271 HydrophobicContact CD1-CG1 4.43Å; L266-M274 HydrophobicContact CD1-CE 4.43Å; L266-M364 HydrophobicContact CD1-CB 4.39Å; L266-Y395 PolarHBondContact N-OH 3.29Å; L266-Y395 VanDerWaalsContact O-CE1 3.25Å; L266-Y395 WeakPolarHBondContact O-CE1 3.44Å; L266-Y395 PolarHBondContact O-OH 2.83Å
267D89.5Confident90.7Very high124 Ų12469.9 Ų69.966%0.66335%0.349SS*.PPolyproline II helixtrans-65.8139.9175.7-71.4-36.8000111.3E269 Q270 I271D267-E269 VanDerWaalsContact C-N 3.3Å; D267-E269 PolarHBondContact O-N 2.98Å; D267-Q270 HydrophobicContact CB-CB 4.49Å; D267-Q270 WeakPolarHBondContact O-CB 3.4Å; D267-Q270 PolarHBondContact O-N 3.26Å; D267-I271 WeakPolarHBondContact O-CG1 3.43Å; D267-I271 PolarHBondContact O-N 3.31Å; D267-I271 VanDerWaalsContact O-N 3.09Å
268E91.8Very high90.9Very high61 Ų6165.5 Ų65.529%0.28533%0.328SS..Hα-helixtrans-60.7-37.4-175.9-171.1175.2149.500113.1I271 G272 Y395 S396 M399E268-I271 PolarHBondContact O-N 2.98Å; E268-G272 PolarHBondContact O-N 2.77Å; E268-Y395 HydrophobicContact CB-CD1 4.06Å; E268-Y395 HydrophobicContact CB-CE1 4.5Å; E268-Y395 HydrophobicContact CG-CD1 4.27Å; E268-Y395 WeakPolarHBondContact OE2-CA 3.42Å; E268-S396 WeakPolarHBondContact OE1-CB 3.26Å; E268-S396 PolarHBondContact OE1-OG 3.31Å; E268-S396 WeakPolarHBondContact OE2-CB 3.48Å; E268-S396 PolarHBondContact OE2-N 3.23Å; E268-S396 PolarHBondContact OE2-OG 3Å; E268-M399 HydrophobicContact CG-CB 4.43Å; E268-M399 HydrophobicContact CG-CE 3.61Å; E268-M399 HydrophobicContact CG-CG 4.47Å
269E88.7Confident91Very high156 Ų15663.6 Ų63.673%0.72932%0.319SS*.Hα-helixtrans-60.7-45.9177.2-174175.7-171.100111D267 I271 G272 D273D267-E269 VanDerWaalsContact C-N 3.3Å; D267-E269 PolarHBondContact O-N 2.98Å; E269-I271 PolarHBondContact O-N 3.21Å; E269-G272 PolarHBondContact O-N 3.46Å; E269-D273 PolarHBondContact O-N 2.78Å
270Q91.1Very high91.1Very high85 Ų8564.8 Ų64.840%0.39733%0.329SS..Hα-helixtrans-62.6-43.3177.5-164-169.715.500111.6D267 M274D267-Q270 HydrophobicContact CB-CB 4.49Å; D267-Q270 WeakPolarHBondContact O-CB 3.4Å; D267-Q270 PolarHBondContact O-N 3.26Å; Q270-M274 HydrophobicContact CG-CE 4.12Å; Q270-M274 WeakPolarHBondContact O-CE 3.23Å; Q270-M274 WeakPolarHBondContact O-CG 3.32Å; Q270-M274 PolarHBondContact O-N 3.34Å; Q270-M274 VanDerWaalsContact O-N 3.15Å
271I94Very high91.3Very high0 Ų060.2 Ų60.20%030%0.297CS..Hα-helixtrans-61.3-46.3175.3-64.8177.3000110.3L266 D267 E268 E269 M274 M275 L361 M364 Y395 M399L266-I271 HydrophobicContact CB-CD1 3.94Å; L266-I271 HydrophobicContact CB-CG1 3.85Å; L266-I271 HydrophobicContact CD1-CG1 4.43Å; D267-I271 WeakPolarHBondContact O-CG1 3.43Å; D267-I271 PolarHBondContact O-N 3.31Å; D267-I271 VanDerWaalsContact O-N 3.09Å; E268-I271 PolarHBondContact O-N 2.98Å; E269-I271 PolarHBondContact O-N 3.21Å; I271-M274 PolarHBondContact O-N 3.13Å; I271-M275 HydrophobicContact CG2-CG 4.47Å; I271-M275 WeakPolarHBondContact O-CB 3.36Å; I271-M275 WeakPolarHBondContact O-CG 3.5Å; I271-M275 PolarHBondContact O-N 3.18Å; I271-L361 HydrophobicContact CG2-CD1 3.33Å; I271-M364 HydrophobicContact CD1-CB 4.4Å; I271-M364 HydrophobicContact CG1-CB 4.29Å; I271-M364 HydrophobicContact CG2-CB 4.33Å; I271-M364 HydrophobicContact CG2-CE 4.05Å; I271-Y395 HydrophobicContact CD1-CD1 4.36Å; I271-Y395 HydrophobicContact CD1-CE1 3.49Å; I271-Y395 VanDerWaalsContact CD1-CE1 3.49Å; I271-M399 HydrophobicContact CB-CE 4.44Å; I271-M399 HydrophobicContact CG2-CE 3.99Å; I271-M399 HydrophobicContact CG2-SD 4.33Å
272G93Very high91.6Very high9 Ų951 Ų519%0.09326%0.262CS..Hα-helixtrans-58.3-48.2178.900000112.3E268 E269 M274 M275 I276E268-G272 PolarHBondContact O-N 2.77Å; E269-G272 PolarHBondContact O-N 3.46Å; G272-M274 PolarHBondContact O-N 3.04Å; G272-M275 PolarHBondContact O-N 2.67Å; G272-I276 WeakPolarHBondContact O-CB 3.14Å; G272-I276 VanDerWaalsContact O-CG1 3.25Å; G272-I276 WeakPolarHBondContact O-CG1 3.36Å; G272-I276 PolarHBondContact O-N 3.08Å
273D91Very high91.8Very high87 Ų8750 Ų5047%0.46526%0.258SS..Hα-helixtrans-62.2-44.1178.7-79.1-17000112.6E269 I276 Q277E269-D273 PolarHBondContact O-N 2.78Å; D273-I276 PolarHBondContact O-N 3.41Å; D273-Q277 WeakPolarHBondContact O-CG 3.36Å; D273-Q277 PolarHBondContact O-N 3.4Å; D273-Q277 VanDerWaalsContact O-N 3.12Å
274M94.4Very high92.4Very high11 Ų1142.5 Ų42.55%0.05422%0.222CC..Hα-helixtrans-62.9-43.1175.6-71.6-173.5-70.500111.3L255 M258 L266 Q270 I271 G272 Q277 M278 V308 M364L255-M274 HydrophobicContact CD1-SD 4.21Å; M258-M274 HydrophobicContact CE-CE 4.09Å; M258-M274 HydrophobicContact CE-SD 4.23Å; L266-M274 HydrophobicContact CD1-CE 4.43Å; Q270-M274 HydrophobicContact CG-CE 4.12Å; Q270-M274 WeakPolarHBondContact O-CE 3.23Å; Q270-M274 WeakPolarHBondContact O-CG 3.32Å; Q270-M274 PolarHBondContact O-N 3.34Å; Q270-M274 VanDerWaalsContact O-N 3.15Å; I271-M274 PolarHBondContact O-N 3.13Å; G272-M274 PolarHBondContact O-N 3.04Å; M274-Q277 PolarHBondContact O-N 3.15Å; M274-M278 HydrophobicContact CB-CE 4.25Å; M274-M278 WeakPolarHBondContact O-CE 3.29Å; M274-M278 WeakPolarHBondContact O-CG 3.49Å; M274-M278 PolarHBondContact O-N 3.19Å; M274-V308 HydrophobicContact CB-CG2 3.91Å; M274-V308 HydrophobicContact CG-CG2 3.81Å; M274-M364 HydrophobicContact CB-SD 4.4Å; M274-M364 HydrophobicContact CE-SD 3.68Å; M274-M364 HydrophobicContact SD-SD 4.3Å
275M96.2Very high92.6Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-64.3-41176.9-77.6-57.2-60.600113I271 G272 Q277 M278 C279 L357 L361 M364 L406 L424I271-M275 HydrophobicContact CG2-CG 4.47Å; I271-M275 WeakPolarHBondContact O-CB 3.36Å; I271-M275 WeakPolarHBondContact O-CG 3.5Å; I271-M275 PolarHBondContact O-N 3.18Å; G272-M275 PolarHBondContact O-N 2.67Å; M275-Q277 VanDerWaalsContact C-N 3.31Å; M275-Q277 PolarHBondContact O-N 3.37Å; M275-M278 HydrophobicContact CG-CE 4.34Å; M275-M278 PolarHBondContact O-N 3.33Å; M275-M278 HydrophobicContact SD-CE 3.5Å; M275-M278 VanDerWaalsContact SD-CE 3.5Å; M275-C279 WeakPolarHBondContact O-CB 3.34Å; M275-C279 PolarHBondContact O-N 2.92Å; M275-C279 PolarHBondContact O-SG 3.27Å; M275-L357 HydrophobicContact CE-CB 4.33Å; M275-L361 HydrophobicContact CE-CB 3.97Å; M275-L361 HydrophobicContact CE-CD2 4.09Å; M275-L361 HydrophobicContact CE-CG 4.43Å; M275-L361 HydrophobicContact CG-CB 4.42Å; M275-L361 HydrophobicContact CG-CD1 3.49Å; M275-L361 VanDerWaalsContact CG-CD1 3.49Å; M275-L361 HydrophobicContact CG-CD2 4.32Å; M275-L361 HydrophobicContact CG-CG 4.25Å; M275-L361 HydrophobicContact SD-CB 3.72Å; M275-L361 HydrophobicContact SD-CD1 3.93Å; M275-L361 HydrophobicContact SD-CD2 4.43Å; M275-L361 HydrophobicContact SD-CG 4.2Å; M275-M364 HydrophobicContact CG-CE 3.62Å; M275-M364 HydrophobicContact SD-CE 3.44Å; M275-M364 WeakPolarHBondContact SD-CE 3.47Å; M275-L406 HydrophobicContact CE-CD1 4.39Å; M275-L424 HydrophobicContact CB-CD1 3.65Å; M275-L424 HydrophobicContact CB-CD2 4.13Å
276I94.7Very high92.7Very high25 Ų2534.5 Ų34.513%0.12818%0.178CC..Hα-helixtrans-59.9-44.9176.7-74165.3000110.2G272 D273 S280 L421 L424 R425G272-I276 WeakPolarHBondContact O-CB 3.14Å; G272-I276 VanDerWaalsContact O-CG1 3.25Å; G272-I276 WeakPolarHBondContact O-CG1 3.36Å; G272-I276 PolarHBondContact O-N 3.08Å; D273-I276 PolarHBondContact O-N 3.41Å; I276-S280 WeakPolarHBondContact O-CB 3.1Å; I276-S280 PolarHBondContact O-N 2.7Å; I276-L421 HydrophobicContact CB-CD2 4.36Å; I276-L421 HydrophobicContact CG2-CD2 4.04Å; I276-L421 WeakPolarHBondContact O-CD2 3.45Å; I276-L424 HydrophobicContact CG1-CB 3.97Å; I276-L424 HydrophobicContact CG1-CD1 4.49Å; I276-R425 HydrophobicContact CD1-CG 3.74Å; I276-R425 HydrophobicContact CG1-CG 4.23Å
277Q93.1Very high92.6Very high31 Ų3140.3 Ų40.315%0.14520%0.204CC..Hα-helixtrans-64.5-42.5177.8-70.8-17965.500112.4N229 D273 M274 M275 S280 A281 V308N229-Q277 PolarHBondContact ND2-OE1 3.18Å; D273-Q277 WeakPolarHBondContact O-CG 3.36Å; D273-Q277 PolarHBondContact O-N 3.4Å; D273-Q277 VanDerWaalsContact O-N 3.12Å; M274-Q277 PolarHBondContact O-N 3.15Å; M275-Q277 VanDerWaalsContact C-N 3.31Å; M275-Q277 PolarHBondContact O-N 3.37Å; Q277-S280 PolarHBondContact O-N 3.15Å; Q277-A281 PolarHBondContact O-N 3Å; Q277-A281 VanDerWaalsContact O-N 3.13Å; Q277-V308 HydrophobicContact CB-CB 3.91Å; Q277-V308 HydrophobicContact CB-CG2 4.26Å
278M96.2Very high92.3Very high0 Ų037.3 Ų37.30%019%0.188CC..Hα-helixtrans-64.2-47.3175.8-72.7-173.5-80.600112.2M274 M275 S280 A281 V282 V300 V308 I310 L357 I360 M364M274-M278 HydrophobicContact CB-CE 4.25Å; M274-M278 WeakPolarHBondContact O-CE 3.29Å; M274-M278 WeakPolarHBondContact O-CG 3.49Å; M274-M278 PolarHBondContact O-N 3.19Å; M275-M278 HydrophobicContact CG-CE 4.34Å; M275-M278 PolarHBondContact O-N 3.33Å; M275-M278 HydrophobicContact SD-CE 3.5Å; M275-M278 VanDerWaalsContact SD-CE 3.5Å; M278-S280 VanDerWaalsContact C-N 3.28Å; M278-S280 PolarHBondContact O-N 2.65Å; M278-A281 PolarHBondContact O-N 3.24Å; M278-V282 WeakPolarHBondContact O-CG2 3.39Å; M278-V282 PolarHBondContact O-N 2.96Å; M278-V300 HydrophobicContact CG-CG1 4.36Å; M278-V300 HydrophobicContact SD-CB 4.48Å; M278-V300 HydrophobicContact SD-CG1 3.81Å; M278-V300 HydrophobicContact SD-CG2 3.81Å; M278-V308 HydrophobicContact CG-CG1 3.6Å; M278-V308 HydrophobicContact SD-CG1 4.46Å; M278-I310 HydrophobicContact CB-CD1 4.37Å; M278-L357 HydrophobicContact CB-CD2 3.95Å; M278-L357 HydrophobicContact SD-CD2 4.29Å; M278-I360 HydrophobicContact CE-CG2 4Å; M278-I360 HydrophobicContact SD-CG2 4.07Å; M278-M364 HydrophobicContact CE-CE 3.68Å; M278-M364 HydrophobicContact CE-SD 4.27Å
279C95.9Very high91.8Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-63.6-33.5177.5-69.10000111.8M275 A283 L421M275-C279 WeakPolarHBondContact O-CB 3.34Å; M275-C279 PolarHBondContact O-N 2.92Å; M275-C279 PolarHBondContact O-SG 3.27Å; C279-A283 WeakPolarHBondContact O-CB 3.38Å; C279-A283 PolarHBondContact O-N 3.36Å; C279-L421 HydrophobicContact CB-CD1 4.45Å; C279-L421 HydrophobicContact CB-CD2 3.6Å; C279-L421 HydrophobicContact CB-CG 3.66Å
280S94.4Very high91.4Very high39 Ų3933.2 Ų33.227%0.27318%0.183SC..Hα-helixtrans-62.6-47.4173-168.90000111.8H227 I276 Q277 M278 A283 Y284H227-S280 PolarHBondContact CE1-OG 3.28Å; H227-S280 PolarHBondContact NE2-OG 3Å; H227-S280 VanDerWaalsContact NE2-OG 3.14Å; I276-S280 WeakPolarHBondContact O-CB 3.1Å; I276-S280 PolarHBondContact O-N 2.7Å; Q277-S280 PolarHBondContact O-N 3.15Å; M278-S280 VanDerWaalsContact C-N 3.28Å; M278-S280 PolarHBondContact O-N 2.65Å; S280-A283 PolarHBondContact O-N 3.39Å; S280-Y284 PolarHBondContact O-N 2.86Å; S280-Y284 VanDerWaalsContact O-N 3.09Å
281A93.6Very high91Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-62-45.2176.500000112.3H227 N229 I230 Q277 M278 Y284 L285 I310H227-A281 PolarHBondContact CE1-N 3.3Å; N229-A281 HydrophobicContact CB-CB 3.95Å; N229-A281 WeakPolarHBondContact O-CB 3.38Å; I230-A281 HydrophobicContact CD1-CB 4.2Å; I230-A281 HydrophobicContact CG1-CB 3.68Å; Q277-A281 PolarHBondContact O-N 3Å; Q277-A281 VanDerWaalsContact O-N 3.13Å; M278-A281 PolarHBondContact O-N 3.24Å; A281-Y284 WeakPolarHBondContact O-CB 3.35Å; A281-Y284 PolarHBondContact O-N 3.49Å; A281-L285 WeakPolarHBondContact O-CG 3.41Å; A281-L285 PolarHBondContact O-N 2.9Å; A281-I310 HydrophobicContact CB-CB 4.47Å; A281-I310 HydrophobicContact CB-CD1 3.6Å; A281-I310 HydrophobicContact CB-CG1 4.02Å
282V94.3Very high90.6Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-67.1-38.9179.51740000111.6M278 Y284 L285 H286 L295 I310 D353 M354 L357 A417M278-V282 WeakPolarHBondContact O-CG2 3.39Å; M278-V282 PolarHBondContact O-N 2.96Å; V282-Y284 VanDerWaalsContact C-N 3.33Å; V282-Y284 PolarHBondContact O-N 3.37Å; V282-L285 PolarHBondContact O-N 3.24Å; V282-H286 WeakPolarHBondContact CG1-CE1 3.39Å; V282-H286 WeakPolarHBondContact CG1-NE2 3.42Å; V282-H286 WeakPolarHBondContact O-CB 3.41Å; V282-H286 PolarHBondContact O-N 2.97Å; V282-L295 HydrophobicContact CG2-CD1 3.8Å; V282-I310 HydrophobicContact CG2-CD1 3.69Å; V282-D353 HydrophobicContact CG1-CB 4.36Å; V282-M354 HydrophobicContact CG1-SD 4.1Å; V282-L357 HydrophobicContact CB-CD1 4.2Å; V282-L357 HydrophobicContact CG1-CD1 4.29Å; V282-L357 HydrophobicContact CG2-CD1 3.99Å; V282-L357 HydrophobicContact CG2-CD2 4.49Å; V282-A417 HydrophobicContact CB-CB 4.38Å; V282-A417 HydrophobicContact CG1-CB 4.11Å
283A94.2Very high90Very high17 Ų1734.8 Ų34.814%0.1419%0.185CC..Hα-helixtrans-58.5-45173.400000111.7C279 S280 H286 E287 A417 P418C279-A283 WeakPolarHBondContact O-CB 3.38Å; C279-A283 PolarHBondContact O-N 3.36Å; S280-A283 PolarHBondContact O-N 3.39Å; A283-H286 PolarHBondContact O-N 2.94Å; A283-E287 WeakPolarHBondContact O-CB 3.32Å; A283-E287 PolarHBondContact O-N 3.41Å; A283-A417 HydrophobicContact CB-CB 3.71Å; A283-P418 HydrophobicContact CB-CG 4.22Å
284Y91.9Very high89.6Confident26 Ų2631.6 Ų31.610%0.10217%0.168CC..Hα-helixtrans-61.4-43.5175.8172.1-91.9000112.4I225 E226 H227 I230 S280 A281 V282 E287 N288I225-Y284 HydrophobicContact CG2-CE1 3.97Å; E226-Y284 PolarHBondContact N-OH 3.42Å; E226-Y284 VanDerWaalsContact O-CZ 3.28Å; E226-Y284 PolarHBondContact O-OH 3.41Å; H227-Y284 HydrophobicContact CB-CD1 3.84Å; H227-Y284 HydrophobicContact CB-CE1 4.12Å; H227-Y284 HydrophobicContact CB-CG 4.05Å; H227-Y284 AromaticContact CD2-CG 3.81Å; I230-Y284 HydrophobicContact CD1-CD1 3.79Å; I230-Y284 HydrophobicContact CD1-CE1 4.33Å; S280-Y284 PolarHBondContact O-N 2.86Å; S280-Y284 VanDerWaalsContact O-N 3.09Å; A281-Y284 WeakPolarHBondContact O-CB 3.35Å; A281-Y284 PolarHBondContact O-N 3.49Å; V282-Y284 VanDerWaalsContact C-N 3.33Å; V282-Y284 PolarHBondContact O-N 3.37Å; Y284-E287 PolarHBondContact O-N 3.35Å; Y284-N288 WeakPolarHBondContact CE2-ND2 3.29Å; Y284-N288 PolarHBondContact O-N 3.47Å; Y284-N288 VanDerWaalsContact O-N 3.14Å; Y284-N288 PolarHBondContact O-ND2 2.92Å
285L89.9Confident89.4Confident1 Ų131.2 Ų31.21%0.00517%0.166CC..Hα-helixtrans-61.3-48176.8-69.9169.5000111.4I225 I230 A281 V282 E287 N288 S289 V290 H292 F313I225-L285 HydrophobicContact CD1-CD2 3.74Å; I225-L285 HydrophobicContact CG2-CD2 4.31Å; I230-L285 HydrophobicContact CD1-CD1 4.14Å; I230-L285 HydrophobicContact CD1-CD2 3.77Å; I230-L285 HydrophobicContact CD1-CG 3.73Å; A281-L285 WeakPolarHBondContact O-CG 3.41Å; A281-L285 PolarHBondContact O-N 2.9Å; V282-L285 PolarHBondContact O-N 3.24Å; L285-E287 PolarHBondContact O-N 3.16Å; L285-N288 CarbonylContact O-C 3.22Å; L285-N288 PolarHBondContact O-N 3.14Å; L285-N288 VanDerWaalsContact O-N 3.14Å; L285-S289 PolarHBondContact O-N 3.47Å; L285-V290 CarbonylContact C-O 3.56Å; L285-V290 VanDerWaalsContact C-O 3.25Å; L285-V290 HydrophobicContact CB-CB 4.35Å; L285-V290 HydrophobicContact CD2-CB 4.15Å; L285-V290 HydrophobicContact CD2-CG1 3.99Å; L285-V290 WeakPolarHBondContact O-CA 3.49Å; L285-V290 PolarHBondContact O-N 2.91Å; L285-H292 HydrophobicContact CD1-CB 4.43Å; L285-F313 HydrophobicContact CD1-CE1 3.66Å; L285-F313 HydrophobicContact CD1-CZ 4.48Å; L285-F313 HydrophobicContact CD2-CD1 4.5Å; L285-F313 HydrophobicContact CD2-CE1 3.49Å; L285-F313 VanDerWaalsContact CD2-CE1 3.49Å; L285-F313 HydrophobicContact CD2-CZ 3.99Å; L285-F313 HydrophobicContact CG-CE1 4.22Å
286H89.1Confident89.2Confident35 Ų3533.3 Ų33.316%0.16218%0.176CC..Hα-helixtrans-64.4-38.8-179.8-65.4173.4000112.1V282 A283 N288 S289 E350 D353V282-H286 WeakPolarHBondContact CG1-CE1 3.39Å; V282-H286 WeakPolarHBondContact CG1-NE2 3.42Å; V282-H286 WeakPolarHBondContact O-CB 3.41Å; V282-H286 PolarHBondContact O-N 2.97Å; A283-H286 PolarHBondContact O-N 2.94Å; H286-N288 VanDerWaalsContact C-N 3.26Å; H286-N288 PolarHBondContact O-N 2.79Å; H286-S289 PolarHBondContact O-N 3.39Å; H286-E350 HydrophobicContact CB-CB 4.49Å; H286-E350 PolarHBondContact CE1-O 3.14Å; H286-D353 IonicContact CD2-OD2 2.62Å; H286-D353 IonicContact CE1-OD2 3.9Å; H286-D353 IonicContact NE2-OD2 3.03Å; H286-D353 PolarHBondContact NE2-OD2 3.14Å
287E88.1Confident89.1Confident139 Ų13932.3 Ų32.365%0.6517%0.17SC*.Hα-helixtrans-62.2-34.5174-171.3176.6-172.900112A283 Y284 L285 S289A283-E287 WeakPolarHBondContact O-CB 3.32Å; A283-E287 PolarHBondContact O-N 3.41Å; Y284-E287 PolarHBondContact O-N 3.35Å; L285-E287 PolarHBondContact O-N 3.16Å; E287-S289 PolarHBondContact O-N 3.38Å
288N82.5Confident88.9Confident61 Ų6132.8 Ų32.833%0.32618%0.18SC..THydrogen-bonded Turntrans-85.914174.2-71.9-84.3000113.4Y284 L285 H286 V290Y284-N288 WeakPolarHBondContact CE2-ND2 3.29Å; Y284-N288 PolarHBondContact O-N 3.47Å; Y284-N288 VanDerWaalsContact O-N 3.14Å; Y284-N288 PolarHBondContact O-ND2 2.92Å; L285-N288 CarbonylContact O-C 3.22Å; L285-N288 PolarHBondContact O-N 3.14Å; L285-N288 VanDerWaalsContact O-N 3.14Å; H286-N288 VanDerWaalsContact C-N 3.26Å; H286-N288 PolarHBondContact O-N 2.79Å; N288-V290 HydrophobicContact CB-CG2 4.39Å; N288-V290 PolarHBondContact O-N 3.14Å
289S80.9Confident88.7Confident116 Ų11633.1 Ų33.181%0.81118%0.182SC*.THydrogen-bonded Turntrans57.330.5-178.7-56.30000114L285 H286 E287L285-S289 PolarHBondContact O-N 3.47Å; H286-S289 PolarHBondContact O-N 3.39Å; E287-S289 PolarHBondContact O-N 3.38Å
290V81Confident88.7Confident16 Ų1633.2 Ų33.210%0.09718%0.182CC..  trans-106126.4176.5-178.20000109.5L221 I225 L285 N288L221-V290 HydrophobicContact CD1-CG1 4.29Å; L221-V290 HydrophobicContact CD1-CG2 4.15Å; L221-V290 HydrophobicContact CD2-CG1 4.31Å; L221-V290 HydrophobicContact CG-CG2 4.48Å; I225-V290 HydrophobicContact CD1-CG1 4.28Å; I225-V290 HydrophobicContact CD1-CG2 4.43Å; L285-V290 CarbonylContact C-O 3.56Å; L285-V290 VanDerWaalsContact C-O 3.25Å; L285-V290 HydrophobicContact CB-CB 4.35Å; L285-V290 HydrophobicContact CD2-CB 4.15Å; L285-V290 HydrophobicContact CD2-CG1 3.99Å; L285-V290 WeakPolarHBondContact O-CA 3.49Å; L285-V290 PolarHBondContact O-N 2.91Å; N288-V290 HydrophobicContact CB-CG2 4.39Å; N288-V290 PolarHBondContact O-N 3.14Å
291L82Confident88.7Confident36 Ų3633.9 Ų33.919%0.18818%0.18CC..  trans-97.8136.3170.3-60.3-179.3000109.5R293 Y348 E350L291-R293 HydrophobicContact CB-CG 3.8Å; L291-Y348 HydrophobicContact CD1-CD2 4.36Å; L291-Y348 HydrophobicContact CD1-CE2 4.37Å; L291-E350 HydrophobicContact CD2-CB 3.79Å
292H85.9Confident88.6Confident0 Ų034.7 Ų34.70%018%0.184CC..  trans-75.9-44.1178.6-173.6-77.3000112L285 D294 L295 I310 G311 D312 F313 G314 D353L285-H292 HydrophobicContact CD1-CB 4.43Å; H292-D294 VanDerWaalsContact CE1-C 3.46Å; H292-D294 PolarHBondContact CE1-O 3.41Å; H292-D294 PolarHBondContact ND1-N 3.06Å; H292-D294 PolarHBondContact O-N 3.44Å; H292-L295 HydrophobicContact CB-CD1 4.27Å; H292-L295 HydrophobicContact CB-CD2 4.14Å; H292-L295 HydrophobicContact CB-CG 3.82Å; H292-L295 WeakPolarHBondContact ND1-CG 3.48Å; H292-L295 PolarHBondContact ND1-N 3.2Å; H292-L295 VanDerWaalsContact ND1-N 3.13Å; H292-I310 VanDerWaalsContact CD2-CG2 3.45Å; H292-I310 WeakPolarHBondContact CD2-CG2 3.39Å; H292-I310 WeakPolarHBondContact NE2-CG2 3.37Å; H292-G311 PolarHBondContact NE2-O 3.5Å; H292-D312 PolarHBondContact CE1-O 3.14Å; H292-F313 AromaticContact CD2-CD1 3.5Å; H292-F313 VanDerWaalsContact CD2-CD1 3.5Å; H292-F313 WeakPolarHBondContact CD2-CD1 3.1Å; H292-F313 AromaticContact CD2-CE1 3.76Å; H292-G314 WeakPolarHBondContact O-CA 3.45Å; H292-G314 PolarHBondContact O-N 2.84Å; H292-D353 PolarHBondContact N-OD2 3.1Å
293R80.1Confident88.2Confident90 Ų9035.7 Ų35.734%0.3419%0.19SC..  trans67.6-16.5174.4-50.8176.8178.7-164.3-4.6117.1L291 Y348 D353L291-R293 HydrophobicContact CB-CG 3.8Å; R293-Y348 HydrophobicContact CG-CE2 3.85Å; R293-Y348 VanDerWaalsContact CZ-OH 3.31Å; R293-Y348 PolarHBondContact NH1-OH 3.25Å; R293-D353 PolarHBondContact N-OD1 3.31Å
294D82.6Confident87.5Confident21 Ų2144 Ų4411%0.11222%0.218CC..  trans-130.238.9176.1-163.632.5000113H292 K296 N299 K317H292-D294 VanDerWaalsContact CE1-C 3.46Å; H292-D294 PolarHBondContact CE1-O 3.41Å; H292-D294 PolarHBondContact ND1-N 3.06Å; H292-D294 PolarHBondContact O-N 3.44Å; D294-K296 PolarHBondContact O-N 3.07Å; D294-K296 IonicContact OD1-NZ 3.77Å; D294-K296 IonicContact OD2-NZ 2.79Å; D294-K296 PolarHBondContact OD2-NZ 3.35Å; D294-N299 PolarHBondContact O-ND2 3.27Å; D294-N299 PolarHBondContact OD2-ND2 3.02Å; D294-K317 HydrophobicContact CB-CD 4.31Å; D294-K317 VanDerWaalsContact CG-CE 3.44Å; D294-K317 IonicContact OD1-NZ 2.69Å; D294-K317 PolarHBondContact OD1-NZ 3.09Å; D294-K317 WeakPolarHBondContact OD2-CE 3.38Å; D294-K317 IonicContact OD2-NZ 2.83Å; D294-K317 PolarHBondContact OD2-NZ 2.87Å
295L90.8Very high86.6Confident3 Ų348.7 Ų48.72%0.01625%0.245CC..  trans-66.4122.4175.5-75.8175.2000109.7V282 H292 I310 Y337 D353 A356 L357 I360V282-L295 HydrophobicContact CG2-CD1 3.8Å; H292-L295 HydrophobicContact CB-CD1 4.27Å; H292-L295 HydrophobicContact CB-CD2 4.14Å; H292-L295 HydrophobicContact CB-CG 3.82Å; H292-L295 WeakPolarHBondContact ND1-CG 3.48Å; H292-L295 PolarHBondContact ND1-N 3.2Å; H292-L295 VanDerWaalsContact ND1-N 3.13Å; L295-I310 HydrophobicContact CD2-CD1 4.08Å; L295-I310 HydrophobicContact CD2-CG2 3.79Å; L295-Y337 WeakPolarHBondContact O-CB 3.32Å; L295-D353 HydrophobicContact CD1-CB 3.74Å; L295-A356 HydrophobicContact CB-CB 3.68Å; L295-L357 HydrophobicContact CD1-CD2 4.25Å; L295-L357 HydrophobicContact CD1-CG 4.11Å; L295-I360 HydrophobicContact CB-CD1 4.38Å
296K91.1Very high85.9Confident44 Ų4453 Ų5319%0.19128%0.275CS..  trans-159.5161.4178.362.5-167.4-178.6-154.40109D294 A298 N299 V300 Y337D294-K296 PolarHBondContact O-N 3.07Å; D294-K296 IonicContact OD1-NZ 3.77Å; D294-K296 IonicContact OD2-NZ 2.79Å; D294-K296 PolarHBondContact OD2-NZ 3.35Å; K296-A298 HydrophobicContact CD-CB 4.47Å; K296-A298 HydrophobicContact CG-CB 4.22Å; K296-A298 PolarHBondContact O-N 3.16Å; K296-N299 VanDerWaalsContact CE-CG 3.43Å; K296-N299 WeakPolarHBondContact CE-OD1 3.41Å; K296-N299 HydrophobicContact CG-CB 4.07Å; K296-N299 PolarHBondContact O-N 3.35Å; K296-V300 PolarHBondContact O-N 2.96Å; K296-Y337 HydrophobicContact CB-CD1 4.36Å; K296-Y337 HydrophobicContact CB-CD2 3.42Å; K296-Y337 VanDerWaalsContact CB-CD2 3.42Å; K296-Y337 HydrophobicContact CB-CE1 4.41Å; K296-Y337 HydrophobicContact CB-CE2 3.45Å; K296-Y337 VanDerWaalsContact CB-CE2 3.45Å; K296-Y337 HydrophobicContact CB-CG 3.9Å
297T93.2Very high85.6Confident3 Ų356.7 Ų56.72%0.01829%0.291CS..G310 helixtrans-59.9-22.4-178.256.50000113.7L255 A256 L259 Y337 I360 E363L255-T297 WeakPolarHBondContact CB-O 3.34Å; L255-T297 HydrophobicContact CD2-CG2 4.02Å; L255-T297 HydrophobicContact CG-CG2 4.21Å; L255-T297 PolarHBondContact N-O 2.97Å; A256-T297 WeakPolarHBondContact CB-OG1 3.13Å; A256-T297 PolarHBondContact N-O 2.97Å; L259-T297 HydrophobicContact CD1-CG2 3.83Å; T297-Y337 HydrophobicContact CG2-CE1 4.34Å; T297-Y337 PolarHBondContact OG1-OH 3.21Å; T297-I360 HydrophobicContact CG2-CB 4.47Å; T297-I360 HydrophobicContact CG2-CG1 4.07Å; T297-I360 HydrophobicContact CG2-CG2 4.16Å; T297-E363 WeakPolarHBondContact CG2-OE2 3.43Å
298A90.1Very high85.8Confident41 Ų4150.1 Ų50.134%0.33926%0.26SS..G310 helixtrans-77.1-19174.800000114.3T254 A256 K296T254-A298 WeakPolarHBondContact CG2-O 3.42Å; A256-A298 HydrophobicContact CB-CB 4.21Å; K296-A298 HydrophobicContact CD-CB 4.47Å; K296-A298 HydrophobicContact CG-CB 4.22Å; K296-A298 PolarHBondContact O-N 3.16Å
299N91.9Very high86.3Confident8 Ų848 Ų484%0.04325%0.248CC..G310 helixtrans-103.77.4179-73.921.4000112.1D294 K296 G311 D312D294-N299 PolarHBondContact O-ND2 3.27Å; D294-N299 PolarHBondContact OD2-ND2 3.02Å; K296-N299 VanDerWaalsContact CE-CG 3.43Å; K296-N299 WeakPolarHBondContact CE-OD1 3.41Å; K296-N299 HydrophobicContact CG-CB 4.07Å; K296-N299 PolarHBondContact O-N 3.35Å; N299-G311 WeakPolarHBondContact CB-O 3.35Å; N299-G311 PolarHBondContact O-N 3.23Å; N299-D312 PolarHBondContact ND2-O 3.43Å; N299-D312 PolarHBondContact ND2-OD2 2.94Å
300V94.6Very high86.9Confident1 Ų142.4 Ų42.41%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-104.4109.9170.6179.70000107.3T254 L255 M278 K296 V308 I360T254-V300 CarbonylContact C-O 3.56Å; T254-V300 WeakPolarHBondContact CA-O 3.34Å; L255-V300 HydrophobicContact CB-CB 3.93Å; L255-V300 HydrophobicContact CB-CG1 3.95Å; L255-V300 HydrophobicContact CD2-CB 4.26Å; L255-V300 HydrophobicContact CD2-CG1 4.04Å; L255-V300 PolarHBondContact N-O 3.31Å; M278-V300 HydrophobicContact CG-CG1 4.36Å; M278-V300 HydrophobicContact SD-CB 4.48Å; M278-V300 HydrophobicContact SD-CG1 3.81Å; M278-V300 HydrophobicContact SD-CG2 3.81Å; K296-V300 PolarHBondContact O-N 2.96Å; V300-V308 HydrophobicContact CG1-CG1 3.42Å; V300-V308 VanDerWaalsContact CG1-CG1 3.42Å; V300-I360 HydrophobicContact CG2-CD1 4.23Å
301F94.7Very high87.3Confident53 Ų5341.7 Ų41.723%0.23221%0.205CC..EExtended strand (participates in β ladder)trans-96.2149.5-179.5-57.3-90.4000110.7I231 A250 G253 T254 V308 K309I231-F301 HydrophobicContact CD1-CB 4.21Å; I231-F301 HydrophobicContact CD1-CD2 4.06Å; I231-F301 HydrophobicContact CD1-CG 4.19Å; I231-F301 HydrophobicContact CG1-CD2 3.86Å; I231-F301 HydrophobicContact CG1-CE2 4.33Å; I231-F301 HydrophobicContact CG1-CG 4.49Å; A250-F301 HydrophobicContact CB-CB 3.55Å; A250-F301 HydrophobicContact CB-CG 4.32Å; G253-F301 WeakPolarHBondContact O-CA 3.42Å; T254-F301 HydrophobicContact CG2-CD1 3.8Å; T254-F301 HydrophobicContact CG2-CE1 3.79Å; F301-V308 CarbonylContact O-C 3.57Å; F301-V308 WeakPolarHBondContact O-CA 3.47Å; F301-K309 WeakPolarHBondContact CA-O 3.49Å; F301-K309 HydrophobicContact CB-CB 4.38Å; F301-K309 WeakPolarHBondContact CB-O 3.35Å; F301-K309 WeakPolarHBondContact CD2-O 2.97Å; F301-K309 PolarHBondContact N-O 2.97Å; F301-K309 PolarHBondContact O-N 3.44Å
302L92.8Very high87.2Confident18 Ų1843.4 Ų43.49%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-115.5147.6178.7-57176000109.1G252 G253 M258 F307 V308G252-L302 CarbonylContact C-O 3.55Å; G252-L302 WeakPolarHBondContact CA-O 3.46Å; G252-L302 PolarHBondContact N-O 3.01Å; G253-L302 PolarHBondContact O-N 3.29Å; M258-L302 HydrophobicContact CB-CD1 3.97Å; M258-L302 HydrophobicContact CG-CD1 4.3Å; M258-L302 HydrophobicContact SD-CD1 3.66Å; L302-F307 CarbonylContact C-O 3.55Å; L302-F307 WeakPolarHBondContact CA-O 3.48Å; L302-V308 HydrophobicContact CD2-CG2 3.98Å
303T85.8Confident86.6Confident20 Ų2043.6 Ų43.612%0.12322%0.215CC..  trans-100.6162.516671.90000110D251 D305 S306 F307 K309D251-T303 WeakPolarHBondContact OD1-CA 3.38Å; T303-D305 PolarHBondContact O-N 2.84Å; T303-D305 PolarHBondContact OG1-N 3.37Å; T303-S306 PolarHBondContact O-N 3.37Å; T303-F307 HydrophobicContact CG2-CB 4.26Å; T303-F307 PolarHBondContact N-O 3.28Å; T303-F307 WeakPolarHBondContact OG1-CB 3.31Å; T303-F307 PolarHBondContact OG1-N 2.59Å; T303-F307 VanDerWaalsContact OG1-N 3.14Å; T303-K309 HydrophobicContact CG2-CD 4.02Å
304R78.8Confident85.6Confident193 Ų19339.5 Ų39.573%0.72820%0.201SC*.THydrogen-bonded Turntrans-59.1-27.5172.7-73.1179.4-173.9-173.8-0.7113.4D251 S306D251-R304 PolarHBondContact OD1-N 2.94Å; D251-R304 WeakPolarHBondContact OD2-CD 3.19Å; D251-R304 VanDerWaalsContact OD2-CG 3.29Å; D251-R304 WeakPolarHBondContact OD2-CG 3.41Å; D251-R304 IonicContact OD2-NE 3.04Å; D251-R304 PolarHBondContact OD2-NE 3.17Å; R304-S306 PolarHBondContact O-N 3.06Å
305D73.6Confident84.2Confident123 Ų12339.6 Ų39.666%0.65820%0.201SC*.THydrogen-bonded Turntrans-82.816177-58.5-34000112.9T303 F307T303-D305 PolarHBondContact O-N 2.84Å; T303-D305 PolarHBondContact OG1-N 3.37Å; D305-F307 HydrophobicContact CB-CD2 3.84Å; D305-F307 HydrophobicContact CB-CE2 4.08Å; D305-F307 PolarHBondContact O-N 2.94Å
306S73.6Confident82.2Confident91 Ų9140.4 Ų40.464%0.63621%0.207SC*.SBendtrans63.122.4178.5-52.60000115.3T303 R304T303-S306 PolarHBondContact O-N 3.37Å; R304-S306 PolarHBondContact O-N 3.06Å
307F84.1Confident80.1Confident113 Ų11342.8 Ų42.850%0.49622%0.217SC..  trans-84.5141.4170.1-70.9-82.6000111.3L302 T303 D305L302-F307 CarbonylContact C-O 3.55Å; L302-F307 WeakPolarHBondContact CA-O 3.48Å; T303-F307 HydrophobicContact CG2-CB 4.26Å; T303-F307 PolarHBondContact N-O 3.28Å; T303-F307 WeakPolarHBondContact OG1-CB 3.31Å; T303-F307 PolarHBondContact OG1-N 2.59Å; T303-F307 VanDerWaalsContact OG1-N 3.14Å; D305-F307 HydrophobicContact CB-CD2 3.84Å; D305-F307 HydrophobicContact CB-CE2 4.08Å; D305-F307 PolarHBondContact O-N 2.94Å
308V92.6Very high77.8Confident1 Ų145.7 Ų45.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-91.7136.3172.9-179.50000109.9N229 M274 Q277 M278 V300 F301 L302N229-V308 WeakPolarHBondContact CA-O 3.33Å; N229-V308 VanDerWaalsContact CB-O 3.24Å; N229-V308 WeakPolarHBondContact CB-O 3.4Å; N229-V308 PolarHBondContact ND2-O 2.92Å; M274-V308 HydrophobicContact CB-CG2 3.91Å; M274-V308 HydrophobicContact CG-CG2 3.81Å; Q277-V308 HydrophobicContact CB-CB 3.91Å; Q277-V308 HydrophobicContact CB-CG2 4.26Å; M278-V308 HydrophobicContact CG-CG1 3.6Å; M278-V308 HydrophobicContact SD-CG1 4.46Å; V300-V308 HydrophobicContact CG1-CG1 3.42Å; V300-V308 VanDerWaalsContact CG1-CG1 3.42Å; F301-V308 CarbonylContact O-C 3.57Å; F301-V308 WeakPolarHBondContact O-CA 3.47Å; L302-V308 HydrophobicContact CD2-CG2 3.98Å
309K92.7Very high75.2Confident16 Ų1645.4 Ų45.47%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-130.6118.9173.5-70.5179172.2-79.80110.6P228 N229 I231 E248 F301 T303P228-K309 PolarHBondContact O-NZ 3.38Å; N229-K309 CarbonylContact O-C 3.14Å; N229-K309 WeakPolarHBondContact O-CA 3.42Å; I231-K309 HydrophobicContact CD1-CB 3.68Å; I231-K309 HydrophobicContact CD1-CD 4.04Å; I231-K309 HydrophobicContact CD1-CG 4.49Å; I231-K309 HydrophobicContact CG1-CB 4.13Å; E248-K309 WeakPolarHBondContact OE1-CE 3.24Å; E248-K309 IonicContact OE1-NZ 3.46Å; E248-K309 PolarHBondContact OE1-NZ 2.85Å; E248-K309 WeakPolarHBondContact OE2-CD 3.47Å; E248-K309 WeakPolarHBondContact OE2-CE 3.39Å; E248-K309 IonicContact OE2-NZ 2.77Å; E248-K309 PolarHBondContact OE2-NZ 3.3Å; F301-K309 WeakPolarHBondContact CA-O 3.49Å; F301-K309 HydrophobicContact CB-CB 4.38Å; F301-K309 WeakPolarHBondContact CB-O 3.35Å; F301-K309 WeakPolarHBondContact CD2-O 2.97Å; F301-K309 PolarHBondContact N-O 2.97Å; F301-K309 PolarHBondContact O-N 3.44Å; T303-K309 HydrophobicContact CG2-CD 4.02Å
310I93.6Very high72.5Confident0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-78.9133.9173.2-60-172.7000108.9N229 I230 I231 M278 A281 V282 H292 L295N229-I310 PolarHBondContact O-N 2.94Å; I230-I310 CarbonylContact C-O 3.51Å; I230-I310 WeakPolarHBondContact CA-O 3.19Å; I231-I310 PolarHBondContact N-O 3.16Å; M278-I310 HydrophobicContact CB-CD1 4.37Å; A281-I310 HydrophobicContact CB-CB 4.47Å; A281-I310 HydrophobicContact CB-CD1 3.6Å; A281-I310 HydrophobicContact CB-CG1 4.02Å; V282-I310 HydrophobicContact CG2-CD1 3.69Å; H292-I310 VanDerWaalsContact CD2-CG2 3.45Å; H292-I310 WeakPolarHBondContact CD2-CG2 3.39Å; H292-I310 WeakPolarHBondContact NE2-CG2 3.37Å; L295-I310 HydrophobicContact CD2-CD1 4.08Å; L295-I310 HydrophobicContact CD2-CG2 3.79Å
311G88.5Confident69.7Low1 Ų150.7 Ų50.71%0.0126%0.262CS..  trans-147.3179.7175.700000112.7H292 N299H292-G311 PolarHBondContact NE2-O 3.5Å; N299-G311 WeakPolarHBondContact CB-O 3.35Å; N299-G311 PolarHBondContact O-N 3.23Å
312D79.6Confident66.9Low71 Ų7154.8 Ų54.838%0.3828%0.282SS..  trans57.369.2-179.6-165.838.9000113.4K200 H292 N299K200-D312 IonicContact NZ-OD1 2.87Å; H292-D312 PolarHBondContact CE1-O 3.14Å; N299-D312 PolarHBondContact ND2-O 3.43Å; N299-D312 PolarHBondContact ND2-OD2 2.94Å
313F72.9Confident64.3Low5 Ų557.1 Ų57.12%0.02230%0.297CS..  trans-64136.4177.2-60.7-87000111.5L222 I225 I230 L285 H292 I315L222-F313 HydrophobicContact CD2-CD2 3.49Å; L222-F313 VanDerWaalsContact CD2-CD2 3.49Å; L222-F313 HydrophobicContact CD2-CE2 3.59Å; I225-F313 HydrophobicContact CD1-CE1 4.31Å; I225-F313 HydrophobicContact CD1-CZ 4.06Å; I225-F313 HydrophobicContact CG2-CZ 4.39Å; I230-F313 HydrophobicContact CG2-CE2 4.15Å; I230-F313 HydrophobicContact CG2-CZ 3.65Å; L285-F313 HydrophobicContact CD1-CE1 3.66Å; L285-F313 HydrophobicContact CD1-CZ 4.48Å; L285-F313 HydrophobicContact CD2-CD1 4.5Å; L285-F313 HydrophobicContact CD2-CE1 3.49Å; L285-F313 VanDerWaalsContact CD2-CE1 3.49Å; L285-F313 HydrophobicContact CD2-CZ 3.99Å; L285-F313 HydrophobicContact CG-CE1 4.22Å; H292-F313 AromaticContact CD2-CD1 3.5Å; H292-F313 VanDerWaalsContact CD2-CD1 3.5Å; H292-F313 WeakPolarHBondContact CD2-CD1 3.1Å; H292-F313 AromaticContact CD2-CE1 3.76Å; F313-I315 HydrophobicContact CB-CD1 4.11Å; F313-I315 HydrophobicContact CB-CG1 4.19Å; F313-I315 PolarHBondContact O-N 3.05Å
314G59.5Low61.9Low3 Ų363.3 Ų63.33%0.03133%0.328CS..G310 helixtrans-68.919.9-179.100000115.6H292 S316 K317H292-G314 WeakPolarHBondContact O-CA 3.45Å; H292-G314 PolarHBondContact O-N 2.84Å; G314-S316 PolarHBondContact O-N 3.02Å; G314-K317 WeakPolarHBondContact O-CB 3.15Å; G314-K317 PolarHBondContact O-N 2.68Å
315I54.3Low59.9Low24 Ų2458.2 Ų58.212%0.12333%0.328CS..G310 helixtrans-61.1-38.5175.6-61.1167.4000109.8E218 L221 F313 K317 I318E218-I315 HydrophobicContact CB-CG2 4.12Å; E218-I315 HydrophobicContact CG-CB 4.47Å; E218-I315 HydrophobicContact CG-CD1 4.47Å; L221-I315 HydrophobicContact CB-CD1 4.35Å; L221-I315 HydrophobicContact CD1-CD1 3.73Å; L221-I315 HydrophobicContact CD2-CD1 3.49Å; L221-I315 VanDerWaalsContact CD2-CD1 3.49Å; L221-I315 HydrophobicContact CG-CD1 4.06Å; F313-I315 HydrophobicContact CB-CD1 4.11Å; F313-I315 HydrophobicContact CB-CG1 4.19Å; F313-I315 PolarHBondContact O-N 3.05Å; I315-K317 PolarHBondContact O-N 2.67Å; I315-I318 PolarHBondContact O-N 2.83Å
316S47.3Very low57.8Low20 Ų2059.3 Ų59.314%0.1433%0.329CS..G310 helixtrans-66.4-19173.753.60000114F182 G314 M319F182-S316 WeakPolarHBondContact CE2-O 3.13Å; G314-S316 PolarHBondContact O-N 3.02Å; S316-M319 VanDerWaalsContact O-CB 3.32Å; S316-M319 WeakPolarHBondContact O-CB 3.35Å; S316-M319 WeakPolarHBondContact O-CG 2.82Å
317K48.6Very low55.6Low94 Ų9458.3 Ų58.341%0.40933%0.333SS..G310 helixtrans-84.9-12.9179.2-73.8-166.9178.3-176.50115D294 G314 I315 M319 G320D294-K317 HydrophobicContact CB-CD 4.31Å; D294-K317 VanDerWaalsContact CG-CE 3.44Å; D294-K317 IonicContact OD1-NZ 2.69Å; D294-K317 PolarHBondContact OD1-NZ 3.09Å; D294-K317 WeakPolarHBondContact OD2-CE 3.38Å; D294-K317 IonicContact OD2-NZ 2.83Å; D294-K317 PolarHBondContact OD2-NZ 2.87Å; G314-K317 WeakPolarHBondContact O-CB 3.15Å; G314-K317 PolarHBondContact O-N 2.68Å; I315-K317 PolarHBondContact O-N 2.67Å; K317-M319 PolarHBondContact O-N 3.4Å; K317-M319 VanDerWaalsContact O-N 3.08Å; K317-G320 PolarHBondContact O-N 3.02Å
318I44.5Very low52.9Low64 Ų6455.3 Ų55.333%0.32833%0.329SS..G310 helixtrans-57.2-25.2169.6-57.4174.4000110I315 G320 T321I315-I318 PolarHBondContact O-N 2.83Å; I318-G320 PolarHBondContact O-N 2.87Å; I318-T321 PolarHBondContact O-OG1 3.5Å; I318-T321 VanDerWaalsContact O-OG1 3.12Å
319M35.5Very low49.8Very low35 Ų3565.5 Ų65.517%0.17237%0.373CS..G310 helixtrans-67.3-8.1174-56.2-175.2179.800115.2F182 Q211 L214 S316 K317F182-M319 HydrophobicContact CD1-SD 4Å; F182-M319 HydrophobicContact CD2-SD 4.24Å; F182-M319 HydrophobicContact CE1-CB 4.26Å; F182-M319 HydrophobicContact CE1-SD 3.63Å; F182-M319 HydrophobicContact CE2-CB 4.12Å; F182-M319 HydrophobicContact CE2-SD 3.89Å; F182-M319 HydrophobicContact CG-SD 4.3Å; F182-M319 HydrophobicContact CZ-CB 3.54Å; F182-M319 HydrophobicContact CZ-CG 4.18Å; F182-M319 HydrophobicContact CZ-SD 3.58Å; F182-M319 VanDerWaalsContact CZ-SD 3.58Å; Q211-M319 HydrophobicContact CB-CE 4.02Å; Q211-M319 HydrophobicContact CB-SD 4.15Å; Q211-M319 HydrophobicContact CG-CE 4.44Å; Q211-M319 HydrophobicContact CG-CG 4.38Å; Q211-M319 HydrophobicContact CG-SD 4.02Å; Q211-M319 WeakPolarHBondContact O-CE 3.38Å; L214-M319 HydrophobicContact CB-CE 3.52Å; L214-M319 HydrophobicContact CD1-CE 4.13Å; L214-M319 HydrophobicContact CD1-CG 3.91Å; L214-M319 HydrophobicContact CG-CE 4.48Å; S316-M319 VanDerWaalsContact O-CB 3.32Å; S316-M319 WeakPolarHBondContact O-CB 3.35Å; S316-M319 WeakPolarHBondContact O-CG 2.82Å; K317-M319 PolarHBondContact O-N 3.4Å; K317-M319 VanDerWaalsContact O-N 3.08Å
320G34Very low46.9Very low26 Ų2669.1 Ų69.127%0.26840%0.397SS..G310 helixtrans-116.17.7-177.100000115.2K317 I318 E322 T323K317-G320 PolarHBondContact O-N 3.02Å; I318-G320 PolarHBondContact O-N 2.87Å; G320-E322 PolarHBondContact O-N 2.59Å; G320-T323 WeakPolarHBondContact CA-OG1 3.37Å; G320-T323 VanDerWaalsContact O-CB 3.27Å; G320-T323 WeakPolarHBondContact O-CB 3.44Å; G320-T323 PolarHBondContact O-N 2.79Å; G320-T323 PolarHBondContact O-OG1 2.58Å; G320-T323 VanDerWaalsContact O-OG1 3.06Å
321T36Very low43.9Very low93 Ų9374.1 Ų74.157%0.57143%0.428SS*.Hα-helixtrans-68.3-18.2-179.446.40000113.2I318 T323I318-T321 PolarHBondContact O-OG1 3.5Å; I318-T321 VanDerWaalsContact O-OG1 3.12Å; T321-T323 VanDerWaalsContact C-N 3.33Å
322E37.2Very low41.3Very low139 Ų13980 Ų8065%0.6546%0.463SS*.Hα-helixtrans-72.7-25166.9-66.3-173.616600112.7G320 L324 A325 Q326G320-E322 PolarHBondContact O-N 2.59Å; E322-L324 PolarHBondContact O-N 2.84Å; E322-A325 PolarHBondContact O-N 3.22Å; E322-Q326 WeakPolarHBondContact O-CB 3.34Å; E322-Q326 WeakPolarHBondContact O-CG 3.17Å; E322-Q326 PolarHBondContact O-N 2.97Å
323T36.9Very low39.9Very low67 Ų6778.5 Ų78.541%0.41146%0.464SS..Hα-helixtrans-75.1-28.1-173.7-32.70000113.2G320 T321 A328G320-T323 WeakPolarHBondContact CA-OG1 3.37Å; G320-T323 VanDerWaalsContact O-CB 3.27Å; G320-T323 WeakPolarHBondContact O-CB 3.44Å; G320-T323 PolarHBondContact O-N 2.79Å; G320-T323 PolarHBondContact O-OG1 2.58Å; G320-T323 VanDerWaalsContact O-OG1 3.06Å; T321-T323 VanDerWaalsContact C-N 3.33Å; T323-A328 HydrophobicContact CG2-CB 3.76Å
324L37.1Very low39.2Very low150 Ų15082.7 Ų82.779%0.78549%0.49SS*.Hα-helixtrans-80.3-28.3173.6-84.7152.3000112.5E322E322-L324 PolarHBondContact O-N 2.84Å
325A34.8Very low40.1Very low87 Ų8783.6 Ų83.672%0.71950%0.496SS*.Hα-helixtrans-86.1-19.4179.800000114E322E322-A325 PolarHBondContact O-N 3.22Å
326Q30Very low41.6Very low145 Ų14585.6 Ų85.668%0.67850%0.502SS*.THydrogen-bonded Turntrans-110.918.5-173.7-66.9-1740.400116E322 A328E322-Q326 WeakPolarHBondContact O-CB 3.34Å; E322-Q326 WeakPolarHBondContact O-CG 3.17Å; E322-Q326 PolarHBondContact O-N 2.97Å; Q326-A328 PolarHBondContact O-N 3.38Å; Q326-A328 VanDerWaalsContact O-N 3.1Å
327G26.9Very low43.7Very low71 Ų7185.6 Ų85.673%0.73250%0.499SS*.THydrogen-bonded Turntrans61.127169.600000115K329G327-K329 PolarHBondContact O-N 2.95Å
328A28.6Very low45.5Very low50 Ų5083.7 Ų83.741%0.41349%0.493SS..  trans-71.4124.9-179.200000111.3T323 Q326 T330T323-A328 HydrophobicContact CG2-CB 3.76Å; Q326-A328 PolarHBondContact O-N 3.38Å; Q326-A328 VanDerWaalsContact O-N 3.1Å; A328-T330 PolarHBondContact O-N 3.48Å
329K26.8Very low47.7Very low214 Ų21480.7 Ų80.793%0.9348%0.477SS*.SBendtrans-64.631.3-175.9-80.3-178171.51780116.5G327G327-K329 PolarHBondContact O-N 2.95Å
330T32.7Very low50.2Low93 Ų9379.3 Ų79.357%0.57147%0.471SS*.  trans-14395.4174.848.40000110.4A328 V332A328-T330 PolarHBondContact O-N 3.48Å; T330-V332 VanDerWaalsContact C-N 3.31Å; T330-V332 PolarHBondContact O-N 2.86Å
331V29.6Very low52.5Low105 Ų10578.7 Ų78.764%0.63646%0.461SS*.  trans-70.789.6168.1-179.90000107.9G333V331-G333 PolarHBondContact O-N 2.82Å
332V34.4Very low54.7Low125 Ų12576.9 Ų76.976%0.75845%0.447SS*.  trans-86.596.3171.6-176.80000108.1T330T330-V332 VanDerWaalsContact C-N 3.31Å; T330-V332 PolarHBondContact O-N 2.86Å
333G50.2Low56.8Low39 Ų3972.1 Ų72.140%0.40243%0.429SS..SBendtrans125.4131173.700000112.9V331 P335V331-G333 PolarHBondContact O-N 2.82Å; G333-P335 WeakPolarHBondContact O-CD 3.43Å
334T58Low58.5Low92 Ų9272 Ų7256%0.56443%0.431SS*.  trans-74.2115.2-176.7-14.10000110.7Y336T334-Y336 HydrophobicContact CG2-CD2 3.47Å; T334-Y336 VanDerWaalsContact CG2-CD2 3.47Å; T334-Y336 HydrophobicContact CG2-CE2 3.01Å; T334-Y336 HydrophobicContact CG2-CG 4.43Å; T334-Y336 PolarHBondContact O-N 2.79Å
335P78.4Confident60Low23 Ų2368.2 Ų68.215%0.14943%0.428CS..G310 helixtrans-75.918-165.812.3-5.5000115.7G333 Y337 I338 L376 L379G333-P335 WeakPolarHBondContact O-CD 3.43Å; P335-Y337 VanDerWaalsContact C-N 3.29Å; P335-Y337 PolarHBondContact O-N 2.79Å; P335-I338 HydrophobicContact CB-CD1 3.53Å; P335-I338 HydrophobicContact CB-CG1 4.23Å; P335-I338 WeakPolarHBondContact O-CG1 3.21Å; P335-I338 PolarHBondContact O-N 3.17Å; P335-L376 HydrophobicContact CB-CD1 4Å; P335-L376 HydrophobicContact CG-CD1 3.48Å; P335-L376 VanDerWaalsContact CG-CD1 3.48Å; P335-L379 HydrophobicContact CB-CD2 3.88Å; P335-L379 HydrophobicContact CG-CD2 3.67Å
336Y86.9Confident61.7Low65 Ų6568 Ų6826%0.25542%0.418SS..G310 helixtrans-71.6-14.2-169.1-57-51.4000115.7T334 K369 F371 L379T334-Y336 HydrophobicContact CG2-CD2 3.47Å; T334-Y336 VanDerWaalsContact CG2-CD2 3.47Å; T334-Y336 HydrophobicContact CG2-CE2 3.01Å; T334-Y336 HydrophobicContact CG2-CG 4.43Å; T334-Y336 PolarHBondContact O-N 2.79Å; Y336-K369 HydrophobicContact CD1-CG 4.45Å; Y336-K369 HydrophobicContact CD2-CD 3.94Å; Y336-K369 HydrophobicContact CD2-CG 3.79Å; Y336-K369 HydrophobicContact CE2-CG 4.09Å; Y336-K369 HydrophobicContact CG-CB 4.32Å; Y336-K369 HydrophobicContact CG-CD 4.28Å; Y336-K369 HydrophobicContact CG-CG 3.97Å; Y336-F371 WeakPolarHBondContact CD1-O 3.31Å; Y336-L379 HydrophobicContact CD1-CD1 3.89Å; Y336-L379 HydrophobicContact CD1-CD2 3.76Å; Y336-L379 HydrophobicContact CD1-CG 4.5Å; Y336-L379 HydrophobicContact CE1-CD1 4.32Å; Y336-L379 HydrophobicContact CE1-CD2 3.95Å
337Y90.5Very high63.5Low21 Ų2166.2 Ų66.28%0.08242%0.421CS..G310 helixtrans-109.63.5-178.5-50.5-89.3000112.7L295 K296 T297 P335 C359 I360 E363 K369L295-Y337 WeakPolarHBondContact O-CB 3.32Å; K296-Y337 HydrophobicContact CB-CD1 4.36Å; K296-Y337 HydrophobicContact CB-CD2 3.42Å; K296-Y337 VanDerWaalsContact CB-CD2 3.42Å; K296-Y337 HydrophobicContact CB-CE1 4.41Å; K296-Y337 HydrophobicContact CB-CE2 3.45Å; K296-Y337 VanDerWaalsContact CB-CE2 3.45Å; K296-Y337 HydrophobicContact CB-CG 3.9Å; T297-Y337 HydrophobicContact CG2-CE1 4.34Å; T297-Y337 PolarHBondContact OG1-OH 3.21Å; P335-Y337 VanDerWaalsContact C-N 3.29Å; P335-Y337 PolarHBondContact O-N 2.79Å; Y337-C359 HydrophobicContact CD1-CB 3.63Å; Y337-C359 HydrophobicContact CE1-CB 4.22Å; Y337-I360 HydrophobicContact CD1-CG1 4.06Å; Y337-I360 HydrophobicContact CE1-CG1 3.84Å; Y337-E363 PolarHBondContact OH-OE2 3.22Å; Y337-K369 PolarHBondContact OH-NZ 3.16Å
338I87.3Confident65.5Low54 Ų5466.8 Ų66.828%0.27740%0.401SS..  trans-69.1137.3178.5-60.3-177.9000108.8P335 M342 C343 W355P335-I338 HydrophobicContact CB-CD1 3.53Å; P335-I338 HydrophobicContact CB-CG1 4.23Å; P335-I338 WeakPolarHBondContact O-CG1 3.21Å; P335-I338 PolarHBondContact O-N 3.17Å; I338-M342 HydrophobicContact CG2-CB 3.52Å; I338-C343 VanDerWaalsContact CG2-SG 3.56Å; I338-W355 PolarHBondContact O-NE1 2.89Å
339S88.9Confident67.8Low0 Ų067.1 Ų67.10%040%0.397CS..  trans-87.4157.4179.567.30000112E341 M342 C343 W355S339-E341 VanDerWaalsContact C-N 3.26Å; S339-E341 VanDerWaalsContact CB-CD 3.47Å; S339-E341 WeakPolarHBondContact CB-OE1 3.33Å; S339-E341 WeakPolarHBondContact CB-OE2 3.48Å; S339-E341 PolarHBondContact O-N 3.45Å; S339-E341 PolarHBondContact OG-OE1 3.38Å; S339-E341 PolarHBondContact OG-OE2 3.19Å; S339-M342 WeakPolarHBondContact O-CB 3.37Å; S339-M342 PolarHBondContact O-N 3.13Å; S339-M342 WeakPolarHBondContact OG-CE 3.46Å; S339-M342 WeakPolarHBondContact OG-CG 3.5Å; S339-C343 PolarHBondContact O-N 2.84Å; S339-W355 VanDerWaalsContact CA-CD1 3.5Å
340P88.8Confident70.6Confident7 Ų760.4 Ų60.45%0.04537%0.368CS..Hα-helixtrans-55-38.7179.5-26.333.7000113.8M342 C343 S344 W355 I383 M384 L409P340-M342 VanDerWaalsContact C-N 3.35Å; P340-C343 PolarHBondContact O-N 2.83Å; P340-S344 PolarHBondContact O-N 3.29Å; P340-S344 PolarHBondContact O-OG 3.42Å; P340-W355 HydrophobicContact CG-CE3 4.32Å; P340-W355 HydrophobicContact CG-CH2 3.66Å; P340-W355 HydrophobicContact CG-CZ2 4Å; P340-W355 HydrophobicContact CG-CZ3 3.84Å; P340-I383 HydrophobicContact CB-CG2 4.45Å; P340-I383 HydrophobicContact CG-CG2 3.92Å; P340-M384 HydrophobicContact CB-SD 3.82Å; P340-L409 HydrophobicContact CB-CD2 4.23Å; P340-L409 HydrophobicContact CG-CD2 3.78Å
341E83Confident73.4Confident13 Ų1357.2 Ų57.26%0.06135%0.346CS..Hα-helixtrans-67.8-33.1176.866.1-80.4-175.500112.7S339 S344 G345 V346 S352 P411 R414S339-E341 VanDerWaalsContact C-N 3.26Å; S339-E341 VanDerWaalsContact CB-CD 3.47Å; S339-E341 WeakPolarHBondContact CB-OE1 3.33Å; S339-E341 WeakPolarHBondContact CB-OE2 3.48Å; S339-E341 PolarHBondContact O-N 3.45Å; S339-E341 PolarHBondContact OG-OE1 3.38Å; S339-E341 PolarHBondContact OG-OE2 3.19Å; E341-S344 WeakPolarHBondContact CA-OG 3.5Å; E341-S344 PolarHBondContact O-OG 2.82Å; E341-G345 PolarHBondContact O-N 2.85Å; E341-V346 HydrophobicContact CB-CB 4.32Å; E341-V346 PolarHBondContact O-N 3.29Å; E341-S352 WeakPolarHBondContact OE1-CA 3.37Å; E341-S352 VanDerWaalsContact OE1-CB 3.3Å; E341-S352 WeakPolarHBondContact OE1-CB 3.27Å; E341-S352 PolarHBondContact OE1-OG 3.29Å; E341-P411 HydrophobicContact CB-CG 4.27Å; E341-P411 HydrophobicContact CG-CG 4.18Å; E341-R414 VanDerWaalsContact CD-NH1 3.35Å; E341-R414 IonicContact OE1-CZ 3.55Å; E341-R414 IonicContact OE1-NH1 3.76Å; E341-R414 PolarHBondContact OE1-NH1 2.86Å; E341-R414 IonicContact OE1-NH2 3.65Å; E341-R414 IonicContact OE2-CZ 2.65Å; E341-R414 IonicContact OE2-NH1 2.78Å; E341-R414 PolarHBondContact OE2-NH1 2.96Å; E341-R414 IonicContact OE2-NH2 2.72Å; E341-R414 PolarHBondContact OE2-NH2 3.2Å
342M82.6Confident76.3Confident54 Ų5452.3 Ų52.327%0.26632%0.317SS..Hα-helixtrans-70.6-38.8171.8-73.9-167.6-93.500111.5I338 S339 P340 S344 G345 Y348I338-M342 HydrophobicContact CG2-CB 3.52Å; S339-M342 WeakPolarHBondContact O-CB 3.37Å; S339-M342 PolarHBondContact O-N 3.13Å; S339-M342 WeakPolarHBondContact OG-CE 3.46Å; S339-M342 WeakPolarHBondContact OG-CG 3.5Å; P340-M342 VanDerWaalsContact C-N 3.35Å; M342-S344 VanDerWaalsContact C-N 3.3Å; M342-S344 PolarHBondContact O-N 2.89Å; M342-G345 PolarHBondContact O-N 2.55Å; M342-Y348 HydrophobicContact CG-CD1 4.19Å; M342-Y348 HydrophobicContact CG-CG 4.11Å
343C80.2Confident79Confident40 Ų4046.6 Ų46.627%0.2728%0.282SS..Hα-helixtrans-63.9-33.7175.1-71.40000113.1I338 S339 P340 V380 M384I338-C343 VanDerWaalsContact CG2-SG 3.56Å; S339-C343 PolarHBondContact O-N 2.84Å; P340-C343 PolarHBondContact O-N 2.83Å; C343-V380 HydrophobicContact CB-CG1 4.11Å; C343-M384 HydrophobicContact CB-CG 4.33Å; C343-M384 HydrophobicContact CB-SD 3.73Å
344S73.2Confident81.2Confident65 Ų6544.7 Ų44.746%0.45526%0.263SS..THydrogen-bonded Turntrans-87.4-2.3179.149.30000114.1P340 E341 M342 V346P340-S344 PolarHBondContact O-N 3.29Å; P340-S344 PolarHBondContact O-OG 3.42Å; E341-S344 WeakPolarHBondContact CA-OG 3.5Å; E341-S344 PolarHBondContact O-OG 2.82Å; M342-S344 VanDerWaalsContact C-N 3.3Å; M342-S344 PolarHBondContact O-N 2.89Å; S344-V346 VanDerWaalsContact C-N 3.26Å; S344-V346 PolarHBondContact O-N 3.21Å
345G68.7Low83Confident70 Ų7040.3 Ų40.372%0.72224%0.236SC*.THydrogen-bonded Turntrans71.916.6-179.800000114.4E341 M342E341-G345 PolarHBondContact O-N 2.85Å; M342-G345 PolarHBondContact O-N 2.55Å
346V69.9Low83.7Confident83 Ų8339.4 Ų39.450%0.50323%0.231SC..PPolyproline II helixtrans-77.6156.3175.6-179.10000109.3E341 S344 Y348E341-V346 HydrophobicContact CB-CB 4.32Å; E341-V346 PolarHBondContact O-N 3.29Å; S344-V346 VanDerWaalsContact C-N 3.26Å; S344-V346 PolarHBondContact O-N 3.21Å; V346-Y348 PolarHBondContact O-N 3.3Å; V346-Y348 VanDerWaalsContact O-N 3.07Å
347S67.3Low84.2Confident107 Ų10736.3 Ų36.375%0.74822%0.218SC*.PPolyproline II helixtrans-55.1117.3172.857.60000110.4
348Y69Low84.5Confident82 Ų8235.3 Ų35.332%0.32221%0.214SC..PPolyproline II helixtrans-88.6150.5174.861-94.2000110.1L291 R293 M342 V346 S352L291-Y348 HydrophobicContact CD1-CD2 4.36Å; L291-Y348 HydrophobicContact CD1-CE2 4.37Å; R293-Y348 HydrophobicContact CG-CE2 3.85Å; R293-Y348 VanDerWaalsContact CZ-OH 3.31Å; R293-Y348 PolarHBondContact NH1-OH 3.25Å; M342-Y348 HydrophobicContact CG-CD1 4.19Å; M342-Y348 HydrophobicContact CG-CG 4.11Å; V346-Y348 PolarHBondContact O-N 3.3Å; V346-Y348 VanDerWaalsContact O-N 3.07Å; Y348-S352 VanDerWaalsContact CB-OG 3.3Å; Y348-S352 WeakPolarHBondContact CB-OG 3.15Å
349N77.3Confident84.9Confident58 Ų5832.9 Ų32.931%0.3120%0.202SC..  trans-136.8-162.1-17672-6.1000110.6K351 S352N349-K351 PolarHBondContact O-N 2.76Å; N349-K351 VanDerWaalsContact O-N 3.16Å; N349-K351 WeakPolarHBondContact OD1-CB 3.49Å; N349-K351 WeakPolarHBondContact OD1-CG 3.42Å; N349-K351 PolarHBondContact OD1-N 3.42Å; N349-S352 PolarHBondContact N-OG 3.02Å; N349-S352 WeakPolarHBondContact O-CB 3.44Å; N349-S352 PolarHBondContact O-N 3.24Å; N349-S352 VanDerWaalsContact O-N 3.07Å; N349-S352 PolarHBondContact O-OG 2.85Å
350E85.9Confident85.3Confident73 Ų7332.9 Ų32.934%0.34120%0.202SC..Hα-helixtrans-58.5-24.9178.575-74.7170.500113.6H286 L291 S352 D353 M354H286-E350 HydrophobicContact CB-CB 4.49Å; H286-E350 PolarHBondContact CE1-O 3.14Å; L291-E350 HydrophobicContact CD2-CB 3.79Å; E350-S352 PolarHBondContact O-N 3.08Å; E350-D353 PolarHBondContact O-N 3.01Å; E350-M354 PolarHBondContact O-N 3.02Å
351K91.1Very high85.7Confident25 Ų2532.5 Ų32.511%0.10920%0.2CC..Hα-helixtrans-73.1-17.4178.2-54.8-68.9-172.1159.10113.1N349 M354 W355 P411 R414N349-K351 PolarHBondContact O-N 2.76Å; N349-K351 VanDerWaalsContact O-N 3.16Å; N349-K351 WeakPolarHBondContact OD1-CB 3.49Å; N349-K351 WeakPolarHBondContact OD1-CG 3.42Å; N349-K351 PolarHBondContact OD1-N 3.42Å; K351-M354 PolarHBondContact O-N 2.8Å; K351-W355 PolarHBondContact O-N 2.79Å; K351-P411 HydrophobicContact CB-CB 3.92Å; K351-P411 WeakPolarHBondContact CD-O 3.4Å; K351-P411 HydrophobicContact CG-CB 4.4Å; K351-P411 VanDerWaalsContact CG-O 3.27Å; K351-P411 WeakPolarHBondContact CG-O 3.49Å; K351-R414 HydrophobicContact CD-CB 4.32Å; K351-R414 PolarHBondContact NZ-O 3.42Å; K351-R414 WeakPolarHBondContact O-CD 3.39Å; K351-R414 PolarHBondContact O-NH1 3.02Å
352S89.9Confident86.3Confident3 Ų331.9 Ų31.92%0.02120%0.197CC..Hα-helixtrans-74.4-35.6175.3-48.80000111.2E341 Y348 N349 E350 M354 W355 A356E341-S352 WeakPolarHBondContact OE1-CA 3.37Å; E341-S352 VanDerWaalsContact OE1-CB 3.3Å; E341-S352 WeakPolarHBondContact OE1-CB 3.27Å; E341-S352 PolarHBondContact OE1-OG 3.29Å; Y348-S352 VanDerWaalsContact CB-OG 3.3Å; Y348-S352 WeakPolarHBondContact CB-OG 3.15Å; N349-S352 PolarHBondContact N-OG 3.02Å; N349-S352 WeakPolarHBondContact O-CB 3.44Å; N349-S352 PolarHBondContact O-N 3.24Å; N349-S352 VanDerWaalsContact O-N 3.07Å; N349-S352 PolarHBondContact O-OG 2.85Å; E350-S352 PolarHBondContact O-N 3.08Å; S352-M354 VanDerWaalsContact C-N 3.3Å; S352-W355 PolarHBondContact O-N 2.93Å; S352-A356 PolarHBondContact O-N 2.93Å
353D92.2Very high86.9Confident4 Ų430 Ų302%0.02119%0.187CC..Hα-helixtrans-64.5-37169.3-72.8-23.6000110.9V282 H286 H292 R293 L295 E350 A356 L357V282-D353 HydrophobicContact CG1-CB 4.36Å; H286-D353 IonicContact CD2-OD2 2.62Å; H286-D353 IonicContact CE1-OD2 3.9Å; H286-D353 IonicContact NE2-OD2 3.03Å; H286-D353 PolarHBondContact NE2-OD2 3.14Å; H292-D353 PolarHBondContact N-OD2 3.1Å; R293-D353 PolarHBondContact N-OD1 3.31Å; L295-D353 HydrophobicContact CD1-CB 3.74Å; E350-D353 PolarHBondContact O-N 3.01Å; D353-A356 WeakPolarHBondContact O-CB 3.47Å; D353-A356 PolarHBondContact O-N 3Å; D353-L357 PolarHBondContact O-N 3.3Å
354M96.3Very high87.6Confident0 Ų028 Ų280%017%0.174CC..Hα-helixtrans-66.1-37.6176.5-59.5-52.8-55.800112.8V282 E350 K351 S352 L357 G358 L406 P415 A417 A420V282-M354 HydrophobicContact CG1-SD 4.1Å; E350-M354 PolarHBondContact O-N 3.02Å; K351-M354 PolarHBondContact O-N 2.8Å; S352-M354 VanDerWaalsContact C-N 3.3Å; M354-L357 HydrophobicContact CE-CD1 4.03Å; M354-L357 PolarHBondContact O-N 2.83Å; M354-L357 HydrophobicContact SD-CD1 4.06Å; M354-G358 PolarHBondContact O-N 3Å; M354-L406 HydrophobicContact CB-CD2 4.14Å; M354-L406 HydrophobicContact CE-CD2 3.52Å; M354-P415 WeakPolarHBondContact CG-O 3.22Å; M354-A417 HydrophobicContact CE-CB 4.22Å; M354-A417 HydrophobicContact SD-CB 3.75Å; M354-A420 HydrophobicContact CE-CB 3.84Å
355W95.3Very high88.6Confident0 Ų025 Ų250%015%0.153CC..Hα-helixtrans-60.1-46.7171173.5-85.2000111.4I338 S339 P340 K351 S352 L357 G358 C359 F371 I383 L407 Q408I338-W355 PolarHBondContact O-NE1 2.89Å; S339-W355 VanDerWaalsContact CA-CD1 3.5Å; P340-W355 HydrophobicContact CG-CE3 4.32Å; P340-W355 HydrophobicContact CG-CH2 3.66Å; P340-W355 HydrophobicContact CG-CZ2 4Å; P340-W355 HydrophobicContact CG-CZ3 3.84Å; K351-W355 PolarHBondContact O-N 2.79Å; S352-W355 PolarHBondContact O-N 2.93Å; W355-L357 VanDerWaalsContact C-N 3.3Å; W355-L357 PolarHBondContact O-N 3.14Å; W355-G358 CarbonylContact O-C 3.5Å; W355-G358 WeakPolarHBondContact O-CA 3.26Å; W355-G358 PolarHBondContact O-N 3.19Å; W355-C359 PolarHBondContact O-N 3.04Å; W355-F371 AromaticContact CE2-CE2 3.99Å; W355-F371 AromaticContact CH2-CE2 3.89Å; W355-F371 HydrophobicContact CH2-CE2 3.89Å; W355-F371 AromaticContact CH2-CZ 3.62Å; W355-F371 HydrophobicContact CH2-CZ 3.62Å; W355-F371 HydrophobicContact CZ2-CD2 4.09Å; W355-F371 HydrophobicContact CZ2-CE1 4.47Å; W355-F371 AromaticContact CZ2-CE2 3.25Å; W355-F371 HydrophobicContact CZ2-CE2 3.25Å; W355-F371 AromaticContact CZ2-CZ 3.49Å; W355-F371 HydrophobicContact CZ2-CZ 3.49Å; W355-F371 VanDerWaalsContact CZ2-CZ 3.49Å; W355-I383 HydrophobicContact CZ2-CG2 3.96Å; W355-L407 HydrophobicContact CD2-CD2 3.98Å; W355-L407 HydrophobicContact CE3-CD2 4.05Å; W355-L407 HydrophobicContact CH2-CD2 4.43Å; W355-L407 HydrophobicContact CZ2-CD2 4.34Å; W355-L407 HydrophobicContact CZ3-CB 4.3Å; W355-L407 HydrophobicContact CZ3-CD2 4.29Å; W355-Q408 WeakPolarHBondContact CZ3-O 3.36Å
356A94.6Very high89.6Confident4 Ų422.6 Ų22.63%0.03313%0.125CC..Hα-helixtrans-61-38.817800000112.2L295 S352 D353 G358 C359 I360L295-A356 HydrophobicContact CB-CB 3.68Å; S352-A356 PolarHBondContact O-N 2.93Å; D353-A356 WeakPolarHBondContact O-CB 3.47Å; D353-A356 PolarHBondContact O-N 3Å; A356-G358 VanDerWaalsContact C-N 3.33Å; A356-C359 WeakPolarHBondContact O-CB 3.39Å; A356-C359 PolarHBondContact O-N 2.5Å; A356-I360 WeakPolarHBondContact O-CG1 3.36Å; A356-I360 PolarHBondContact O-N 3.2Å
357L97Very high90.6Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-61.6-38.7169.9-73.6-179.1000112.4M275 M278 V282 L295 D353 M354 W355 I360 L361M275-L357 HydrophobicContact CE-CB 4.33Å; M278-L357 HydrophobicContact CB-CD2 3.95Å; M278-L357 HydrophobicContact SD-CD2 4.29Å; V282-L357 HydrophobicContact CB-CD1 4.2Å; V282-L357 HydrophobicContact CG1-CD1 4.29Å; V282-L357 HydrophobicContact CG2-CD1 3.99Å; V282-L357 HydrophobicContact CG2-CD2 4.49Å; L295-L357 HydrophobicContact CD1-CD2 4.25Å; L295-L357 HydrophobicContact CD1-CG 4.11Å; D353-L357 PolarHBondContact O-N 3.3Å; M354-L357 HydrophobicContact CE-CD1 4.03Å; M354-L357 PolarHBondContact O-N 2.83Å; M354-L357 HydrophobicContact SD-CD1 4.06Å; W355-L357 VanDerWaalsContact C-N 3.3Å; W355-L357 PolarHBondContact O-N 3.14Å; L357-I360 HydrophobicContact CD2-CD1 4.4Å; L357-I360 PolarHBondContact O-N 3.42Å; L357-L361 WeakPolarHBondContact O-CB 3.35Å; L357-L361 PolarHBondContact O-N 2.91Å
358G96.6Very high91.7Very high0 Ų019.9 Ų19.90%010%0.095CC..Hα-helixtrans-60-43.3172.600000112.8M354 W355 A356 L361 Y362M354-G358 PolarHBondContact O-N 3Å; W355-G358 CarbonylContact O-C 3.5Å; W355-G358 WeakPolarHBondContact O-CA 3.26Å; W355-G358 PolarHBondContact O-N 3.19Å; A356-G358 VanDerWaalsContact C-N 3.33Å; G358-L361 PolarHBondContact O-N 3.08Å; G358-Y362 WeakPolarHBondContact O-CB 3.43Å; G358-Y362 PolarHBondContact O-N 2.9Å
359C96.3Very high92.7Very high2 Ų218.2 Ų18.21%0.0149%0.089CC..Hα-helixtrans-64.4-41.5174.1-71.40000112.3Y337 W355 A356 Y362 E363Y337-C359 HydrophobicContact CD1-CB 3.63Å; Y337-C359 HydrophobicContact CE1-CB 4.22Å; W355-C359 PolarHBondContact O-N 3.04Å; A356-C359 WeakPolarHBondContact O-CB 3.39Å; A356-C359 PolarHBondContact O-N 2.5Å; C359-Y362 PolarHBondContact O-N 3.08Å; C359-E363 WeakPolarHBondContact O-CB 3.41Å; C359-E363 PolarHBondContact O-N 3.05Å
360I96.7Very high93.4Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-63.2-45.8176-69.5164.5000110.5L255 M278 L295 T297 V300 Y337 A356 L357 E363 M364L255-I360 HydrophobicContact CD2-CG2 3.72Å; M278-I360 HydrophobicContact CE-CG2 4Å; M278-I360 HydrophobicContact SD-CG2 4.07Å; L295-I360 HydrophobicContact CB-CD1 4.38Å; T297-I360 HydrophobicContact CG2-CB 4.47Å; T297-I360 HydrophobicContact CG2-CG1 4.07Å; T297-I360 HydrophobicContact CG2-CG2 4.16Å; V300-I360 HydrophobicContact CG2-CD1 4.23Å; Y337-I360 HydrophobicContact CD1-CG1 4.06Å; Y337-I360 HydrophobicContact CE1-CG1 3.84Å; A356-I360 WeakPolarHBondContact O-CG1 3.36Å; A356-I360 PolarHBondContact O-N 3.2Å; L357-I360 HydrophobicContact CD2-CD1 4.4Å; L357-I360 PolarHBondContact O-N 3.42Å; I360-E363 PolarHBondContact O-N 3.25Å; I360-M364 HydrophobicContact CG2-CE 4.19Å; I360-M364 WeakPolarHBondContact O-CG 3.38Å; I360-M364 PolarHBondContact O-N 3.47Å
361L96.8Very high93.6Very high0 Ų012.4 Ų12.40%06%0.062CC..Hα-helixtrans-61.1-46.1177.4-178.349.6000111.7I271 M275 L357 G358 E363 M364 C365 M399 V402 I403 L406I271-L361 HydrophobicContact CG2-CD1 3.33Å; M275-L361 HydrophobicContact CE-CB 3.97Å; M275-L361 HydrophobicContact CE-CD2 4.09Å; M275-L361 HydrophobicContact CE-CG 4.43Å; M275-L361 HydrophobicContact CG-CB 4.42Å; M275-L361 HydrophobicContact CG-CD1 3.49Å; M275-L361 VanDerWaalsContact CG-CD1 3.49Å; M275-L361 HydrophobicContact CG-CD2 4.32Å; M275-L361 HydrophobicContact CG-CG 4.25Å; M275-L361 HydrophobicContact SD-CB 3.72Å; M275-L361 HydrophobicContact SD-CD1 3.93Å; M275-L361 HydrophobicContact SD-CD2 4.43Å; M275-L361 HydrophobicContact SD-CG 4.2Å; L357-L361 WeakPolarHBondContact O-CB 3.35Å; L357-L361 PolarHBondContact O-N 2.91Å; G358-L361 PolarHBondContact O-N 3.08Å; L361-E363 VanDerWaalsContact C-N 3.29Å; L361-E363 PolarHBondContact O-N 3.16Å; L361-M364 HydrophobicContact CD1-CE 4.01Å; L361-M364 PolarHBondContact O-N 3.4Å; L361-C365 PolarHBondContact O-N 2.95Å; L361-M399 HydrophobicContact CD1-SD 3.77Å; L361-M399 HydrophobicContact CD2-SD 4.05Å; L361-M399 HydrophobicContact CG-SD 4.34Å; L361-V402 HydrophobicContact CD2-CB 4.3Å; L361-V402 HydrophobicContact CD2-CG1 3.73Å; L361-I403 HydrophobicContact CB-CG1 4.24Å; L361-I403 HydrophobicContact CD2-CD1 4.23Å; L361-I403 HydrophobicContact CD2-CG1 3.44Å; L361-I403 VanDerWaalsContact CD2-CG1 3.44Å; L361-I403 HydrophobicContact CG-CD1 3.85Å; L361-I403 HydrophobicContact CG-CG1 3.49Å; L361-I403 VanDerWaalsContact CG-CG1 3.49Å; L361-L406 HydrophobicContact CD2-CD1 4.27Å
362Y95.6Very high93.2Very high0 Ų016.5 Ų16.50%08%0.082CC..Hα-helixtrans-56.5-44.9174.6-176.8-82.6000111.8G358 C359 M364 C365 C366 K368 A370 Y388 T389 V391 I403G358-Y362 WeakPolarHBondContact O-CB 3.43Å; G358-Y362 PolarHBondContact O-N 2.9Å; C359-Y362 PolarHBondContact O-N 3.08Å; Y362-M364 PolarHBondContact O-N 3.32Å; Y362-C365 PolarHBondContact O-N 3.23Å; Y362-C366 HydrophobicContact CD1-CB 4.19Å; Y362-C366 HydrophobicContact CE1-CB 3.71Å; Y362-C366 WeakPolarHBondContact O-CB 3.34Å; Y362-C366 PolarHBondContact O-N 3.32Å; Y362-K368 HydrophobicContact CE1-CG 4.19Å; Y362-K368 WeakPolarHBondContact OH-CE 3.22Å; Y362-A370 HydrophobicContact CD1-CB 3.54Å; Y362-A370 HydrophobicContact CD2-CB 4.4Å; Y362-A370 VanDerWaalsContact CE1-CA 3.44Å; Y362-A370 HydrophobicContact CE1-CB 4.12Å; Y362-A370 HydrophobicContact CG-CB 3.7Å; Y362-Y388 AromaticContact CD2-CD2 3.86Å; Y362-Y388 HydrophobicContact CD2-CD2 3.86Å; Y362-Y388 HydrophobicContact CD2-CE2 4.1Å; Y362-Y388 AromaticContact CE2-CD2 3.5Å; Y362-Y388 HydrophobicContact CE2-CD2 3.5Å; Y362-Y388 VanDerWaalsContact CE2-CD2 3.5Å; Y362-Y388 HydrophobicContact CE2-CE2 4.01Å; Y362-T389 WeakPolarHBondContact CE2-O 3.42Å; Y362-T389 VanDerWaalsContact CZ-O 3.26Å; Y362-T389 PolarHBondContact OH-O 3.48Å; Y362-T389 PolarHBondContact OH-OG1 3.45Å; Y362-V391 HydrophobicContact CD2-CG2 3.65Å; Y362-V391 HydrophobicContact CE2-CG2 3.73Å; Y362-I403 HydrophobicContact CD2-CG2 4.08Å
363E95.1Very high92.7Very high13 Ų1317.9 Ų17.96%0.06110%0.096CC..Hα-helixtrans-65.9-36.6179.8-167.4-177.2158.700112.4L259 T297 Y337 C359 I360 L361 L367 K368 K369L259-E363 HydrophobicContact CD1-CG 3.97Å; T297-E363 WeakPolarHBondContact CG2-OE2 3.43Å; Y337-E363 PolarHBondContact OH-OE2 3.22Å; C359-E363 WeakPolarHBondContact O-CB 3.41Å; C359-E363 PolarHBondContact O-N 3.05Å; I360-E363 PolarHBondContact O-N 3.25Å; L361-E363 VanDerWaalsContact C-N 3.29Å; L361-E363 PolarHBondContact O-N 3.16Å; E363-L367 WeakPolarHBondContact O-CA 3.44Å; E363-L367 PolarHBondContact O-N 3.15Å; E363-K368 WeakPolarHBondContact CA-O 3.35Å; E363-K369 HydrophobicContact CG-CD 4.35Å; E363-K369 IonicContact OE1-NZ 3.14Å; E363-K369 PolarHBondContact OE1-NZ 2.87Å; E363-K369 WeakPolarHBondContact OE2-CD 3.4Å; E363-K369 IonicContact OE2-NZ 3.28Å; E363-K369 PolarHBondContact OE2-NZ 3.31Å
364M95.2Very high91.9Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-65-40.6173.2-69.2-169.4-65.600112.2L255 L259 L266 I271 M274 M275 M278 I360 L361 Y362L255-M364 HydrophobicContact CD1-CG 4.34Å; L255-M364 HydrophobicContact CD1-SD 4.1Å; L255-M364 HydrophobicContact CD2-CG 4.19Å; L255-M364 HydrophobicContact CD2-SD 3.86Å; L259-M364 HydrophobicContact CD1-CG 4.32Å; L259-M364 HydrophobicContact CD2-CG 4.25Å; L266-M364 HydrophobicContact CD1-CB 4.39Å; I271-M364 HydrophobicContact CD1-CB 4.4Å; I271-M364 HydrophobicContact CG1-CB 4.29Å; I271-M364 HydrophobicContact CG2-CB 4.33Å; I271-M364 HydrophobicContact CG2-CE 4.05Å; M274-M364 HydrophobicContact CB-SD 4.4Å; M274-M364 HydrophobicContact CE-SD 3.68Å; M274-M364 HydrophobicContact SD-SD 4.3Å; M275-M364 HydrophobicContact CG-CE 3.62Å; M275-M364 HydrophobicContact SD-CE 3.44Å; M275-M364 WeakPolarHBondContact SD-CE 3.47Å; M278-M364 HydrophobicContact CE-CE 3.68Å; M278-M364 HydrophobicContact CE-SD 4.27Å; I360-M364 HydrophobicContact CG2-CE 4.19Å; I360-M364 WeakPolarHBondContact O-CG 3.38Å; I360-M364 PolarHBondContact O-N 3.47Å; L361-M364 HydrophobicContact CD1-CE 4.01Å; L361-M364 PolarHBondContact O-N 3.4Å; Y362-M364 PolarHBondContact O-N 3.32Å
365C93.5Very high91.1Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-74-38.1178.2-680000113.1L265 L361 Y362 V391 Y395 I403L265-C365 WeakPolarHBondContact CD2-O 3.38Å; L361-C365 PolarHBondContact O-N 2.95Å; Y362-C365 PolarHBondContact O-N 3.23Å; C365-V391 HydrophobicContact CB-CG1 3.66Å; C365-Y395 HydrophobicContact CB-CD2 4.06Å; C365-Y395 HydrophobicContact CB-CE2 3.73Å; C365-Y395 WeakPolarHBondContact O-CE2 3.01Å; C365-Y395 PolarHBondContact O-OH 3.4Å; C365-I403 HydrophobicContact CB-CD1 4.41Å
366C90.2Very high90.2Very high21 Ų2133.5 Ų33.514%0.14218%0.179CC..Hα-helixtrans-104.8-8.7-170.6-58.90000114.2Y362 K368Y362-C366 HydrophobicContact CD1-CB 4.19Å; Y362-C366 HydrophobicContact CE1-CB 3.71Å; Y362-C366 WeakPolarHBondContact O-CB 3.34Å; Y362-C366 PolarHBondContact O-N 3.32Å; C366-K368 HydrophobicContact CB-CD 4.42Å; C366-K368 HydrophobicContact CB-CG 3.74Å; C366-K368 PolarHBondContact O-N 2.86Å; C366-K368 VanDerWaalsContact O-N 3.13Å
367L90.5Very high89.5Confident52 Ų5237.9 Ų37.927%0.27221%0.207SC..SBendtrans53.625-172.3-55.1-179.8000114.2L259 T262 L265 E363L259-L367 HydrophobicContact CD2-CD2 3.76Å; T262-L367 HydrophobicContact CG2-CD1 3.91Å; T262-L367 HydrophobicContact CG2-CD2 3.94Å; L265-L367 HydrophobicContact CD2-CD1 4.39Å; L265-L367 HydrophobicContact CD2-CG 4.42Å; E363-L367 WeakPolarHBondContact O-CA 3.44Å; E363-L367 PolarHBondContact O-N 3.15Å
368K90.3Very high88.9Confident81 Ų8139.5 Ų39.535%0.35222%0.221SC..SBendtrans-147160.2179.266.3-180-175.8167.30110.1Y362 E363 C366 T389Y362-K368 HydrophobicContact CE1-CG 4.19Å; Y362-K368 WeakPolarHBondContact OH-CE 3.22Å; E363-K368 WeakPolarHBondContact CA-O 3.35Å; C366-K368 HydrophobicContact CB-CD 4.42Å; C366-K368 HydrophobicContact CB-CG 3.74Å; C366-K368 PolarHBondContact O-N 2.86Å; C366-K368 VanDerWaalsContact O-N 3.13Å; K368-T389 WeakPolarHBondContact CE-OG1 3.2Å; K368-T389 PolarHBondContact NZ-OG1 3.49Å
369K90.6Very high88.4Confident46 Ų4639.8 Ų39.820%0.222%0.222CC..  trans-68.4149.1179.7-52.7-59.2-177.5-1750110.3Y336 Y337 E363 E372Y336-K369 HydrophobicContact CD1-CG 4.45Å; Y336-K369 HydrophobicContact CD2-CD 3.94Å; Y336-K369 HydrophobicContact CD2-CG 3.79Å; Y336-K369 HydrophobicContact CE2-CG 4.09Å; Y336-K369 HydrophobicContact CG-CB 4.32Å; Y336-K369 HydrophobicContact CG-CD 4.28Å; Y336-K369 HydrophobicContact CG-CG 3.97Å; Y337-K369 PolarHBondContact OH-NZ 3.16Å; E363-K369 HydrophobicContact CG-CD 4.35Å; E363-K369 IonicContact OE1-NZ 3.14Å; E363-K369 PolarHBondContact OE1-NZ 2.87Å; E363-K369 WeakPolarHBondContact OE2-CD 3.4Å; E363-K369 IonicContact OE2-NZ 3.28Å; E363-K369 PolarHBondContact OE2-NZ 3.31Å; K369-E372 HydrophobicContact CB-CG 3.75Å; K369-E372 HydrophobicContact CG-CG 4.44Å; K369-E372 PolarHBondContact N-OE1 2.98Å
370A90.9Very high87.8Confident9 Ų941.9 Ų41.97%0.07424%0.235CC..SBendtrans-64.6-45.6176.900000111.7Y362 Y388Y362-A370 HydrophobicContact CD1-CB 3.54Å; Y362-A370 HydrophobicContact CD2-CB 4.4Å; Y362-A370 VanDerWaalsContact CE1-CA 3.44Å; Y362-A370 HydrophobicContact CE1-CB 4.12Å; Y362-A370 HydrophobicContact CG-CB 3.7Å; A370-Y388 WeakPolarHBondContact O-CB 3.24Å
371F91.4Very high87.4Confident1 Ų146.8 Ų46.80%0.00426%0.261CS..SBendtrans-120.7126.2179.8-51.9-80.2000108.9Y336 W355 L379 S382 I383 Y388 L407Y336-F371 WeakPolarHBondContact CD1-O 3.31Å; W355-F371 AromaticContact CE2-CE2 3.99Å; W355-F371 AromaticContact CH2-CE2 3.89Å; W355-F371 HydrophobicContact CH2-CE2 3.89Å; W355-F371 AromaticContact CH2-CZ 3.62Å; W355-F371 HydrophobicContact CH2-CZ 3.62Å; W355-F371 HydrophobicContact CZ2-CD2 4.09Å; W355-F371 HydrophobicContact CZ2-CE1 4.47Å; W355-F371 AromaticContact CZ2-CE2 3.25Å; W355-F371 HydrophobicContact CZ2-CE2 3.25Å; W355-F371 AromaticContact CZ2-CZ 3.49Å; W355-F371 HydrophobicContact CZ2-CZ 3.49Å; W355-F371 VanDerWaalsContact CZ2-CZ 3.49Å; F371-L379 VanDerWaalsContact C-CD1 3.44Å; F371-L379 HydrophobicContact CB-CD1 3.76Å; F371-L379 WeakPolarHBondContact O-CD1 3.27Å; F371-S382 WeakPolarHBondContact CD1-O 3.12Å; F371-I383 HydrophobicContact CB-CG1 3.7Å; F371-I383 HydrophobicContact CD1-CG1 4.27Å; F371-I383 HydrophobicContact CD2-CG1 4.02Å; F371-I383 HydrophobicContact CG-CG1 3.72Å; F371-Y388 AromaticContact CE1-CD1 3.75Å; F371-Y388 HydrophobicContact CE1-CD1 3.75Å; F371-Y388 HydrophobicContact CE1-CG 4.21Å; F371-Y388 AromaticContact CZ-CD1 3.72Å; F371-Y388 HydrophobicContact CZ-CD1 3.72Å; F371-Y388 HydrophobicContact CZ-CG 4.29Å; F371-L407 HydrophobicContact CE2-CD2 4.23Å
372E82.7Confident86.9Confident111 Ų11147.6 Ų47.652%0.51927%0.266SS..  trans-131.1155.6176.2-65-177.6167.300108.5K369K369-E372 HydrophobicContact CB-CG 3.75Å; K369-E372 HydrophobicContact CG-CG 4.44Å; K369-E372 PolarHBondContact N-OE1 2.98Å
373G78.3Confident86.6Confident31 Ų3147.6 Ų47.632%0.3227%0.267SS..  trans-163.9148.2175.100000110.6N375G373-N375 PolarHBondContact O-N 3.01Å; G373-N375 VanDerWaalsContact O-N 3.1Å
374D76.7Confident86.2Confident169 Ų16950.7 Ų50.790%0.90428%0.282SS*.SBendtrans-63-18.8-176.6-60.1-35.3000113.2
375N78.5Confident85.8Confident91 Ų9154.3 Ų54.349%0.48730%0.304SS..SBendtrans-152.6169.817654.158.2000110G373 P377 A378 L379G373-N375 PolarHBondContact O-N 3.01Å; G373-N375 VanDerWaalsContact O-N 3.1Å; N375-P377 VanDerWaalsContact OD1-CD 3.27Å; N375-P377 WeakPolarHBondContact OD1-CD 3.47Å; N375-A378 PolarHBondContact O-N 3.24Å; N375-A378 VanDerWaalsContact O-N 3.15Å; N375-A378 WeakPolarHBondContact OD1-CB 3.41Å; N375-A378 PolarHBondContact OD1-N 3.41Å; N375-L379 PolarHBondContact O-N 2.91Å
376L76.2Confident85.5Confident73 Ų7355.7 Ų55.738%0.38231%0.314SS..Hα-helixtrans-56.4-45.2-177.5-177.967.6000112.9P335 A378 L379 V380P335-L376 HydrophobicContact CB-CD1 4Å; P335-L376 HydrophobicContact CG-CD1 3.48Å; P335-L376 VanDerWaalsContact CG-CD1 3.48Å; L376-A378 PolarHBondContact O-N 3.03Å; L376-L379 PolarHBondContact O-N 3.26Å; L376-V380 HydrophobicContact CD1-CG2 4.24Å; L376-V380 HydrophobicContact CG-CG2 4.36Å; L376-V380 WeakPolarHBondContact O-CB 3.4Å; L376-V380 VanDerWaalsContact O-CG2 3.28Å; L376-V380 WeakPolarHBondContact O-CG2 3.42Å; L376-V380 PolarHBondContact O-N 3.29Å
377P80.6Confident85.1Confident95 Ų9557.6 Ų57.662%0.61733%0.331SS*.Hα-helixtrans-57.7-43.5173.3-27.634.7000114.6N375 L379 V380 N381N375-P377 VanDerWaalsContact OD1-CD 3.27Å; N375-P377 WeakPolarHBondContact OD1-CD 3.47Å; P377-L379 VanDerWaalsContact C-N 3.35Å; P377-L379 PolarHBondContact O-N 3.06Å; P377-V380 PolarHBondContact O-N 2.9Å; P377-N381 WeakPolarHBondContact O-CB 3.4Å; P377-N381 PolarHBondContact O-N 3.4Å
378A83.2Confident84.9Confident35 Ų3557.1 Ų57.129%0.28933%0.326SS..Hα-helixtrans-63.7-41.3177.800000111.8N375 L376 N381 S382N375-A378 PolarHBondContact O-N 3.24Å; N375-A378 VanDerWaalsContact O-N 3.15Å; N375-A378 WeakPolarHBondContact OD1-CB 3.41Å; N375-A378 PolarHBondContact OD1-N 3.41Å; L376-A378 PolarHBondContact O-N 3.03Å; A378-N381 PolarHBondContact O-N 3.49Å; A378-S382 WeakPolarHBondContact O-CB 3.22Å; A378-S382 PolarHBondContact O-N 3.39Å
379L86.5Confident84.4Confident6 Ų656 Ų563%0.03133%0.326CS..Hα-helixtrans-63.3-48174.2173.863.4000111.4P335 Y336 F371 N375 L376 P377 N381 S382 I383P335-L379 HydrophobicContact CB-CD2 3.88Å; P335-L379 HydrophobicContact CG-CD2 3.67Å; Y336-L379 HydrophobicContact CD1-CD1 3.89Å; Y336-L379 HydrophobicContact CD1-CD2 3.76Å; Y336-L379 HydrophobicContact CD1-CG 4.5Å; Y336-L379 HydrophobicContact CE1-CD1 4.32Å; Y336-L379 HydrophobicContact CE1-CD2 3.95Å; F371-L379 VanDerWaalsContact C-CD1 3.44Å; F371-L379 HydrophobicContact CB-CD1 3.76Å; F371-L379 WeakPolarHBondContact O-CD1 3.27Å; N375-L379 PolarHBondContact O-N 2.91Å; L376-L379 PolarHBondContact O-N 3.26Å; P377-L379 VanDerWaalsContact C-N 3.35Å; P377-L379 PolarHBondContact O-N 3.06Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.43Å; L379-S382 WeakPolarHBondContact O-CB 2.92Å; L379-S382 PolarHBondContact O-N 3.06Å; L379-S382 VanDerWaalsContact O-N 3.13Å; L379-I383 HydrophobicContact CD1-CD1 4.09Å; L379-I383 HydrophobicContact CD1-CG1 4.37Å; L379-I383 HydrophobicContact CG-CD1 4Å; L379-I383 WeakPolarHBondContact O-CG1 3.42Å; L379-I383 PolarHBondContact O-N 3.29Å
380V85.2Confident84Confident46 Ų4655.7 Ų55.728%0.27933%0.328SS..Hα-helixtrans-59.8-42.8177.6169.90000110.4C343 L376 P377 S382 I383 M384C343-V380 HydrophobicContact CB-CG1 4.11Å; L376-V380 HydrophobicContact CD1-CG2 4.24Å; L376-V380 HydrophobicContact CG-CG2 4.36Å; L376-V380 WeakPolarHBondContact O-CB 3.4Å; L376-V380 VanDerWaalsContact O-CG2 3.28Å; L376-V380 WeakPolarHBondContact O-CG2 3.42Å; L376-V380 PolarHBondContact O-N 3.29Å; P377-V380 PolarHBondContact O-N 2.9Å; V380-S382 VanDerWaalsContact C-N 3.34Å; V380-S382 PolarHBondContact O-N 3.25Å; V380-I383 PolarHBondContact O-N 3.12Å; V380-M384 HydrophobicContact CG1-CG 4Å; V380-M384 WeakPolarHBondContact O-CB 3.12Å; V380-M384 WeakPolarHBondContact O-CG 3.47Å; V380-M384 PolarHBondContact O-N 3.48Å
381N86.8Confident83.5Confident103 Ų10355.6 Ų55.655%0.55133%0.327SS*.Hα-helixtrans-62.3-40.8175.4-174.253000112P377 A378 L379 I383 M384 T385P377-N381 WeakPolarHBondContact O-CB 3.4Å; P377-N381 PolarHBondContact O-N 3.4Å; A378-N381 PolarHBondContact O-N 3.49Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.43Å; N381-I383 VanDerWaalsContact C-N 3.35Å; N381-I383 PolarHBondContact O-N 3.1Å; N381-M384 PolarHBondContact O-N 3.4Å; N381-T385 WeakPolarHBondContact O-CB 3.32Å; N381-T385 WeakPolarHBondContact O-CG2 3.38Å; N381-T385 PolarHBondContact O-N 3.07Å; N381-T385 PolarHBondContact O-OG1 2.93Å
382S87.6Confident82.4Confident16 Ų1658.6 Ų58.611%0.11234%0.34CS..Hα-helixtrans-60.2-43.1174.9-173.10000112F371 A378 L379 V380 T385 C386 A387F371-S382 WeakPolarHBondContact CD1-O 3.12Å; A378-S382 WeakPolarHBondContact O-CB 3.22Å; A378-S382 PolarHBondContact O-N 3.39Å; L379-S382 WeakPolarHBondContact O-CB 2.92Å; L379-S382 PolarHBondContact O-N 3.06Å; L379-S382 VanDerWaalsContact O-N 3.13Å; V380-S382 VanDerWaalsContact C-N 3.34Å; V380-S382 PolarHBondContact O-N 3.25Å; S382-T385 PolarHBondContact O-OG1 2.98Å; S382-C386 PolarHBondContact O-N 2.86Å; S382-C386 VanDerWaalsContact O-N 3.14Å; S382-A387 PolarHBondContact O-N 2.87Å; S382-A387 PolarHBondContact OG-O 3.33Å
383I89.2Confident81.8Confident1 Ų153.7 Ų53.71%0.00532%0.319CS..Hα-helixtrans-64.3-51.3174.9-67.5165.9000111P340 W355 F371 L379 V380 N381 T385 C386 L409P340-I383 HydrophobicContact CB-CG2 4.45Å; P340-I383 HydrophobicContact CG-CG2 3.92Å; W355-I383 HydrophobicContact CZ2-CG2 3.96Å; F371-I383 HydrophobicContact CB-CG1 3.7Å; F371-I383 HydrophobicContact CD1-CG1 4.27Å; F371-I383 HydrophobicContact CD2-CG1 4.02Å; F371-I383 HydrophobicContact CG-CG1 3.72Å; L379-I383 HydrophobicContact CD1-CD1 4.09Å; L379-I383 HydrophobicContact CD1-CG1 4.37Å; L379-I383 HydrophobicContact CG-CD1 4Å; L379-I383 WeakPolarHBondContact O-CG1 3.42Å; L379-I383 PolarHBondContact O-N 3.29Å; V380-I383 PolarHBondContact O-N 3.12Å; N381-I383 VanDerWaalsContact C-N 3.35Å; N381-I383 PolarHBondContact O-N 3.1Å; I383-T385 VanDerWaalsContact C-N 3.26Å; I383-T385 PolarHBondContact O-N 3.01Å; I383-C386 PolarHBondContact O-N 3.09Å; I383-L409 WeakPolarHBondContact O-CD2 3.29Å
384M87Confident81.9Confident78 Ų7857.4 Ų57.438%0.38434%0.338SS..Hα-helixtrans-67.6-23-175.5-67.5-60.9-70.700113.6P340 C343 V380 N381 L409P340-M384 HydrophobicContact CB-SD 3.82Å; C343-M384 HydrophobicContact CB-CG 4.33Å; C343-M384 HydrophobicContact CB-SD 3.73Å; V380-M384 HydrophobicContact CG1-CG 4Å; V380-M384 WeakPolarHBondContact O-CB 3.12Å; V380-M384 WeakPolarHBondContact O-CG 3.47Å; V380-M384 PolarHBondContact O-N 3.48Å; N381-M384 PolarHBondContact O-N 3.4Å; M384-L409 WeakPolarHBondContact O-CD2 3.38Å
385T86.5Confident82.4Confident76 Ų7649.9 Ų49.947%0.46630%0.297SS..THydrogen-bonded Turntrans-97.8-1.9174.757.70000113.3N381 S382 I383 A387N381-T385 WeakPolarHBondContact O-CB 3.32Å; N381-T385 WeakPolarHBondContact O-CG2 3.38Å; N381-T385 PolarHBondContact O-N 3.07Å; N381-T385 PolarHBondContact O-OG1 2.93Å; S382-T385 PolarHBondContact O-OG1 2.98Å; I383-T385 VanDerWaalsContact C-N 3.26Å; I383-T385 PolarHBondContact O-N 3.01Å; T385-A387 PolarHBondContact O-N 3.12Å; T385-A387 WeakPolarHBondContact OG1-CB 3.4Å
386C86.2Confident82.7Confident29 Ų2947 Ų4720%0.19628%0.283CS..THydrogen-bonded Turntrans50.241.5-172-151.40000113.2S382 I383 Y388 L407 L409S382-C386 PolarHBondContact O-N 2.86Å; S382-C386 VanDerWaalsContact O-N 3.14Å; I383-C386 PolarHBondContact O-N 3.09Å; C386-Y388 PolarHBondContact O-N 3.44Å; C386-Y388 VanDerWaalsContact O-N 3.16Å; C386-Y388 VanDerWaalsContact SG-CE1 3.59Å; C386-L407 PolarHBondContact SG-O 2.92Å; C386-L409 HydrophobicContact CB-CD1 4.16Å; C386-L409 HydrophobicContact CB-CD2 3.75Å; C386-L409 HydrophobicContact CB-CG 3.75Å
387A82.3Confident82.8Confident61 Ų6145.1 Ų45.150%0.50428%0.279SS..  trans-90.165.9-174.100000112.2S382 T385S382-A387 PolarHBondContact O-N 2.87Å; S382-A387 PolarHBondContact OG-O 3.33Å; T385-A387 PolarHBondContact O-N 3.12Å; T385-A387 WeakPolarHBondContact OG1-CB 3.4Å
388Y85.5Confident82.9Confident41 Ų4143.9 Ų43.916%0.16127%0.265CS..PPolyproline II helixtrans-102.8149.1171.968.9-83.8000111.6Y362 A370 F371 C386 I403 L407Y362-Y388 AromaticContact CD2-CD2 3.86Å; Y362-Y388 HydrophobicContact CD2-CD2 3.86Å; Y362-Y388 HydrophobicContact CD2-CE2 4.1Å; Y362-Y388 AromaticContact CE2-CD2 3.5Å; Y362-Y388 HydrophobicContact CE2-CD2 3.5Å; Y362-Y388 VanDerWaalsContact CE2-CD2 3.5Å; Y362-Y388 HydrophobicContact CE2-CE2 4.01Å; A370-Y388 WeakPolarHBondContact O-CB 3.24Å; F371-Y388 AromaticContact CE1-CD1 3.75Å; F371-Y388 HydrophobicContact CE1-CD1 3.75Å; F371-Y388 HydrophobicContact CE1-CG 4.21Å; F371-Y388 AromaticContact CZ-CD1 3.72Å; F371-Y388 HydrophobicContact CZ-CD1 3.72Å; F371-Y388 HydrophobicContact CZ-CG 4.29Å; C386-Y388 PolarHBondContact O-N 3.44Å; C386-Y388 VanDerWaalsContact O-N 3.16Å; C386-Y388 VanDerWaalsContact SG-CE1 3.59Å; Y388-I403 HydrophobicContact CE2-CG2 4.4Å; Y388-L407 HydrophobicContact CD1-CD1 4.2Å; Y388-L407 HydrophobicContact CD2-CD1 4.37Å; Y388-L407 HydrophobicContact CE1-CB 3.97Å; Y388-L407 HydrophobicContact CE1-CD1 3.86Å; Y388-L407 HydrophobicContact CE2-CD1 4.03Å; Y388-L407 HydrophobicContact CG-CD1 4.44Å
389T81.5Confident83.1Confident59 Ų5942.6 Ų42.636%0.36225%0.253SS..PPolyproline II helixtrans-70.4129.617551.20000109.6Y362 K368Y362-T389 WeakPolarHBondContact CE2-O 3.42Å; Y362-T389 VanDerWaalsContact CZ-O 3.26Å; Y362-T389 PolarHBondContact OH-O 3.48Å; Y362-T389 PolarHBondContact OH-OG1 3.45Å; K368-T389 WeakPolarHBondContact CE-OG1 3.2Å; K368-T389 PolarHBondContact NZ-OG1 3.49Å
390P80.7Confident83.2Confident38 Ų3844.4 Ų44.425%0.24726%0.261CS..PPolyproline II helixtrans-60.7153.2-180-22.133.5000111.8K392P390-K392 PolarHBondContact O-N 2.59Å
391V81.6Confident83.4Confident8 Ų844.3 Ų44.35%0.04826%0.257CS..PPolyproline II helixtrans-62.9121.4-168.4174.70000111.1Y362 C365 Y395 K400 I403Y362-V391 HydrophobicContact CD2-CG2 3.65Å; Y362-V391 HydrophobicContact CE2-CG2 3.73Å; C365-V391 HydrophobicContact CB-CG1 3.66Å; V391-Y395 HydrophobicContact CG1-CD2 3.77Å; V391-Y395 HydrophobicContact CG1-CE2 4.4Å; V391-K400 HydrophobicContact CB-CG 4.32Å; V391-I403 HydrophobicContact CB-CD1 4.48Å; V391-I403 HydrophobicContact CG1-CD1 4.48Å; V391-I403 HydrophobicContact CG2-CD1 3.49Å; V391-I403 VanDerWaalsContact CG2-CD1 3.49Å; V391-I403 HydrophobicContact CG2-CG2 4.14Å
392K68Low83.6Confident64 Ų6439.6 Ų39.628%0.27823%0.232SC..PPolyproline II helixtrans-91.3142.5176-65.4-172.1178.5179.70109.5P390 E685 E702P390-K392 PolarHBondContact O-N 2.59Å; K392-E685 VanDerWaalsContact CE-CD 3.5Å; K392-E685 WeakPolarHBondContact CE-OE1 3.41Å; K392-E685 VanDerWaalsContact NZ-CD 3.3Å; K392-E685 IonicContact NZ-OE1 3.94Å; K392-E685 PolarHBondContact NZ-OE1 3.44Å; K392-E702 WeakPolarHBondContact CA-OE1 3.47Å; K392-E702 HydrophobicContact CB-CG 4.01Å; K392-E702 WeakPolarHBondContact CB-OE1 3.26Å; K392-E702 WeakPolarHBondContact CB-OE2 3.35Å; K392-E702 VanDerWaalsContact CD-OE2 3.26Å; K392-E702 WeakPolarHBondContact CD-OE2 3.4Å; K392-E702 HydrophobicContact CG-CB 4.28Å; K392-E702 HydrophobicContact CG-CG 3.97Å; K392-E702 WeakPolarHBondContact CG-OE2 3.32Å
393G70.9Confident83.9Confident8 Ų838.9 Ų38.98%0.08223%0.227CC..SBendtrans129.3179.717500000115.1Y395 E702G393-Y395 PolarHBondContact O-N 3.24Å; G393-E702 WeakPolarHBondContact CA-OE1 2.95Å; G393-E702 PolarHBondContact N-OE1 3.01Å
394P80.2Confident84Confident109 Ų10941.1 Ų41.171%0.70824%0.236SC*.SBendtrans-7522.1-177.735.5-37.9000113.6
395Y85.4Confident84.3Confident10 Ų1040.5 Ų40.54%0.03923%0.232CC..  trans-81.3142.7-175.4-55.7-66.5000112.2L265 L266 E268 I271 C365 V391 G393 K400L265-Y395 HydrophobicContact CD1-CE2 4.48Å; L266-Y395 PolarHBondContact N-OH 3.29Å; L266-Y395 VanDerWaalsContact O-CE1 3.25Å; L266-Y395 WeakPolarHBondContact O-CE1 3.44Å; L266-Y395 PolarHBondContact O-OH 2.83Å; E268-Y395 HydrophobicContact CB-CD1 4.06Å; E268-Y395 HydrophobicContact CB-CE1 4.5Å; E268-Y395 HydrophobicContact CG-CD1 4.27Å; E268-Y395 WeakPolarHBondContact OE2-CA 3.42Å; I271-Y395 HydrophobicContact CD1-CD1 4.36Å; I271-Y395 HydrophobicContact CD1-CE1 3.49Å; I271-Y395 VanDerWaalsContact CD1-CE1 3.49Å; C365-Y395 HydrophobicContact CB-CD2 4.06Å; C365-Y395 HydrophobicContact CB-CE2 3.73Å; C365-Y395 WeakPolarHBondContact O-CE2 3.01Å; C365-Y395 PolarHBondContact O-OH 3.4Å; V391-Y395 HydrophobicContact CG1-CD2 3.77Å; V391-Y395 HydrophobicContact CG1-CE2 4.4Å; G393-Y395 PolarHBondContact O-N 3.24Å; Y395-K400 VanDerWaalsContact O-CE 3.29Å; Y395-K400 WeakPolarHBondContact O-CE 3.39Å
396S85.2Confident84.7Confident30 Ų3036.9 Ų36.921%0.2121%0.21CC..  trans-58.7157.717973.60000112.8E268 E398 M399 K400E268-S396 WeakPolarHBondContact OE1-CB 3.26Å; E268-S396 PolarHBondContact OE1-OG 3.31Å; E268-S396 WeakPolarHBondContact OE2-CB 3.48Å; E268-S396 PolarHBondContact OE2-N 3.23Å; E268-S396 PolarHBondContact OE2-OG 3Å; S396-E398 WeakPolarHBondContact CB-OE2 3.19Å; S396-E398 PolarHBondContact O-N 3.13Å; S396-M399 PolarHBondContact O-N 3.37Å; S396-M399 WeakPolarHBondContact OG-CB 3.43Å; S396-M399 PolarHBondContact OG-N 3.44Å; S396-K400 WeakPolarHBondContact O-CG 3.17Å; S396-K400 PolarHBondContact O-N 3.49Å; S396-K400 VanDerWaalsContact O-N 3.14Å
397A78Confident85.1Confident34 Ų3435.6 Ų35.628%0.28120%0.201SC..Hα-helixtrans-60.8-36.317300000110.5K400 M401 T756A397-K400 PolarHBondContact O-N 3.39Å; A397-M401 WeakPolarHBondContact O-CB 3.41Å; A397-M401 VanDerWaalsContact O-CG 3.24Å; A397-M401 WeakPolarHBondContact O-CG 3.3Å; A397-M401 PolarHBondContact O-N 3.41Å; A397-T756 HydrophobicContact CB-CG2 4.03Å
398E83.9Confident85.6Confident69 Ų6935.4 Ų35.432%0.32219%0.189SC..Hα-helixtrans-60.5-48.6178-65.177.6-176.900111.3S396 K400 M401 V402 R820S396-E398 WeakPolarHBondContact CB-OE2 3.19Å; S396-E398 PolarHBondContact O-N 3.13Å; E398-K400 PolarHBondContact O-N 2.94Å; E398-M401 WeakPolarHBondContact O-CB 3.45Å; E398-M401 PolarHBondContact O-N 3.14Å; E398-V402 WeakPolarHBondContact O-CG2 3.48Å; E398-V402 PolarHBondContact O-N 3.45Å; E398-R820 IonicContact OE1-CZ 3.33Å; E398-R820 IonicContact OE1-NH1 3.85Å; E398-R820 PolarHBondContact OE1-NH1 2.82Å; E398-R820 IonicContact OE1-NH2 2.61Å; E398-R820 PolarHBondContact OE1-NH2 2.68Å
399M88Confident85.9Confident9 Ų937.1 Ų37.14%0.04420%0.201CC..Hα-helixtrans-61.8-44175.8-175.56276.600112.1E268 I271 L361 S396 M401 V402 I403 L424E268-M399 HydrophobicContact CG-CB 4.43Å; E268-M399 HydrophobicContact CG-CE 3.61Å; E268-M399 HydrophobicContact CG-CG 4.47Å; I271-M399 HydrophobicContact CB-CE 4.44Å; I271-M399 HydrophobicContact CG2-CE 3.99Å; I271-M399 HydrophobicContact CG2-SD 4.33Å; L361-M399 HydrophobicContact CD1-SD 3.77Å; L361-M399 HydrophobicContact CD2-SD 4.05Å; L361-M399 HydrophobicContact CG-SD 4.34Å; S396-M399 PolarHBondContact O-N 3.37Å; S396-M399 WeakPolarHBondContact OG-CB 3.43Å; S396-M399 PolarHBondContact OG-N 3.44Å; M399-M401 VanDerWaalsContact C-N 3.27Å; M399-M401 PolarHBondContact O-N 3.5Å; M399-V402 PolarHBondContact O-N 3.07Å; M399-I403 PolarHBondContact O-N 2.77Å; M399-L424 HydrophobicContact CE-CD2 4.49Å; M399-L424 HydrophobicContact SD-CD2 4.44Å
400K88.4Confident86.2Confident44 Ų4437.3 Ų37.319%0.19120%0.2CC..Hα-helixtrans-62-35.4176.3-68.2176.6-177.9179.80111.9V391 Y395 S396 A397 E398 R404V391-K400 HydrophobicContact CB-CG 4.32Å; Y395-K400 VanDerWaalsContact O-CE 3.29Å; Y395-K400 WeakPolarHBondContact O-CE 3.39Å; S396-K400 WeakPolarHBondContact O-CG 3.17Å; S396-K400 PolarHBondContact O-N 3.49Å; S396-K400 VanDerWaalsContact O-N 3.14Å; A397-K400 PolarHBondContact O-N 3.39Å; E398-K400 PolarHBondContact O-N 2.94Å; K400-R404 WeakPolarHBondContact O-CG 3.45Å; K400-R404 PolarHBondContact O-N 2.85Å
401M88Confident86.7Confident43 Ų4337 Ų3721%0.21220%0.198CC..Hα-helixtrans-68-44.7174.8-75.2-56.2-60.700111.9A397 E398 M399 I403 R404 E405 T756A397-M401 WeakPolarHBondContact O-CB 3.41Å; A397-M401 VanDerWaalsContact O-CG 3.24Å; A397-M401 WeakPolarHBondContact O-CG 3.3Å; A397-M401 PolarHBondContact O-N 3.41Å; E398-M401 WeakPolarHBondContact O-CB 3.45Å; E398-M401 PolarHBondContact O-N 3.14Å; M399-M401 VanDerWaalsContact C-N 3.27Å; M399-M401 PolarHBondContact O-N 3.5Å; M401-I403 PolarHBondContact O-N 3.04Å; M401-R404 PolarHBondContact O-N 2.8Å; M401-E405 WeakPolarHBondContact O-CG 3.42Å; M401-E405 PolarHBondContact O-N 3.43Å; M401-T756 HydrophobicContact CG-CG2 4.39Å; M401-T756 HydrophobicContact SD-CG2 4.31Å; M401-T756 PolarHBondContact SD-OG1 2.83Å
402V92Very high87.1Confident4 Ų444.7 Ų44.72%0.02423%0.233CC..Hα-helixtrans-54.6-43.5176.8176.50000111.3L361 E398 M399 R404 E405 L406 M423 L424L361-V402 HydrophobicContact CD2-CB 4.3Å; L361-V402 HydrophobicContact CD2-CG1 3.73Å; E398-V402 WeakPolarHBondContact O-CG2 3.48Å; E398-V402 PolarHBondContact O-N 3.45Å; M399-V402 PolarHBondContact O-N 3.07Å; V402-R404 PolarHBondContact O-N 2.81Å; V402-E405 PolarHBondContact O-N 3.05Å; V402-L406 HydrophobicContact CG1-CD1 3.86Å; V402-L406 HydrophobicContact CG1-CG 4.44Å; V402-L406 WeakPolarHBondContact O-CG 3.5Å; V402-L406 PolarHBondContact O-N 3.19Å; V402-M423 HydrophobicContact CB-CE 4.46Å; V402-M423 HydrophobicContact CG2-CB 3.84Å; V402-M423 HydrophobicContact CG2-CE 4.03Å; V402-L424 HydrophobicContact CG1-CD2 4.1Å; V402-L424 HydrophobicContact CG1-CG 4.27Å; V402-L424 HydrophobicContact CG2-CD2 4.25Å; V402-L424 HydrophobicContact CG2-CG 4.46Å
403I93.4Very high88.2Confident1 Ų146.9 Ų46.91%0.00524%0.243CC..Hα-helixtrans-62.2-43.8177.9-67.7167.6000111.5L361 Y362 C365 Y388 V391 M399 M401 L406 L407L361-I403 HydrophobicContact CB-CG1 4.24Å; L361-I403 HydrophobicContact CD2-CD1 4.23Å; L361-I403 HydrophobicContact CD2-CG1 3.44Å; L361-I403 VanDerWaalsContact CD2-CG1 3.44Å; L361-I403 HydrophobicContact CG-CD1 3.85Å; L361-I403 HydrophobicContact CG-CG1 3.49Å; L361-I403 VanDerWaalsContact CG-CG1 3.49Å; Y362-I403 HydrophobicContact CD2-CG2 4.08Å; C365-I403 HydrophobicContact CB-CD1 4.41Å; Y388-I403 HydrophobicContact CE2-CG2 4.4Å; V391-I403 HydrophobicContact CB-CD1 4.48Å; V391-I403 HydrophobicContact CG1-CD1 4.48Å; V391-I403 HydrophobicContact CG2-CD1 3.49Å; V391-I403 VanDerWaalsContact CG2-CD1 3.49Å; V391-I403 HydrophobicContact CG2-CG2 4.14Å; M399-I403 PolarHBondContact O-N 2.77Å; M401-I403 PolarHBondContact O-N 3.04Å; I403-L406 PolarHBondContact O-N 3.31Å; I403-L407 HydrophobicContact CG2-CD1 3.86Å; I403-L407 HydrophobicContact CG2-CG 4.48Å; I403-L407 WeakPolarHBondContact O-CB 2.93Å; I403-L407 WeakPolarHBondContact O-CG 3.43Å; I403-L407 PolarHBondContact O-N 2.83Å
404R91.2Very high89.3Confident49 Ų4946.6 Ų46.619%0.18524%0.239CC..Hα-helixtrans-66.4-37.9178.9-71.4173.1-179.7-157.5-0.2112.9K400 M401 V402 Q408 A740K400-R404 WeakPolarHBondContact O-CG 3.45Å; K400-R404 PolarHBondContact O-N 2.85Å; M401-R404 PolarHBondContact O-N 2.8Å; V402-R404 PolarHBondContact O-N 2.81Å; R404-Q408 PolarHBondContact O-NE2 3.27Å; R404-A740 VanDerWaalsContact CZ-CB 3.43Å; R404-A740 VanDerWaalsContact NH1-N 3.11Å
405E93.2Very high90Very high64 Ų6441.9 Ų41.930%0.29921%0.208SC..Hα-helixtrans-69.6-37.4177-67.8-59.3132.500111.4M401 V402 Q408 R414 P415 M423M401-E405 WeakPolarHBondContact O-CG 3.42Å; M401-E405 PolarHBondContact O-N 3.43Å; V402-E405 PolarHBondContact O-N 3.05Å; E405-Q408 WeakPolarHBondContact O-CG 3.3Å; E405-R414 WeakPolarHBondContact O-CA 3.33Å; E405-P415 HydrophobicContact CB-CG 4.22Å; E405-P415 WeakPolarHBondContact O-CD 3.29Å; E405-M423 HydrophobicContact CB-CE 3.78Å; E405-M423 HydrophobicContact CG-CE 3.57Å
406L95.4Very high90.5Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-71-35174.9-69.1169.8000112.8M275 M354 L361 V402 I403 Q408 R414 P415 A420M275-L406 HydrophobicContact CE-CD1 4.39Å; M354-L406 HydrophobicContact CB-CD2 4.14Å; M354-L406 HydrophobicContact CE-CD2 3.52Å; L361-L406 HydrophobicContact CD2-CD1 4.27Å; V402-L406 HydrophobicContact CG1-CD1 3.86Å; V402-L406 HydrophobicContact CG1-CG 4.44Å; V402-L406 WeakPolarHBondContact O-CG 3.5Å; V402-L406 PolarHBondContact O-N 3.19Å; I403-L406 PolarHBondContact O-N 3.31Å; L406-Q408 PolarHBondContact O-N 3.24Å; L406-R414 WeakPolarHBondContact O-CD 3.2Å; L406-P415 HydrophobicContact CD2-CG 3.82Å; L406-P415 HydrophobicContact CG-CG 4.34Å; L406-A420 HydrophobicContact CD2-CB 4.43Å
407L94.7Very high90.9Very high3 Ų341.6 Ų41.62%0.01621%0.208CC..THydrogen-bonded Turntrans-94.246.3-178.7-62-178.9000113.2W355 F371 C386 Y388 I403W355-L407 HydrophobicContact CD2-CD2 3.98Å; W355-L407 HydrophobicContact CE3-CD2 4.05Å; W355-L407 HydrophobicContact CH2-CD2 4.43Å; W355-L407 HydrophobicContact CZ2-CD2 4.34Å; W355-L407 HydrophobicContact CZ3-CB 4.3Å; W355-L407 HydrophobicContact CZ3-CD2 4.29Å; F371-L407 HydrophobicContact CE2-CD2 4.23Å; C386-L407 PolarHBondContact SG-O 2.92Å; Y388-L407 HydrophobicContact CD1-CD1 4.2Å; Y388-L407 HydrophobicContact CD2-CD1 4.37Å; Y388-L407 HydrophobicContact CE1-CB 3.97Å; Y388-L407 HydrophobicContact CE1-CD1 3.86Å; Y388-L407 HydrophobicContact CE2-CD1 4.03Å; Y388-L407 HydrophobicContact CG-CD1 4.44Å; I403-L407 HydrophobicContact CG2-CD1 3.86Å; I403-L407 HydrophobicContact CG2-CG 4.48Å; I403-L407 WeakPolarHBondContact O-CB 2.93Å; I403-L407 WeakPolarHBondContact O-CG 3.43Å; I403-L407 PolarHBondContact O-N 2.83Å
408Q92.7Very high91.6Very high56 Ų5643.2 Ų43.226%0.26222%0.216SC..  trans-86.2136.7171.9-67.1-68-40.500111.3W355 R404 E405 L406 D410 K413 R414W355-Q408 WeakPolarHBondContact CZ3-O 3.36Å; R404-Q408 PolarHBondContact O-NE2 3.27Å; E405-Q408 WeakPolarHBondContact O-CG 3.3Å; L406-Q408 PolarHBondContact O-N 3.24Å; Q408-D410 VanDerWaalsContact C-N 3.31Å; Q408-D410 PolarHBondContact O-N 3.04Å; Q408-K413 HydrophobicContact CB-CB 4.01Å; Q408-K413 HydrophobicContact CG-CB 4.01Å; Q408-R414 HydrophobicContact CB-CG 3.86Å; Q408-R414 PolarHBondContact O-NE 2.84Å; Q408-R414 PolarHBondContact O-NH2 3.09Å; Q408-R414 VanDerWaalsContact O-NH2 3.08Å
409L91Very high92Very high77 Ų7744.8 Ų44.840%0.40322%0.223SC..SBendtrans-59.8-44175.5-75175.2000111.6P340 I383 M384 C386 P411 R414P340-L409 HydrophobicContact CB-CD2 4.23Å; P340-L409 HydrophobicContact CG-CD2 3.78Å; I383-L409 WeakPolarHBondContact O-CD2 3.29Å; M384-L409 WeakPolarHBondContact O-CD2 3.38Å; C386-L409 HydrophobicContact CB-CD1 4.16Å; C386-L409 HydrophobicContact CB-CD2 3.75Å; C386-L409 HydrophobicContact CB-CG 3.75Å; L409-P411 WeakPolarHBondContact O-CD 3.4Å; L409-R414 PolarHBondContact O-NH2 3.5Å
410D89Confident92.3Very high63 Ų6344.3 Ų44.334%0.33722%0.221SC..SBendtrans-77.6116.6176.4-179.1-4.2000110.4Q408 Q412 K413Q408-D410 VanDerWaalsContact C-N 3.31Å; Q408-D410 PolarHBondContact O-N 3.04Å; D410-Q412 PolarHBondContact O-N 2.92Å; D410-Q412 WeakPolarHBondContact OD1-CB 3.1Å; D410-Q412 PolarHBondContact OD1-N 3.24Å; D410-K413 HydrophobicContact CB-CB 4.44Å; D410-K413 HydrophobicContact CB-CD 4.09Å; D410-K413 HydrophobicContact CB-CG 4.05Å; D410-K413 PolarHBondContact O-N 2.95Å; D410-K413 VanDerWaalsContact O-N 3.15Å
411P90.2Very high92.4Very high32 Ų3243.5 Ų43.521%0.20822%0.218CC..G310 helixtrans-57.4-30.5179-23.534.1000113.6E341 K351 L409 K413 R414E341-P411 HydrophobicContact CB-CG 4.27Å; E341-P411 HydrophobicContact CG-CG 4.18Å; K351-P411 HydrophobicContact CB-CB 3.92Å; K351-P411 WeakPolarHBondContact CD-O 3.4Å; K351-P411 HydrophobicContact CG-CB 4.4Å; K351-P411 VanDerWaalsContact CG-O 3.27Å; K351-P411 WeakPolarHBondContact CG-O 3.49Å; L409-P411 WeakPolarHBondContact O-CD 3.4Å; P411-K413 VanDerWaalsContact C-N 3.28Å; P411-K413 PolarHBondContact O-N 2.75Å; P411-R414 PolarHBondContact O-N 2.85Å
412Q90.5Very high92.4Very high170 Ų17049.5 Ų49.579%0.79424%0.243SC*.G310 helixtrans-69.4-27.4-178-62-172.83.300112.6D410D410-Q412 PolarHBondContact O-N 2.92Å; D410-Q412 WeakPolarHBondContact OD1-CB 3.1Å; D410-Q412 PolarHBondContact OD1-N 3.24Å
413K91.5Very high92.3Very high110 Ų11052.4 Ų52.448%0.47826%0.257SS..G310 helixtrans-79.6-19.6178.6-64.9-174.8-176.1-177.80113.3Q408 D410 P411Q408-K413 HydrophobicContact CB-CB 4.01Å; Q408-K413 HydrophobicContact CG-CB 4.01Å; D410-K413 HydrophobicContact CB-CB 4.44Å; D410-K413 HydrophobicContact CB-CD 4.09Å; D410-K413 HydrophobicContact CB-CG 4.05Å; D410-K413 PolarHBondContact O-N 2.95Å; D410-K413 VanDerWaalsContact O-N 3.15Å; P411-K413 VanDerWaalsContact C-N 3.28Å; P411-K413 PolarHBondContact O-N 2.75Å
414R94.7Very high91.9Very high2 Ų253.3 Ų53.31%0.00826%0.262CS..SBendtrans-67.4141177.8-58.8178-159.1145.88.6109.8E341 K351 E405 L406 Q408 L409 P411E341-R414 VanDerWaalsContact CD-NH1 3.35Å; E341-R414 IonicContact OE1-CZ 3.55Å; E341-R414 IonicContact OE1-NH1 3.76Å; E341-R414 PolarHBondContact OE1-NH1 2.86Å; E341-R414 IonicContact OE1-NH2 3.65Å; E341-R414 IonicContact OE2-CZ 2.65Å; E341-R414 IonicContact OE2-NH1 2.78Å; E341-R414 PolarHBondContact OE2-NH1 2.96Å; E341-R414 IonicContact OE2-NH2 2.72Å; E341-R414 PolarHBondContact OE2-NH2 3.2Å; K351-R414 HydrophobicContact CD-CB 4.32Å; K351-R414 PolarHBondContact NZ-O 3.42Å; K351-R414 WeakPolarHBondContact O-CD 3.39Å; K351-R414 PolarHBondContact O-NH1 3.02Å; E405-R414 WeakPolarHBondContact O-CA 3.33Å; L406-R414 WeakPolarHBondContact O-CD 3.2Å; Q408-R414 HydrophobicContact CB-CG 3.86Å; Q408-R414 PolarHBondContact O-NE 2.84Å; Q408-R414 PolarHBondContact O-NH2 3.09Å; Q408-R414 VanDerWaalsContact O-NH2 3.08Å; L409-R414 PolarHBondContact O-NH2 3.5Å; P411-R414 PolarHBondContact O-N 2.85Å
415P94.8Very high91.2Very high9 Ų958.4 Ų58.46%0.05828%0.281CS..PPolyproline II helixtrans-66.4150.2173.928.1-33.5000110.7M354 E405 L406 Q419 A420 M423M354-P415 WeakPolarHBondContact CG-O 3.22Å; E405-P415 HydrophobicContact CB-CG 4.22Å; E405-P415 WeakPolarHBondContact O-CD 3.29Å; L406-P415 HydrophobicContact CD2-CG 3.82Å; L406-P415 HydrophobicContact CG-CG 4.34Å; P415-Q419 HydrophobicContact CB-CB 3.73Å; P415-A420 HydrophobicContact CG-CB 4.36Å; P415-M423 HydrophobicContact CB-SD 4.16Å; P415-M423 HydrophobicContact CG-SD 4.14Å
416S95Very high89.4Confident34 Ų3459.6 Ų59.624%0.23830%0.295CS..PPolyproline II helixtrans-71.3164.4164.366.10000111Q419 A420S416-Q419 WeakPolarHBondContact O-CA 3.19Å; S416-Q419 WeakPolarHBondContact O-CB 3.42Å; S416-Q419 PolarHBondContact O-N 3.45Å; S416-Q419 WeakPolarHBondContact OG-CG 3.45Å; S416-Q419 PolarHBondContact OG-OE1 3.05Å; S416-A420 PolarHBondContact O-N 3.26Å
417A93.6Very high86.8Confident0 Ų064.7 Ų64.70%033%0.33CS..Hα-helixtrans-55.5-42.4178.500000113.7V282 A283 M354 Q419 A420 L421V282-A417 HydrophobicContact CB-CB 4.38Å; V282-A417 HydrophobicContact CG1-CB 4.11Å; A283-A417 HydrophobicContact CB-CB 3.71Å; M354-A417 HydrophobicContact CE-CB 4.22Å; M354-A417 HydrophobicContact SD-CB 3.75Å; A417-Q419 VanDerWaalsContact C-N 3.34Å; A417-Q419 PolarHBondContact O-N 3.35Å; A417-A420 PolarHBondContact O-N 3.35Å; A417-L421 WeakPolarHBondContact O-CG 3.41Å; A417-L421 PolarHBondContact O-N 3.25Å
418P92.6Very high84.1Confident69 Ų6974 Ų7445%0.44837%0.374SS..Hα-helixtrans-62.8-33.9171.6-25.535.3000114.7A283 K422A283-P418 HydrophobicContact CB-CG 4.22Å; P418-K422 WeakPolarHBondContact O-CG 3.5Å; P418-K422 PolarHBondContact O-N 2.94Å
419Q92.9Very high81.4Confident101 Ų10175.7 Ų75.747%0.47238%0.384SS..Hα-helixtrans-70.2-44.4175.8-72.2170.5-30.100110.8P415 S416 A417 L421 K422 M423P415-Q419 HydrophobicContact CB-CB 3.73Å; S416-Q419 WeakPolarHBondContact O-CA 3.19Å; S416-Q419 WeakPolarHBondContact O-CB 3.42Å; S416-Q419 PolarHBondContact O-N 3.45Å; S416-Q419 WeakPolarHBondContact OG-CG 3.45Å; S416-Q419 PolarHBondContact OG-OE1 3.05Å; A417-Q419 VanDerWaalsContact C-N 3.34Å; A417-Q419 PolarHBondContact O-N 3.35Å; Q419-L421 VanDerWaalsContact C-N 3.32Å; Q419-L421 PolarHBondContact O-N 3.48Å; Q419-K422 WeakPolarHBondContact O-CB 3.29Å; Q419-K422 PolarHBondContact O-N 3.48Å; Q419-K422 VanDerWaalsContact O-N 3.11Å; Q419-M423 WeakPolarHBondContact O-CG 3.37Å; Q419-M423 PolarHBondContact O-N 2.93Å; Q419-M423 VanDerWaalsContact O-N 3.12Å
420A92.7Very high78.5Confident0 Ų081.9 Ų81.90%040%0.402CS..Hα-helixtrans-60.9-39175.800000112.1M354 L406 P415 S416 A417 K422 M423 L424M354-A420 HydrophobicContact CE-CB 3.84Å; L406-A420 HydrophobicContact CD2-CB 4.43Å; P415-A420 HydrophobicContact CG-CB 4.36Å; S416-A420 PolarHBondContact O-N 3.26Å; A417-A420 PolarHBondContact O-N 3.35Å; A420-K422 VanDerWaalsContact C-N 3.31Å; A420-K422 PolarHBondContact O-N 3.25Å; A420-M423 PolarHBondContact O-N 2.93Å; A420-L424 WeakPolarHBondContact O-CG 3.24Å; A420-L424 PolarHBondContact O-N 3.14Å
421L90.9Very high75.8Confident27 Ų2787.1 Ų87.114%0.14143%0.425CS..Hα-helixtrans-58.4-39.4173-79.2171000113I276 C279 A417 Q419 R425I276-L421 HydrophobicContact CB-CD2 4.36Å; I276-L421 HydrophobicContact CG2-CD2 4.04Å; I276-L421 WeakPolarHBondContact O-CD2 3.45Å; C279-L421 HydrophobicContact CB-CD1 4.45Å; C279-L421 HydrophobicContact CB-CD2 3.6Å; C279-L421 HydrophobicContact CB-CG 3.66Å; A417-L421 WeakPolarHBondContact O-CG 3.41Å; A417-L421 PolarHBondContact O-N 3.25Å; Q419-L421 VanDerWaalsContact C-N 3.32Å; Q419-L421 PolarHBondContact O-N 3.48Å; L421-R425 PolarHBondContact O-N 3.41Å
422K89.2Confident72.9Confident169 Ų16996.9 Ų96.974%0.73546%0.457SS*.Hα-helixtrans-67.5-38.2176.3-70.2178-179.9-176.80111.6P418 Q419 A420 R425P418-K422 WeakPolarHBondContact O-CG 3.5Å; P418-K422 PolarHBondContact O-N 2.94Å; Q419-K422 WeakPolarHBondContact O-CB 3.29Å; Q419-K422 PolarHBondContact O-N 3.48Å; Q419-K422 VanDerWaalsContact O-N 3.11Å; A420-K422 VanDerWaalsContact C-N 3.31Å; A420-K422 PolarHBondContact O-N 3.25Å; K422-R425 PolarHBondContact O-N 3.46Å
423M88.5Confident70.1Confident64 Ų6497.8 Ų97.832%0.31546%0.461SS..Hα-helixtrans-68.1-37.3177.8-60.9168.769.300112.4V402 E405 P415 Q419 A420 R425V402-M423 HydrophobicContact CB-CE 4.46Å; V402-M423 HydrophobicContact CG2-CB 3.84Å; V402-M423 HydrophobicContact CG2-CE 4.03Å; E405-M423 HydrophobicContact CB-CE 3.78Å; E405-M423 HydrophobicContact CG-CE 3.57Å; P415-M423 HydrophobicContact CB-SD 4.16Å; P415-M423 HydrophobicContact CG-SD 4.14Å; Q419-M423 WeakPolarHBondContact O-CG 3.37Å; Q419-M423 PolarHBondContact O-N 2.93Å; Q419-M423 VanDerWaalsContact O-N 3.12Å; A420-M423 PolarHBondContact O-N 2.93Å; M423-R425 VanDerWaalsContact C-N 3.33Å
424L85Confident67.2Low20 Ų2097.8 Ų97.811%0.10547%0.47CS..Hα-helixtrans-76.8-14.8179.4-73.7164.4000114.1M275 I276 M399 V402 A420 P426M275-L424 HydrophobicContact CB-CD1 3.65Å; M275-L424 HydrophobicContact CB-CD2 4.13Å; I276-L424 HydrophobicContact CG1-CB 3.97Å; I276-L424 HydrophobicContact CG1-CD1 4.49Å; M399-L424 HydrophobicContact CE-CD2 4.49Å; M399-L424 HydrophobicContact SD-CD2 4.44Å; V402-L424 HydrophobicContact CG1-CD2 4.1Å; V402-L424 HydrophobicContact CG1-CG 4.27Å; V402-L424 HydrophobicContact CG2-CD2 4.25Å; V402-L424 HydrophobicContact CG2-CG 4.46Å; A420-L424 WeakPolarHBondContact O-CG 3.24Å; A420-L424 PolarHBondContact O-N 3.14Å; L424-P426 WeakPolarHBondContact O-CD 3.45Å
425R77Confident64.1Low156 Ų156103.8 Ų103.859%0.58951%0.513SS*.  trans-110.670176.2-66.4-179.4177.4170.7-0.3111.4I276 L421 K422 M423 S427I276-R425 HydrophobicContact CD1-CG 3.74Å; I276-R425 HydrophobicContact CG1-CG 4.23Å; L421-R425 PolarHBondContact O-N 3.41Å; K422-R425 PolarHBondContact O-N 3.46Å; M423-R425 VanDerWaalsContact C-N 3.33Å; R425-S427 PolarHBondContact O-N 3.13Å
426P54.5Low60.9Low90 Ų90106.7 Ų106.758%0.58455%0.545SS*.  trans-56.7137.6166.5-16.528.3000109.5L424 E428L424-P426 WeakPolarHBondContact O-CD 3.45Å; P426-E428 PolarHBondContact O-N 3.13Å
427S41.7Very low57.6Low107 Ų107111.1 Ų111.175%0.74858%0.576SS**  trans-40.7131.3-171.7-610000114.4R425 N429R425-S427 PolarHBondContact O-N 3.13Å; S427-N429 PolarHBondContact O-N 2.84Å
428E38.4Very low54.6Low197 Ų197119.9 Ų119.992%0.92162%0.619SS**SBendtrans-52.941.7-171.2-58.5172.9133.800118.2P426P426-E428 PolarHBondContact O-N 3.13Å
429N35.3Very low51.7Low92 Ų92128.8 Ų128.849%0.49264%0.643SS.*  trans-124.412.3-172.5-85.9-19.7000116S427 S441S427-N429 PolarHBondContact O-N 2.84Å; N429-S441 PolarHBondContact ND2-N 3.21Å; N429-S441 PolarHBondContact ND2-OG 2.69Å
430R30.5Very low49Very low207 Ų207127.6 Ų127.678%0.78165%0.646SS**SBendtrans-119.8115.2175.3-70.5-177.2173.6-175.8-2.9110.1
431H33.3Very low46.9Very low173 Ų173130.3 Ų130.380%0.80167%0.666SS**SBendtrans83.662.1172.7-49.5-57.5000118.9
432R29.3Very low45.1Very low237 Ų237132.6 Ų132.689%0.89468%0.68SS**  trans-13583.5140.1-77.1-167.5177.6172.9-0.1110.5T434R432-T434 PolarHBondContact O-N 2.93Å
433H30.1Very low44.1Very low190 Ų190126.1 Ų126.188%0.8866%0.656SS**  trans-73.781.6160-84.3-69.8000109.2
434T32.1Very low43.8Very low109 Ų109124.2 Ų124.267%0.66965%0.646SS**SBendtrans-147.796.3153.351.10000107.8R432 G436R432-T434 PolarHBondContact O-N 2.93Å; T434-G436 PolarHBondContact O-N 3.23Å
435S27.7Very low43.8Very low128 Ų128123.4 Ų123.490%0.89564%0.642SS**SBendtrans29.690.4149.850.50000116.9
436G28.2Very low44.3Very low71 Ų71117.4 Ų117.473%0.73262%0.623SS**  trans179.6103.4171.100000111.7T434 M438T434-G436 PolarHBondContact O-N 3.23Å; G436-M438 PolarHBondContact O-N 3.31Å; G436-M438 VanDerWaalsContact O-N 3.09Å
437S26.9Very low45.9Very low127 Ų127113.3 Ų113.389%0.88860%0.596SS**  trans-49.7104.5178.3-177.50000113.5
438M29.7Very low48.3Very low184 Ų184108.8 Ų108.891%0.90656%0.563SS**  trans-148.1125.5156.3-77.1-161.484.400109.6G436 S440G436-M438 PolarHBondContact O-N 3.31Å; G436-M438 VanDerWaalsContact O-N 3.09Å; M438-S440 PolarHBondContact O-N 2.99Å
439R31.6Very low50.8Low255 Ų255101.3 Ų101.396%0.96253%0.529SS*.PPolyproline II helixtrans-59.3120.3-172.4-71.8171.7169.9164.7-4.5112.3
440S37.3Very low53.5Low76 Ų7697.2 Ų97.253%0.53151%0.507SS..PPolyproline II helixtrans-64.3150.4171.559.70000111.3M438 V442M438-S440 PolarHBondContact O-N 2.99Å; S440-V442 PolarHBondContact O-N 2.89Å
441S46.9Very low56.3Low58 Ų5891.4 Ų91.441%0.40649%0.489SS..PPolyproline II helixtrans-53.2123.3167.551.80000109.3N429 S443N429-S441 PolarHBondContact ND2-N 3.21Å; N429-S441 PolarHBondContact ND2-OG 2.69Å; S441-S443 PolarHBondContact O-N 3.06Å
442V54.9Low59Low74 Ų7483.3 Ų83.345%0.44845%0.451SS..  trans-80.1109.6-175.1-159.40000108.6S440 F444S440-V442 PolarHBondContact O-N 2.89Å; V442-F444 HydrophobicContact CB-CE1 4.27Å; V442-F444 HydrophobicContact CB-CE2 4.02Å; V442-F444 HydrophobicContact CB-CZ 3.74Å; V442-F444 HydrophobicContact CG1-CD1 3.93Å; V442-F444 HydrophobicContact CG1-CD2 4.47Å; V442-F444 HydrophobicContact CG1-CE1 3.21Å; V442-F444 HydrophobicContact CG1-CE2 3.82Å; V442-F444 HydrophobicContact CG1-CZ 3.15Å
443S68.4Low61.7Low34 Ų3474.8 Ų74.824%0.23843%0.427CS..EExtended strand (participates in β ladder)trans-89.6127.8168.255.80000109S441 S468 M837S441-S443 PolarHBondContact O-N 3.06Å; S443-S468 WeakPolarHBondContact O-CB 3.48Å; S443-M837 WeakPolarHBondContact CA-O 3.5Å
444F81.6Confident64.4Low24 Ų2469.4 Ų69.411%0.10541%0.407CS..EExtended strand (participates in β ladder)trans-112.6139.6173.7-55.1-68.8000109.6V442 R466 I467 D836 M837V442-F444 HydrophobicContact CB-CE1 4.27Å; V442-F444 HydrophobicContact CB-CE2 4.02Å; V442-F444 HydrophobicContact CB-CZ 3.74Å; V442-F444 HydrophobicContact CG1-CD1 3.93Å; V442-F444 HydrophobicContact CG1-CD2 4.47Å; V442-F444 HydrophobicContact CG1-CE1 3.21Å; V442-F444 HydrophobicContact CG1-CE2 3.82Å; V442-F444 HydrophobicContact CG1-CZ 3.15Å; F444-R466 VanDerWaalsContact CD1-C 3.46Å; F444-R466 HydrophobicContact CD1-CB 3.59Å; F444-R466 HydrophobicContact CD1-CG 3.91Å; F444-R466 WeakPolarHBondContact CD1-O 3.43Å; F444-R466 HydrophobicContact CE1-CB 3.48Å; F444-R466 VanDerWaalsContact CE1-CB 3.48Å; F444-R466 HydrophobicContact CE1-CG 3.72Å; F444-R466 HydrophobicContact CE2-CG 4.47Å; F444-R466 HydrophobicContact CG-CB 4.4Å; F444-R466 HydrophobicContact CG-CG 4.31Å; F444-R466 HydrophobicContact CZ-CB 4.27Å; F444-R466 HydrophobicContact CZ-CG 4.02Å; F444-I467 CarbonylContact C-O 3.53Å; F444-I467 WeakPolarHBondContact CA-O 3.25Å; F444-D836 CarbonylContact O-C 3.58Å; F444-D836 WeakPolarHBondContact O-CA 3.17Å; F444-M837 PolarHBondContact N-O 2.97Å; F444-M837 VanDerWaalsContact N-O 3.07Å; F444-M837 PolarHBondContact O-N 3.34Å
445T85.1Confident66.9Low2 Ų264.8 Ų64.81%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-110129.3179.3-45.40000109.5I467 I469 A834 V835 D836T445-I467 PolarHBondContact N-O 2.99Å; T445-I469 HydrophobicContact CG2-CB 3.9Å; T445-I469 HydrophobicContact CG2-CD1 3.91Å; T445-I469 HydrophobicContact CG2-CG1 4.06Å; T445-I469 PolarHBondContact OG1-N 3.23Å; T445-A834 HydrophobicContact CG2-CB 3.82Å; T445-V835 CarbonylContact C-O 3.54Å; T445-V835 WeakPolarHBondContact CA-O 3.34Å; T445-D836 VanDerWaalsContact CB-OD1 3.29Å; T445-D836 WeakPolarHBondContact CB-OD1 3.43Å; T445-D836 WeakPolarHBondContact CG2-OD1 3.35Å; T445-D836 PolarHBondContact OG1-OD1 3.04Å
446T86.3Confident69.7Low30 Ų3060.2 Ų60.218%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-100.7130.2167.9-53.10000109.2Y448 V835T446-Y448 HydrophobicContact CG2-CD2 4.2Å; T446-Y448 HydrophobicContact CG2-CE1 3.94Å; T446-Y448 HydrophobicContact CG2-CE2 3.55Å; T446-V835 PolarHBondContact N-O 2.93Å; T446-V835 PolarHBondContact O-N 2.88Å
447L89.7Confident72.5Confident5 Ų557.4 Ų57.43%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-97.7126.2175.3-167.563.9000110.1I460 L463 I469 V472 V481 H832 A834L447-I460 HydrophobicContact CB-CG1 4.23Å; L447-I460 HydrophobicContact CD2-CG1 4.07Å; L447-I460 HydrophobicContact CG-CG1 4Å; L447-I460 PolarHBondContact O-N 3.44Å; L447-I460 VanDerWaalsContact O-N 3.15Å; L447-L463 HydrophobicContact CB-CD2 3.84Å; L447-L463 HydrophobicContact CD2-CD2 4.13Å; L447-I469 HydrophobicContact CB-CD1 3.78Å; L447-I469 HydrophobicContact CD1-CD1 4.35Å; L447-I469 HydrophobicContact CD2-CD1 4.42Å; L447-I469 HydrophobicContact CG-CD1 4.42Å; L447-V472 HydrophobicContact CD1-CG2 3.78Å; L447-V472 HydrophobicContact CD2-CG1 4.39Å; L447-V472 HydrophobicContact CD2-CG2 4.25Å; L447-V481 HydrophobicContact CD2-CG2 3.65Å; L447-H832 HydrophobicContact CD1-CB 4Å; L447-H832 HydrophobicContact CG-CB 4.49Å; L447-A834 HydrophobicContact CD1-CB 4.01Å
448Y90.5Very high75.3Confident11 Ų1154.4 Ų54.44%0.04329%0.292CS..EExtended strand (participates in β ladder)trans-115.2141177.9-60.9-86.7000110.6T446 L457 S458 H832 V833 V835 L969T446-Y448 HydrophobicContact CG2-CD2 4.2Å; T446-Y448 HydrophobicContact CG2-CE1 3.94Å; T446-Y448 HydrophobicContact CG2-CE2 3.55Å; Y448-L457 HydrophobicContact CD1-CB 4.19Å; Y448-L457 HydrophobicContact CG-CB 4.35Å; Y448-S458 CarbonylContact C-O 3.6Å; Y448-S458 WeakPolarHBondContact CA-O 3.48Å; Y448-H832 CarbonylContact O-C 3.57Å; Y448-H832 VanDerWaalsContact O-CA 3.28Å; Y448-H832 WeakPolarHBondContact O-CA 3.33Å; Y448-V833 PolarHBondContact N-O 3.37Å; Y448-V833 PolarHBondContact O-N 3.43Å; Y448-V835 HydrophobicContact CD2-CG2 4.11Å; Y448-V835 HydrophobicContact CE2-CB 4.12Å; Y448-V835 HydrophobicContact CE2-CG2 4.02Å; Y448-L969 HydrophobicContact CD1-CD2 4.31Å; Y448-L969 HydrophobicContact CE1-CB 4.47Å; Y448-L969 HydrophobicContact CE1-CD1 4.43Å; Y448-L969 HydrophobicContact CE1-CD2 3.75Å; Y448-L969 HydrophobicContact CE1-CG 4.45Å
449D91.2Very high77.9Confident41 Ų4149.2 Ų49.222%0.21927%0.274CS..EExtended strand (participates in β ladder)trans-84.7127.4162.9-167.678.5000108.4L457 S458 I460 H832D449-L457 WeakPolarHBondContact O-CA 3.49Å; D449-S458 PolarHBondContact N-O 3.35Å; D449-S458 PolarHBondContact O-N 3.41Å; D449-I460 HydrophobicContact CB-CD1 3.82Å; D449-H832 IonicContact OD1-CE1 3.71Å; D449-H832 PolarHBondContact OD1-CE1 3.26Å; D449-H832 VanDerWaalsContact OD1-CE1 3.23Å; D449-H832 IonicContact OD1-ND1 3.94Å; D449-H832 PolarHBondContact OD1-ND1 2.89Å
450L91.9Very high80.5Confident6 Ų638 Ų383%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-94.6107.1173.2174.567000109.1V452 I455 L457 L752 L760 I807 V831 V833L450-V452 PolarHBondContact O-N 3.16Å; L450-I455 HydrophobicContact CD1-CG2 4.46Å; L450-L457 HydrophobicContact CB-CD2 3.78Å; L450-L457 HydrophobicContact CD1-CD2 3.82Å; L450-L457 HydrophobicContact CD1-CG 4.32Å; L450-L457 HydrophobicContact CG-CD2 4.38Å; L450-L752 HydrophobicContact CD2-CD1 4.24Å; L450-L752 HydrophobicContact CD2-CD2 4.38Å; L450-L760 HydrophobicContact CD2-CD2 4.48Å; L450-I807 HydrophobicContact CD2-CD1 3.97Å; L450-V831 HydrophobicContact CB-CB 4.03Å; L450-V831 HydrophobicContact CB-CG1 3.97Å; L450-V831 HydrophobicContact CD2-CB 4.42Å; L450-V831 HydrophobicContact CD2-CG1 3.99Å; L450-V831 PolarHBondContact N-O 3.33Å; L450-V833 HydrophobicContact CB-CG2 4.07Å
451H89.8Confident82.5Confident85 Ų8537.9 Ų37.939%0.39423%0.23SC..EExtended strand (participates in β ladder)trans-74.196.5174.4-173.4-113.3000109.9P453 T454 I455 T456H451-P453 VanDerWaalsContact C-CD 3.47Å; H451-T454 PolarHBondContact ND1-OG1 3.3Å; H451-T454 PolarHBondContact O-N 3.24Å; H451-I455 WeakPolarHBondContact O-CA 3.34Å; H451-I455 PolarHBondContact O-N 2.82Å; H451-T456 PolarHBondContact N-O 3.44Å; H451-T456 PolarHBondContact O-N 3.27Å
452V89.3Confident83.9Confident2 Ų240.5 Ų40.51%0.01224%0.24CC..THydrogen-bonded Turntrans-53.2-41.2-173.9178.60000114.3L450 T454 I455 F750 F762 R829 V831L450-V452 PolarHBondContact O-N 3.16Å; V452-T454 VanDerWaalsContact C-N 3.34Å; V452-T454 PolarHBondContact O-N 3.1Å; V452-I455 WeakPolarHBondContact O-CD1 3.4Å; V452-F750 HydrophobicContact CG1-CD1 4.18Å; V452-F750 HydrophobicContact CG1-CE1 4.2Å; V452-F750 HydrophobicContact CG2-CE1 4.14Å; V452-F750 HydrophobicContact CG2-CE2 4.38Å; V452-F750 HydrophobicContact CG2-CZ 3.87Å; V452-F762 HydrophobicContact CG1-CE2 3.74Å; V452-F762 HydrophobicContact CG1-CZ 3.93Å; V452-R829 WeakPolarHBondContact CG2-O 3.34Å; V452-V831 HydrophobicContact CG2-CG2 3.96Å
453P87Confident85.3Confident59 Ų5938.1 Ų38.138%0.38323%0.225SC..THydrogen-bonded Turntrans-60.8-38.3179.6-25.134.5000114.6H451 K766H451-P453 VanDerWaalsContact C-CD 3.47Å; P453-K766 WeakPolarHBondContact CA-O 3.44Å; P453-K766 WeakPolarHBondContact CG-O 2.99Å
454T85.4Confident85.8Confident76 Ų7639.3 Ų39.347%0.46623%0.231SC..THydrogen-bonded Turntrans-104.3-9.2-177.957.80000113.1H451 V452 T456H451-T454 PolarHBondContact ND1-OG1 3.3Å; H451-T454 PolarHBondContact O-N 3.24Å; V452-T454 VanDerWaalsContact C-N 3.34Å; V452-T454 PolarHBondContact O-N 3.1Å; T454-T456 VanDerWaalsContact C-N 3.3Å; T454-T456 PolarHBondContact O-N 3.01Å; T454-T456 PolarHBondContact OG1-OG1 3.37Å
455I86.3Confident85.1Confident13 Ų1342.7 Ų42.77%0.06726%0.258CS..THydrogen-bonded Turntrans54.447.9-173.7-52.4-66.6000110.5L450 H451 V452 F762 K766 I807L450-I455 HydrophobicContact CD1-CG2 4.46Å; H451-I455 WeakPolarHBondContact O-CA 3.34Å; H451-I455 PolarHBondContact O-N 2.82Å; V452-I455 WeakPolarHBondContact O-CD1 3.4Å; I455-F762 HydrophobicContact CD1-CD1 4.21Å; I455-F762 HydrophobicContact CD1-CD2 4.1Å; I455-F762 HydrophobicContact CD1-CE1 4.31Å; I455-F762 HydrophobicContact CD1-CE2 4.17Å; I455-F762 HydrophobicContact CD1-CG 4.13Å; I455-F762 HydrophobicContact CD1-CZ 4.28Å; I455-K766 HydrophobicContact CG1-CD 4.21Å; I455-I807 HydrophobicContact CG2-CB 3.57Å; I455-I807 HydrophobicContact CG2-CD1 3.93Å; I455-I807 HydrophobicContact CG2-CG1 4.37Å; I455-I807 HydrophobicContact CG2-CG2 3.64Å
456T86.2Confident84.5Confident32 Ų3250.2 Ų50.220%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-116.7139.8179.254.70000111.2H451 T454H451-T456 PolarHBondContact N-O 3.44Å; H451-T456 PolarHBondContact O-N 3.27Å; T454-T456 VanDerWaalsContact C-N 3.3Å; T454-T456 PolarHBondContact O-N 3.01Å; T454-T456 PolarHBondContact OG1-OG1 3.37Å
457L86.4Confident84.4Confident12 Ų1249.3 Ų49.36%0.06328%0.28CS..EExtended strand (participates in β ladder)trans-93.2133.5174.6-66.5173.3000111Y448 D449 L450 L808 V833 L969 I982Y448-L457 HydrophobicContact CD1-CB 4.19Å; Y448-L457 HydrophobicContact CG-CB 4.35Å; D449-L457 WeakPolarHBondContact O-CA 3.49Å; L450-L457 HydrophobicContact CB-CD2 3.78Å; L450-L457 HydrophobicContact CD1-CD2 3.82Å; L450-L457 HydrophobicContact CD1-CG 4.32Å; L450-L457 HydrophobicContact CG-CD2 4.38Å; L457-L808 HydrophobicContact CD1-CD1 3.87Å; L457-L808 HydrophobicContact CD1-CD2 4.07Å; L457-V833 HydrophobicContact CD2-CB 4.1Å; L457-V833 HydrophobicContact CD2-CG2 3.87Å; L457-L969 HydrophobicContact CB-CD2 4.37Å; L457-I982 HydrophobicContact CB-CD1 4.27Å; L457-I982 HydrophobicContact CD1-CD1 4.19Å; L457-I982 HydrophobicContact CG-CD1 4.34Å
458S86.6Confident84.3Confident63 Ų6349.8 Ų49.844%0.44128%0.284SS..EExtended strand (participates in β ladder)trans-129.1134171.153.90000110.8Y448 D449Y448-S458 CarbonylContact C-O 3.6Å; Y448-S458 WeakPolarHBondContact CA-O 3.48Å; D449-S458 PolarHBondContact N-O 3.35Å; D449-S458 PolarHBondContact O-N 3.41Å
459S84.3Confident84.3Confident75 Ų7550.1 Ų50.152%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-63.6141.8177.157.30000111.4P461S459-P461 WeakPolarHBondContact O-CD 3.38Å
460I85.2Confident84.2Confident20 Ų2052 Ų5210%0.10329%0.292CS..PPolyproline II helixtrans-67.3123.5173.6-57.8-60.4000110.3L447 D449 L463 F491L447-I460 HydrophobicContact CB-CG1 4.23Å; L447-I460 HydrophobicContact CD2-CG1 4.07Å; L447-I460 HydrophobicContact CG-CG1 4Å; L447-I460 PolarHBondContact O-N 3.44Å; L447-I460 VanDerWaalsContact O-N 3.15Å; D449-I460 HydrophobicContact CB-CD1 3.82Å; I460-L463 HydrophobicContact CG2-CB 4.41Å; I460-F491 HydrophobicContact CD1-CE2 4.4Å; I460-F491 HydrophobicContact CD1-CZ 4.27Å; I460-F491 HydrophobicContact CG1-CZ 4.34Å; I460-F491 HydrophobicContact CG2-CE1 4.03Å; I460-F491 HydrophobicContact CG2-CE2 4.04Å; I460-F491 HydrophobicContact CG2-CZ 3.7Å
461P79.2Confident84.3Confident73 Ų7354.5 Ų54.547%0.47430%0.304SS..THydrogen-bonded Turntrans-60.3144.1179.1-23.833.9000113.8S459 L463 G510S459-P461 WeakPolarHBondContact O-CD 3.38Å; P461-L463 PolarHBondContact O-N 3.07Å; P461-G510 PolarHBondContact O-N 3.14Å
462D77.4Confident84.5Confident113 Ų11351.8 Ų51.860%0.60429%0.293SS*.THydrogen-bonded Turntrans54.55.8178.5-51.5-27.7000117.7N509D462-N509 HydrophobicContact CB-CB 3.81Å; D462-N509 WeakPolarHBondContact OD2-CB 3.49Å; D462-N509 PolarHBondContact OD2-ND2 3.34Å
463L83.5Confident84.8Confident25 Ų2552.1 Ų52.113%0.13130%0.296CS..SBendtrans-69.3130.9168.1-163.468.8000108.5L447 I460 P461 S465 I467 I469 F489L447-L463 HydrophobicContact CB-CD2 3.84Å; L447-L463 HydrophobicContact CD2-CD2 4.13Å; I460-L463 HydrophobicContact CG2-CB 4.41Å; P461-L463 PolarHBondContact O-N 3.07Å; L463-S465 PolarHBondContact O-N 3.27Å; L463-I467 HydrophobicContact CD1-CD1 3.96Å; L463-I467 HydrophobicContact CD2-CD1 3.75Å; L463-I467 HydrophobicContact CG-CD1 3.64Å; L463-I469 HydrophobicContact CD2-CD1 4.32Å; L463-F489 HydrophobicContact CD1-CB 3.95Å; L463-F489 HydrophobicContact CD1-CD1 4.09Å; L463-F489 HydrophobicContact CD1-CG 3.95Å
464P77.8Confident85.2Confident58 Ų5850.3 Ų50.338%0.37728%0.283SS..  trans-63.2133.2-174.4-12.622.4000111.2R466 I467 F489P464-R466 PolarHBondContact O-N 3.3Å; P464-R466 VanDerWaalsContact O-N 3.09Å; P464-I467 HydrophobicContact CB-CG2 3.88Å; P464-I467 HydrophobicContact CG-CG2 4.01Å; P464-I467 WeakPolarHBondContact O-CG1 3.46Å; P464-F489 HydrophobicContact CG-CE1 3.74Å; P464-F489 HydrophobicContact CG-CZ 3.94Å
465S67.8Low85.6Confident95 Ų9546.8 Ų46.866%0.66426%0.262SS*.THydrogen-bonded Turntrans-70.6-6.1-17355.90000115.3L463L463-S465 PolarHBondContact O-N 3.27Å
466R72.7Confident85.8Confident161 Ų16150.9 Ų50.961%0.60828%0.279SS*.THydrogen-bonded Turntrans-124.737.8-176.1-74-173.6-178.8-113-0.3112.4F444 P464F444-R466 VanDerWaalsContact CD1-C 3.46Å; F444-R466 HydrophobicContact CD1-CB 3.59Å; F444-R466 HydrophobicContact CD1-CG 3.91Å; F444-R466 WeakPolarHBondContact CD1-O 3.43Å; F444-R466 HydrophobicContact CE1-CB 3.48Å; F444-R466 VanDerWaalsContact CE1-CB 3.48Å; F444-R466 HydrophobicContact CE1-CG 3.72Å; F444-R466 HydrophobicContact CE2-CG 4.47Å; F444-R466 HydrophobicContact CG-CB 4.4Å; F444-R466 HydrophobicContact CG-CG 4.31Å; F444-R466 HydrophobicContact CZ-CB 4.27Å; F444-R466 HydrophobicContact CZ-CG 4.02Å; P464-R466 PolarHBondContact O-N 3.3Å; P464-R466 VanDerWaalsContact O-N 3.09Å
467I83.8Confident86.2Confident10 Ų1050.1 Ų50.15%0.05128%0.275CS..  trans-95.4153.4169.263.6178.6000110.5F444 T445 L463 P464 I469 T483 F489F444-I467 CarbonylContact C-O 3.53Å; F444-I467 WeakPolarHBondContact CA-O 3.25Å; T445-I467 PolarHBondContact N-O 2.99Å; L463-I467 HydrophobicContact CD1-CD1 3.96Å; L463-I467 HydrophobicContact CD2-CD1 3.75Å; L463-I467 HydrophobicContact CG-CD1 3.64Å; P464-I467 HydrophobicContact CB-CG2 3.88Å; P464-I467 HydrophobicContact CG-CG2 4.01Å; P464-I467 WeakPolarHBondContact O-CG1 3.46Å; I467-I469 HydrophobicContact CD1-CD1 4.05Å; I467-I469 HydrophobicContact CD1-CG1 3.72Å; I467-I469 HydrophobicContact CG1-CD1 4.49Å; I467-I469 HydrophobicContact CG1-CG1 3.96Å; I467-T483 HydrophobicContact CB-CG2 3.88Å; I467-T483 HydrophobicContact CD1-CG2 4.12Å; I467-T483 HydrophobicContact CG1-CG2 4.48Å; I467-T483 HydrophobicContact CG2-CG2 4.17Å; I467-F489 HydrophobicContact CG2-CE2 4.5Å
468S87.5Confident86.7Confident16 Ų1649.6 Ų49.611%0.11227%0.272CS..  trans-106.3112.6166.4-175.60000107.8S443 T483 N484S443-S468 WeakPolarHBondContact O-CB 3.48Å; S468-T483 CarbonylContact O-C 3.47Å; S468-T483 WeakPolarHBondContact O-CA 3.38Å; S468-T483 VanDerWaalsContact O-CB 3.28Å; S468-T483 WeakPolarHBondContact O-CB 3.42Å; S468-N484 PolarHBondContact O-N 3.12Å; S468-N484 PolarHBondContact OG-ND2 2.61Å
469I90.1Very high87.1Confident18 Ų1846.6 Ų46.69%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-82.8127-173.8-63.7174.3000109.4T445 L447 L463 I467 V472 V481T445-I469 HydrophobicContact CG2-CB 3.9Å; T445-I469 HydrophobicContact CG2-CD1 3.91Å; T445-I469 HydrophobicContact CG2-CG1 4.06Å; T445-I469 PolarHBondContact OG1-N 3.23Å; L447-I469 HydrophobicContact CB-CD1 3.78Å; L447-I469 HydrophobicContact CD1-CD1 4.35Å; L447-I469 HydrophobicContact CD2-CD1 4.42Å; L447-I469 HydrophobicContact CG-CD1 4.42Å; L463-I469 HydrophobicContact CD2-CD1 4.32Å; I467-I469 HydrophobicContact CD1-CD1 4.05Å; I467-I469 HydrophobicContact CD1-CG1 3.72Å; I467-I469 HydrophobicContact CG1-CD1 4.49Å; I467-I469 HydrophobicContact CG1-CG1 3.96Å; I469-V472 HydrophobicContact CG2-CG2 3.69Å; I469-V481 HydrophobicContact CB-CG1 4.44Å; I469-V481 HydrophobicContact CD1-CG1 3.8Å; I469-V481 HydrophobicContact CG1-CG1 3.79Å; I469-V481 HydrophobicContact CG2-CG1 3.86Å
470K90.1Very high87.7Confident79 Ų7943 Ų4334%0.34323%0.226SC..EExtended strand (participates in β ladder)trans-88.5-45.1174.6-176.9177.1175.9-176.50111.5L482 N484 I521 Q522K470-L482 WeakPolarHBondContact CA-O 3.48Å; K470-L482 HydrophobicContact CB-CG 4.31Å; K470-L482 WeakPolarHBondContact CB-O 3.48Å; K470-L482 HydrophobicContact CD-CD2 3.95Å; K470-L482 HydrophobicContact CD-CG 4.27Å; K470-L482 HydrophobicContact CG-CD2 4.49Å; K470-L482 PolarHBondContact N-O 3.07Å; K470-N484 WeakPolarHBondContact CB-OD1 3.19Å; K470-I521 PolarHBondContact NZ-O 3.2Å; K470-Q522 VanDerWaalsContact CE-O 3.24Å; K470-Q522 WeakPolarHBondContact CE-O 3.26Å; K470-Q522 PolarHBondContact NZ-O 3.25Å
471Q93.5Very high88.2Confident59 Ų5942 Ų4228%0.27622%0.221SC..EExtended strand (participates in β ladder)trans-151.4143.3-176.1-169.9-175.24.500111.2L482 V524Q471-L482 HydrophobicContact CB-CB 4.26Å; Q471-L482 PolarHBondContact N-O 3.37Å; Q471-L482 VanDerWaalsContact N-O 3.12Å; Q471-L482 PolarHBondContact O-N 2.97Å; Q471-V524 PolarHBondContact NE2-O 2.93Å
472V94.7Very high88.9Confident29 Ų2938.6 Ų38.618%0.17620%0.198CC..EExtended strand (participates in β ladder)trans-118.3118.2169.7-177.60000108.2L447 I469 T479 V481 A825 H832L447-V472 HydrophobicContact CD1-CG2 3.78Å; L447-V472 HydrophobicContact CD2-CG1 4.39Å; L447-V472 HydrophobicContact CD2-CG2 4.25Å; I469-V472 HydrophobicContact CG2-CG2 3.69Å; V472-T479 HydrophobicContact CG1-CG2 4.08Å; V472-V481 HydrophobicContact CG1-CG2 4.46Å; V472-A825 HydrophobicContact CB-CB 4.32Å; V472-A825 HydrophobicContact CG1-CB 4.13Å; V472-H832 HydrophobicContact CG1-CB 4.29Å
473A95.7Very high89.6Confident9 Ų933.2 Ų33.27%0.07417%0.169CC..EExtended strand (participates in β ladder)trans-106.8128.1175.500000109.4T479 M480 V524 V526A473-T479 WeakPolarHBondContact O-CA 3.45Å; A473-M480 PolarHBondContact N-O 3.04Å; A473-M480 PolarHBondContact O-N 3.44Å; A473-V524 HydrophobicContact CB-CG1 3.91Å; A473-V524 HydrophobicContact CB-CG2 4.37Å; A473-V526 HydrophobicContact CB-CB 4.39Å; A473-V526 HydrophobicContact CB-CG1 3.84Å; A473-V526 HydrophobicContact CB-CG2 3.86Å
474L94.3Very high89.8Confident20 Ų2036 Ų3611%0.10519%0.185CC..EExtended strand (participates in β ladder)trans-132.6130.6-168.2-175.862.1000111.7T479 A825 S827 K830L474-T479 HydrophobicContact CD1-CG2 4.15Å; L474-T479 WeakPolarHBondContact CD1-OG1 3.36Å; L474-A825 HydrophobicContact CB-CB 4.22Å; L474-A825 HydrophobicContact CD2-CB 4.3Å; L474-S827 WeakPolarHBondContact O-CB 3.41Å; L474-K830 HydrophobicContact CD1-CD 3.68Å; L474-K830 HydrophobicContact CD1-CG 4.08Å; L474-K830 HydrophobicContact CD2-CB 4.28Å; L474-K830 HydrophobicContact CD2-CG 4.14Å; L474-K830 WeakPolarHBondContact CD2-O 3.36Å
475S94.7Very high90.3Very high2 Ų239 Ų391%0.01420%0.197CC..  trans-126.4-178166.675.40000111.2T477 H478 G527 S827S475-T477 PolarHBondContact O-N 3.44Å; S475-T477 PolarHBondContact OG-N 2.99Å; S475-T477 PolarHBondContact OG-OG1 3.11Å; S475-H478 PolarHBondContact N-O 2.95Å; S475-H478 PolarHBondContact OG-N 3.07Å; S475-H478 PolarHBondContact OG-ND1 2.86Å; S475-G527 WeakPolarHBondContact CB-O 3.45Å; S475-G527 PolarHBondContact OG-O 3.15Å; S475-S827 WeakPolarHBondContact CA-OG 3.42Å
476K91.1Very high91.4Very high99 Ų9936.2 Ų36.243%0.4318%0.175SC..SBendtrans-65-25.5173.3-65.4-164173.6-157.40112.5N528 D748 S827K476-N528 PolarHBondContact N-OD1 3.06Å; K476-D748 IonicContact NZ-OD2 3.23Å; K476-D748 PolarHBondContact NZ-OD2 2.85Å; K476-S827 PolarHBondContact N-OG 2.93Å
477T94.3Very high92.3Very high17 Ų1731.1 Ų31.110%0.10416%0.158CC..SBendtrans-98.5-37.4-172.5720000113S475 D493 N528 Y529S475-T477 PolarHBondContact O-N 3.44Å; S475-T477 PolarHBondContact OG-N 2.99Å; S475-T477 PolarHBondContact OG-OG1 3.11Å; T477-D493 WeakPolarHBondContact O-CB 3.48Å; T477-D493 PolarHBondContact O-N 3.35Å; T477-N528 HydrophobicContact CG2-CB 4.19Å; T477-Y529 HydrophobicContact CG2-CD1 3.91Å; T477-Y529 HydrophobicContact CG2-CD2 4.07Å; T477-Y529 HydrophobicContact CG2-CE1 3.65Å; T477-Y529 HydrophobicContact CG2-CE2 3.82Å; T477-Y529 HydrophobicContact CG2-CG 4.1Å; T477-Y529 PolarHBondContact OG1-N 3.2Å; T477-Y529 VanDerWaalsContact OG1-N 3.16Å
478H95.5Very high92.9Very high0 Ų030.8 Ų30.80%016%0.157CC..EExtended strand (participates in β ladder)trans-153.9171.1-174.567.7-63.3000113.8S475 F491 Q498 L499 G527 F530 S531S475-H478 PolarHBondContact N-O 2.95Å; S475-H478 PolarHBondContact OG-N 3.07Å; S475-H478 PolarHBondContact OG-ND1 2.86Å; H478-F491 WeakPolarHBondContact CA-O 3.29Å; H478-F491 WeakPolarHBondContact CB-O 3.39Å; H478-Q498 HydrophobicContact CB-CG 4.49Å; H478-Q498 PolarHBondContact NE2-O 3.07Å; H478-L499 HydrophobicContact CB-CD2 3.78Å; H478-G527 PolarHBondContact CE1-O 2.92Å; H478-F530 PolarHBondContact CE1-O 3.43Å; H478-F530 VanDerWaalsContact CE1-O 3.26Å; H478-S531 PolarHBondContact NE2-OG 3.36Å
479T96Very high93.2Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-132135.5179.1-55.50000109.4V472 A473 L474 V481 G490 F491 K830 H832V472-T479 HydrophobicContact CG1-CG2 4.08Å; A473-T479 WeakPolarHBondContact O-CA 3.45Å; L474-T479 HydrophobicContact CD1-CG2 4.15Å; L474-T479 WeakPolarHBondContact CD1-OG1 3.36Å; T479-V481 HydrophobicContact CG2-CG2 4.23Å; T479-G490 WeakPolarHBondContact O-CA 3.36Å; T479-F491 HydrophobicContact CG2-CE1 3.76Å; T479-F491 HydrophobicContact CG2-CE2 4.18Å; T479-F491 HydrophobicContact CG2-CZ 3.5Å; T479-F491 PolarHBondContact N-O 3.27Å; T479-F491 PolarHBondContact O-N 3.06Å; T479-K830 PolarHBondContact OG1-NZ 3.5Å; T479-H832 PolarHBondContact OG1-NE2 2.8Å
480M96.2Very high93.5Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-121.9133.8173.4-58.8-68.3-76.200109.1A473 L488 F489 G490 L499 V513 V524 V526 F543A473-M480 PolarHBondContact N-O 3.04Å; A473-M480 PolarHBondContact O-N 3.44Å; M480-L488 HydrophobicContact CB-CD1 4.28Å; M480-L488 HydrophobicContact CE-CD1 4.25Å; M480-L488 HydrophobicContact CE-CD2 3.44Å; M480-L488 VanDerWaalsContact CE-CD2 3.44Å; M480-L488 HydrophobicContact CE-CG 3.73Å; M480-F489 CarbonylContact C-O 3.55Å; M480-F489 VanDerWaalsContact CA-O 3.27Å; M480-F489 WeakPolarHBondContact CA-O 3.49Å; M480-G490 WeakPolarHBondContact SD-CA 3.14Å; M480-L499 HydrophobicContact SD-CD2 3.93Å; M480-V513 HydrophobicContact CE-CG2 4.15Å; M480-V524 HydrophobicContact CB-CG2 3.91Å; M480-V524 HydrophobicContact CG-CG2 4.4Å; M480-V526 HydrophobicContact CB-CG1 3.89Å; M480-V526 HydrophobicContact CG-CG1 3.45Å; M480-V526 VanDerWaalsContact CG-CG1 3.45Å; M480-F543 HydrophobicContact CE-CE2 4.18Å; M480-F543 HydrophobicContact CE-CZ 3.98Å
481V95.5Very high93.7Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-123115-176.8-1790000108.3L447 I469 V472 T479 F489 F491L447-V481 HydrophobicContact CD2-CG2 3.65Å; I469-V481 HydrophobicContact CB-CG1 4.44Å; I469-V481 HydrophobicContact CD1-CG1 3.8Å; I469-V481 HydrophobicContact CG1-CG1 3.79Å; I469-V481 HydrophobicContact CG2-CG1 3.86Å; V472-V481 HydrophobicContact CG1-CG2 4.46Å; T479-V481 HydrophobicContact CG2-CG2 4.23Å; V481-F489 HydrophobicContact CB-CB 4.33Å; V481-F489 PolarHBondContact N-O 2.92Å; V481-F489 PolarHBondContact O-N 2.87Å; V481-F491 HydrophobicContact CG2-CE1 4.04Å
482L94.5Very high93.7Very high0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-96.9129.8176.317762.7000109.2K470 Q471 E487 L488 I521 V524K470-L482 WeakPolarHBondContact CA-O 3.48Å; K470-L482 HydrophobicContact CB-CG 4.31Å; K470-L482 WeakPolarHBondContact CB-O 3.48Å; K470-L482 HydrophobicContact CD-CD2 3.95Å; K470-L482 HydrophobicContact CD-CG 4.27Å; K470-L482 HydrophobicContact CG-CD2 4.49Å; K470-L482 PolarHBondContact N-O 3.07Å; Q471-L482 HydrophobicContact CB-CB 4.26Å; Q471-L482 PolarHBondContact N-O 3.37Å; Q471-L482 VanDerWaalsContact N-O 3.12Å; Q471-L482 PolarHBondContact O-N 2.97Å; L482-E487 WeakPolarHBondContact CA-O 3.41Å; L482-L488 HydrophobicContact CB-CD1 4.1Å; L482-L488 HydrophobicContact CD1-CD1 4.46Å; L482-I521 HydrophobicContact CD1-CB 3.83Å; L482-I521 HydrophobicContact CD1-CG2 3.62Å; L482-I521 HydrophobicContact CD2-CG2 3.89Å; L482-I521 HydrophobicContact CG-CG2 4.41Å; L482-V524 HydrophobicContact CB-CG1 4.03Å
483T92.6Very high93.7Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-92.7163.4175.570.50000111.8I467 S468 D485 N486 E487 F489I467-T483 HydrophobicContact CB-CG2 3.88Å; I467-T483 HydrophobicContact CD1-CG2 4.12Å; I467-T483 HydrophobicContact CG1-CG2 4.48Å; I467-T483 HydrophobicContact CG2-CG2 4.17Å; S468-T483 CarbonylContact O-C 3.47Å; S468-T483 WeakPolarHBondContact O-CA 3.38Å; S468-T483 VanDerWaalsContact O-CB 3.28Å; S468-T483 WeakPolarHBondContact O-CB 3.42Å; T483-D485 PolarHBondContact O-N 3.12Å; T483-D485 PolarHBondContact OG1-N 3.42Å; T483-N486 PolarHBondContact O-N 3.11Å; T483-E487 HydrophobicContact CG2-CB 4.47Å; T483-E487 PolarHBondContact N-O 3.08Å; T483-E487 WeakPolarHBondContact OG1-CB 3.25Å; T483-E487 PolarHBondContact OG1-N 3.17Å; T483-E487 VanDerWaalsContact OG1-N 3.08Å; T483-E487 PolarHBondContact OG1-O 3.41Å; T483-F489 HydrophobicContact CG2-CD2 4.02Å; T483-F489 HydrophobicContact CG2-CE2 3.72Å
484N88Confident93.7Very high85 Ų8524.6 Ų24.646%0.45513%0.128SC..THydrogen-bonded Turntrans-65.8-18.2172.6-79.1-36.8000112.9S468 K470 N486S468-N484 PolarHBondContact O-N 3.12Å; S468-N484 PolarHBondContact OG-ND2 2.61Å; K470-N484 WeakPolarHBondContact CB-OD1 3.19Å; N484-N486 PolarHBondContact O-N 3.41Å
485D87.9Confident93.8Very high119 Ų11926.5 Ų26.564%0.63614%0.143SC*.THydrogen-bonded Turntrans-85.813.4172-58-45000112.3T483 E487T483-D485 PolarHBondContact O-N 3.12Å; T483-D485 PolarHBondContact OG1-N 3.42Å; D485-E487 PolarHBondContact O-N 3.4Å
486N90.7Very high93.8Very high37 Ų3727.4 Ų27.420%0.19815%0.149CC..SBendtrans60.123.1-178.7-59.6-30.9000114.7T483 N484 D520 I521T483-N486 PolarHBondContact O-N 3.11Å; N484-N486 PolarHBondContact O-N 3.41Å; N486-D520 PolarHBondContact ND2-OD1 3.33Å; N486-I521 PolarHBondContact OD1-O 3.11Å; N486-I521 VanDerWaalsContact OD1-O 3.13Å
487E92.8Very high94Very high55 Ų5522.7 Ų22.726%0.25713%0.128SC..  trans-87.8136.6172.9-64.1-166.7139.600110.4L482 T483 D485 F489 L512L482-E487 WeakPolarHBondContact CA-O 3.41Å; T483-E487 HydrophobicContact CG2-CB 4.47Å; T483-E487 PolarHBondContact N-O 3.08Å; T483-E487 WeakPolarHBondContact OG1-CB 3.25Å; T483-E487 PolarHBondContact OG1-N 3.17Å; T483-E487 VanDerWaalsContact OG1-N 3.08Å; T483-E487 PolarHBondContact OG1-O 3.41Å; D485-E487 PolarHBondContact O-N 3.4Å; E487-F489 HydrophobicContact CB-CE2 3.81Å; E487-L512 HydrophobicContact CB-CD1 3.75Å; E487-L512 HydrophobicContact CG-CD1 4.22Å
488L95Very high94.1Very high3 Ų321.9 Ų21.92%0.01612%0.123CC..EExtended strand (participates in β ladder)trans-112.3120.8-178.3-171.467.9000110.6M480 L482 V513 L516 I521 V524 I533M480-L488 HydrophobicContact CB-CD1 4.28Å; M480-L488 HydrophobicContact CE-CD1 4.25Å; M480-L488 HydrophobicContact CE-CD2 3.44Å; M480-L488 VanDerWaalsContact CE-CD2 3.44Å; M480-L488 HydrophobicContact CE-CG 3.73Å; L482-L488 HydrophobicContact CB-CD1 4.1Å; L482-L488 HydrophobicContact CD1-CD1 4.46Å; L488-V513 PolarHBondContact O-N 3.37Å; L488-L516 HydrophobicContact CD2-CD1 3.74Å; L488-I521 HydrophobicContact CB-CD1 3.94Å; L488-I521 HydrophobicContact CD2-CD1 4.38Å; L488-V524 HydrophobicContact CD1-CB 4.24Å; L488-V524 HydrophobicContact CD1-CG1 4.15Å; L488-V524 HydrophobicContact CD1-CG2 4.22Å; L488-I533 HydrophobicContact CD2-CD1 3.34Å; L488-I533 HydrophobicContact CD2-CG1 4.1Å
489F94.8Very high94.2Very high12 Ų1221.9 Ų21.95%0.05312%0.123CC..EExtended strand (participates in β ladder)trans-106.4142.2175.5-62.7-101.6000110.1L463 P464 I467 M480 V481 T483 E487 R511 L512L463-F489 HydrophobicContact CD1-CB 3.95Å; L463-F489 HydrophobicContact CD1-CD1 4.09Å; L463-F489 HydrophobicContact CD1-CG 3.95Å; P464-F489 HydrophobicContact CG-CE1 3.74Å; P464-F489 HydrophobicContact CG-CZ 3.94Å; I467-F489 HydrophobicContact CG2-CE2 4.5Å; M480-F489 CarbonylContact C-O 3.55Å; M480-F489 VanDerWaalsContact CA-O 3.27Å; M480-F489 WeakPolarHBondContact CA-O 3.49Å; V481-F489 HydrophobicContact CB-CB 4.33Å; V481-F489 PolarHBondContact N-O 2.92Å; V481-F489 PolarHBondContact O-N 2.87Å; T483-F489 HydrophobicContact CG2-CD2 4.02Å; T483-F489 HydrophobicContact CG2-CE2 3.72Å; E487-F489 HydrophobicContact CB-CE2 3.81Å; F489-R511 CarbonylContact C-O 3.55Å; F489-R511 WeakPolarHBondContact CA-O 3.22Å; F489-L512 HydrophobicContact CD1-CB 4.15Å; F489-L512 HydrophobicContact CE1-CB 3.86Å; F489-L512 HydrophobicContact CE1-CD1 4.3Å; F489-L512 HydrophobicContact CE2-CD1 4.11Å; F489-L512 HydrophobicContact CZ-CB 4.35Å; F489-L512 HydrophobicContact CZ-CD1 3.98Å
490G95Very high94.1Very high0 Ų021.9 Ų21.90%012%0.123CC..EExtended strand (participates in β ladder)trans-136.6142.8-179.600000112.8T479 M480 R511T479-G490 WeakPolarHBondContact O-CA 3.36Å; M480-G490 WeakPolarHBondContact SD-CA 3.14Å; G490-R511 PolarHBondContact N-O 3.12Å; G490-R511 PolarHBondContact O-N 3.48Å
491F94.9Very high94Very high12 Ų1224 Ų245%0.05313%0.133CC..EExtended strand (participates in β ladder)trans-155.7158.2174.658.9-82.9000112.2I460 H478 T479 V481 N509I460-F491 HydrophobicContact CD1-CE2 4.4Å; I460-F491 HydrophobicContact CD1-CZ 4.27Å; I460-F491 HydrophobicContact CG1-CZ 4.34Å; I460-F491 HydrophobicContact CG2-CE1 4.03Å; I460-F491 HydrophobicContact CG2-CE2 4.04Å; I460-F491 HydrophobicContact CG2-CZ 3.7Å; H478-F491 WeakPolarHBondContact CA-O 3.29Å; H478-F491 WeakPolarHBondContact CB-O 3.39Å; T479-F491 HydrophobicContact CG2-CE1 3.76Å; T479-F491 HydrophobicContact CG2-CE2 4.18Å; T479-F491 HydrophobicContact CG2-CZ 3.5Å; T479-F491 PolarHBondContact N-O 3.27Å; T479-F491 PolarHBondContact O-N 3.06Å; V481-F491 HydrophobicContact CG2-CE1 4.04Å; F491-N509 WeakPolarHBondContact CB-O 3.42Å
492G94.3Very high93.9Very high13 Ų1325.9 Ų25.913%0.13415%0.151CC..EExtended strand (participates in β ladder)trans118.6-156.8-175.900000113K506 M507G492-K506 VanDerWaalsContact O-CG 3.3Å; G492-K506 WeakPolarHBondContact O-CG 3.49Å; G492-M507 PolarHBondContact N-O 2.88Å; G492-M507 PolarHBondContact O-N 3.2Å
493D94.9Very high93.8Very high43 Ų4329.6 Ų29.623%0.2317%0.168CC..  trans-62.6145.2173.1-174.320.4000110.9T477 S495 Q498 Y529T477-D493 WeakPolarHBondContact O-CB 3.48Å; T477-D493 PolarHBondContact O-N 3.35Å; D493-S495 VanDerWaalsContact CG-OG 3.31Å; D493-S495 WeakPolarHBondContact OD1-CB 3.23Å; D493-S495 PolarHBondContact OD1-N 2.84Å; D493-S495 PolarHBondContact OD1-OG 2.89Å; D493-S495 PolarHBondContact OD2-OG 3.37Å; D493-Q498 VanDerWaalsContact O-CD 3.27Å; D493-Q498 WeakPolarHBondContact O-CG 3.27Å; D493-Q498 PolarHBondContact O-NE2 3Å; D493-Q498 PolarHBondContact OD2-NE2 3.25Å; D493-Y529 VanDerWaalsContact OD2-CE1 3.24Å; D493-Y529 WeakPolarHBondContact OD2-CE1 2.98Å
494N95.8Very high93.9Very high0 Ų035 Ų350%019%0.191CC..  trans-140.619.8-179.4-164.731.2000112.2C496 G497 Q498 L499 K503 F504 S505N494-C496 PolarHBondContact O-N 3.37Å; N494-C496 VanDerWaalsContact O-N 3.15Å; N494-G497 PolarHBondContact O-N 3.26Å; N494-G497 WeakPolarHBondContact OD1-CA 3.43Å; N494-Q498 VanDerWaalsContact CA-CD 3.43Å; N494-Q498 PolarHBondContact OD1-N 2.87Å; N494-L499 HydrophobicContact CB-CB 4.47Å; N494-L499 HydrophobicContact CB-CD1 3.64Å; N494-L499 HydrophobicContact CB-CG 3.92Å; N494-L499 WeakPolarHBondContact OD1-CB 3.35Å; N494-L499 PolarHBondContact OD1-N 3.26Å; N494-K503 PolarHBondContact ND2-O 2.64Å; N494-F504 CarbonylContact C-O 3.58Å; N494-F504 CarbonylContact O-C 3.09Å; N494-F504 VanDerWaalsContact O-C 3.28Å; N494-F504 VanDerWaalsContact O-CA 3.23Å; N494-F504 WeakPolarHBondContact O-CA 3.32Å; N494-S505 WeakPolarHBondContact CB-O 3.49Å; N494-S505 PolarHBondContact ND2-O 2.9Å
495S95.7Very high94.1Very high60 Ų6033.8 Ų33.842%0.4219%0.19SC..THydrogen-bonded Turntrans-54.6-28.9-177.251.80000114.8D493 F504D493-S495 VanDerWaalsContact CG-OG 3.31Å; D493-S495 WeakPolarHBondContact OD1-CB 3.23Å; D493-S495 PolarHBondContact OD1-N 2.84Å; D493-S495 PolarHBondContact OD1-OG 2.89Å; D493-S495 PolarHBondContact OD2-OG 3.37Å; S495-F504 WeakPolarHBondContact O-CD1 3.4Å
496C95.4Very high94.3Very high21 Ų2134.5 Ų34.514%0.14219%0.187CC..THydrogen-bonded Turntrans-104.95.3174.7-67.50000113.3N494 G544N494-C496 PolarHBondContact O-N 3.37Å; N494-C496 VanDerWaalsContact O-N 3.15Å; C496-G544 CarbonylContact O-C 3.07Å; C496-G544 VanDerWaalsContact O-CA 3.23Å; C496-G544 WeakPolarHBondContact O-CA 3.21Å
497G95.1Very high94.4Very high0 Ų033.3 Ų33.30%018%0.181CC..SBendtrans82.215.2-176.800000114.3N494 L499 G500N494-G497 PolarHBondContact O-N 3.26Å; N494-G497 WeakPolarHBondContact OD1-CA 3.43Å; G497-L499 PolarHBondContact O-N 2.98Å; G497-G500 PolarHBondContact O-N 3.39Å
498Q96.7Very high94Very high0 Ų037.8 Ų37.80%020%0.201CC..THydrogen-bonded Turntrans-64.8-4.8-174.365.4-94.634.300116H478 D493 N494 Y529 S531 F543H478-Q498 HydrophobicContact CB-CG 4.49Å; H478-Q498 PolarHBondContact NE2-O 3.07Å; D493-Q498 VanDerWaalsContact O-CD 3.27Å; D493-Q498 WeakPolarHBondContact O-CG 3.27Å; D493-Q498 PolarHBondContact O-NE2 3Å; D493-Q498 PolarHBondContact OD2-NE2 3.25Å; N494-Q498 VanDerWaalsContact CA-CD 3.43Å; N494-Q498 PolarHBondContact OD1-N 2.87Å; Q498-Y529 VanDerWaalsContact CB-C 3.44Å; Q498-Y529 WeakPolarHBondContact CB-O 3.38Å; Q498-S531 WeakPolarHBondContact O-CB 3.23Å; Q498-S531 PolarHBondContact O-OG 3.19Å; Q498-F543 VanDerWaalsContact O-CD2 3.31Å; Q498-F543 WeakPolarHBondContact O-CD2 3.29Å; Q498-F543 WeakPolarHBondContact O-CE2 3.42Å
499L95.9Very high93.6Very high0 Ų040 Ų400%021%0.213CC..THydrogen-bonded Turntrans-95.8-9.3173.3-61179.9000113.6H478 M480 N494 G497 F501 M507 V513 F543H478-L499 HydrophobicContact CB-CD2 3.78Å; M480-L499 HydrophobicContact SD-CD2 3.93Å; N494-L499 HydrophobicContact CB-CB 4.47Å; N494-L499 HydrophobicContact CB-CD1 3.64Å; N494-L499 HydrophobicContact CB-CG 3.92Å; N494-L499 WeakPolarHBondContact OD1-CB 3.35Å; N494-L499 PolarHBondContact OD1-N 3.26Å; G497-L499 PolarHBondContact O-N 2.98Å; L499-F501 VanDerWaalsContact C-N 3.32Å; L499-F501 HydrophobicContact CB-CD2 3.37Å; L499-F501 HydrophobicContact CB-CE2 3.46Å; L499-F501 VanDerWaalsContact CB-CE2 3.46Å; L499-F501 HydrophobicContact CB-CG 4.46Å; L499-F501 HydrophobicContact CD1-CD2 4.06Å; L499-F501 HydrophobicContact CD1-CE2 3.8Å; L499-F501 HydrophobicContact CG-CD2 4.36Å; L499-F501 HydrophobicContact CG-CE2 4.2Å; L499-F501 PolarHBondContact O-N 3.17Å; L499-M507 HydrophobicContact CD1-CB 3.66Å; L499-M507 HydrophobicContact CD1-CG 3.56Å; L499-V513 WeakPolarHBondContact O-CG2 3.21Å; L499-F543 VanDerWaalsContact C-CE2 3.44Å
500G94.4Very high93.2Very high0 Ų039.6 Ų39.60%021%0.213CC..  trans7711.3173.300000115.5G497 G502 S515 F543 A559G497-G500 PolarHBondContact O-N 3.39Å; G500-G502 VanDerWaalsContact C-N 3.26Å; G500-G502 PolarHBondContact O-N 3.43Å; G500-S515 PolarHBondContact O-OG 2.82Å; G500-F543 VanDerWaalsContact CA-CD2 3.46Å; G500-A559 CarbonylContact C-O 3.51Å; G500-A559 VanDerWaalsContact CA-O 3.24Å; G500-A559 WeakPolarHBondContact CA-O 3.44Å
501F93.8Very high93.1Very high45 Ų4546.2 Ų46.220%0.19724%0.238CC..SBendtrans-79.45.3-177.6-66.5-63.6000115.2L499 K503 M507 R511 L512 V513 A559L499-F501 VanDerWaalsContact C-N 3.32Å; L499-F501 HydrophobicContact CB-CD2 3.37Å; L499-F501 HydrophobicContact CB-CE2 3.46Å; L499-F501 VanDerWaalsContact CB-CE2 3.46Å; L499-F501 HydrophobicContact CB-CG 4.46Å; L499-F501 HydrophobicContact CD1-CD2 4.06Å; L499-F501 HydrophobicContact CD1-CE2 3.8Å; L499-F501 HydrophobicContact CG-CD2 4.36Å; L499-F501 HydrophobicContact CG-CE2 4.2Å; L499-F501 PolarHBondContact O-N 3.17Å; F501-K503 HydrophobicContact CB-CG 3.96Å; F501-K503 PolarHBondContact O-N 2.9Å; F501-M507 HydrophobicContact CB-CE 4.12Å; F501-M507 HydrophobicContact CD1-CE 3.99Å; F501-M507 HydrophobicContact CD2-CE 3.25Å; F501-M507 HydrophobicContact CD2-CG 3.88Å; F501-M507 HydrophobicContact CD2-SD 4.49Å; F501-M507 HydrophobicContact CE1-CE 4.19Å; F501-M507 HydrophobicContact CE2-CB 4.48Å; F501-M507 HydrophobicContact CE2-CE 3.51Å; F501-M507 HydrophobicContact CE2-CG 3.73Å; F501-M507 HydrophobicContact CG-CE 3.53Å; F501-M507 HydrophobicContact CZ-CE 3.99Å; F501-R511 HydrophobicContact CE1-CB 4.04Å; F501-R511 HydrophobicContact CZ-CB 3.74Å; F501-R511 WeakPolarHBondContact CZ-O 3.21Å; F501-L512 WeakPolarHBondContact CE1-O 3.39Å; F501-V513 HydrophobicContact CD1-CG2 4.43Å; F501-V513 HydrophobicContact CE1-CB 4.27Å; F501-V513 HydrophobicContact CE1-CG2 3.79Å; F501-V513 HydrophobicContact CZ-CG2 3.93Å; F501-A559 PolarHBondContact N-O 2.86Å
502G93.1Very high92.9Very high38 Ų3847.6 Ų47.639%0.39225%0.246SC..SBendtrans70.313.7-174.200000114.6G500 A559G500-G502 VanDerWaalsContact C-N 3.26Å; G500-G502 PolarHBondContact O-N 3.43Å; G502-A559 VanDerWaalsContact CA-O 3.28Å; G502-A559 WeakPolarHBondContact CA-O 3.48Å; G502-A559 PolarHBondContact N-O 2.75Å
503K93.1Very high92.9Very high78 Ų7847.1 Ų47.134%0.33924%0.24SC..SBendtrans-141.9165.5178.364.3-176.3-172.7169.10110.7N494 F501 S505 M507N494-K503 PolarHBondContact ND2-O 2.64Å; F501-K503 HydrophobicContact CB-CG 3.96Å; F501-K503 PolarHBondContact O-N 2.9Å; K503-S505 WeakPolarHBondContact CD-OG 3.41Å; K503-S505 WeakPolarHBondContact CE-OG 3.38Å; K503-M507 PolarHBondContact NZ-SD 3.34Å; K503-M507 VanDerWaalsContact NZ-SD 3.39Å
504F94.3Very high92.7Very high113 Ų11352.6 Ų52.650%0.49626%0.264SS..  trans-107.69-177.7-61.8-88.8000113.9N494 S495 A559N494-F504 CarbonylContact C-O 3.58Å; N494-F504 CarbonylContact O-C 3.09Å; N494-F504 VanDerWaalsContact O-C 3.28Å; N494-F504 VanDerWaalsContact O-CA 3.23Å; N494-F504 WeakPolarHBondContact O-CA 3.32Å; S495-F504 WeakPolarHBondContact O-CD1 3.4Å; F504-A559 HydrophobicContact CD1-CB 4.44Å; F504-A559 HydrophobicContact CD2-CB 4.35Å; F504-A559 HydrophobicContact CE1-CB 4.06Å; F504-A559 HydrophobicContact CE2-CB 3.96Å; F504-A559 HydrophobicContact CZ-CB 3.81Å
505S93.2Very high92.4Very high60 Ų6056 Ų5642%0.4229%0.288SS..  trans-82.8136.1179.651.50000111.9N494 K503N494-S505 WeakPolarHBondContact CB-O 3.49Å; N494-S505 PolarHBondContact ND2-O 2.9Å; K503-S505 WeakPolarHBondContact CD-OG 3.41Å; K503-S505 WeakPolarHBondContact CE-OG 3.38Å
506K92.6Very high92.2Very high134 Ų13453.4 Ų53.458%0.58327%0.27SS*.  trans-52.2142.9174-174.5-178.4-179.3-171.80110.7G492G492-K506 VanDerWaalsContact O-CG 3.3Å; G492-K506 WeakPolarHBondContact O-CG 3.49Å
507M92.1Very high91.8Very high13 Ų1358.9 Ų58.96%0.06429%0.291CS..EExtended strand (participates in β ladder)trans-118.6114.7175.7-61.5-71-133.700108.8G492 L499 F501 K503G492-M507 PolarHBondContact N-O 2.88Å; G492-M507 PolarHBondContact O-N 3.2Å; L499-M507 HydrophobicContact CD1-CB 3.66Å; L499-M507 HydrophobicContact CD1-CG 3.56Å; F501-M507 HydrophobicContact CB-CE 4.12Å; F501-M507 HydrophobicContact CD1-CE 3.99Å; F501-M507 HydrophobicContact CD2-CE 3.25Å; F501-M507 HydrophobicContact CD2-CG 3.88Å; F501-M507 HydrophobicContact CD2-SD 4.49Å; F501-M507 HydrophobicContact CE1-CE 4.19Å; F501-M507 HydrophobicContact CE2-CB 4.48Å; F501-M507 HydrophobicContact CE2-CE 3.51Å; F501-M507 HydrophobicContact CE2-CG 3.73Å; F501-M507 HydrophobicContact CG-CE 3.53Å; F501-M507 HydrophobicContact CZ-CE 3.99Å; K503-M507 PolarHBondContact NZ-SD 3.34Å; K503-M507 VanDerWaalsContact NZ-SD 3.39Å
508E84.3Confident91.2Very high148 Ų14862.8 Ų62.869%0.69233%0.331SS*.EExtended strand (participates in β ladder)trans-76.8-32.7-177.9-61.7-170152.100112.3
509N85.5Confident90.7Very high49 Ų4968.6 Ų68.626%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-115.7154.2-173.1-47.8-30.5000111.6D462 F491 R511D462-N509 HydrophobicContact CB-CB 3.81Å; D462-N509 WeakPolarHBondContact OD2-CB 3.49Å; D462-N509 PolarHBondContact OD2-ND2 3.34Å; F491-N509 WeakPolarHBondContact CB-O 3.42Å; N509-R511 PolarHBondContact O-N 2.81Å
510G87.5Confident90.3Very high5 Ų571.7 Ų71.75%0.05237%0.37CS..EExtended strand (participates in β ladder)trans-62.3114.5-178.800000112.4P461P461-G510 PolarHBondContact O-N 3.14Å
511R91.7Very high90.3Very high138 Ų13871.7 Ų71.752%0.52137%0.37SS..EExtended strand (participates in β ladder)trans-121.9144.1178.7-70.6-169.8179.4-151.41.8112.5F489 G490 F501 N509F489-R511 CarbonylContact C-O 3.55Å; F489-R511 WeakPolarHBondContact CA-O 3.22Å; G490-R511 PolarHBondContact N-O 3.12Å; G490-R511 PolarHBondContact O-N 3.48Å; F501-R511 HydrophobicContact CE1-CB 4.04Å; F501-R511 HydrophobicContact CZ-CB 3.74Å; F501-R511 WeakPolarHBondContact CZ-O 3.21Å; N509-R511 PolarHBondContact O-N 2.81Å
512L92.5Very high90.1Very high42 Ų4273.3 Ų73.322%0.2238%0.378CS..EExtended strand (participates in β ladder)trans-67.3127.8175.7-179.868.1000111E487 F489 F501 E514 K517E487-L512 HydrophobicContact CB-CD1 3.75Å; E487-L512 HydrophobicContact CG-CD1 4.22Å; F489-L512 HydrophobicContact CD1-CB 4.15Å; F489-L512 HydrophobicContact CE1-CB 3.86Å; F489-L512 HydrophobicContact CE1-CD1 4.3Å; F489-L512 HydrophobicContact CE2-CD1 4.11Å; F489-L512 HydrophobicContact CZ-CB 4.35Å; F489-L512 HydrophobicContact CZ-CD1 3.98Å; F501-L512 WeakPolarHBondContact CE1-O 3.39Å; L512-E514 PolarHBondContact O-N 2.88Å; L512-K517 HydrophobicContact CD2-CD 4.35Å
513V93.4Very high90.1Very high2 Ų271.9 Ų71.91%0.01236%0.362CS..  trans-78.984.7174.4-172.10000109.4M480 L488 L499 F501 S515 L516M480-V513 HydrophobicContact CE-CG2 4.15Å; L488-V513 PolarHBondContact O-N 3.37Å; L499-V513 WeakPolarHBondContact O-CG2 3.21Å; F501-V513 HydrophobicContact CD1-CG2 4.43Å; F501-V513 HydrophobicContact CE1-CB 4.27Å; F501-V513 HydrophobicContact CE1-CG2 3.79Å; F501-V513 HydrophobicContact CZ-CG2 3.93Å; V513-S515 PolarHBondContact O-N 3.41Å; V513-S515 VanDerWaalsContact O-N 3.1Å; V513-L516 HydrophobicContact CB-CD1 4.23Å; V513-L516 HydrophobicContact CG1-CD1 3.73Å; V513-L516 HydrophobicContact CG1-CG 4.08Å; V513-L516 PolarHBondContact O-N 2.85Å
514E90.6Very high90.3Very high158 Ų15868.2 Ų68.274%0.73835%0.346SS*.G310 helixtrans-54.7-33.3-171.9-65.5-175174.100114.3L512 L516 K517L512-E514 PolarHBondContact O-N 2.88Å; E514-L516 PolarHBondContact O-N 3.48Å; E514-L516 VanDerWaalsContact O-N 3.08Å; E514-K517 WeakPolarHBondContact O-CB 3.48Å; E514-K517 PolarHBondContact O-N 2.8Å; E514-K517 VanDerWaalsContact O-N 3.11Å
515S90.2Very high90.4Very high73 Ų7363.1 Ų63.151%0.5133%0.326SS..G310 helixtrans-64.3-13.6179.558.30000114.4G500 V513G500-S515 PolarHBondContact O-OG 2.82Å; V513-S515 PolarHBondContact O-N 3.41Å; V513-S515 VanDerWaalsContact O-N 3.1Å
516L91.2Very high90.6Very high4 Ų460.7 Ų60.72%0.02131%0.308CS..G310 helixtrans-110.3-1.6179.8-63.7170.5000112.8L488 V513 E514 G518 R519 I521 I533 L541 P561L488-L516 HydrophobicContact CD2-CD1 3.74Å; V513-L516 HydrophobicContact CB-CD1 4.23Å; V513-L516 HydrophobicContact CG1-CD1 3.73Å; V513-L516 HydrophobicContact CG1-CG 4.08Å; V513-L516 PolarHBondContact O-N 2.85Å; E514-L516 PolarHBondContact O-N 3.48Å; E514-L516 VanDerWaalsContact O-N 3.08Å; L516-G518 PolarHBondContact O-N 2.79Å; L516-R519 WeakPolarHBondContact O-CB 3.14Å; L516-R519 PolarHBondContact O-N 2.94Å; L516-R519 VanDerWaalsContact O-N 3.12Å; L516-I521 HydrophobicContact CB-CD1 4.16Å; L516-I533 HydrophobicContact CD1-CD1 3.17Å; L516-I533 HydrophobicContact CD2-CD1 4.34Å; L516-I533 HydrophobicContact CG-CD1 4.37Å; L516-L541 HydrophobicContact CD2-CD1 3.52Å; L516-P561 HydrophobicContact CD1-CG 4.05Å; L516-P561 HydrophobicContact CD2-CB 3.94Å; L516-P561 HydrophobicContact CD2-CG 3.82Å; L516-P561 HydrophobicContact CG-CG 3.96Å
517K87.2Confident90.8Very high137 Ų13754.4 Ų54.460%0.59628%0.281SS*.THydrogen-bonded Turntrans-58.8131.5179.5-171.1175.7-174.3171.80110.6L512 E514 R519L512-K517 HydrophobicContact CD2-CD 4.35Å; E514-K517 WeakPolarHBondContact O-CB 3.48Å; E514-K517 PolarHBondContact O-N 2.8Å; E514-K517 VanDerWaalsContact O-N 3.11Å; K517-R519 VanDerWaalsContact C-N 3.31Å
518G81Confident90.9Very high82 Ų8254.6 Ų54.685%0.84528%0.282SS*.THydrogen-bonded Turntrans82.4-0.7-179.600000115.1L516L516-G518 PolarHBondContact O-N 2.79Å
519R87.5Confident91.5Very high122 Ų12252 Ų5246%0.4627%0.267SS..SBendtrans-78.5144.4165.2-65.9-174.2178.3-99.30.2109.6L516 K517 I521L516-R519 WeakPolarHBondContact O-CB 3.14Å; L516-R519 PolarHBondContact O-N 2.94Å; L516-R519 VanDerWaalsContact O-N 3.12Å; K517-R519 VanDerWaalsContact C-N 3.31Å; R519-I521 VanDerWaalsContact C-N 3.33Å; R519-I521 HydrophobicContact CB-CG1 4.23Å; R519-I521 PolarHBondContact O-N 3.29Å
520D87.9Confident92.1Very high64 Ų6449.6 Ų49.634%0.34225%0.254SS..  trans-83.579.7176.9-173.919.7000109.9N486 Q522 C535 D536N486-D520 PolarHBondContact ND2-OD1 3.33Å; D520-Q522 VanDerWaalsContact CG-NE2 3.3Å; D520-Q522 PolarHBondContact O-N 2.91Å; D520-Q522 PolarHBondContact OD1-NE2 3.49Å; D520-Q522 PolarHBondContact OD2-NE2 3.22Å; D520-C535 CarbonylContact O-C 3.32Å; D520-C535 WeakPolarHBondContact O-CA 3.16Å; D520-D536 HydrophobicContact CB-CB 3.89Å; D520-D536 PolarHBondContact O-N 3.48Å; D520-D536 WeakPolarHBondContact OD2-CB 3.37Å
521I93.1Very high92.6Very high1 Ų149.4 Ų49.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-76.3120-177-59172.9000110.1K470 L482 N486 L488 L516 R519 I533K470-I521 PolarHBondContact NZ-O 3.2Å; L482-I521 HydrophobicContact CD1-CB 3.83Å; L482-I521 HydrophobicContact CD1-CG2 3.62Å; L482-I521 HydrophobicContact CD2-CG2 3.89Å; L482-I521 HydrophobicContact CG-CG2 4.41Å; N486-I521 PolarHBondContact OD1-O 3.11Å; N486-I521 VanDerWaalsContact OD1-O 3.13Å; L488-I521 HydrophobicContact CB-CD1 3.94Å; L488-I521 HydrophobicContact CD2-CD1 4.38Å; L516-I521 HydrophobicContact CB-CD1 4.16Å; R519-I521 VanDerWaalsContact C-N 3.33Å; R519-I521 HydrophobicContact CB-CG1 4.23Å; R519-I521 PolarHBondContact O-N 3.29Å; I521-I533 HydrophobicContact CB-CG2 4.39Å; I521-I533 HydrophobicContact CD1-CG2 4.34Å; I521-I533 HydrophobicContact CG1-CG2 4.07Å; I521-I533 HydrophobicContact CG2-CG2 3.58Å
522Q90.5Very high92.9Very high78 Ų7842.8 Ų42.836%0.36423%0.227SC..EExtended strand (participates in β ladder)trans-88.6-47.6-179.4-64.4-55.4-28.800112.7K470 D520 C534K470-Q522 VanDerWaalsContact CE-O 3.24Å; K470-Q522 WeakPolarHBondContact CE-O 3.26Å; K470-Q522 PolarHBondContact NZ-O 3.25Å; D520-Q522 VanDerWaalsContact CG-NE2 3.3Å; D520-Q522 PolarHBondContact O-N 2.91Å; D520-Q522 PolarHBondContact OD1-NE2 3.49Å; D520-Q522 PolarHBondContact OD2-NE2 3.22Å; Q522-C534 PolarHBondContact N-O 3.03Å
523S93.7Very high93.1Very high8 Ų840.8 Ų40.86%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-150.3161177.866.40000112.6C534 D574S523-C534 PolarHBondContact N-O 2.82Å; S523-C534 PolarHBondContact O-N 2.94Å; S523-D574 WeakPolarHBondContact CB-OD1 3.34Å; S523-D574 PolarHBondContact OG-OD1 2.75Å
524V96.2Very high93.1Very high1 Ų140.8 Ų40.81%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-131.4136.5177.857.60000110.3Q471 A473 M480 L482 L488 V526 I533Q471-V524 PolarHBondContact NE2-O 2.93Å; A473-V524 HydrophobicContact CB-CG1 3.91Å; A473-V524 HydrophobicContact CB-CG2 4.37Å; M480-V524 HydrophobicContact CB-CG2 3.91Å; M480-V524 HydrophobicContact CG-CG2 4.4Å; L482-V524 HydrophobicContact CB-CG1 4.03Å; L488-V524 HydrophobicContact CD1-CB 4.24Å; L488-V524 HydrophobicContact CD1-CG1 4.15Å; L488-V524 HydrophobicContact CD1-CG2 4.22Å; V524-V526 HydrophobicContact CG2-CG1 4.43Å; V524-I533 HydrophobicContact CG2-CG1 4.39Å
525G96.5Very high93.2Very high7 Ų733.5 Ų33.57%0.07218%0.183CC..EExtended strand (participates in β ladder)trans-125.6135174.500000110.2V532G525-V532 PolarHBondContact N-O 3.41Å; G525-V532 PolarHBondContact O-N 2.66Å
526V97.2Very high92.9Very high9 Ų933 Ų336%0.05517%0.174CC..EExtended strand (participates in β ladder)trans-122.5138.1178.6-58.20000111.3A473 M480 V524 S531 C577A473-V526 HydrophobicContact CB-CB 4.39Å; A473-V526 HydrophobicContact CB-CG1 3.84Å; A473-V526 HydrophobicContact CB-CG2 3.86Å; M480-V526 HydrophobicContact CB-CG1 3.89Å; M480-V526 HydrophobicContact CG-CG1 3.45Å; M480-V526 VanDerWaalsContact CG-CG1 3.45Å; V524-V526 HydrophobicContact CG2-CG1 4.43Å; V526-S531 WeakPolarHBondContact CG1-OG 3.5Å; V526-C577 VanDerWaalsContact C-CB 3.42Å; V526-C577 VanDerWaalsContact O-CB 3.24Å; V526-C577 WeakPolarHBondContact O-CB 3.39Å
527G96.7Very high92.4Very high1 Ų143.3 Ų43.31%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-116.2-166.7166.600000111.3S475 H478 Y529 F530 G578S475-G527 WeakPolarHBondContact CB-O 3.45Å; S475-G527 PolarHBondContact OG-O 3.15Å; H478-G527 PolarHBondContact CE1-O 2.92Å; G527-Y529 PolarHBondContact O-N 2.74Å; G527-F530 PolarHBondContact N-O 3.1Å; G527-G578 WeakPolarHBondContact CA-O 3.36Å
528N95.2Very high92.1Very high17 Ų1737.1 Ų37.19%0.09119%0.188CC..THydrogen-bonded Turntrans-74.8116.2173.5-66.7-23000108.5K476 T477 F530 H579K476-N528 PolarHBondContact N-OD1 3.06Å; T477-N528 HydrophobicContact CG2-CB 4.19Å; N528-F530 VanDerWaalsContact C-N 3.3Å; N528-F530 WeakPolarHBondContact O-CD1 3.44Å; N528-F530 PolarHBondContact O-N 2.76Å; N528-H579 WeakPolarHBondContact CB-O 3.36Å; N528-H579 PolarHBondContact N-O 3.31Å; N528-H579 WeakPolarHBondContact ND2-CB 3.29Å; N528-H579 VanDerWaalsContact ND2-CG 3.32Å; N528-H579 PolarHBondContact ND2-ND1 3.3Å
529Y97.1Very high92.6Very high93 Ų9335 Ų3537%0.36516%0.159SC..THydrogen-bonded Turntrans67.615.9178.1-46.3-81.8000116.1T477 D493 Q498 G527 G544 T545T477-Y529 HydrophobicContact CG2-CD1 3.91Å; T477-Y529 HydrophobicContact CG2-CD2 4.07Å; T477-Y529 HydrophobicContact CG2-CE1 3.65Å; T477-Y529 HydrophobicContact CG2-CE2 3.82Å; T477-Y529 HydrophobicContact CG2-CG 4.1Å; T477-Y529 PolarHBondContact OG1-N 3.2Å; T477-Y529 VanDerWaalsContact OG1-N 3.16Å; D493-Y529 VanDerWaalsContact OD2-CE1 3.24Å; D493-Y529 WeakPolarHBondContact OD2-CE1 2.98Å; Q498-Y529 VanDerWaalsContact CB-C 3.44Å; Q498-Y529 WeakPolarHBondContact CB-O 3.38Å; G527-Y529 PolarHBondContact O-N 2.74Å; Y529-G544 CarbonylContact O-C 3.45Å; Y529-G544 VanDerWaalsContact O-CA 3.3Å; Y529-G544 WeakPolarHBondContact O-CA 3.38Å; Y529-T545 WeakPolarHBondContact O-CG2 3.45Å; Y529-T545 PolarHBondContact O-N 3.27Å
530F97.7Very high92.9Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-149.3158170.671.3-84.3000112.9H478 G527 N528 V532 F543 T545 N548 L549 C577 V582H478-F530 PolarHBondContact CE1-O 3.43Å; H478-F530 VanDerWaalsContact CE1-O 3.26Å; G527-F530 PolarHBondContact N-O 3.1Å; N528-F530 VanDerWaalsContact C-N 3.3Å; N528-F530 WeakPolarHBondContact O-CD1 3.44Å; N528-F530 PolarHBondContact O-N 2.76Å; F530-V532 HydrophobicContact CD2-CG2 4.03Å; F530-V532 HydrophobicContact CE2-CG2 4.11Å; F530-F543 CarbonylContact C-O 3.53Å; F530-F543 WeakPolarHBondContact CA-O 3.31Å; F530-T545 HydrophobicContact CB-CG2 4.2Å; F530-T545 HydrophobicContact CD1-CG2 4.32Å; F530-N548 HydrophobicContact CB-CB 4.21Å; F530-N548 HydrophobicContact CD1-CB 3.32Å; F530-N548 HydrophobicContact CD2-CB 4.03Å; F530-N548 HydrophobicContact CE1-CB 3.58Å; F530-N548 HydrophobicContact CE2-CB 4.27Å; F530-N548 HydrophobicContact CG-CB 3.56Å; F530-N548 HydrophobicContact CZ-CB 4.06Å; F530-L549 HydrophobicContact CB-CD2 4.19Å; F530-C577 HydrophobicContact CE2-CB 4.18Å; F530-C577 HydrophobicContact CZ-CB 4.33Å; F530-V582 HydrophobicContact CD2-CG2 4.36Å; F530-V582 HydrophobicContact CE2-CG2 3.38Å; F530-V582 HydrophobicContact CZ-CG2 3.82Å
531S97.8Very high93.3Very high0 Ų026.5 Ų26.50%012%0.122CC..EExtended strand (participates in β ladder)trans-132.1145.9176.3-89.60000110.4H478 Q498 V526 T542 F543H478-S531 PolarHBondContact NE2-OG 3.36Å; Q498-S531 WeakPolarHBondContact O-CB 3.23Å; Q498-S531 PolarHBondContact O-OG 3.19Å; V526-S531 WeakPolarHBondContact CG1-OG 3.5Å; S531-T542 WeakPolarHBondContact O-CA 3.12Å; S531-F543 VanDerWaalsContact CB-CZ 3.41Å; S531-F543 PolarHBondContact N-O 2.94Å; S531-F543 PolarHBondContact O-N 3.11Å
532V97.4Very high93.5Very high0 Ų026.4 Ų26.40%012%0.122CC..EExtended strand (participates in β ladder)trans-129.2135.4176.5-1750000107.8G525 F530 L540 L541 T542 I575 V582G525-V532 PolarHBondContact N-O 3.41Å; G525-V532 PolarHBondContact O-N 2.66Å; F530-V532 HydrophobicContact CD2-CG2 4.03Å; F530-V532 HydrophobicContact CE2-CG2 4.11Å; V532-L540 HydrophobicContact CG1-CD1 4.47Å; V532-L541 CarbonylContact C-O 3.36Å; V532-L541 WeakPolarHBondContact CA-O 3.33Å; V532-T542 HydrophobicContact CB-CG2 4.42Å; V532-T542 HydrophobicContact CG1-CG2 4.03Å; V532-T542 HydrophobicContact CG2-CG2 4.03Å; V532-I575 HydrophobicContact CB-CD1 3.81Å; V532-I575 HydrophobicContact CG1-CD1 3.63Å; V532-I575 HydrophobicContact CG1-CG2 4.35Å; V532-I575 WeakPolarHBondContact O-CD1 3.5Å; V532-V582 HydrophobicContact CG2-CG1 4.35Å; V532-V582 HydrophobicContact CG2-CG2 4.08Å
533I96.6Very high93.8Very high0 Ų022.7 Ų22.70%011%0.105CC..EExtended strand (participates in β ladder)trans-123.2130.9-179.9-61179000108.2L488 L516 I521 V524 L540 L541 F543L488-I533 HydrophobicContact CD2-CD1 3.34Å; L488-I533 HydrophobicContact CD2-CG1 4.1Å; L516-I533 HydrophobicContact CD1-CD1 3.17Å; L516-I533 HydrophobicContact CD2-CD1 4.34Å; L516-I533 HydrophobicContact CG-CD1 4.37Å; I521-I533 HydrophobicContact CB-CG2 4.39Å; I521-I533 HydrophobicContact CD1-CG2 4.34Å; I521-I533 HydrophobicContact CG1-CG2 4.07Å; I521-I533 HydrophobicContact CG2-CG2 3.58Å; V524-I533 HydrophobicContact CG2-CG1 4.39Å; I533-L540 CarbonylContact O-C 3.47Å; I533-L540 VanDerWaalsContact O-CA 3.3Å; I533-L540 WeakPolarHBondContact O-CA 3.48Å; I533-L541 HydrophobicContact CB-CB 4.3Å; I533-L541 PolarHBondContact N-O 3.43Å; I533-L541 PolarHBondContact O-N 3.46Å; I533-F543 HydrophobicContact CD1-CE1 3.45Å; I533-F543 VanDerWaalsContact CD1-CE1 3.45Å; I533-F543 HydrophobicContact CD1-CZ 3.78Å; I533-F543 HydrophobicContact CG1-CE1 3.83Å; I533-F543 HydrophobicContact CG1-CZ 4.2Å
534C94.3Very high93.9Very high2 Ų222.3 Ų22.31%0.01410%0.102CC..EExtended strand (participates in β ladder)trans-98.3120.2167.4-168.20000109.3Q522 S523 L540 I575Q522-C534 PolarHBondContact N-O 3.03Å; S523-C534 PolarHBondContact N-O 2.82Å; S523-C534 PolarHBondContact O-N 2.94Å; C534-L540 HydrophobicContact CB-CD2 3.65Å; C534-I575 HydrophobicContact CB-CD1 4.43Å; C534-I575 HydrophobicContact CB-CG1 4.37Å
535C91.3Very high94Very high4 Ų423 Ų233%0.02711%0.106CC..EExtended strand (participates in β ladder)trans-95.4178.6172.7-63.90000110.9D520 G538 T539D520-C535 CarbonylContact O-C 3.32Å; D520-C535 WeakPolarHBondContact O-CA 3.16Å; C535-G538 PolarHBondContact O-N 3.19Å; C535-T539 PolarHBondContact N-O 2.85Å
536D84.4Confident93.9Very high62 Ų6223.4 Ų23.433%0.33211%0.109SC..G310 helixtrans-51.4151.4169.572-41.2000112.3D520 G538 T539D520-D536 HydrophobicContact CB-CB 3.89Å; D520-D536 PolarHBondContact O-N 3.48Å; D520-D536 WeakPolarHBondContact OD2-CB 3.37Å; D536-G538 PolarHBondContact O-N 3.3Å; D536-G538 VanDerWaalsContact O-N 3.14Å; D536-T539 PolarHBondContact O-N 3.09Å
537R80.6Confident93.7Very high222 Ų22226.7 Ų26.784%0.83812%0.122SC*.G310 helixtrans59.920.1-177.8-48.5177.2179.3-169.7-4114.4T539R537-T539 VanDerWaalsContact C-N 3.34Å; R537-T539 PolarHBondContact O-N 3.26Å
538G81.6Confident93.7Very high7 Ų726.6 Ų26.67%0.07212%0.122CC..G310 helixtrans77.414.1175.200000114.9C535 D536 I572C535-G538 PolarHBondContact O-N 3.19Å; D536-G538 PolarHBondContact O-N 3.3Å; D536-G538 VanDerWaalsContact O-N 3.14Å; G538-I572 WeakPolarHBondContact CA-O 3.39Å; G538-I572 WeakPolarHBondContact O-CG1 3.27Å
539T90.6Very high93.7Very high36 Ų3625.8 Ų25.822%0.22112%0.117CC..  trans-73.1129.3-179.5-54.90000110.9C535 D536 R537 L563 L568C535-T539 PolarHBondContact N-O 2.85Å; D536-T539 PolarHBondContact O-N 3.09Å; R537-T539 VanDerWaalsContact C-N 3.34Å; R537-T539 PolarHBondContact O-N 3.26Å; T539-L563 HydrophobicContact CG2-CD1 3.22Å; T539-L568 HydrophobicContact CG2-CD2 4.33Å
540L95.4Very high93.5Very high2 Ų221.4 Ų21.41%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-103.1133.6178.5-61.1-167.9000113.1V532 I533 C534 L564 L567 I572 I575 W594V532-L540 HydrophobicContact CG1-CD1 4.47Å; I533-L540 CarbonylContact O-C 3.47Å; I533-L540 VanDerWaalsContact O-CA 3.3Å; I533-L540 WeakPolarHBondContact O-CA 3.48Å; C534-L540 HydrophobicContact CB-CD2 3.65Å; L540-L564 HydrophobicContact CB-CB 4.16Å; L540-L564 HydrophobicContact CB-CD2 4.39Å; L540-L564 HydrophobicContact CD1-CD2 4.31Å; L540-L564 PolarHBondContact O-N 3.17Å; L540-L567 HydrophobicContact CD1-CD1 3.89Å; L540-I572 HydrophobicContact CD1-CG1 4.29Å; L540-I572 HydrophobicContact CD1-CG2 4.49Å; L540-I572 HydrophobicContact CD2-CB 4.43Å; L540-I572 HydrophobicContact CD2-CG2 4.08Å; L540-I572 HydrophobicContact CG-CG1 4.21Å; L540-I575 HydrophobicContact CD1-CG2 4.05Å; L540-I575 HydrophobicContact CD2-CG2 3.83Å; L540-W594 HydrophobicContact CD1-CH2 3.95Å
541L95.4Very high93.3Very high6 Ų623.4 Ų23.43%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-113.3135.7168.6-55.6176.5000110.4L516 V532 I533 P561 M562 L563L516-L541 HydrophobicContact CD2-CD1 3.52Å; V532-L541 CarbonylContact C-O 3.36Å; V532-L541 WeakPolarHBondContact CA-O 3.33Å; I533-L541 HydrophobicContact CB-CB 4.3Å; I533-L541 PolarHBondContact N-O 3.43Å; I533-L541 PolarHBondContact O-N 3.46Å; L541-P561 HydrophobicContact CB-CB 4.2Å; L541-P561 HydrophobicContact CD1-CB 4.25Å; L541-M562 CarbonylContact C-O 3.48Å; L541-M562 WeakPolarHBondContact CA-O 3.39Å; L541-L563 HydrophobicContact CD2-CB 4.15Å; L541-L563 HydrophobicContact CD2-CD1 4.08Å
542T96.9Very high93.1Very high0 Ų024.3 Ų24.30%012%0.121CC..EExtended strand (participates in β ladder)trans-127.5146.2-18063.90000111.7S531 V532 L549 M562S531-T542 WeakPolarHBondContact O-CA 3.12Å; V532-T542 HydrophobicContact CB-CG2 4.42Å; V532-T542 HydrophobicContact CG1-CG2 4.03Å; V532-T542 HydrophobicContact CG2-CG2 4.03Å; T542-L549 WeakPolarHBondContact CG2-O 3.05Å; T542-L549 PolarHBondContact OG1-O 3.11Å; T542-M562 PolarHBondContact N-O 3.06Å; T542-M562 PolarHBondContact O-N 2.85Å
543F96.9Very high92.8Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-156.8158.8175.646.4-81000110.6M480 Q498 L499 G500 F530 S531 I533 L549 S558 P561M480-F543 HydrophobicContact CE-CE2 4.18Å; M480-F543 HydrophobicContact CE-CZ 3.98Å; Q498-F543 VanDerWaalsContact O-CD2 3.31Å; Q498-F543 WeakPolarHBondContact O-CD2 3.29Å; Q498-F543 WeakPolarHBondContact O-CE2 3.42Å; L499-F543 VanDerWaalsContact C-CE2 3.44Å; G500-F543 VanDerWaalsContact CA-CD2 3.46Å; F530-F543 CarbonylContact C-O 3.53Å; F530-F543 WeakPolarHBondContact CA-O 3.31Å; S531-F543 VanDerWaalsContact CB-CZ 3.41Å; S531-F543 PolarHBondContact N-O 2.94Å; S531-F543 PolarHBondContact O-N 3.11Å; I533-F543 HydrophobicContact CD1-CE1 3.45Å; I533-F543 VanDerWaalsContact CD1-CE1 3.45Å; I533-F543 HydrophobicContact CD1-CZ 3.78Å; I533-F543 HydrophobicContact CG1-CE1 3.83Å; I533-F543 HydrophobicContact CG1-CZ 4.2Å; F543-L549 VanDerWaalsContact C-CD2 3.47Å; F543-L549 WeakPolarHBondContact O-CD2 3.32Å; F543-S558 WeakPolarHBondContact CB-O 3.07Å; F543-P561 HydrophobicContact CD1-CB 3.81Å; F543-P561 HydrophobicContact CD1-CG 3.84Å; F543-P561 HydrophobicContact CE1-CB 4.22Å; F543-P561 HydrophobicContact CE1-CG 4.06Å; F543-P561 HydrophobicContact CG-CG 4.42Å
544G97.2Very high92.5Very high0 Ų039.4 Ų39.40%019%0.193CC..EExtended strand (participates in β ladder)trans108.1-145.1-16900000112.8C496 Y529 D557 S558C496-G544 CarbonylContact O-C 3.07Å; C496-G544 VanDerWaalsContact O-CA 3.23Å; C496-G544 WeakPolarHBondContact O-CA 3.21Å; Y529-G544 CarbonylContact O-C 3.45Å; Y529-G544 VanDerWaalsContact O-CA 3.3Å; Y529-G544 WeakPolarHBondContact O-CA 3.38Å; G544-D557 VanDerWaalsContact O-CA 3.32Å; G544-D557 WeakPolarHBondContact O-CA 3.14Å; G544-S558 PolarHBondContact N-O 3.44Å; G544-S558 PolarHBondContact O-N 3.34Å
545T96.4Very high92.4Very high16 Ų1640.6 Ų40.610%0.09820%0.204CC..  trans-71.3128.6-173.2-172.90000113.5Y529 F530 K547 N548 L549 D557Y529-T545 WeakPolarHBondContact O-CG2 3.45Å; Y529-T545 PolarHBondContact O-N 3.27Å; F530-T545 HydrophobicContact CB-CG2 4.2Å; F530-T545 HydrophobicContact CD1-CG2 4.32Å; T545-K547 HydrophobicContact CG2-CD 4.33Å; T545-K547 HydrophobicContact CG2-CG 3.77Å; T545-K547 PolarHBondContact O-N 3.01Å; T545-K547 VanDerWaalsContact O-N 3.12Å; T545-K547 WeakPolarHBondContact OG1-CG 3.35Å; T545-N548 HydrophobicContact CG2-CB 4.25Å; T545-N548 PolarHBondContact O-N 3.1Å; T545-L549 VanDerWaalsContact O-CG 3.3Å; T545-L549 WeakPolarHBondContact O-CG 3.42Å; T545-D557 WeakPolarHBondContact CA-OD1 3.31Å
546A94.6Very high92.5Very high15 Ų1548.9 Ų48.912%0.12424%0.239CC..G310 helixtrans-51.4-39.6-17400000113.6N548 L549 A555 D557A546-N548 PolarHBondContact O-N 2.8Å; A546-L549 PolarHBondContact O-N 3.03Å; A546-A555 HydrophobicContact CB-CB 4.19Å; A546-A555 VanDerWaalsContact CB-O 3.27Å; A546-A555 WeakPolarHBondContact CB-O 3.41Å; A546-D557 WeakPolarHBondContact CB-OD1 3.38Å; A546-D557 PolarHBondContact N-OD1 3.07Å
547K94Very high93Very high77 Ų7749.2 Ų49.234%0.33524%0.241SC..G310 helixtrans-56-24.9-178.352158.6-168168.90112.8T545 D580 H609 F611T545-K547 HydrophobicContact CG2-CD 4.33Å; T545-K547 HydrophobicContact CG2-CG 3.77Å; T545-K547 PolarHBondContact O-N 3.01Å; T545-K547 VanDerWaalsContact O-N 3.12Å; T545-K547 WeakPolarHBondContact OG1-CG 3.35Å; K547-D580 IonicContact NZ-OD1 2.71Å; K547-D580 PolarHBondContact NZ-OD1 2.72Å; K547-H609 PolarHBondContact O-NE2 2.89Å; K547-F611 HydrophobicContact CB-CE1 4.4Å
548N95.6Very high93.7Very high0 Ų039.5 Ų39.50%021%0.207CC..G310 helixtrans-115.11.9-173.7-72.2103.6000114.5F530 T545 A546 G550 D580 W594F530-N548 HydrophobicContact CB-CB 4.21Å; F530-N548 HydrophobicContact CD1-CB 3.32Å; F530-N548 HydrophobicContact CD2-CB 4.03Å; F530-N548 HydrophobicContact CE1-CB 3.58Å; F530-N548 HydrophobicContact CE2-CB 4.27Å; F530-N548 HydrophobicContact CG-CB 3.56Å; F530-N548 HydrophobicContact CZ-CB 4.06Å; T545-N548 HydrophobicContact CG2-CB 4.25Å; T545-N548 PolarHBondContact O-N 3.1Å; A546-N548 PolarHBondContact O-N 2.8Å; N548-G550 VanDerWaalsContact C-N 3.33Å; N548-G550 PolarHBondContact O-N 3.15Å; N548-D580 PolarHBondContact ND2-O 3.28Å; N548-W594 PolarHBondContact O-NE1 2.93Å
549L95.6Very high94.4Very high0 Ų039.5 Ų39.50%021%0.207CC..SBendtrans-79.9-13-175.4-57.1-171.4000114.3F530 T542 F543 T545 A546 L551F530-L549 HydrophobicContact CB-CD2 4.19Å; T542-L549 WeakPolarHBondContact CG2-O 3.05Å; T542-L549 PolarHBondContact OG1-O 3.11Å; F543-L549 VanDerWaalsContact C-CD2 3.47Å; F543-L549 WeakPolarHBondContact O-CD2 3.32Å; T545-L549 VanDerWaalsContact O-CG 3.3Å; T545-L549 WeakPolarHBondContact O-CG 3.42Å; A546-L549 PolarHBondContact O-N 3.03Å; L549-L551 HydrophobicContact CB-CB 4.44Å; L549-L551 HydrophobicContact CB-CD1 3.66Å; L549-L551 HydrophobicContact CB-CG 3.84Å; L549-L551 HydrophobicContact CD1-CD1 3.8Å; L549-L551 HydrophobicContact CG-CD1 4.38Å; L549-L551 PolarHBondContact O-N 2.91Å
550G93.8Very high94.5Very high1 Ų144.7 Ų44.71%0.0123%0.226CC..SBendtrans74.411.8-176.500000114.1N548 L564 F611 P613N548-G550 VanDerWaalsContact C-N 3.33Å; N548-G550 PolarHBondContact O-N 3.15Å; G550-L564 VanDerWaalsContact O-CD1 3.31Å; G550-L564 WeakPolarHBondContact O-CD1 3.48Å; G550-F611 CarbonylContact C-O 3.28Å; G550-F611 VanDerWaalsContact CA-O 3.24Å; G550-F611 WeakPolarHBondContact CA-O 3.43Å; G550-P613 WeakPolarHBondContact O-CD 3.13Å
551L93.4Very high94.5Very high41 Ų4146 Ų4622%0.21524%0.235CC..SBendtrans-89.83.7-172.7-64.1169.3000114.1L549 A555 M562 L564 F611L549-L551 HydrophobicContact CB-CB 4.44Å; L549-L551 HydrophobicContact CB-CD1 3.66Å; L549-L551 HydrophobicContact CB-CG 3.84Å; L549-L551 HydrophobicContact CD1-CD1 3.8Å; L549-L551 HydrophobicContact CG-CD1 4.38Å; L549-L551 PolarHBondContact O-N 2.91Å; L551-A555 HydrophobicContact CB-CB 3.74Å; L551-M562 HydrophobicContact CD1-CB 4.29Å; L551-M562 HydrophobicContact CD1-CE 3.37Å; L551-M562 HydrophobicContact CD1-SD 3.65Å; L551-M562 HydrophobicContact CD2-CE 4.29Å; L551-M562 HydrophobicContact CG-CE 4.44Å; L551-L564 HydrophobicContact CD2-CD1 3.86Å; L551-L564 HydrophobicContact CG-CD1 4.45Å; L551-F611 PolarHBondContact N-O 3.42Å
552G92.3Very high94.4Very high20 Ų2049.3 Ų49.321%0.20625%0.251CS..  trans99.3168.9-174.200000113.7D554 A555 F611G552-D554 VanDerWaalsContact C-N 3.31Å; G552-D554 PolarHBondContact O-N 2.82Å; G552-A555 WeakPolarHBondContact O-CB 3.19Å; G552-A555 PolarHBondContact O-N 2.66Å; G552-F611 WeakPolarHBondContact CA-O 3.42Å; G552-F611 PolarHBondContact N-O 2.98Å
553K91.3Very high94.3Very high161 Ų16152.5 Ų52.570%0.727%0.268SS*.THydrogen-bonded Turntrans-67.5-29.1-170.1-172.3177.3176.8-179.80113.7F611K553-F611 HydrophobicContact CB-CB 4.33Å; K553-F611 HydrophobicContact CB-CD1 4.46Å; K553-F611 HydrophobicContact CB-CD2 4.11Å; K553-F611 HydrophobicContact CB-CG 4.04Å; K553-F611 HydrophobicContact CD-CE2 4.49Å; K553-F611 HydrophobicContact CG-CD2 4.15Å; K553-F611 HydrophobicContact CG-CE2 4.12Å; K553-F611 HydrophobicContact CG-CG 4.39Å; K553-F611 HydrophobicContact CG-CZ 4.33Å
554D91.6Very high94.1Very high155 Ų15552.6 Ų52.683%0.82927%0.268SS*.THydrogen-bonded Turntrans-94.49.3-176.4-54.5-49.1000113.2G552G552-D554 VanDerWaalsContact C-N 3.31Å; G552-D554 PolarHBondContact O-N 2.82Å
555A92.2Very high93.8Very high28 Ų2859.2 Ų59.223%0.23130%0.299CS..  trans-64.8156.8177.400000111.8A546 L551 G552A546-A555 HydrophobicContact CB-CB 4.19Å; A546-A555 VanDerWaalsContact CB-O 3.27Å; A546-A555 WeakPolarHBondContact CB-O 3.41Å; L551-A555 HydrophobicContact CB-CB 3.74Å; G552-A555 WeakPolarHBondContact O-CB 3.19Å; G552-A555 PolarHBondContact O-N 2.66Å
556K93.4Very high93.5Very high177 Ų17763.8 Ų63.877%0.7732%0.319SS*.  trans-112.8155174.9-64.5-177.6-178.7178.70110.2S558K556-S558 PolarHBondContact O-N 3.36Å
557D94.7Very high93.4Very high70 Ų7063.6 Ų63.637%0.37432%0.316SS..  trans-55.9138.3173.4-73.511.6000109.3G544 T545 A546G544-D557 VanDerWaalsContact O-CA 3.32Å; G544-D557 WeakPolarHBondContact O-CA 3.14Å; T545-D557 WeakPolarHBondContact CA-OD1 3.31Å; A546-D557 WeakPolarHBondContact CB-OD1 3.38Å; A546-D557 PolarHBondContact N-OD1 3.07Å
558S95.3Very high93.2Very high17 Ų1764.6 Ų64.612%0.11932%0.324CS..EExtended strand (participates in β ladder)trans-127.3120.7-176.4-173.20000111.7F543 G544 K556 K560 M562F543-S558 WeakPolarHBondContact CB-O 3.07Å; G544-S558 PolarHBondContact N-O 3.44Å; G544-S558 PolarHBondContact O-N 3.34Å; K556-S558 PolarHBondContact O-N 3.36Å; S558-K560 VanDerWaalsContact C-N 3.29Å; S558-K560 PolarHBondContact OG-N 2.81Å; S558-K560 PolarHBondContact OG-O 2.75Å; S558-M562 VanDerWaalsContact CB-SD 3.51Å
559A95.3Very high92.8Very high8 Ų876 Ų767%0.06637%0.367CS..EExtended strand (participates in β ladder)trans-83.1-4.8169.400000113.7G500 F501 G502 F504G500-A559 CarbonylContact C-O 3.51Å; G500-A559 VanDerWaalsContact CA-O 3.24Å; G500-A559 WeakPolarHBondContact CA-O 3.44Å; F501-A559 PolarHBondContact N-O 2.86Å; G502-A559 VanDerWaalsContact CA-O 3.28Å; G502-A559 WeakPolarHBondContact CA-O 3.48Å; G502-A559 PolarHBondContact N-O 2.75Å; F504-A559 HydrophobicContact CD1-CB 4.44Å; F504-A559 HydrophobicContact CD2-CB 4.35Å; F504-A559 HydrophobicContact CE1-CB 4.06Å; F504-A559 HydrophobicContact CE2-CB 3.96Å; F504-A559 HydrophobicContact CZ-CB 3.81Å
560K93.6Very high92.6Very high145 Ų14579.6 Ų79.663%0.6338%0.384SS*.EExtended strand (participates in β ladder)trans-113.1140.4176.5-66.7-176.4179.9179.90109.6S558 M562S558-K560 VanDerWaalsContact C-N 3.29Å; S558-K560 PolarHBondContact OG-N 2.81Å; S558-K560 PolarHBondContact OG-O 2.75Å; K560-M562 PolarHBondContact O-N 3.22Å
561P94.5Very high92.4Very high30 Ų3083.9 Ų83.920%0.19541%0.407CS..EExtended strand (participates in β ladder)trans-55.7124.6174-24.934.3000111.9L516 L541 F543L516-P561 HydrophobicContact CD1-CG 4.05Å; L516-P561 HydrophobicContact CD2-CB 3.94Å; L516-P561 HydrophobicContact CD2-CG 3.82Å; L516-P561 HydrophobicContact CG-CG 3.96Å; L541-P561 HydrophobicContact CB-CB 4.2Å; L541-P561 HydrophobicContact CD1-CB 4.25Å; F543-P561 HydrophobicContact CD1-CB 3.81Å; F543-P561 HydrophobicContact CD1-CG 3.84Å; F543-P561 HydrophobicContact CE1-CB 4.22Å; F543-P561 HydrophobicContact CE1-CG 4.06Å; F543-P561 HydrophobicContact CG-CG 4.42Å
562M94.7Very high92.4Very high74 Ų7482.3 Ų82.337%0.36540%0.399SS..EExtended strand (participates in β ladder)trans-110.2138.8-180-69.5-174.157.900111L541 T542 L551 S558 K560L541-M562 CarbonylContact C-O 3.48Å; L541-M562 WeakPolarHBondContact CA-O 3.39Å; T542-M562 PolarHBondContact N-O 3.06Å; T542-M562 PolarHBondContact O-N 2.85Å; L551-M562 HydrophobicContact CD1-CB 4.29Å; L551-M562 HydrophobicContact CD1-CE 3.37Å; L551-M562 HydrophobicContact CD1-SD 3.65Å; L551-M562 HydrophobicContact CD2-CE 4.29Å; L551-M562 HydrophobicContact CG-CE 4.44Å; S558-M562 VanDerWaalsContact CB-SD 3.51Å; K560-M562 PolarHBondContact O-N 3.22Å
563L93.5Very high92.2Very high67 Ų6786.2 Ų86.235%0.35141%0.41SS..EExtended strand (participates in β ladder)trans-73.9130.5176.6179.563.4000111.3T539 L541 E565 L568T539-L563 HydrophobicContact CG2-CD1 3.22Å; L541-L563 HydrophobicContact CD2-CB 4.15Å; L541-L563 HydrophobicContact CD2-CD1 4.08Å; L563-E565 HydrophobicContact CD2-CG 4Å; L563-E565 HydrophobicContact CG-CG 4.04Å; L563-E565 PolarHBondContact O-N 2.92Å; L563-L568 HydrophobicContact CD1-CD2 4.19Å; L563-L568 HydrophobicContact CD2-CD1 4.4Å; L563-L568 HydrophobicContact CD2-CD2 4.36Å
564L93.6Very high92.3Very high2 Ų280.2 Ų80.21%0.0139%0.386CS..  trans-87.178.5173.3-168.961.5000110.3L540 G550 L551 Q566 L567 W594 P613L540-L564 HydrophobicContact CB-CB 4.16Å; L540-L564 HydrophobicContact CB-CD2 4.39Å; L540-L564 HydrophobicContact CD1-CD2 4.31Å; L540-L564 PolarHBondContact O-N 3.17Å; G550-L564 VanDerWaalsContact O-CD1 3.31Å; G550-L564 WeakPolarHBondContact O-CD1 3.48Å; L551-L564 HydrophobicContact CD2-CD1 3.86Å; L551-L564 HydrophobicContact CG-CD1 4.45Å; L564-Q566 PolarHBondContact O-N 2.99Å; L564-Q566 VanDerWaalsContact O-N 3.1Å; L564-L567 HydrophobicContact CD2-CD1 3.62Å; L564-L567 HydrophobicContact CD2-CG 4.07Å; L564-L567 HydrophobicContact CG-CD1 4.37Å; L564-L567 HydrophobicContact CG-CG 4.3Å; L564-L567 PolarHBondContact O-N 3.05Å; L564-L567 VanDerWaalsContact O-N 3.15Å; L564-W594 HydrophobicContact CD2-CH2 4.21Å; L564-W594 HydrophobicContact CD2-CZ2 4.17Å; L564-P613 HydrophobicContact CD1-CG 4.49Å; L564-P613 HydrophobicContact CD2-CG 3.93Å; L564-P613 HydrophobicContact CG-CG 4.46Å
565E90.5Very high92.4Very high139 Ų13973 Ų7365%0.6535%0.347SS*.G310 helixtrans-57.7-29.1-170.6-66-177.8177.600114.4L563 L567 L568L563-E565 HydrophobicContact CD2-CG 4Å; L563-E565 HydrophobicContact CG-CG 4.04Å; L563-E565 PolarHBondContact O-N 2.92Å; E565-L567 PolarHBondContact O-N 3.4Å; E565-L567 VanDerWaalsContact O-N 3.16Å; E565-L568 HydrophobicContact CB-CD1 4.14Å; E565-L568 HydrophobicContact CG-CD1 4.36Å; E565-L568 WeakPolarHBondContact O-CB 3.47Å; E565-L568 WeakPolarHBondContact O-CG 3.33Å; E565-L568 PolarHBondContact O-N 3.31Å
566Q90Very high92.6Very high113 Ų11372.8 Ų72.853%0.52834%0.34SS..G310 helixtrans-63.3-21.3-178.6-61.2177.726.300113.2L564L564-Q566 PolarHBondContact O-N 2.99Å; L564-Q566 VanDerWaalsContact O-N 3.1Å
567L92.7Very high92.8Very high11 Ų1165.2 Ų65.26%0.05831%0.31CS..G310 helixtrans-104.78.1-178.7-59.7-172.2000113.8L540 L564 E565 R569 E570 I572 L592 W594 P613L540-L567 HydrophobicContact CD1-CD1 3.89Å; L564-L567 HydrophobicContact CD2-CD1 3.62Å; L564-L567 HydrophobicContact CD2-CG 4.07Å; L564-L567 HydrophobicContact CG-CD1 4.37Å; L564-L567 HydrophobicContact CG-CG 4.3Å; L564-L567 PolarHBondContact O-N 3.05Å; L564-L567 VanDerWaalsContact O-N 3.15Å; E565-L567 PolarHBondContact O-N 3.4Å; E565-L567 VanDerWaalsContact O-N 3.16Å; L567-R569 PolarHBondContact O-N 3.25Å; L567-E570 HydrophobicContact CD2-CG 4.13Å; L567-E570 PolarHBondContact O-N 3.39Å; L567-I572 HydrophobicContact CD1-CD1 4.38Å; L567-L592 HydrophobicContact CD1-CD1 4.3Å; L567-L592 HydrophobicContact CD2-CD1 3.43Å; L567-L592 VanDerWaalsContact CD2-CD1 3.43Å; L567-W594 HydrophobicContact CD1-CH2 4.5Å; L567-W594 HydrophobicContact CD1-CZ3 4.3Å; L567-P613 HydrophobicContact CD1-CB 4.07Å; L567-P613 HydrophobicContact CD1-CG 3.85Å; L567-P613 HydrophobicContact CD2-CB 3.73Å; L567-P613 HydrophobicContact CD2-CG 4.02Å; L567-P613 HydrophobicContact CG-CB 4.18Å; L567-P613 HydrophobicContact CG-CG 3.94Å
568L88.7Confident92.9Very high97 Ų9762 Ų6251%0.50829%0.293SS..THydrogen-bonded Turntrans-60.9-17.8-179.6-75.6171.4000114.5T539 L563 E565T539-L568 HydrophobicContact CG2-CD2 4.33Å; L563-L568 HydrophobicContact CD1-CD2 4.19Å; L563-L568 HydrophobicContact CD2-CD1 4.4Å; L563-L568 HydrophobicContact CD2-CD2 4.36Å; E565-L568 HydrophobicContact CB-CD1 4.14Å; E565-L568 HydrophobicContact CG-CD1 4.36Å; E565-L568 WeakPolarHBondContact O-CB 3.47Å; E565-L568 WeakPolarHBondContact O-CG 3.33Å; E565-L568 PolarHBondContact O-N 3.31Å
569R87.6Confident92.8Very high239 Ų23962.2 Ų62.290%0.90229%0.292SS*.THydrogen-bonded Turntrans-97.7-3.7178.3-63.7-178.1-179.7-121.80.5113.2L567L567-R569 PolarHBondContact O-N 3.25Å
570E90.8Very high92.9Very high76 Ų7663.7 Ų63.736%0.35530%0.299SS..SBendtrans-103.3131.7-177.6-56.7-61.4165.600109.7L567 I572 L586 L592L567-E570 HydrophobicContact CD2-CG 4.13Å; L567-E570 PolarHBondContact O-N 3.39Å; E570-I572 HydrophobicContact CB-CD1 3.98Å; E570-I572 PolarHBondContact O-N 3.03Å; E570-I572 VanDerWaalsContact O-N 3.07Å; E570-L586 HydrophobicContact CB-CD2 4.14Å; E570-L586 HydrophobicContact CB-CG 4.4Å; E570-L586 HydrophobicContact CG-CD2 4.47Å; E570-L586 WeakPolarHBondContact OE2-CD2 3.42Å; E570-L592 HydrophobicContact CG-CD1 4.28Å
571N89.9Confident93.1Very high91 Ų9156.8 Ų56.849%0.48727%0.269SS..  trans-82.586.6175.2-72-2.2000109.6K573 L586 E587N571-K573 PolarHBondContact O-N 3.24Å; N571-L586 CarbonylContact O-C 3.44Å; N571-L586 VanDerWaalsContact O-CA 3.28Å; N571-L586 WeakPolarHBondContact O-CA 3.45Å; N571-E587 HydrophobicContact CB-CB 4.27Å; N571-E587 HydrophobicContact CB-CG 4.01Å; N571-E587 WeakPolarHBondContact CB-OE2 2.92Å; N571-E587 PolarHBondContact ND2-OE2 3.49Å; N571-E587 PolarHBondContact O-N 3.47Å
572I93.1Very high93.2Very high8 Ų855.3 Ų55.34%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-70.7125.3176.7-51.3-56.6000110G538 L540 L567 E570 I575 A584 L586G538-I572 WeakPolarHBondContact CA-O 3.39Å; G538-I572 WeakPolarHBondContact O-CG1 3.27Å; L540-I572 HydrophobicContact CD1-CG1 4.29Å; L540-I572 HydrophobicContact CD1-CG2 4.49Å; L540-I572 HydrophobicContact CD2-CB 4.43Å; L540-I572 HydrophobicContact CD2-CG2 4.08Å; L540-I572 HydrophobicContact CG-CG1 4.21Å; L567-I572 HydrophobicContact CD1-CD1 4.38Å; E570-I572 HydrophobicContact CB-CD1 3.98Å; E570-I572 PolarHBondContact O-N 3.03Å; E570-I572 VanDerWaalsContact O-N 3.07Å; I572-I575 HydrophobicContact CG2-CG2 4.19Å; I572-A584 HydrophobicContact CD1-CB 4.22Å; I572-A584 HydrophobicContact CG2-CB 4.27Å; I572-L586 HydrophobicContact CD1-CD1 3.62Å; I572-L586 HydrophobicContact CD1-CG 4.06Å
573K90Very high93.4Very high103 Ų10351.8 Ų51.845%0.44824%0.242SC..EExtended strand (participates in β ladder)trans-88.4-46.5175.8-176.8-168.3176.1-163.80111.4N571 V585 E587 V625N571-K573 PolarHBondContact O-N 3.24Å; K573-V585 WeakPolarHBondContact CA-O 3.06Å; K573-V585 WeakPolarHBondContact CB-O 3.17Å; K573-V585 PolarHBondContact N-O 2.91Å; K573-E587 HydrophobicContact CB-CG 4.28Å; K573-V625 PolarHBondContact NZ-O 3.19Å
574D92.1Very high93.5Very high35 Ų3548.6 Ų48.619%0.18723%0.226CC..EExtended strand (participates in β ladder)trans-158.9167-177.5-154.63.2000112.6S523 Y576 V585S523-D574 WeakPolarHBondContact CB-OD1 3.34Å; S523-D574 PolarHBondContact OG-OD1 2.75Å; D574-Y576 HydrophobicContact CB-CE2 4.39Å; D574-Y576 WeakPolarHBondContact OD2-CE1 3.43Å; D574-Y576 VanDerWaalsContact OD2-CZ 3.29Å; D574-Y576 PolarHBondContact OD2-OH 3.22Å; D574-V585 PolarHBondContact N-O 2.79Å; D574-V585 PolarHBondContact O-N 3.49Å
575I94.9Very high93.6Very high3 Ų348.6 Ų48.62%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-132.4141.8-176.654.5163.6000112.1V532 C534 L540 I572 A584V532-I575 HydrophobicContact CB-CD1 3.81Å; V532-I575 HydrophobicContact CG1-CD1 3.63Å; V532-I575 HydrophobicContact CG1-CG2 4.35Å; V532-I575 WeakPolarHBondContact O-CD1 3.5Å; C534-I575 HydrophobicContact CB-CD1 4.43Å; C534-I575 HydrophobicContact CB-CG1 4.37Å; L540-I575 HydrophobicContact CD1-CG2 4.05Å; L540-I575 HydrophobicContact CD2-CG2 3.83Å; I572-I575 HydrophobicContact CG2-CG2 4.19Å; I575-A584 HydrophobicContact CG2-CB 4.28Å
576Y96.5Very high93.8Very high23 Ų2342.3 Ų42.39%0.0920%0.196CC..EExtended strand (participates in β ladder)trans-133.3116.7178.7-52.9-64.3000110.3D574 V582 V583 V585 Y626 G627D574-Y576 HydrophobicContact CB-CE2 4.39Å; D574-Y576 WeakPolarHBondContact OD2-CE1 3.43Å; D574-Y576 VanDerWaalsContact OD2-CZ 3.29Å; D574-Y576 PolarHBondContact OD2-OH 3.22Å; Y576-V582 WeakPolarHBondContact O-CA 3.13Å; Y576-V583 PolarHBondContact N-O 3.03Å; Y576-V583 PolarHBondContact O-N 2.99Å; Y576-V585 HydrophobicContact CD2-CG2 4.08Å; Y576-V585 HydrophobicContact CE2-CG2 3.68Å; Y576-Y626 HydrophobicContact CE1-CD2 4.23Å; Y576-Y626 HydrophobicContact CE1-CE2 4.08Å; Y576-Y626 AromaticContact CZ-CD2 4Å; Y576-Y626 VanDerWaalsContact OH-CD2 3.32Å; Y576-Y626 WeakPolarHBondContact OH-CD2 3.49Å; Y576-G627 WeakPolarHBondContact CD1-O 3.42Å; Y576-G627 WeakPolarHBondContact CE1-O 3.2Å; Y576-G627 VanDerWaalsContact CE2-CA 3.48Å; Y576-G627 PolarHBondContact OH-N 3.05Å
577C97Very high93.8Very high18 Ų1842.4 Ų42.412%0.12220%0.197CC..EExtended strand (participates in β ladder)trans-102.1127.1179.7-630000110V526 F530V526-C577 VanDerWaalsContact C-CB 3.42Å; V526-C577 VanDerWaalsContact O-CB 3.24Å; V526-C577 WeakPolarHBondContact O-CB 3.39Å; F530-C577 HydrophobicContact CE2-CB 4.18Å; F530-C577 HydrophobicContact CZ-CB 4.33Å
578G95.8Very high93.8Very high3 Ų344.9 Ų44.93%0.03122%0.215CC..  trans-87.4-166163.600000110.5G527 D580 H581 G630G527-G578 WeakPolarHBondContact CA-O 3.36Å; G578-D580 PolarHBondContact O-N 3.41Å; G578-H581 PolarHBondContact N-O 2.97Å; G578-G630 WeakPolarHBondContact CA-O 3.46Å
579H95Very high94Very high22 Ų2240.4 Ų40.410%0.10219%0.193CC..SBendtrans-62.4-43.2177.8-78.7-169.1000112.5N528 G630N528-H579 WeakPolarHBondContact CB-O 3.36Å; N528-H579 PolarHBondContact N-O 3.31Å; N528-H579 WeakPolarHBondContact ND2-CB 3.29Å; N528-H579 VanDerWaalsContact ND2-CG 3.32Å; N528-H579 PolarHBondContact ND2-ND1 3.3Å; H579-G630 PolarHBondContact N-O 2.71Å
580D96.3Very high94.3Very high38 Ų3832.8 Ų32.820%0.20317%0.167CC..SBendtrans-138.526.2-174.2-68.6-80.8000111.8K547 N548 G578 S596K547-D580 IonicContact NZ-OD1 2.71Å; K547-D580 PolarHBondContact NZ-OD1 2.72Å; N548-D580 PolarHBondContact ND2-O 3.28Å; G578-D580 PolarHBondContact O-N 3.41Å; D580-S596 VanDerWaalsContact O-CB 3.31Å; D580-S596 WeakPolarHBondContact O-CB 3.31Å; D580-S596 PolarHBondContact O-N 3.49Å
581H97.4Very high94.6Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-153.3161.7177.470.9-75.7000112.2G578 W594 Q601 L602 A629 G630 T634G578-H581 PolarHBondContact N-O 2.97Å; H581-W594 CarbonylContact C-O 3.5Å; H581-W594 WeakPolarHBondContact CA-O 3.35Å; H581-Q601 HydrophobicContact CB-CG 4.34Å; H581-L602 HydrophobicContact CB-CD2 4.02Å; H581-L602 HydrophobicContact CB-CG 4.48Å; H581-A629 WeakPolarHBondContact NE2-CB 3.01Å; H581-G630 PolarHBondContact CE1-O 3.42Å; H581-T634 PolarHBondContact NE2-OG1 2.77Å
582V97.7Very high94.9Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-132.2139.8-178.8-171.60000109.3F530 V532 Y576 G593 W594F530-V582 HydrophobicContact CD2-CG2 4.36Å; F530-V582 HydrophobicContact CE2-CG2 3.38Å; F530-V582 HydrophobicContact CZ-CG2 3.82Å; V532-V582 HydrophobicContact CG2-CG1 4.35Å; V532-V582 HydrophobicContact CG2-CG2 4.08Å; Y576-V582 WeakPolarHBondContact O-CA 3.13Å; V582-G593 VanDerWaalsContact O-CA 3.24Å; V582-G593 WeakPolarHBondContact O-CA 3.45Å; V582-W594 HydrophobicContact CB-CD2 3.91Å; V582-W594 VanDerWaalsContact CB-CE2 3.48Å; V582-W594 HydrophobicContact CB-CE3 4.36Å; V582-W594 HydrophobicContact CB-CG 4.45Å; V582-W594 HydrophobicContact CB-CH2 4.09Å; V582-W594 HydrophobicContact CB-CZ2 3.6Å; V582-W594 HydrophobicContact CB-CZ3 4.44Å; V582-W594 HydrophobicContact CG1-CD2 4.43Å; V582-W594 HydrophobicContact CG1-CH2 3.52Å; V582-W594 HydrophobicContact CG1-CZ2 3.35Å; V582-W594 HydrophobicContact CG1-CZ3 4.13Å; V582-W594 HydrophobicContact CG2-CZ2 4.04Å; V582-W594 PolarHBondContact N-O 3.23Å; V582-W594 PolarHBondContact O-N 2.83Å
583V97.6Very high95.1Very high0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-124.4122.2170.3-179.40000108.6Y576 C591 L592 L602 I616 T634 L636Y576-V583 PolarHBondContact N-O 3.03Å; Y576-V583 PolarHBondContact O-N 2.99Å; V583-C591 HydrophobicContact CG1-CB 4.19Å; V583-L592 CarbonylContact C-O 3.53Å; V583-L592 WeakPolarHBondContact CA-O 3.13Å; V583-L602 HydrophobicContact CG2-CD2 4.1Å; V583-I616 HydrophobicContact CG1-CD1 4.02Å; V583-I616 HydrophobicContact CG2-CD1 4.21Å; V583-T634 HydrophobicContact CG2-CG2 3.92Å; V583-L636 HydrophobicContact CG1-CD2 4.22Å
584A96.5Very high95.5Very high0 Ų020.4 Ų20.40%011%0.108CC..EExtended strand (participates in β ladder)trans-102.7136.6172.400000109.6I572 I575 C591 L592 W594I572-A584 HydrophobicContact CD1-CB 4.22Å; I572-A584 HydrophobicContact CG2-CB 4.27Å; I575-A584 HydrophobicContact CG2-CB 4.28Å; A584-C591 CarbonylContact O-C 3.54Å; A584-C591 VanDerWaalsContact O-CA 3.25Å; A584-C591 WeakPolarHBondContact O-CA 3.32Å; A584-L592 PolarHBondContact N-O 2.93Å; A584-L592 PolarHBondContact O-N 3.02Å; A584-W594 HydrophobicContact CB-CH2 4.2Å; A584-W594 HydrophobicContact CB-CZ3 3.93Å
585V95.4Very high95.7Very high1 Ų118.8 Ų18.81%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-109.6129177.2-179.30000108.8K573 D574 Y576 I624K573-V585 WeakPolarHBondContact CA-O 3.06Å; K573-V585 WeakPolarHBondContact CB-O 3.17Å; K573-V585 PolarHBondContact N-O 2.91Å; D574-V585 PolarHBondContact N-O 2.79Å; D574-V585 PolarHBondContact O-N 3.49Å; Y576-V585 HydrophobicContact CD2-CG2 4.08Å; Y576-V585 HydrophobicContact CE2-CG2 3.68Å; V585-I624 HydrophobicContact CG1-CB 4.24Å; V585-I624 HydrophobicContact CG1-CG2 4.08Å; V585-I624 HydrophobicContact CG2-CG2 4.06Å
586L94.6Very high95.8Very high8 Ų819.1 Ų19.14%0.04210%0.102CC..EExtended strand (participates in β ladder)trans-87.2161.8178.6-79.764000110.9E570 N571 I572 S588 G589 E590 L592E570-L586 HydrophobicContact CB-CD2 4.14Å; E570-L586 HydrophobicContact CB-CG 4.4Å; E570-L586 HydrophobicContact CG-CD2 4.47Å; E570-L586 WeakPolarHBondContact OE2-CD2 3.42Å; N571-L586 CarbonylContact O-C 3.44Å; N571-L586 VanDerWaalsContact O-CA 3.28Å; N571-L586 WeakPolarHBondContact O-CA 3.45Å; I572-L586 HydrophobicContact CD1-CD1 3.62Å; I572-L586 HydrophobicContact CD1-CG 4.06Å; L586-S588 PolarHBondContact O-N 2.9Å; L586-G589 WeakPolarHBondContact O-CA 3.24Å; L586-G589 PolarHBondContact O-N 3.49Å; L586-E590 PolarHBondContact N-O 3.03Å; L586-L592 HydrophobicContact CD1-CD1 3.91Å; L586-L592 HydrophobicContact CD1-CG 3.82Å
587E91Very high95.8Very high114 Ų11418 Ų1853%0.53310%0.098SC..THydrogen-bonded Turntrans-58.7-29172.2-70.6-176155.400113.4N571 K573 G589 K623N571-E587 HydrophobicContact CB-CB 4.27Å; N571-E587 HydrophobicContact CB-CG 4.01Å; N571-E587 WeakPolarHBondContact CB-OE2 2.92Å; N571-E587 PolarHBondContact ND2-OE2 3.49Å; N571-E587 PolarHBondContact O-N 3.47Å; K573-E587 HydrophobicContact CB-CG 4.28Å; E587-G589 PolarHBondContact O-N 3.24Å; E587-K623 VanDerWaalsContact O-CE 3.31Å; E587-K623 WeakPolarHBondContact O-CE 3.3Å; E587-K623 PolarHBondContact O-NZ 2.74Å
588S91.7Very high95.7Very high63 Ų6322 Ų2244%0.44112%0.115SC..THydrogen-bonded Turntrans-64.5-19.5172.764.80000112.7L586 E590 K623L586-S588 PolarHBondContact O-N 2.9Å; S588-E590 WeakPolarHBondContact OG-CB 3.29Å; S588-E590 WeakPolarHBondContact OG-CG 3.23Å; S588-E590 PolarHBondContact OG-N 3.08Å; S588-E590 PolarHBondContact OG-OE2 2.85Å; S588-E590 VanDerWaalsContact OG-OE2 3.04Å; S588-K623 WeakPolarHBondContact O-CE 3.43Å
589G93.1Very high95.6Very high4 Ų426.4 Ų26.44%0.04113%0.131CC..SBendtrans856.2-171.300000114.1L586 E587 I624L586-G589 WeakPolarHBondContact O-CA 3.24Å; L586-G589 PolarHBondContact O-N 3.49Å; E587-G589 PolarHBondContact O-N 3.24Å; G589-I624 WeakPolarHBondContact CA-O 3.39Å; G589-I624 WeakPolarHBondContact O-CB 3.49Å; G589-I624 WeakPolarHBondContact O-CG1 3.43Å; G589-I624 PolarHBondContact O-N 3.49Å; G589-I624 VanDerWaalsContact O-N 3.16Å
590E94.8Very high95.5Very high79 Ų7925.4 Ų25.437%0.36913%0.126SC..  trans-76.2159168.6-63.7175.6115.400110.7L586 S588 K615L586-E590 PolarHBondContact N-O 3.03Å; S588-E590 WeakPolarHBondContact OG-CB 3.29Å; S588-E590 WeakPolarHBondContact OG-CG 3.23Å; S588-E590 PolarHBondContact OG-N 3.08Å; S588-E590 PolarHBondContact OG-OE2 2.85Å; S588-E590 VanDerWaalsContact OG-OE2 3.04Å; E590-K615 WeakPolarHBondContact OE1-CE 3.34Å; E590-K615 IonicContact OE1-NZ 3.47Å; E590-K615 PolarHBondContact OE1-NZ 3.46Å
591C96.8Very high95.5Very high0 Ų023.6 Ų23.60%012%0.117CC..EExtended strand (participates in β ladder)trans-126.7142.7-178.6-53.30000112V583 A584 I616 M618V583-C591 HydrophobicContact CG1-CB 4.19Å; A584-C591 CarbonylContact O-C 3.54Å; A584-C591 VanDerWaalsContact O-CA 3.25Å; A584-C591 WeakPolarHBondContact O-CA 3.32Å; C591-I616 HydrophobicContact CB-CB 4.35Å; C591-I616 HydrophobicContact CB-CD1 4.15Å; C591-I616 PolarHBondContact O-N 2.86Å; C591-M618 HydrophobicContact CB-CE 3.69Å
592L96.8Very high95.5Very high18 Ų1823.6 Ų23.69%0.09412%0.117CC..EExtended strand (participates in β ladder)trans-115.2145.4170.7-55.1177.7000108.6L567 E570 V583 A584 L586 T614 K615L567-L592 HydrophobicContact CD1-CD1 4.3Å; L567-L592 HydrophobicContact CD2-CD1 3.43Å; L567-L592 VanDerWaalsContact CD2-CD1 3.43Å; E570-L592 HydrophobicContact CG-CD1 4.28Å; V583-L592 CarbonylContact C-O 3.53Å; V583-L592 WeakPolarHBondContact CA-O 3.13Å; A584-L592 PolarHBondContact N-O 2.93Å; A584-L592 PolarHBondContact O-N 3.02Å; L586-L592 HydrophobicContact CD1-CD1 3.91Å; L586-L592 HydrophobicContact CD1-CG 3.82Å; L592-T614 CarbonylContact C-O 3.57Å; L592-T614 WeakPolarHBondContact CA-O 3.5Å; L592-K615 HydrophobicContact CD2-CB 3.91Å; L592-K615 HydrophobicContact CD2-CG 4.32Å
593G96.9Very high95.3Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-138.1148-179.400000112.7V582 T614V582-G593 VanDerWaalsContact O-CA 3.24Å; V582-G593 WeakPolarHBondContact O-CA 3.45Å; G593-T614 PolarHBondContact N-O 3.32Å; G593-T614 PolarHBondContact O-N 2.74Å
594W97.1Very high95.2Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-153166.8171.665.793.5000111.1L540 N548 L564 L567 H581 V582 A584 P613L540-W594 HydrophobicContact CD1-CH2 3.95Å; N548-W594 PolarHBondContact O-NE1 2.93Å; L564-W594 HydrophobicContact CD2-CH2 4.21Å; L564-W594 HydrophobicContact CD2-CZ2 4.17Å; L567-W594 HydrophobicContact CD1-CH2 4.5Å; L567-W594 HydrophobicContact CD1-CZ3 4.3Å; H581-W594 CarbonylContact C-O 3.5Å; H581-W594 WeakPolarHBondContact CA-O 3.35Å; V582-W594 HydrophobicContact CB-CD2 3.91Å; V582-W594 VanDerWaalsContact CB-CE2 3.48Å; V582-W594 HydrophobicContact CB-CE3 4.36Å; V582-W594 HydrophobicContact CB-CG 4.45Å; V582-W594 HydrophobicContact CB-CH2 4.09Å; V582-W594 HydrophobicContact CB-CZ2 3.6Å; V582-W594 HydrophobicContact CB-CZ3 4.44Å; V582-W594 HydrophobicContact CG1-CD2 4.43Å; V582-W594 HydrophobicContact CG1-CH2 3.52Å; V582-W594 HydrophobicContact CG1-CZ2 3.35Å; V582-W594 HydrophobicContact CG1-CZ3 4.13Å; V582-W594 HydrophobicContact CG2-CZ2 4.04Å; V582-W594 PolarHBondContact N-O 3.23Å; V582-W594 PolarHBondContact O-N 2.83Å; A584-W594 HydrophobicContact CB-CH2 4.2Å; A584-W594 HydrophobicContact CB-CZ3 3.93Å; W594-P613 HydrophobicContact CD2-CG 4.28Å; W594-P613 HydrophobicContact CE3-CB 3.92Å; W594-P613 HydrophobicContact CE3-CG 3.91Å; W594-P613 HydrophobicContact CZ3-CB 4.33Å; W594-P613 HydrophobicContact CZ3-CG 4.27Å
595G97Very high94.8Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans100.9-154-172.900000112.9H609 F610G595-H609 VanDerWaalsContact C-CE1 3.41Å; G595-H609 WeakPolarHBondContact CA-NE2 3.36Å; G595-F610 PolarHBondContact N-O 2.79Å; G595-F610 PolarHBondContact O-N 3.37Å
596S96.7Very high94.6Very high10 Ų1031.9 Ų31.97%0.0717%0.169CC..  trans-64.6134.2-177.9-179.40000110.8D580 Q598 Q601 H609D580-S596 VanDerWaalsContact O-CB 3.31Å; D580-S596 WeakPolarHBondContact O-CB 3.31Å; D580-S596 PolarHBondContact O-N 3.49Å; S596-Q598 WeakPolarHBondContact OG-CG 3.38Å; S596-Q601 VanDerWaalsContact C-NE2 3.33Å; S596-Q601 VanDerWaalsContact O-CG 3.23Å; S596-Q601 WeakPolarHBondContact O-CG 3.44Å; S596-Q601 PolarHBondContact O-NE2 3.12Å; S596-Q601 PolarHBondContact OG-NE2 3.13Å; S596-Q601 VanDerWaalsContact OG-NE2 3.09Å; S596-H609 WeakPolarHBondContact CA-ND1 3.17Å; S596-H609 PolarHBondContact N-CE1 3Å; S596-H609 VanDerWaalsContact N-CE1 3.31Å; S596-H609 PolarHBondContact N-ND1 2.53Å
597N96.2Very high94.6Very high0 Ų034.7 Ų34.70%018%0.184CC..  trans-126.122.1169.3-157.934.5000112.5Y599 G600 Q601 L602 L604 T606 L607 E608 F610N597-Y599 PolarHBondContact O-N 3.39Å; N597-G600 PolarHBondContact O-N 3.4Å; N597-G600 WeakPolarHBondContact OD1-CA 3.34Å; N597-Q601 VanDerWaalsContact C-OE1 3.22Å; N597-Q601 PolarHBondContact OD1-N 2.83Å; N597-L602 HydrophobicContact CB-CB 4.41Å; N597-L602 HydrophobicContact CB-CD1 4.15Å; N597-L602 HydrophobicContact CB-CG 4.36Å; N597-L602 WeakPolarHBondContact OD1-CB 3.27Å; N597-L602 PolarHBondContact OD1-N 3.01Å; N597-L604 PolarHBondContact ND2-O 3.38Å; N597-T606 PolarHBondContact ND2-O 2.84Å; N597-L607 CarbonylContact C-O 3.54Å; N597-L607 CarbonylContact O-C 3.54Å; N597-L607 WeakPolarHBondContact O-CA 3.48Å; N597-E608 WeakPolarHBondContact CB-O 3.14Å; N597-F610 HydrophobicContact CB-CD2 4Å; N597-F610 HydrophobicContact CB-CE2 4.06Å
598Q94.5Very high94.8Very high103 Ų10335.9 Ų35.948%0.48119%0.19SC..THydrogen-bonded Turntrans-57.5-26.6-174.371.1-169.9-21.200113.8S596S596-Q598 WeakPolarHBondContact OG-CG 3.38Å
599Y93.6Very high95Very high95 Ų9535.8 Ų35.837%0.37318%0.182SC..THydrogen-bonded Turntrans-111.911.7175.9-59.8-66.6000112.4N597 Q601 D632 G647 Y673N597-Y599 PolarHBondContact O-N 3.39Å; Y599-Q601 VanDerWaalsContact C-N 3.34Å; Y599-D632 HydrophobicContact CD2-CB 3.57Å; Y599-D632 HydrophobicContact CE2-CB 4.16Å; Y599-D632 HydrophobicContact CG-CB 4.31Å; Y599-G647 CarbonylContact O-C 3.58Å; Y599-G647 VanDerWaalsContact O-C 3.22Å; Y599-G647 WeakPolarHBondContact O-CA 3.19Å; Y599-Y673 VanDerWaalsContact O-CB 3.31Å; Y599-Y673 WeakPolarHBondContact O-CB 3.07Å
600G94.4Very high95.1Very high0 Ų037.4 Ų37.40%019%0.188CC..SBendtrans75.918.1-176.700000114.4N597 L602 G603 G647N597-G600 PolarHBondContact O-N 3.4Å; N597-G600 WeakPolarHBondContact OD1-CA 3.34Å; G600-L602 PolarHBondContact O-N 2.94Å; G600-L602 VanDerWaalsContact O-N 3.16Å; G600-G603 PolarHBondContact O-N 3.49Å; G600-G647 PolarHBondContact O-N 3Å
601Q96.5Very high95.2Very high1 Ų136.7 Ų36.71%0.00518%0.184CC..THydrogen-bonded Turntrans-66.2-11-17664.9-95.742.500115.6H581 S596 N597 Y599 D632 T634 M646H581-Q601 HydrophobicContact CB-CG 4.34Å; S596-Q601 VanDerWaalsContact C-NE2 3.33Å; S596-Q601 VanDerWaalsContact O-CG 3.23Å; S596-Q601 WeakPolarHBondContact O-CG 3.44Å; S596-Q601 PolarHBondContact O-NE2 3.12Å; S596-Q601 PolarHBondContact OG-NE2 3.13Å; S596-Q601 VanDerWaalsContact OG-NE2 3.09Å; N597-Q601 VanDerWaalsContact C-OE1 3.22Å; N597-Q601 PolarHBondContact OD1-N 2.83Å; Y599-Q601 VanDerWaalsContact C-N 3.34Å; Q601-D632 WeakPolarHBondContact CB-O 3.29Å; Q601-T634 VanDerWaalsContact O-CB 3.3Å; Q601-T634 WeakPolarHBondContact O-CB 3.14Å; Q601-T634 PolarHBondContact O-OG1 2.66Å; Q601-M646 WeakPolarHBondContact O-CG 3.16Å
602L96.8Very high95.1Very high0 Ų038.2 Ų38.20%020%0.196CC..THydrogen-bonded Turntrans-97.4-6.6169.4-62.3178.4000112.7H581 V583 N597 G600 L604 F610 I616H581-L602 HydrophobicContact CB-CD2 4.02Å; H581-L602 HydrophobicContact CB-CG 4.48Å; V583-L602 HydrophobicContact CG2-CD2 4.1Å; N597-L602 HydrophobicContact CB-CB 4.41Å; N597-L602 HydrophobicContact CB-CD1 4.15Å; N597-L602 HydrophobicContact CB-CG 4.36Å; N597-L602 WeakPolarHBondContact OD1-CB 3.27Å; N597-L602 PolarHBondContact OD1-N 3.01Å; G600-L602 PolarHBondContact O-N 2.94Å; G600-L602 VanDerWaalsContact O-N 3.16Å; L602-L604 HydrophobicContact CB-CD1 3.83Å; L602-L604 HydrophobicContact CB-CG 3.91Å; L602-L604 HydrophobicContact CD1-CD1 4.04Å; L602-L604 PolarHBondContact O-N 3.08Å; L602-F610 HydrophobicContact CD1-CB 4.21Å; L602-F610 HydrophobicContact CD1-CD2 4.06Å; L602-F610 HydrophobicContact CD1-CG 4.4Å; L602-I616 WeakPolarHBondContact O-CG1 3.29Å; L602-I616 WeakPolarHBondContact O-CG2 3.4Å
603G94.4Very high95Very high1 Ų138.4 Ų38.41%0.0120%0.199CC..  trans64.622.9-179.200000113.9G600 M646 N675 P677G600-G603 PolarHBondContact O-N 3.49Å; G603-M646 VanDerWaalsContact CA-SD 3.57Å; G603-M646 PolarHBondContact N-SD 3.04Å; G603-N675 CarbonylContact C-O 3.56Å; G603-N675 WeakPolarHBondContact CA-O 3.34Å; G603-P677 WeakPolarHBondContact O-CD 3.21Å
604L94.3Very high95Very high3 Ų340.6 Ų40.62%0.01621%0.213CC..  trans-92.7157.1-179.4-63172.7000111.6N597 L602 T606 F610 T614 K615 I616N597-L604 PolarHBondContact ND2-O 3.38Å; L602-L604 HydrophobicContact CB-CD1 3.83Å; L602-L604 HydrophobicContact CB-CG 3.91Å; L602-L604 HydrophobicContact CD1-CD1 4.04Å; L602-L604 PolarHBondContact O-N 3.08Å; L604-T606 VanDerWaalsContact C-N 3.32Å; L604-T606 PolarHBondContact O-N 3.12Å; L604-F610 HydrophobicContact CB-CE1 4.45Å; L604-F610 HydrophobicContact CB-CE2 3.81Å; L604-F610 HydrophobicContact CB-CZ 3.69Å; L604-F610 HydrophobicContact CD1-CD1 3.73Å; L604-F610 HydrophobicContact CD1-CD2 3.64Å; L604-F610 HydrophobicContact CD1-CE1 3.66Å; L604-F610 HydrophobicContact CD1-CE2 3.58Å; L604-F610 HydrophobicContact CD1-CG 3.72Å; L604-F610 HydrophobicContact CD1-CZ 3.58Å; L604-F610 HydrophobicContact CG-CE2 4.34Å; L604-F610 HydrophobicContact CG-CZ 4.24Å; L604-T614 HydrophobicContact CD1-CG2 4Å; L604-T614 HydrophobicContact CD2-CG2 3.96Å; L604-K615 WeakPolarHBondContact CD2-O 3.28Å; L604-I616 HydrophobicContact CD2-CG1 4.36Å
605P87.5Confident95Very high109 Ų10946.4 Ų46.471%0.70824%0.238SC*.SBendtrans-60.6-32.7-171.7-25.534.6000115.4
606T92.3Very high94.9Very high61 Ų6146.5 Ų46.537%0.37424%0.238SC..SBendtrans-105150.6-17968.90000110.4N597 L604 E608 F610N597-T606 PolarHBondContact ND2-O 2.84Å; L604-T606 VanDerWaalsContact C-N 3.32Å; L604-T606 PolarHBondContact O-N 3.12Å; T606-E608 PolarHBondContact O-N 2.95Å; T606-F610 VanDerWaalsContact OG1-CZ 3.28Å; T606-F610 WeakPolarHBondContact OG1-CZ 3.48Å
607L93.7Very high94.8Very high67 Ų6749.7 Ų49.735%0.35126%0.258SS..  trans-86.914.2176.1-59.2177.2000113.1N597 Y673 N675N597-L607 CarbonylContact C-O 3.54Å; N597-L607 CarbonylContact O-C 3.54Å; N597-L607 WeakPolarHBondContact O-CA 3.48Å; L607-Y673 HydrophobicContact CD1-CE2 4.1Å; L607-Y673 WeakPolarHBondContact CD1-OH 3.38Å; L607-Y673 HydrophobicContact CD2-CE2 3.95Å; L607-N675 HydrophobicContact CD2-CB 4.12Å
608E95Very high94.7Very high140 Ų14051.5 Ų51.565%0.65427%0.267SS*.SBendtrans-77.9163.4-177.3-63.6-176.1165.400111.7N597 T606 F610N597-E608 WeakPolarHBondContact CB-O 3.14Å; T606-E608 PolarHBondContact O-N 2.95Å; E608-F610 WeakPolarHBondContact O-CD2 3.47Å; E608-F610 WeakPolarHBondContact O-CE2 3.28Å
609H96Very high94.5Very high60 Ų6048 Ų4828%0.27825%0.254SS..  trans-76.3127.8173.8-164.9105.8000110.5K547 G595 S596 F611K547-H609 PolarHBondContact O-NE2 2.89Å; G595-H609 VanDerWaalsContact C-CE1 3.41Å; G595-H609 WeakPolarHBondContact CA-NE2 3.36Å; S596-H609 WeakPolarHBondContact CA-ND1 3.17Å; S596-H609 PolarHBondContact N-CE1 3Å; S596-H609 VanDerWaalsContact N-CE1 3.31Å; S596-H609 PolarHBondContact N-ND1 2.53Å; H609-F611 HydrophobicContact CB-CE2 4.16Å; H609-F611 HydrophobicContact CB-CZ 4.28Å; H609-F611 AromaticContact CD2-CD1 3.9Å; H609-F611 AromaticContact CD2-CE1 3.7Å; H609-F611 AromaticContact CD2-CE2 3.92Å; H609-F611 AromaticContact CD2-CZ 3.7Å
610F96.5Very high94.1Very high38 Ų3848.3 Ų48.317%0.16727%0.27CS..EExtended strand (participates in β ladder)trans-96.7111.2179.9-74-96.7000110.4G595 N597 L602 L604 T606 E608 A612 T614G595-F610 PolarHBondContact N-O 2.79Å; G595-F610 PolarHBondContact O-N 3.37Å; N597-F610 HydrophobicContact CB-CD2 4Å; N597-F610 HydrophobicContact CB-CE2 4.06Å; L602-F610 HydrophobicContact CD1-CB 4.21Å; L602-F610 HydrophobicContact CD1-CD2 4.06Å; L602-F610 HydrophobicContact CD1-CG 4.4Å; L604-F610 HydrophobicContact CB-CE1 4.45Å; L604-F610 HydrophobicContact CB-CE2 3.81Å; L604-F610 HydrophobicContact CB-CZ 3.69Å; L604-F610 HydrophobicContact CD1-CD1 3.73Å; L604-F610 HydrophobicContact CD1-CD2 3.64Å; L604-F610 HydrophobicContact CD1-CE1 3.66Å; L604-F610 HydrophobicContact CD1-CE2 3.58Å; L604-F610 HydrophobicContact CD1-CG 3.72Å; L604-F610 HydrophobicContact CD1-CZ 3.58Å; L604-F610 HydrophobicContact CG-CE2 4.34Å; L604-F610 HydrophobicContact CG-CZ 4.24Å; T606-F610 VanDerWaalsContact OG1-CZ 3.28Å; T606-F610 WeakPolarHBondContact OG1-CZ 3.48Å; E608-F610 WeakPolarHBondContact O-CD2 3.47Å; E608-F610 WeakPolarHBondContact O-CE2 3.28Å; F610-A612 VanDerWaalsContact C-N 3.35Å; F610-T614 HydrophobicContact CD1-CG2 4.17Å; F610-T614 WeakPolarHBondContact CD1-OG1 3.33Å; F610-T614 HydrophobicContact CE1-CG2 4.11Å
611F95.7Very high93.6Very high64 Ų6455.9 Ų55.928%0.28131%0.31SS..EExtended strand (participates in β ladder)trans-85.7-5.5-177.3-64.6-87.1000114.4K547 G550 L551 G552 K553 H609K547-F611 HydrophobicContact CB-CE1 4.4Å; G550-F611 CarbonylContact C-O 3.28Å; G550-F611 VanDerWaalsContact CA-O 3.24Å; G550-F611 WeakPolarHBondContact CA-O 3.43Å; L551-F611 PolarHBondContact N-O 3.42Å; G552-F611 WeakPolarHBondContact CA-O 3.42Å; G552-F611 PolarHBondContact N-O 2.98Å; K553-F611 HydrophobicContact CB-CB 4.33Å; K553-F611 HydrophobicContact CB-CD1 4.46Å; K553-F611 HydrophobicContact CB-CD2 4.11Å; K553-F611 HydrophobicContact CB-CG 4.04Å; K553-F611 HydrophobicContact CD-CE2 4.49Å; K553-F611 HydrophobicContact CG-CD2 4.15Å; K553-F611 HydrophobicContact CG-CE2 4.12Å; K553-F611 HydrophobicContact CG-CG 4.39Å; K553-F611 HydrophobicContact CG-CZ 4.33Å; H609-F611 HydrophobicContact CB-CE2 4.16Å; H609-F611 HydrophobicContact CB-CZ 4.28Å; H609-F611 AromaticContact CD2-CD1 3.9Å; H609-F611 AromaticContact CD2-CE1 3.7Å; H609-F611 AromaticContact CD2-CE2 3.92Å; H609-F611 AromaticContact CD2-CZ 3.7Å
612A94.6Very high93.3Very high32 Ų3258.1 Ų58.126%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-135.8150.5179.900000110.3F610 T614F610-A612 VanDerWaalsContact C-N 3.35Å; A612-T614 PolarHBondContact O-N 3.45Å; A612-T614 PolarHBondContact O-OG1 2.92Å; A612-T614 VanDerWaalsContact O-OG1 3.04Å
613P96.3Very high93Very high23 Ų2362.6 Ų62.615%0.14934%0.34CS..EExtended strand (participates in β ladder)trans-53.1124176.1-26.735.1000111.9G550 L564 L567 W594G550-P613 WeakPolarHBondContact O-CD 3.13Å; L564-P613 HydrophobicContact CD1-CG 4.49Å; L564-P613 HydrophobicContact CD2-CG 3.93Å; L564-P613 HydrophobicContact CG-CG 4.46Å; L567-P613 HydrophobicContact CD1-CB 4.07Å; L567-P613 HydrophobicContact CD1-CG 3.85Å; L567-P613 HydrophobicContact CD2-CB 3.73Å; L567-P613 HydrophobicContact CD2-CG 4.02Å; L567-P613 HydrophobicContact CG-CB 4.18Å; L567-P613 HydrophobicContact CG-CG 3.94Å; W594-P613 HydrophobicContact CD2-CG 4.28Å; W594-P613 HydrophobicContact CE3-CB 3.92Å; W594-P613 HydrophobicContact CE3-CG 3.91Å; W594-P613 HydrophobicContact CZ3-CB 4.33Å; W594-P613 HydrophobicContact CZ3-CG 4.27Å
614T96.5Very high93.1Very high46 Ų4662.6 Ų62.628%0.28234%0.339SS..EExtended strand (participates in β ladder)trans-128135.7-176.9-580000109.9L592 G593 L604 F610 A612 I616L592-T614 CarbonylContact C-O 3.57Å; L592-T614 WeakPolarHBondContact CA-O 3.5Å; G593-T614 PolarHBondContact N-O 3.32Å; G593-T614 PolarHBondContact O-N 2.74Å; L604-T614 HydrophobicContact CD1-CG2 4Å; L604-T614 HydrophobicContact CD2-CG2 3.96Å; F610-T614 HydrophobicContact CD1-CG2 4.17Å; F610-T614 WeakPolarHBondContact CD1-OG1 3.33Å; F610-T614 HydrophobicContact CE1-CG2 4.11Å; A612-T614 PolarHBondContact O-N 3.45Å; A612-T614 PolarHBondContact O-OG1 2.92Å; A612-T614 VanDerWaalsContact O-OG1 3.04Å; T614-I616 PolarHBondContact O-N 3.12Å
615K95.7Very high93Very high122 Ų12264.6 Ų64.653%0.5335%0.351SS..EExtended strand (participates in β ladder)trans-65.6125.8-178.8-172.8173.3-175.7167.80111.7E590 L592 L604E590-K615 WeakPolarHBondContact OE1-CE 3.34Å; E590-K615 IonicContact OE1-NZ 3.47Å; E590-K615 PolarHBondContact OE1-NZ 3.46Å; L592-K615 HydrophobicContact CD2-CB 3.91Å; L592-K615 HydrophobicContact CD2-CG 4.32Å; L604-K615 WeakPolarHBondContact CD2-O 3.28Å
616I96.5Very high93.2Very high2 Ų263 Ų631%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-87.5126.4177.5-53175000108.9V583 C591 L602 L604 T614 M618 M646 P677V583-I616 HydrophobicContact CG1-CD1 4.02Å; V583-I616 HydrophobicContact CG2-CD1 4.21Å; C591-I616 HydrophobicContact CB-CB 4.35Å; C591-I616 HydrophobicContact CB-CD1 4.15Å; C591-I616 PolarHBondContact O-N 2.86Å; L602-I616 WeakPolarHBondContact O-CG1 3.29Å; L602-I616 WeakPolarHBondContact O-CG2 3.4Å; L604-I616 HydrophobicContact CD2-CG1 4.36Å; T614-I616 PolarHBondContact O-N 3.12Å; I616-M618 HydrophobicContact CB-CE 3.63Å; I616-M618 HydrophobicContact CD1-CE 4.41Å; I616-M618 HydrophobicContact CG2-CE 3.27Å; I616-M618 PolarHBondContact O-N 2.69Å; I616-M646 HydrophobicContact CG2-SD 4.18Å; I616-P677 HydrophobicContact CG2-CG 3.63Å
617P94.9Very high93.4Very high76 Ų7660 Ų6049%0.49431%0.314SS..  trans-76.186.2-175.830.8-35.4000111.7P677P617-P677 WeakPolarHBondContact O-CG 3.43Å
618M93.6Very high93.5Very high38 Ų3858.9 Ų58.919%0.18731%0.306CS..PPolyproline II helixtrans-65.9151178.5-69.9-56.814200112.8C591 I616 I624 L636 M646 P677C591-M618 HydrophobicContact CB-CE 3.69Å; I616-M618 HydrophobicContact CB-CE 3.63Å; I616-M618 HydrophobicContact CD1-CE 4.41Å; I616-M618 HydrophobicContact CG2-CE 3.27Å; I616-M618 PolarHBondContact O-N 2.69Å; M618-I624 HydrophobicContact CG-CG1 4.15Å; M618-I624 HydrophobicContact SD-CD1 4.17Å; M618-I624 HydrophobicContact SD-CG1 4.06Å; M618-L636 HydrophobicContact CE-CD1 3.4Å; M618-L636 VanDerWaalsContact CE-CD1 3.4Å; M618-L636 HydrophobicContact SD-CD1 3.95Å; M618-M646 HydrophobicContact CE-CE 4.14Å; M618-P677 HydrophobicContact CE-CG 4.12Å; M618-P677 HydrophobicContact SD-CB 4.08Å; M618-P677 HydrophobicContact SD-CG 4.22Å
619P90.5Very high93.5Very high31 Ų3153.1 Ų53.120%0.20128%0.282CS..PPolyproline II helixtrans-58.7141.5172.9-20.133.4000111.2K622 I644 P677 I679P619-K622 HydrophobicContact CB-CG 4.18Å; P619-K622 PolarHBondContact O-N 3.43Å; P619-I644 HydrophobicContact CG-CD1 4.29Å; P619-P677 HydrophobicContact CG-CB 4.42Å; P619-I679 HydrophobicContact CB-CD1 4.16Å; P619-I679 HydrophobicContact CB-CG1 4.46Å; P619-I679 HydrophobicContact CG-CD1 4.36Å; P619-I679 HydrophobicContact CG-CG1 4.11Å
620S85.4Confident93.4Very high101 Ų10150.5 Ų50.571%0.70627%0.272SS*.THydrogen-bonded Turntrans-56.1141178.953.70000111.8K622S620-K622 VanDerWaalsContact C-N 3.31Å; S620-K622 PolarHBondContact O-N 3.49Å
621N83.1Confident93.2Very high158 Ų15851.6 Ų51.685%0.84528%0.276SS*.THydrogen-bonded Turntrans64.226.4179-52.2-21.7000115
622K89.6Confident93.2Very high48 Ų4849.2 Ų49.221%0.20927%0.266CS..  trans-118115.2172.2-61.1-65.3175.21740109.8P619 S620 D640 S642 I644P619-K622 HydrophobicContact CB-CG 4.18Å; P619-K622 PolarHBondContact O-N 3.43Å; S620-K622 VanDerWaalsContact C-N 3.31Å; S620-K622 PolarHBondContact O-N 3.49Å; K622-D640 IonicContact NZ-OD1 2.82Å; K622-D640 IonicContact NZ-OD2 3.93Å; K622-D640 PolarHBondContact NZ-OD2 3.34Å; K622-S642 PolarHBondContact NZ-OG 3.1Å; K622-I644 HydrophobicContact CB-CD1 4.09Å; K622-I644 HydrophobicContact CG-CD1 4.31Å
623K92Very high93.3Very high95 Ų9547.7 Ų47.741%0.41325%0.254SS..  trans-94.3113.6174.7-171.7-178.4-178.8174.70108.9E587 S588 S638 D639E587-K623 VanDerWaalsContact O-CE 3.31Å; E587-K623 WeakPolarHBondContact O-CE 3.3Å; E587-K623 PolarHBondContact O-NZ 2.74Å; S588-K623 WeakPolarHBondContact O-CE 3.43Å; K623-S638 CarbonylContact O-C 3.55Å; K623-S638 WeakPolarHBondContact O-CA 3.1Å; K623-S638 WeakPolarHBondContact O-CB 3.41Å; K623-D639 HydrophobicContact CB-CB 4.46Å; K623-D639 PolarHBondContact O-N 3.29Å
624I95.8Very high93.3Very high1 Ų146.6 Ų46.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-72.7131.3179.5-53.9-52.7000109.8V585 G589 M618 L636 I644V585-I624 HydrophobicContact CG1-CB 4.24Å; V585-I624 HydrophobicContact CG1-CG2 4.08Å; V585-I624 HydrophobicContact CG2-CG2 4.06Å; G589-I624 WeakPolarHBondContact CA-O 3.39Å; G589-I624 WeakPolarHBondContact O-CB 3.49Å; G589-I624 WeakPolarHBondContact O-CG1 3.43Å; G589-I624 PolarHBondContact O-N 3.49Å; G589-I624 VanDerWaalsContact O-N 3.16Å; M618-I624 HydrophobicContact CG-CG1 4.15Å; M618-I624 HydrophobicContact SD-CD1 4.17Å; M618-I624 HydrophobicContact SD-CG1 4.06Å; I624-L636 HydrophobicContact CD1-CB 4.13Å; I624-L636 HydrophobicContact CG2-CB 4Å; I624-L636 HydrophobicContact CG2-CD2 4.32Å; I624-I644 HydrophobicContact CD1-CD1 3.58Å
625V92.6Very high93.4Very high44 Ų4444.4 Ų44.427%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-113.6-25.9-179.3-65.10000113.2K573 L637 D639K573-V625 PolarHBondContact NZ-O 3.19Å; V625-L637 HydrophobicContact CG2-CG 4.44Å; V625-L637 WeakPolarHBondContact CG2-O 3.28Å; V625-L637 PolarHBondContact N-O 2.97Å; V625-D639 HydrophobicContact CG1-CB 3.74Å
626Y91.4Very high93.4Very high75 Ų7538.6 Ų38.629%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-156.7158.3-172.9-176.7-115.4000111Y576 K628 L637 F690Y576-Y626 HydrophobicContact CE1-CD2 4.23Å; Y576-Y626 HydrophobicContact CE1-CE2 4.08Å; Y576-Y626 AromaticContact CZ-CD2 4Å; Y576-Y626 VanDerWaalsContact OH-CD2 3.32Å; Y576-Y626 WeakPolarHBondContact OH-CD2 3.49Å; Y626-K628 HydrophobicContact CE1-CG 4.22Å; Y626-K628 WeakPolarHBondContact OH-CE 3.08Å; Y626-K628 PolarHBondContact OH-NZ 3.31Å; Y626-L637 PolarHBondContact N-O 3.17Å; Y626-L637 PolarHBondContact O-N 2.98Å; Y626-F690 AromaticContact CD1-CE1 3.72Å; Y626-F690 HydrophobicContact CD1-CE1 3.72Å; Y626-F690 HydrophobicContact CD1-CZ 4.17Å; Y626-F690 HydrophobicContact CE1-CE1 4.03Å; Y626-F690 HydrophobicContact CE1-CZ 4.33Å
627G95Very high93.4Very high0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-155.5162.6-177.800000113.1Y576 M635Y576-G627 WeakPolarHBondContact CD1-O 3.42Å; Y576-G627 WeakPolarHBondContact CE1-O 3.2Å; Y576-G627 VanDerWaalsContact CE2-CA 3.48Å; Y576-G627 PolarHBondContact OH-N 3.05Å; G627-M635 CarbonylContact C-O 3.28Å; G627-M635 WeakPolarHBondContact CA-O 3.21Å
628K96.1Very high93.4Very high43 Ų4335.5 Ų35.519%0.18719%0.187CC..EExtended strand (participates in β ladder)trans-144.8140.2162.3-60.7-175.3-176170.90109.2Y626 M635 D689 F690 V692Y626-K628 HydrophobicContact CE1-CG 4.22Å; Y626-K628 WeakPolarHBondContact OH-CE 3.08Å; Y626-K628 PolarHBondContact OH-NZ 3.31Å; K628-M635 PolarHBondContact N-O 2.91Å; K628-M635 PolarHBondContact O-N 3.28Å; K628-M635 VanDerWaalsContact O-O 3.1Å; K628-D689 WeakPolarHBondContact CE-OD1 3.37Å; K628-D689 IonicContact NZ-OD1 3.01Å; K628-D689 PolarHBondContact NZ-OD1 3.32Å; K628-D689 IonicContact NZ-OD2 2.56Å; K628-F690 HydrophobicContact CB-CD2 4.4Å; K628-F690 HydrophobicContact CB-CE2 3.68Å; K628-F690 HydrophobicContact CB-CZ 4.32Å; K628-F690 HydrophobicContact CD-CD2 4.43Å; K628-F690 HydrophobicContact CD-CE2 4.33Å; K628-F690 WeakPolarHBondContact CD-O 3.48Å; K628-F690 WeakPolarHBondContact CE-O 2.95Å; K628-F690 HydrophobicContact CG-CD2 4.48Å; K628-F690 HydrophobicContact CG-CE2 3.89Å; K628-F690 HydrophobicContact CG-CZ 4.24Å; K628-F690 PolarHBondContact NZ-O 3.41Å; K628-V692 HydrophobicContact CB-CG2 4.11Å
629A95.5Very high93.2Very high18 Ų1837.4 Ų37.415%0.14920%0.198CC..EExtended strand (participates in β ladder)trans-113.6127.9176.500000109.3H581H581-A629 WeakPolarHBondContact NE2-CB 3.01Å
630G93.5Very high93.1Very high6 Ų639 Ų396%0.06221%0.205CC..  trans-99.1-157179.900000112.9G578 H579 H581 D632 A633G578-G630 WeakPolarHBondContact CA-O 3.46Å; H579-G630 PolarHBondContact N-O 2.71Å; H581-G630 PolarHBondContact CE1-O 3.42Å; G630-D632 VanDerWaalsContact C-N 3.34Å; G630-D632 PolarHBondContact O-N 3.12Å; G630-A633 PolarHBondContact N-O 3.38Å
631K93.9Very high93.3Very high61 Ų6134.5 Ų34.527%0.26518%0.175SC..SBendtrans-55.9-45.8178.9175-179.1175.4-170.10112.9D777K631-D777 IonicContact NZ-OD2 3.49Å; K631-D777 PolarHBondContact NZ-OD2 2.93Å
632D94.3Very high93.7Very high13 Ų1328.2 Ų28.27%0.0714%0.143CC..SBendtrans-154.217.5-162.557.5-8.8000111.5Y599 Q601 G630 G647 S648 K653Y599-D632 HydrophobicContact CD2-CB 3.57Å; Y599-D632 HydrophobicContact CE2-CB 4.16Å; Y599-D632 HydrophobicContact CG-CB 4.31Å; Q601-D632 WeakPolarHBondContact CB-O 3.29Å; G630-D632 VanDerWaalsContact C-N 3.34Å; G630-D632 PolarHBondContact O-N 3.12Å; D632-G647 WeakPolarHBondContact O-CA 3.3Å; D632-S648 VanDerWaalsContact CG-CB 3.46Å; D632-S648 PolarHBondContact O-N 3.16Å; D632-S648 WeakPolarHBondContact OD2-CB 3.1Å; D632-S648 PolarHBondContact OD2-OG 3.38Å; D632-K653 WeakPolarHBondContact OD1-CE 3.3Å; D632-K653 IonicContact OD1-NZ 2.75Å; D632-K653 PolarHBondContact OD1-NZ 3.28Å; D632-K653 IonicContact OD2-NZ 2.75Å; D632-K653 PolarHBondContact OD2-NZ 2.86Å
633A96.2Very high94Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-151.7158.317900000111.6G630 M646 L654 V692G630-A633 PolarHBondContact N-O 3.38Å; A633-M646 CarbonylContact C-O 3.45Å; A633-M646 WeakPolarHBondContact CA-O 3.48Å; A633-M646 WeakPolarHBondContact CB-O 3.37Å; A633-L654 HydrophobicContact CB-CD1 4.04Å; A633-L654 HydrophobicContact CB-CD2 3.81Å; A633-L654 HydrophobicContact CB-CG 4.39Å; A633-V692 HydrophobicContact CB-CG1 4.3Å
634T97.4Very high94.1Very high0 Ų021.5 Ų21.50%011%0.114CC..EExtended strand (participates in β ladder)trans-128.1137.1175.7-59.10000108.8H581 V583 Q601 L636 A645 M646H581-T634 PolarHBondContact NE2-OG1 2.77Å; V583-T634 HydrophobicContact CG2-CG2 3.92Å; Q601-T634 VanDerWaalsContact O-CB 3.3Å; Q601-T634 WeakPolarHBondContact O-CB 3.14Å; Q601-T634 PolarHBondContact O-OG1 2.66Å; T634-L636 HydrophobicContact CG2-CD2 3.91Å; T634-L636 HydrophobicContact CG2-CG 3.99Å; T634-A645 WeakPolarHBondContact O-CA 3.17Å; T634-M646 PolarHBondContact N-O 2.81Å; T634-M646 PolarHBondContact O-N 3.31Å
635M97.3Very high94.1Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-123.5136169.1-67.9173.157.900109.7G627 K628 L643 I644 A645 L654 L680 F690 V692 F709G627-M635 CarbonylContact C-O 3.28Å; G627-M635 WeakPolarHBondContact CA-O 3.21Å; K628-M635 PolarHBondContact N-O 2.91Å; K628-M635 PolarHBondContact O-N 3.28Å; K628-M635 VanDerWaalsContact O-O 3.1Å; M635-L643 HydrophobicContact CB-CD1 4.47Å; M635-L643 HydrophobicContact CE-CD1 4.05Å; M635-L643 HydrophobicContact CE-CD2 3.23Å; M635-L643 HydrophobicContact CE-CG 3.68Å; M635-I644 CarbonylContact C-O 3.42Å; M635-I644 VanDerWaalsContact CA-O 3.3Å; M635-I644 WeakPolarHBondContact CA-O 3.18Å; M635-A645 HydrophobicContact CG-CB 3.81Å; M635-L654 HydrophobicContact CG-CD2 4.02Å; M635-L654 HydrophobicContact SD-CD2 3.8Å; M635-L680 HydrophobicContact CE-CD1 3.96Å; M635-F690 HydrophobicContact CB-CD2 3.82Å; M635-F690 HydrophobicContact CB-CE2 3.41Å; M635-F690 VanDerWaalsContact CB-CE2 3.41Å; M635-F690 HydrophobicContact CB-CZ 4.16Å; M635-F690 HydrophobicContact CE-CD2 4.09Å; M635-F690 HydrophobicContact CE-CG 4.45Å; M635-F690 WeakPolarHBondContact O-CE2 3.12Å; M635-F690 VanDerWaalsContact O-CZ 3.28Å; M635-F690 WeakPolarHBondContact O-CZ 2.79Å; M635-V692 HydrophobicContact CB-CG2 3.69Å; M635-V692 HydrophobicContact CG-CG2 3.78Å; M635-V692 HydrophobicContact SD-CB 4.45Å; M635-V692 HydrophobicContact SD-CG1 4.29Å; M635-V692 HydrophobicContact SD-CG2 3.62Å; M635-F709 HydrophobicContact CE-CZ 4.43Å
636L97.3Very high94.3Very high0 Ų019.3 Ų19.30%010%0.101CC..EExtended strand (participates in β ladder)trans-129139-175.1-59.3175.2000109.1V583 M618 I624 T634 I644 M646V583-L636 HydrophobicContact CG1-CD2 4.22Å; M618-L636 HydrophobicContact CE-CD1 3.4Å; M618-L636 VanDerWaalsContact CE-CD1 3.4Å; M618-L636 HydrophobicContact SD-CD1 3.95Å; I624-L636 HydrophobicContact CD1-CB 4.13Å; I624-L636 HydrophobicContact CG2-CB 4Å; I624-L636 HydrophobicContact CG2-CD2 4.32Å; T634-L636 HydrophobicContact CG2-CD2 3.91Å; T634-L636 HydrophobicContact CG2-CG 3.99Å; L636-I644 HydrophobicContact CB-CB 4.44Å; L636-I644 PolarHBondContact N-O 3.07Å; L636-I644 PolarHBondContact O-N 3.18Å; L636-M646 HydrophobicContact CD1-CE 3.82Å; L636-M646 HydrophobicContact CG-CE 4.49Å
637L96.1Very high94.5Very high12 Ų1215.8 Ų15.86%0.0639%0.087CC..EExtended strand (participates in β ladder)trans-107.7129.9178.8-176.769.3000109.8V625 Y626 L643 V687 F690V625-L637 HydrophobicContact CG2-CG 4.44Å; V625-L637 WeakPolarHBondContact CG2-O 3.28Å; V625-L637 PolarHBondContact N-O 2.97Å; Y626-L637 PolarHBondContact N-O 3.17Å; Y626-L637 PolarHBondContact O-N 2.98Å; L637-L643 HydrophobicContact CD1-CD1 4.34Å; L637-V687 HydrophobicContact CD1-CB 3.92Å; L637-V687 HydrophobicContact CD1-CG1 4.16Å; L637-V687 WeakPolarHBondContact CD1-O 3.41Å; L637-F690 HydrophobicContact CB-CE1 3.83Å
638S94.4Very high94.4Very high1 Ų116.1 Ų16.11%0.0079%0.09CC..EExtended strand (participates in β ladder)trans-86.6160.717152.30000112.7K623 D640 G641 S642K623-S638 CarbonylContact O-C 3.55Å; K623-S638 WeakPolarHBondContact O-CA 3.1Å; K623-S638 WeakPolarHBondContact O-CB 3.41Å; S638-D640 PolarHBondContact O-N 2.58Å; S638-D640 PolarHBondContact OG-OD1 2.79Å; S638-G641 PolarHBondContact O-N 2.91Å; S638-S642 PolarHBondContact N-O 3.49Å; S638-S642 VanDerWaalsContact OG-CB 3.23Å; S638-S642 WeakPolarHBondContact OG-CB 3.36Å; S638-S642 PolarHBondContact OG-N 2.58Å; S638-S642 PolarHBondContact OG-O 3.01Å; S638-S642 VanDerWaalsContact OG-O 3.07Å
639D89.9Confident94.2Very high78 Ų7814.2 Ų14.242%0.4178%0.081SC..THydrogen-bonded Turntrans-50.7-37.1174.358.3-16.2000114.2K623 V625 G641 R686K623-D639 HydrophobicContact CB-CB 4.46Å; K623-D639 PolarHBondContact O-N 3.29Å; V625-D639 HydrophobicContact CG1-CB 3.74Å; D639-G641 PolarHBondContact O-N 3.25Å; D639-R686 PolarHBondContact O-NH2 3.4Å
640D88Confident93.9Very high64 Ų6416 Ų1634%0.3429%0.086SC..THydrogen-bonded Turntrans-76.9-2.2176.172.41.2000114.7K622 S638 S642 R686K622-D640 IonicContact NZ-OD1 2.82Å; K622-D640 IonicContact NZ-OD2 3.93Å; K622-D640 PolarHBondContact NZ-OD2 3.34Å; S638-D640 PolarHBondContact O-N 2.58Å; S638-D640 PolarHBondContact OG-OD1 2.79Å; D640-S642 VanDerWaalsContact CG-OG 3.28Å; D640-S642 VanDerWaalsContact OD1-CB 3.29Å; D640-S642 WeakPolarHBondContact OD1-CB 3.18Å; D640-S642 PolarHBondContact OD1-N 2.81Å; D640-S642 PolarHBondContact OD1-OG 3.31Å; D640-S642 PolarHBondContact OD2-OG 3.03Å; D640-R686 WeakPolarHBondContact O-CG 3.14Å; D640-R686 PolarHBondContact O-NE 3.25Å
641G89.1Confident93.6Very high8 Ų818.8 Ų18.88%0.08210%0.097CC..SBendtrans86.79.918000000114.8S638 D639 V687S638-G641 PolarHBondContact O-N 2.91Å; D639-G641 PolarHBondContact O-N 3.25Å; G641-V687 PolarHBondContact O-N 3.4Å
642S92.4Very high93.3Very high26 Ų2617.6 Ų17.618%0.1829%0.094CC..  trans-75.2137.7172.1-45.30000110.9K622 S638 D640K622-S642 PolarHBondContact NZ-OG 3.1Å; S638-S642 PolarHBondContact N-O 3.49Å; S638-S642 VanDerWaalsContact OG-CB 3.23Å; S638-S642 WeakPolarHBondContact OG-CB 3.36Å; S638-S642 PolarHBondContact OG-N 2.58Å; S638-S642 PolarHBondContact OG-O 3.01Å; S638-S642 VanDerWaalsContact OG-O 3.07Å; D640-S642 VanDerWaalsContact CG-OG 3.28Å; D640-S642 VanDerWaalsContact OD1-CB 3.29Å; D640-S642 WeakPolarHBondContact OD1-CB 3.18Å; D640-S642 PolarHBondContact OD1-N 2.81Å; D640-S642 PolarHBondContact OD1-OG 3.31Å; D640-S642 PolarHBondContact OD2-OG 3.03Å
643L94.8Very high93.2Very high1 Ų117 Ų171%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-100.2127.8178.1-163.759.6000109.7M635 L637 L680 F683 V687 F690 V699M635-L643 HydrophobicContact CB-CD1 4.47Å; M635-L643 HydrophobicContact CE-CD1 4.05Å; M635-L643 HydrophobicContact CE-CD2 3.23Å; M635-L643 HydrophobicContact CE-CG 3.68Å; L637-L643 HydrophobicContact CD1-CD1 4.34Å; L643-L680 HydrophobicContact CB-CB 4.4Å; L643-L680 HydrophobicContact CB-CD1 4.46Å; L643-L680 HydrophobicContact CD2-CD1 3.99Å; L643-L680 HydrophobicContact CG-CD1 4.06Å; L643-L680 WeakPolarHBondContact O-CB 3.35Å; L643-L680 PolarHBondContact O-N 3.49Å; L643-F683 HydrophobicContact CB-CE2 4.24Å; L643-F683 HydrophobicContact CD2-CE2 3.93Å; L643-F683 HydrophobicContact CD2-CZ 4.14Å; L643-V687 HydrophobicContact CB-CG2 4.41Å; L643-V687 HydrophobicContact CD1-CG1 4.45Å; L643-V687 HydrophobicContact CD2-CG1 4.3Å; L643-V687 HydrophobicContact CD2-CG2 4.32Å; L643-F690 HydrophobicContact CD1-CD1 3.58Å; L643-F690 HydrophobicContact CD1-CD2 4.35Å; L643-F690 HydrophobicContact CD1-CE1 3.74Å; L643-F690 HydrophobicContact CD1-CE2 4.46Å; L643-F690 HydrophobicContact CD1-CG 3.92Å; L643-F690 HydrophobicContact CD1-CZ 4.17Å; L643-V699 HydrophobicContact CD2-CG1 3.51Å
644I95.4Very high93Very high0 Ų017 Ų170%09%0.09CC..EExtended strand (participates in β ladder)trans-116.9127.7-177.4-64.3158.2000107.9P619 K622 I624 M635 L636 M646 P677 T678 I679P619-I644 HydrophobicContact CG-CD1 4.29Å; K622-I644 HydrophobicContact CB-CD1 4.09Å; K622-I644 HydrophobicContact CG-CD1 4.31Å; I624-I644 HydrophobicContact CD1-CD1 3.58Å; M635-I644 CarbonylContact C-O 3.42Å; M635-I644 VanDerWaalsContact CA-O 3.3Å; M635-I644 WeakPolarHBondContact CA-O 3.18Å; L636-I644 HydrophobicContact CB-CB 4.44Å; L636-I644 PolarHBondContact N-O 3.07Å; L636-I644 PolarHBondContact O-N 3.18Å; I644-M646 HydrophobicContact CG2-CE 4.34Å; I644-P677 HydrophobicContact CG2-CB 3.67Å; I644-T678 CarbonylContact C-O 3.53Å; I644-T678 WeakPolarHBondContact CA-O 3.4Å; I644-I679 HydrophobicContact CG1-CG1 3.95Å
645A95.9Very high92.6Very high0 Ų017.3 Ų17.30%09%0.092CC..EExtended strand (participates in β ladder)trans-124.7155.2-179.400000112.4T634 M635 L654 T678 L680T634-A645 WeakPolarHBondContact O-CA 3.17Å; M635-A645 HydrophobicContact CG-CB 3.81Å; A645-L654 HydrophobicContact CB-CB 4.18Å; A645-L654 HydrophobicContact CB-CD1 4.2Å; A645-L654 HydrophobicContact CB-CD2 4.3Å; A645-L654 HydrophobicContact CB-CG 4.46Å; A645-T678 PolarHBondContact N-O 2.84Å; A645-T678 PolarHBondContact O-N 2.88Å; A645-L680 HydrophobicContact CB-CD1 3.91Å; A645-L680 HydrophobicContact CB-CD2 3.78Å; A645-L680 HydrophobicContact CB-CG 3.92Å
646M95.6Very high91.9Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-153.6154.3172.962.4-157.980.200109.1Q601 G603 I616 M618 A633 T634 L636 I644 V674 P677Q601-M646 WeakPolarHBondContact O-CG 3.16Å; G603-M646 VanDerWaalsContact CA-SD 3.57Å; G603-M646 PolarHBondContact N-SD 3.04Å; I616-M646 HydrophobicContact CG2-SD 4.18Å; M618-M646 HydrophobicContact CE-CE 4.14Å; A633-M646 CarbonylContact C-O 3.45Å; A633-M646 WeakPolarHBondContact CA-O 3.48Å; A633-M646 WeakPolarHBondContact CB-O 3.37Å; T634-M646 PolarHBondContact N-O 2.81Å; T634-M646 PolarHBondContact O-N 3.31Å; L636-M646 HydrophobicContact CD1-CE 3.82Å; L636-M646 HydrophobicContact CG-CE 4.49Å; I644-M646 HydrophobicContact CG2-CE 4.34Å; M646-V674 WeakPolarHBondContact CA-O 3.41Å; M646-P677 HydrophobicContact CE-CB 3.75Å; M646-P677 HydrophobicContact CE-CG 3.72Å; M646-P677 HydrophobicContact SD-CG 4.23Å
647G95.5Very high90.7Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans108.9-161.8-175.500000114.4Y599 G600 D632 N649 Y673 V674Y599-G647 CarbonylContact O-C 3.58Å; Y599-G647 VanDerWaalsContact O-C 3.22Å; Y599-G647 WeakPolarHBondContact O-CA 3.19Å; G600-G647 PolarHBondContact O-N 3Å; D632-G647 WeakPolarHBondContact O-CA 3.3Å; G647-N649 PolarHBondContact O-N 3.33Å; G647-Y673 CarbonylContact O-C 3.49Å; G647-Y673 VanDerWaalsContact O-CA 3.22Å; G647-Y673 WeakPolarHBondContact O-CA 3.13Å; G647-Y673 WeakPolarHBondContact O-CB 3.11Å; G647-V674 PolarHBondContact N-O 3.49Å; G647-V674 PolarHBondContact O-N 2.93Å
648S93.9Very high89.1Confident7 Ų721.5 Ų21.55%0.04911%0.114CC..EExtended strand (participates in β ladder)trans-62.9127178.7176.70000112D632 K650 K653 L654D632-S648 VanDerWaalsContact CG-CB 3.46Å; D632-S648 PolarHBondContact O-N 3.16Å; D632-S648 WeakPolarHBondContact OD2-CB 3.1Å; D632-S648 PolarHBondContact OD2-OG 3.38Å; S648-K650 PolarHBondContact OG-N 3.13Å; S648-K653 WeakPolarHBondContact O-CE 3.38Å; S648-L654 WeakPolarHBondContact O-CD1 3.38Å; S648-L654 WeakPolarHBondContact O-CG 3.18Å
649N91.6Very high87.2Confident3 Ų326.5 Ų26.52%0.01613%0.132CC..  trans-105.223.7169.3-168.149.5000111.9G647 H651 N652 L654 L656 T657 D672G647-N649 PolarHBondContact O-N 3.33Å; N649-H651 PolarHBondContact O-N 2.85Å; N649-N652 PolarHBondContact ND2-OD1 2.85Å; N649-N652 VanDerWaalsContact ND2-OD1 3.13Å; N649-N652 WeakPolarHBondContact O-CA 3.33Å; N649-N652 PolarHBondContact O-N 3.18Å; N649-N652 WeakPolarHBondContact OD1-CA 3.28Å; N649-N652 PolarHBondContact OD1-OD1 3.05Å; N649-L654 HydrophobicContact CB-CB 4.47Å; N649-L654 HydrophobicContact CB-CD1 4.37Å; N649-L654 HydrophobicContact CB-CG 4.5Å; N649-L654 WeakPolarHBondContact OD1-CA 3.47Å; N649-L654 VanDerWaalsContact OD1-CB 3.3Å; N649-L654 WeakPolarHBondContact OD1-CB 3.37Å; N649-L654 PolarHBondContact OD1-N 2.84Å; N649-L656 HydrophobicContact CB-CD1 4.07Å; N649-T657 PolarHBondContact ND2-OG1 2.77Å; N649-D672 CarbonylContact C-O 3.52Å; N649-D672 WeakPolarHBondContact CA-O 3.39Å; N649-D672 PolarHBondContact N-O 2.87Å
650K89Confident85.3Confident55 Ų5528 Ų2824%0.23914%0.144CC..G310 helixtrans-50.5136.5172.5-166.3174.3176.3165.30109.8S648 N652 K653 D672 D776 D777S648-K650 PolarHBondContact OG-N 3.13Å; K650-N652 PolarHBondContact O-N 2.78Å; K650-N652 VanDerWaalsContact O-N 3.17Å; K650-K653 WeakPolarHBondContact O-CG 3.19Å; K650-K653 PolarHBondContact O-N 3.03Å; K650-D672 PolarHBondContact N-O 3.22Å; K650-D776 PolarHBondContact NZ-O 2.87Å; K650-D777 IonicContact NZ-OD1 3.73Å; K650-D777 PolarHBondContact NZ-OD1 3.14Å
651H86.8Confident83.2Confident66 Ų6627.2 Ų27.231%0.30615%0.151SC..G310 helixtrans59.813.7-172-47.1-72.7000116.3N649 K653 Y695 G710 R711N649-H651 PolarHBondContact O-N 2.85Å; H651-K653 VanDerWaalsContact C-N 3.27Å; H651-K653 PolarHBondContact O-N 2.81Å; H651-Y695 AromaticContact CD2-CD1 3.99Å; H651-Y695 AromaticContact NE2-CD1 3.92Å; H651-G710 CarbonylContact O-C 3.54Å; H651-G710 VanDerWaalsContact O-C 3.28Å; H651-G710 WeakPolarHBondContact O-CA 3.48Å; H651-R711 HydrophobicContact CB-CB 3.96Å
652N88.8Confident81.2Confident35 Ų3534.4 Ų34.419%0.18718%0.18CC..G310 helixtrans61.729.9-171.7-159.138.5000114.1N649 K650 L654 N655 L656 T657N649-N652 PolarHBondContact ND2-OD1 2.85Å; N649-N652 VanDerWaalsContact ND2-OD1 3.13Å; N649-N652 WeakPolarHBondContact O-CA 3.33Å; N649-N652 PolarHBondContact O-N 3.18Å; N649-N652 WeakPolarHBondContact OD1-CA 3.28Å; N649-N652 PolarHBondContact OD1-OD1 3.05Å; K650-N652 PolarHBondContact O-N 2.78Å; K650-N652 VanDerWaalsContact O-N 3.17Å; N652-L654 PolarHBondContact O-N 2.85Å; N652-L654 VanDerWaalsContact O-N 3.12Å; N652-N655 PolarHBondContact O-N 2.83Å; N652-L656 PolarHBondContact OD1-N 2.86Å; N652-L656 VanDerWaalsContact OD1-N 3.12Å; N652-T657 PolarHBondContact ND2-O 3.37Å; N652-T657 VanDerWaalsContact ND2-O 3.08Å; N652-T657 WeakPolarHBondContact OD1-CB 3.43Å; N652-T657 PolarHBondContact OD1-N 3.06Å
653K91.8Very high79.2Confident1 Ų142.7 Ų42.70%0.00421%0.213CC..THydrogen-bonded Turntrans-65.1-10.8-179.172.4-179167.8-172.10114.9D632 S648 K650 H651 S694 S697 F709D632-K653 WeakPolarHBondContact OD1-CE 3.3Å; D632-K653 IonicContact OD1-NZ 2.75Å; D632-K653 PolarHBondContact OD1-NZ 3.28Å; D632-K653 IonicContact OD2-NZ 2.75Å; D632-K653 PolarHBondContact OD2-NZ 2.86Å; S648-K653 WeakPolarHBondContact O-CE 3.38Å; K650-K653 WeakPolarHBondContact O-CG 3.19Å; K650-K653 PolarHBondContact O-N 3.03Å; H651-K653 VanDerWaalsContact C-N 3.27Å; H651-K653 PolarHBondContact O-N 2.81Å; K653-S694 WeakPolarHBondContact CD-O 3.22Å; K653-S694 PolarHBondContact NZ-O 2.75Å; K653-S697 WeakPolarHBondContact O-CB 3.32Å; K653-S697 PolarHBondContact O-OG 3.04Å; K653-F709 WeakPolarHBondContact O-CD2 3.19Å; K653-F709 WeakPolarHBondContact O-CE2 3.45Å
654L92Very high77Confident0 Ų045.6 Ų45.60%023%0.231CC..THydrogen-bonded Turntrans-105.55.9172.8-53.8179.6000111.9A633 M635 A645 S648 N649 N652 L656 L680A633-L654 HydrophobicContact CB-CD1 4.04Å; A633-L654 HydrophobicContact CB-CD2 3.81Å; A633-L654 HydrophobicContact CB-CG 4.39Å; M635-L654 HydrophobicContact CG-CD2 4.02Å; M635-L654 HydrophobicContact SD-CD2 3.8Å; A645-L654 HydrophobicContact CB-CB 4.18Å; A645-L654 HydrophobicContact CB-CD1 4.2Å; A645-L654 HydrophobicContact CB-CD2 4.3Å; A645-L654 HydrophobicContact CB-CG 4.46Å; S648-L654 WeakPolarHBondContact O-CD1 3.38Å; S648-L654 WeakPolarHBondContact O-CG 3.18Å; N649-L654 HydrophobicContact CB-CB 4.47Å; N649-L654 HydrophobicContact CB-CD1 4.37Å; N649-L654 HydrophobicContact CB-CG 4.5Å; N649-L654 WeakPolarHBondContact OD1-CA 3.47Å; N649-L654 VanDerWaalsContact OD1-CB 3.3Å; N649-L654 WeakPolarHBondContact OD1-CB 3.37Å; N649-L654 PolarHBondContact OD1-N 2.84Å; N652-L654 PolarHBondContact O-N 2.85Å; N652-L654 VanDerWaalsContact O-N 3.12Å; L654-L656 HydrophobicContact CB-CD1 3.73Å; L654-L656 HydrophobicContact CB-CG 4.02Å; L654-L656 HydrophobicContact CD1-CD1 3.98Å; L654-L656 PolarHBondContact O-N 2.96Å; L654-L680 WeakPolarHBondContact O-CD1 3.05Å; L654-L680 WeakPolarHBondContact O-CD2 3.31Å
655N89.2Confident74.8Confident7 Ų754.9 Ų54.94%0.03727%0.271CS..  trans56.430.3180-166.927.4000114.5N652 Q658 Q681 F709 V730N652-N655 PolarHBondContact O-N 2.83Å; N655-Q658 PolarHBondContact ND2-NE2 2.84Å; N655-Q658 VanDerWaalsContact ND2-NE2 3.11Å; N655-Q658 PolarHBondContact O-NE2 3.24Å; N655-Q658 VanDerWaalsContact O-NE2 3.1Å; N655-Q658 PolarHBondContact OD1-NE2 3.1Å; N655-Q681 PolarHBondContact ND2-O 2.84Å; N655-F709 HydrophobicContact CB-CD1 4.26Å; N655-F709 HydrophobicContact CB-CD2 3.55Å; N655-F709 HydrophobicContact CB-CE1 4.31Å; N655-F709 HydrophobicContact CB-CE2 3.58Å; N655-F709 HydrophobicContact CB-CG 3.88Å; N655-F709 HydrophobicContact CB-CZ 3.99Å; N655-V730 WeakPolarHBondContact ND2-CG2 3.29Å; N655-V730 WeakPolarHBondContact OD1-CG2 3.24Å
656L82.4Confident72.7Confident32 Ų3259.1 Ų59.117%0.16829%0.291CS..  trans-85-22.5-177.3-71.5162.1000113.3N649 N652 L654 V674 T678 L680N649-L656 HydrophobicContact CB-CD1 4.07Å; N652-L656 PolarHBondContact OD1-N 2.86Å; N652-L656 VanDerWaalsContact OD1-N 3.12Å; L654-L656 HydrophobicContact CB-CD1 3.73Å; L654-L656 HydrophobicContact CB-CG 4.02Å; L654-L656 HydrophobicContact CD1-CD1 3.98Å; L654-L656 PolarHBondContact O-N 2.96Å; L656-V674 HydrophobicContact CD1-CB 4.06Å; L656-V674 HydrophobicContact CD1-CG2 3.57Å; L656-T678 HydrophobicContact CD2-CG2 3.63Å; L656-L680 HydrophobicContact CD2-CD2 3.33Å; L656-L680 HydrophobicContact CG-CD2 3.71Å
657T72.4Confident70.7Confident18 Ų1867.1 Ų67.111%0.1133%0.326CS..  trans-91.7104175-54.20000108.5N649 N652 K668 V727N649-T657 PolarHBondContact ND2-OG1 2.77Å; N652-T657 PolarHBondContact ND2-O 3.37Å; N652-T657 VanDerWaalsContact ND2-O 3.08Å; N652-T657 WeakPolarHBondContact OD1-CB 3.43Å; N652-T657 PolarHBondContact OD1-N 3.06Å; T657-K668 HydrophobicContact CG2-CG 4.28Å; T657-V727 HydrophobicContact CG2-CG1 3.86Å; T657-V727 HydrophobicContact CG2-CG2 4.44Å
658Q61.2Low68.7Low50 Ų5074.1 Ų74.123%0.23436%0.357CS..  trans-127.4143.6177.4-63.3-174.97.600111N655 Q681N655-Q658 PolarHBondContact ND2-NE2 2.84Å; N655-Q658 VanDerWaalsContact ND2-NE2 3.11Å; N655-Q658 PolarHBondContact O-NE2 3.24Å; N655-Q658 VanDerWaalsContact O-NE2 3.1Å; N655-Q658 PolarHBondContact OD1-NE2 3.1Å; Q658-Q681 PolarHBondContact NE2-O 3.45Å
659R55.4Low67Low105 Ų10575.2 Ų75.240%0.39636%0.363SS..  trans-89.4112.1175.9-170.8174.4178.2160.5-4.3109G661 F662 T664 V727R659-G661 PolarHBondContact O-N 3.06Å; R659-F662 PolarHBondContact NH2-O 3.5Å; R659-T664 PolarHBondContact NE-O 2.9Å; R659-V727 HydrophobicContact CB-CB 4.46Å; R659-V727 HydrophobicContact CB-CG1 4.06Å; R659-V727 WeakPolarHBondContact CB-O 3.4Å; R659-V727 PolarHBondContact N-O 3.3Å
660V50.7Low65.4Low110 Ų11081.5 Ų81.567%0.66740%0.404SS*.  trans-88.481.3-178.5-172.60000109.8T664V660-T664 WeakPolarHBondContact O-CB 3.5Å; V660-T664 WeakPolarHBondContact O-CG2 3.25Å; V660-T664 PolarHBondContact O-OG1 3.36Å
661G43.1Very low64.4Low47 Ų4782.5 Ų82.549%0.48541%0.412SS..SBendtrans101.4165.6176.800000115.2R659 F663 T664R659-G661 PolarHBondContact O-N 3.06Å; G661-F663 PolarHBondContact O-N 3.2Å; G661-T664 PolarHBondContact O-OG1 3.07Å
662F47.7Very low64.2Low160 Ų16084.3 Ų84.370%0.70242%0.424SS*.SBendtrans-67.9-35.4-171.3-130.7-94.7000112.9R659R659-F662 PolarHBondContact NH2-O 3.5Å
663F50.6Low64.1Low199 Ų19985.5 Ų85.587%0.87343%0.426SS*.SBendtrans-103.4-3.2-171.9-64.5-76.9000115.3G661G661-F663 PolarHBondContact O-N 3.2Å
664T47.1Very low64Low62 Ų6286.1 Ų86.138%0.3843%0.43SS..SBendtrans-85.8143.7-178.355.70000111.5R659 V660 G661R659-T664 PolarHBondContact NE-O 2.9Å; V660-T664 WeakPolarHBondContact O-CB 3.5Å; V660-T664 WeakPolarHBondContact O-CG2 3.25Å; V660-T664 PolarHBondContact O-OG1 3.36Å; G661-T664 PolarHBondContact O-OG1 3.07Å
665K49.6Very low63.9Low195 Ų19589.3 Ų89.385%0.84845%0.447SS*.PPolyproline II helixtrans-63.7147.7168.8-73-176.9177179.70109.4K667K665-K667 PolarHBondContact O-N 2.74Å
666E52.5Low64Low89 Ų8995.3 Ų95.342%0.41647%0.473SS..PPolyproline II helixtrans-53.7122.9172.6-69177.9173.800109.8K668 V727E666-K668 VanDerWaalsContact C-N 3.26Å; E666-K668 PolarHBondContact O-N 2.95Å; E666-V727 HydrophobicContact CG-CB 4.2Å; E666-V727 HydrophobicContact CG-CG1 4.1Å; E666-V727 HydrophobicContact CG-CG2 4.27Å; E666-V727 WeakPolarHBondContact OE1-CG2 3.36Å
667K52.6Low64.6Low168 Ų16894.5 Ų94.573%0.7347%0.469SS*.  trans-82.781.6171.3-153.5178.4-174-177.90106.8K665K665-K667 PolarHBondContact O-N 2.74Å
668K55Low65.6Low148 Ų14895.2 Ų95.264%0.64347%0.474SS*.  trans-66.3138.2169.3-70.5-171.6176.3-172.90108.4T657 E666T657-K668 HydrophobicContact CG2-CG 4.28Å; E666-K668 VanDerWaalsContact C-N 3.26Å; E666-K668 PolarHBondContact O-N 2.95Å
669T57.9Low67.1Low30 Ų3095.3 Ų95.318%0.18448%0.475CS..  trans-60.4136162.144.30000107.2N671 V674T669-N671 CarbonylContact C-O 3.44Å; T669-N671 WeakPolarHBondContact CB-O 3.49Å; T669-N671 PolarHBondContact O-N 2.91Å; T669-N671 VanDerWaalsContact O-N 3.12Å; T669-N671 PolarHBondContact OG1-O 3.3Å; T669-V674 HydrophobicContact CG2-CG2 3.94Å
670P57.3Low68.7Low134 Ų13490.7 Ų90.787%0.8746%0.459SS*.SBendtrans-58-28.2-17717.8-28.8000112.3
671N68.5Low70.3Confident77 Ų7791.4 Ų91.441%0.41245%0.454SS..SBendtrans-116.7154170.6-59.5-16000109.6T669 Y673T669-N671 CarbonylContact C-O 3.44Å; T669-N671 WeakPolarHBondContact CB-O 3.49Å; T669-N671 PolarHBondContact O-N 2.91Å; T669-N671 VanDerWaalsContact O-N 3.12Å; T669-N671 PolarHBondContact OG1-O 3.3Å; N671-Y673 HydrophobicContact CB-CD1 3.72Å; N671-Y673 HydrophobicContact CB-CE1 3.48Å; N671-Y673 VanDerWaalsContact CB-CE1 3.48Å; N671-Y673 HydrophobicContact CB-CE2 4.44Å; N671-Y673 HydrophobicContact CB-CG 4.29Å; N671-Y673 VanDerWaalsContact ND2-CZ 3.33Å; N671-Y673 PolarHBondContact ND2-OH 3.18Å; N671-Y673 PolarHBondContact O-N 3.15Å
672D81.5Confident71.9Confident103 Ų10390.6 Ų90.655%0.55145%0.447SS*.SBendtrans-71.920.9174.3-81.5-11.5000113.1N649 K650N649-D672 CarbonylContact C-O 3.52Å; N649-D672 WeakPolarHBondContact CA-O 3.39Å; N649-D672 PolarHBondContact N-O 2.87Å; K650-D672 PolarHBondContact N-O 3.22Å
673Y87.5Confident73.7Confident61 Ų6184.7 Ų84.724%0.23942%0.421CS..EExtended strand (participates in β ladder)trans-148.3163177.966.9-94.3000111.5Y599 L607 G647 N671 N675Y599-Y673 VanDerWaalsContact O-CB 3.31Å; Y599-Y673 WeakPolarHBondContact O-CB 3.07Å; L607-Y673 HydrophobicContact CD1-CE2 4.1Å; L607-Y673 WeakPolarHBondContact CD1-OH 3.38Å; L607-Y673 HydrophobicContact CD2-CE2 3.95Å; G647-Y673 CarbonylContact O-C 3.49Å; G647-Y673 VanDerWaalsContact O-CA 3.22Å; G647-Y673 WeakPolarHBondContact O-CA 3.13Å; G647-Y673 WeakPolarHBondContact O-CB 3.11Å; N671-Y673 HydrophobicContact CB-CD1 3.72Å; N671-Y673 HydrophobicContact CB-CE1 3.48Å; N671-Y673 VanDerWaalsContact CB-CE1 3.48Å; N671-Y673 HydrophobicContact CB-CE2 4.44Å; N671-Y673 HydrophobicContact CB-CG 4.29Å; N671-Y673 VanDerWaalsContact ND2-CZ 3.33Å; N671-Y673 PolarHBondContact ND2-OH 3.18Å; N671-Y673 PolarHBondContact O-N 3.15Å; Y673-N675 HydrophobicContact CE2-CB 4.41Å
674V89.7Confident75.2Confident14 Ų1479.6 Ų79.69%0.08541%0.407CS..EExtended strand (participates in β ladder)trans-131116.7177.4178.10000110.5M646 G647 L656 T669 K676 T678M646-V674 WeakPolarHBondContact CA-O 3.41Å; G647-V674 PolarHBondContact N-O 3.49Å; G647-V674 PolarHBondContact O-N 2.93Å; L656-V674 HydrophobicContact CD1-CB 4.06Å; L656-V674 HydrophobicContact CD1-CG2 3.57Å; T669-V674 HydrophobicContact CG2-CG2 3.94Å; V674-K676 HydrophobicContact CG1-CG 4.19Å; V674-K676 VanDerWaalsContact CG1-O 3.3Å; V674-K676 WeakPolarHBondContact CG1-O 3.16Å; V674-T678 WeakPolarHBondContact CG1-OG1 3.16Å
675N90.3Very high77Confident66 Ų6678.4 Ų78.435%0.35340%0.398SS..EExtended strand (participates in β ladder)trans-95.317.9-174.667.6-22.1000114.1G603 L607 Y673G603-N675 CarbonylContact C-O 3.56Å; G603-N675 WeakPolarHBondContact CA-O 3.34Å; L607-N675 HydrophobicContact CD2-CB 4.12Å; Y673-N675 HydrophobicContact CE2-CB 4.41Å
676K91.6Very high78.7Confident133 Ų13373.8 Ų73.858%0.57838%0.375SS*.EExtended strand (participates in β ladder)trans-138.5145.6172.765.2-179.3-177.7177.40109.7V674 T678V674-K676 HydrophobicContact CG1-CG 4.19Å; V674-K676 VanDerWaalsContact CG1-O 3.3Å; V674-K676 WeakPolarHBondContact CG1-O 3.16Å; K676-T678 PolarHBondContact O-N 3.08Å; K676-T678 PolarHBondContact O-OG1 3.23Å
677P94.6Very high80.6Confident15 Ų1569.8 Ų69.810%0.09736%0.356CS..EExtended strand (participates in β ladder)trans-55.2117.5175.5-26.637.4000110.7G603 I616 P617 M618 P619 I644 M646G603-P677 WeakPolarHBondContact O-CD 3.21Å; I616-P677 HydrophobicContact CG2-CG 3.63Å; P617-P677 WeakPolarHBondContact O-CG 3.43Å; M618-P677 HydrophobicContact CE-CG 4.12Å; M618-P677 HydrophobicContact SD-CB 4.08Å; M618-P677 HydrophobicContact SD-CG 4.22Å; P619-P677 HydrophobicContact CG-CB 4.42Å; I644-P677 HydrophobicContact CG2-CB 3.67Å; M646-P677 HydrophobicContact CE-CB 3.75Å; M646-P677 HydrophobicContact CE-CG 3.72Å; M646-P677 HydrophobicContact SD-CG 4.23Å
678T93Very high82.4Confident34 Ų3464.8 Ų64.821%0.20934%0.34CS..EExtended strand (participates in β ladder)trans-123.6124-173.5-630000110.3I644 A645 L656 V674 K676 L680I644-T678 CarbonylContact C-O 3.53Å; I644-T678 WeakPolarHBondContact CA-O 3.4Å; A645-T678 PolarHBondContact N-O 2.84Å; A645-T678 PolarHBondContact O-N 2.88Å; L656-T678 HydrophobicContact CD2-CG2 3.63Å; V674-T678 WeakPolarHBondContact CG1-OG1 3.16Å; K676-T678 PolarHBondContact O-N 3.08Å; K676-T678 PolarHBondContact O-OG1 3.23Å; T678-L680 PolarHBondContact O-N 3.02Å
679I92.2Very high84.2Confident52 Ų5258.8 Ų58.827%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-68.9120.8177.6-58.5168.3000108.7P619 I644P619-I679 HydrophobicContact CB-CD1 4.16Å; P619-I679 HydrophobicContact CB-CG1 4.46Å; P619-I679 HydrophobicContact CG-CD1 4.36Å; P619-I679 HydrophobicContact CG-CG1 4.11Å; I644-I679 HydrophobicContact CG1-CG1 3.95Å
680L90.8Very high86Confident8 Ų857.3 Ų57.34%0.04231%0.306CS..  trans-73.4137.1173.8-58.6-169.7000110.1M635 L643 A645 L654 L656 T678 F683M635-L680 HydrophobicContact CE-CD1 3.96Å; L643-L680 HydrophobicContact CB-CB 4.4Å; L643-L680 HydrophobicContact CB-CD1 4.46Å; L643-L680 HydrophobicContact CD2-CD1 3.99Å; L643-L680 HydrophobicContact CG-CD1 4.06Å; L643-L680 WeakPolarHBondContact O-CB 3.35Å; L643-L680 PolarHBondContact O-N 3.49Å; A645-L680 HydrophobicContact CB-CD1 3.91Å; A645-L680 HydrophobicContact CB-CD2 3.78Å; A645-L680 HydrophobicContact CB-CG 3.92Å; L654-L680 WeakPolarHBondContact O-CD1 3.05Å; L654-L680 WeakPolarHBondContact O-CD2 3.31Å; L656-L680 HydrophobicContact CD2-CD2 3.33Å; L656-L680 HydrophobicContact CG-CD2 3.71Å; T678-L680 PolarHBondContact O-N 3.02Å; L680-F683 HydrophobicContact CB-CE2 3.8Å; L680-F683 HydrophobicContact CD1-CE2 4.42Å
681Q83.7Confident87.9Confident124 Ų12451.3 Ų51.358%0.57927%0.267SS*.  trans-109173.9179.9-63-63.2-41.300110.3N655 Q658N655-Q681 PolarHBondContact ND2-O 2.84Å; Q658-Q681 PolarHBondContact NE2-O 3.45Å
682G76.2Confident89.2Confident31 Ų3148.3 Ų48.332%0.3225%0.251SS..  trans86.213.8169.300000115.7
683F86.5Confident89.8Confident36 Ų3643.7 Ų43.716%0.15823%0.228CC..  trans-95.5128.6166.9-54.4-60.8000109.3L643 L680 E685 V687 V699 L701 M707 F709L643-F683 HydrophobicContact CB-CE2 4.24Å; L643-F683 HydrophobicContact CD2-CE2 3.93Å; L643-F683 HydrophobicContact CD2-CZ 4.14Å; L680-F683 HydrophobicContact CB-CE2 3.8Å; L680-F683 HydrophobicContact CD1-CE2 4.42Å; F683-E685 PolarHBondContact O-N 2.82Å; F683-V687 HydrophobicContact CB-CG2 4.41Å; F683-V687 HydrophobicContact CD2-CG2 3.96Å; F683-V687 HydrophobicContact CE2-CG2 4.41Å; F683-V687 HydrophobicContact CG-CG2 4.07Å; F683-V699 HydrophobicContact CD1-CG2 3.9Å; F683-V699 HydrophobicContact CE1-CG1 4.23Å; F683-V699 HydrophobicContact CE1-CG2 3.56Å; F683-V699 HydrophobicContact CZ-CG1 4.11Å; F683-V699 HydrophobicContact CZ-CG2 4.26Å; F683-L701 HydrophobicContact CB-CD2 4.16Å; F683-L701 HydrophobicContact CD1-CD2 4.49Å; F683-M707 HydrophobicContact CD1-SD 3.89Å; F683-F709 AromaticContact CE1-CE1 3.87Å; F683-F709 HydrophobicContact CE1-CE1 3.87Å; F683-F709 AromaticContact CZ-CE1 3.91Å; F683-F709 HydrophobicContact CZ-CE1 3.91Å; F683-F709 HydrophobicContact CZ-CZ 4.15Å
684P82.4Confident90Very high91 Ų9141.1 Ų41.159%0.59122%0.219SC*.SBendtrans-73.8-14.1-177.329.1-33.7000113.1L701P684-L701 HydrophobicContact CG-CD1 3.72Å
685E83.5Confident90.1Very high38 Ų3841.4 Ų41.418%0.17822%0.219CC..SBendtrans-142.8171.6-175.1-50.4-168.9141.700110.5K392 F683 L701 S703K392-E685 VanDerWaalsContact CE-CD 3.5Å; K392-E685 WeakPolarHBondContact CE-OE1 3.41Å; K392-E685 VanDerWaalsContact NZ-CD 3.3Å; K392-E685 IonicContact NZ-OE1 3.94Å; K392-E685 PolarHBondContact NZ-OE1 3.44Å; F683-E685 PolarHBondContact O-N 2.82Å; E685-L701 HydrophobicContact CB-CB 4.27Å; E685-L701 HydrophobicContact CB-CD1 4.28Å; E685-L701 HydrophobicContact CG-CD1 4.34Å; E685-S703 WeakPolarHBondContact OE2-CB 3.32Å; E685-S703 PolarHBondContact OE2-N 3.37Å; E685-S703 PolarHBondContact OE2-OG 3.38Å
686R86.7Confident90.3Very high98 Ų9838.3 Ų38.337%0.3720%0.202SC..  trans-62.3136.9173.9-64.3174.570.5-153.57109.7D639 D640 L701 E702D639-R686 PolarHBondContact O-NH2 3.4Å; D640-R686 WeakPolarHBondContact O-CG 3.14Å; D640-R686 PolarHBondContact O-NE 3.25Å; R686-L701 WeakPolarHBondContact O-CA 2.99Å; R686-E702 HydrophobicContact CB-CB 4.44Å; R686-E702 IonicContact NH1-OE1 2.9Å; R686-E702 PolarHBondContact NH1-OE1 3.07Å; R686-E702 VanDerWaalsContact NH1-OE1 3.11Å; R686-E702 PolarHBondContact O-N 3.31Å
687V91.7Very high90.5Very high4 Ų432 Ų322%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-80.1136.6171.4177.40000108.2L637 G641 L643 F683 D689 F690 V699 L701L637-V687 HydrophobicContact CD1-CB 3.92Å; L637-V687 HydrophobicContact CD1-CG1 4.16Å; L637-V687 WeakPolarHBondContact CD1-O 3.41Å; G641-V687 PolarHBondContact O-N 3.4Å; L643-V687 HydrophobicContact CB-CG2 4.41Å; L643-V687 HydrophobicContact CD1-CG1 4.45Å; L643-V687 HydrophobicContact CD2-CG1 4.3Å; L643-V687 HydrophobicContact CD2-CG2 4.32Å; F683-V687 HydrophobicContact CB-CG2 4.41Å; F683-V687 HydrophobicContact CD2-CG2 3.96Å; F683-V687 HydrophobicContact CE2-CG2 4.41Å; F683-V687 HydrophobicContact CG-CG2 4.07Å; V687-D689 WeakPolarHBondContact CG1-O 3.23Å; V687-F690 HydrophobicContact CG1-CB 4.49Å; V687-F690 HydrophobicContact CG1-CD1 4.37Å; V687-V699 HydrophobicContact CG1-CB 4.11Å; V687-V699 HydrophobicContact CG1-CG1 4.37Å; V687-V699 HydrophobicContact CG2-CB 4.42Å; V687-L701 HydrophobicContact CG2-CD2 4.18Å
688V90.1Very high90.5Very high64 Ų6431.2 Ų31.239%0.38817%0.17SC..EExtended strand (participates in β ladder)trans-113-29178.7-64.90000113.1I700 E702V688-I700 HydrophobicContact CG2-CB 4.11Å; V688-I700 HydrophobicContact CG2-CG2 3.67Å; V688-I700 WeakPolarHBondContact CG2-O 3.3Å; V688-I700 PolarHBondContact N-O 3.48Å; V688-E702 HydrophobicContact CG1-CB 4Å; V688-E702 HydrophobicContact CG1-CG 3.96Å
689D92.5Very high90.7Very high21 Ų2129.6 Ų29.611%0.11216%0.16CC..EExtended strand (participates in β ladder)trans-152.4164.2171.4-170.922.8000109.3K628 V687 I700K628-D689 WeakPolarHBondContact CE-OD1 3.37Å; K628-D689 IonicContact NZ-OD1 3.01Å; K628-D689 PolarHBondContact NZ-OD1 3.32Å; K628-D689 IonicContact NZ-OD2 2.56Å; V687-D689 WeakPolarHBondContact CG1-O 3.23Å; D689-I700 HydrophobicContact CB-CB 4.42Å; D689-I700 HydrophobicContact CB-CD1 4.42Å; D689-I700 PolarHBondContact O-N 2.88Å
690F96.2Very high90.7Very high0 Ų027.3 Ų27.30%015%0.148CC..EExtended strand (participates in β ladder)trans-157169.5-179.557.8-85.2000111.3Y626 K628 M635 L637 L643 V687 V692 G698 V699Y626-F690 AromaticContact CD1-CE1 3.72Å; Y626-F690 HydrophobicContact CD1-CE1 3.72Å; Y626-F690 HydrophobicContact CD1-CZ 4.17Å; Y626-F690 HydrophobicContact CE1-CE1 4.03Å; Y626-F690 HydrophobicContact CE1-CZ 4.33Å; K628-F690 HydrophobicContact CB-CD2 4.4Å; K628-F690 HydrophobicContact CB-CE2 3.68Å; K628-F690 HydrophobicContact CB-CZ 4.32Å; K628-F690 HydrophobicContact CD-CD2 4.43Å; K628-F690 HydrophobicContact CD-CE2 4.33Å; K628-F690 WeakPolarHBondContact CD-O 3.48Å; K628-F690 WeakPolarHBondContact CE-O 2.95Å; K628-F690 HydrophobicContact CG-CD2 4.48Å; K628-F690 HydrophobicContact CG-CE2 3.89Å; K628-F690 HydrophobicContact CG-CZ 4.24Å; K628-F690 PolarHBondContact NZ-O 3.41Å; M635-F690 HydrophobicContact CB-CD2 3.82Å; M635-F690 HydrophobicContact CB-CE2 3.41Å; M635-F690 VanDerWaalsContact CB-CE2 3.41Å; M635-F690 HydrophobicContact CB-CZ 4.16Å; M635-F690 HydrophobicContact CE-CD2 4.09Å; M635-F690 HydrophobicContact CE-CG 4.45Å; M635-F690 WeakPolarHBondContact O-CE2 3.12Å; M635-F690 VanDerWaalsContact O-CZ 3.28Å; M635-F690 WeakPolarHBondContact O-CZ 2.79Å; L637-F690 HydrophobicContact CB-CE1 3.83Å; L643-F690 HydrophobicContact CD1-CD1 3.58Å; L643-F690 HydrophobicContact CD1-CD2 4.35Å; L643-F690 HydrophobicContact CD1-CE1 3.74Å; L643-F690 HydrophobicContact CD1-CE2 4.46Å; L643-F690 HydrophobicContact CD1-CG 3.92Å; L643-F690 HydrophobicContact CD1-CZ 4.17Å; V687-F690 HydrophobicContact CG1-CB 4.49Å; V687-F690 HydrophobicContact CG1-CD1 4.37Å; F690-V692 HydrophobicContact CD2-CG2 3.99Å; F690-V692 HydrophobicContact CE2-CG2 4.05Å; F690-G698 CarbonylContact C-O 3.58Å; F690-G698 WeakPolarHBondContact CA-O 3.39Å; F690-G698 VanDerWaalsContact CB-O 3.29Å; F690-G698 WeakPolarHBondContact CB-O 3.3Å; F690-V699 HydrophobicContact CB-CB 4.38Å; F690-V699 HydrophobicContact CB-CG1 3.86Å
691S96.7Very high90.7Very high7 Ų726.9 Ų26.95%0.04915%0.146CC..EExtended strand (participates in β ladder)trans-138.9137.9171.4179.10000110S697 G698 V744 C746S691-S697 WeakPolarHBondContact O-CA 3.48Å; S691-S697 WeakPolarHBondContact O-CB 3.44Å; S691-G698 PolarHBondContact N-O 3.01Å; S691-G698 PolarHBondContact O-N 3.42Å; S691-V744 WeakPolarHBondContact CB-O 3.31Å; S691-C746 PolarHBondContact OG-N 2.97Å
692V95.4Very high90.5Very high15 Ų1521.5 Ų21.59%0.09112%0.12CC..EExtended strand (participates in β ladder)trans-107.994.7-178.4-167.90000108.2K628 A633 M635 F690K628-V692 HydrophobicContact CB-CG2 4.11Å; A633-V692 HydrophobicContact CB-CG1 4.3Å; M635-V692 HydrophobicContact CB-CG2 3.69Å; M635-V692 HydrophobicContact CG-CG2 3.78Å; M635-V692 HydrophobicContact SD-CB 4.45Å; M635-V692 HydrophobicContact SD-CG1 4.29Å; M635-V692 HydrophobicContact SD-CG2 3.62Å; F690-V692 HydrophobicContact CD2-CG2 3.99Å; F690-V692 HydrophobicContact CE2-CG2 4.05Å
693G94.2Very high90.6Very high5 Ų520.3 Ų20.35%0.05211%0.107CC..  trans-85.2173.3176.300000112.5Y695 H696G693-Y695 VanDerWaalsContact C-N 3.3Å; G693-Y695 PolarHBondContact O-N 2.9Å; G693-H696 CarbonylContact C-O 3.54Å; G693-H696 WeakPolarHBondContact CA-O 3.46Å; G693-H696 PolarHBondContact N-O 3.01Å
694S92.6Very high90.4Very high8 Ų819 Ų196%0.05610%0.104CC..SBendtrans-66.5-32.7177.9-54.60000112.7K653 D748K653-S694 WeakPolarHBondContact CD-O 3.22Å; K653-S694 PolarHBondContact NZ-O 2.75Å; S694-D748 WeakPolarHBondContact CB-OD1 3.44Å; S694-D748 PolarHBondContact OG-OD1 3.44Å
695Y92.6Very high90.6Very high20 Ų2017.3 Ų17.38%0.0789%0.088CC..SBendtrans-127.5-22.7-171.3-50.7-72.3000114.3H651 G693 R711 D748 V773H651-Y695 AromaticContact CD2-CD1 3.99Å; H651-Y695 AromaticContact NE2-CD1 3.92Å; G693-Y695 VanDerWaalsContact C-N 3.3Å; G693-Y695 PolarHBondContact O-N 2.9Å; Y695-R711 WeakPolarHBondContact O-CB 3.31Å; Y695-R711 PolarHBondContact O-N 2.91Å; Y695-D748 HydrophobicContact CE2-CB 4.21Å; Y695-V773 VanDerWaalsContact OH-CG1 3.29Å; Y695-V773 WeakPolarHBondContact OH-CG1 3.38Å
696H93.8Very high91.1Very high0 Ų015.6 Ų15.60%08%0.08CC..EExtended strand (participates in β ladder)trans-145.1159.1176.969.4-82.9000109.4G693 F709 C746 G747 F750 T751G693-H696 CarbonylContact C-O 3.54Å; G693-H696 WeakPolarHBondContact CA-O 3.46Å; G693-H696 PolarHBondContact N-O 3.01Å; H696-F709 CarbonylContact C-O 3.53Å; H696-F709 VanDerWaalsContact CA-O 3.31Å; H696-F709 WeakPolarHBondContact CA-O 3.49Å; H696-F709 WeakPolarHBondContact CB-O 3.37Å; H696-C746 PolarHBondContact CD2-SG 3.22Å; H696-C746 VanDerWaalsContact NE2-CB 3.33Å; H696-C746 WeakPolarHBondContact NE2-CB 3.46Å; H696-C746 WeakPolarHBondContact O-CB 3.14Å; H696-G747 PolarHBondContact CE1-O 2.77Å; H696-F750 PolarHBondContact CE1-O 2.81Å; H696-F750 PolarHBondContact NE2-O 3.46Å; H696-T751 PolarHBondContact NE2-OG1 3.18Å
697S95.7Very high91.3Very high0 Ų011 Ų110%06%0.063CC..EExtended strand (participates in β ladder)trans-133154.7178-58.10000109.5K653 S691 I708 F709 C746K653-S697 WeakPolarHBondContact O-CB 3.32Å; K653-S697 PolarHBondContact O-OG 3.04Å; S691-S697 WeakPolarHBondContact O-CA 3.48Å; S691-S697 WeakPolarHBondContact O-CB 3.44Å; S697-I708 WeakPolarHBondContact O-CA 3.38Å; S697-I708 WeakPolarHBondContact O-CG2 3.43Å; S697-F709 PolarHBondContact N-O 2.68Å; S697-F709 PolarHBondContact O-N 3.17Å; S697-C746 VanDerWaalsContact C-SG 3.56Å
698G95.1Very high91.4Very high0 Ų011 Ų110%06%0.063CC..EExtended strand (participates in β ladder)trans-127.3147.9-179.500000110.6F690 S691 M707 C746F690-G698 CarbonylContact C-O 3.58Å; F690-G698 WeakPolarHBondContact CA-O 3.39Å; F690-G698 VanDerWaalsContact CB-O 3.29Å; F690-G698 WeakPolarHBondContact CB-O 3.3Å; S691-G698 PolarHBondContact N-O 3.01Å; S691-G698 PolarHBondContact O-N 3.42Å; G698-M707 CarbonylContact C-O 3.56Å; G698-M707 WeakPolarHBondContact CA-O 3.34Å; G698-C746 PolarHBondContact N-SG 3.36Å
699V95.6Very high91.5Very high0 Ų08 Ų80%05%0.045CC..EExtended strand (participates in β ladder)trans-129.1144.1172.9-58.30000109.7L643 F683 V687 F690 L701 V706 M707 F709L643-V699 HydrophobicContact CD2-CG1 3.51Å; F683-V699 HydrophobicContact CD1-CG2 3.9Å; F683-V699 HydrophobicContact CE1-CG1 4.23Å; F683-V699 HydrophobicContact CE1-CG2 3.56Å; F683-V699 HydrophobicContact CZ-CG1 4.11Å; F683-V699 HydrophobicContact CZ-CG2 4.26Å; V687-V699 HydrophobicContact CG1-CB 4.11Å; V687-V699 HydrophobicContact CG1-CG1 4.37Å; V687-V699 HydrophobicContact CG2-CB 4.42Å; F690-V699 HydrophobicContact CB-CB 4.38Å; F690-V699 HydrophobicContact CB-CG1 3.86Å; V699-L701 HydrophobicContact CG2-CD2 4.44Å; V699-V706 WeakPolarHBondContact O-CA 3.44Å; V699-M707 HydrophobicContact CG2-CB 3.73Å; V699-M707 HydrophobicContact CG2-CG 4.36Å; V699-M707 HydrophobicContact CG2-SD 4.45Å; V699-M707 PolarHBondContact N-O 3.27Å; V699-M707 PolarHBondContact O-N 2.94Å; V699-F709 HydrophobicContact CG1-CE1 3.84Å; V699-F709 HydrophobicContact CG1-CZ 4.01Å; V699-F709 HydrophobicContact CG2-CE1 4.23Å
700I93.1Very high91.4Very high3 Ų37.5 Ų7.52%0.0155%0.045CC..EExtended strand (participates in β ladder)trans-103.3124.2167.6-62.8175.7000107V688 D689 Q705 V706 C741 H743 V744V688-I700 HydrophobicContact CG2-CB 4.11Å; V688-I700 HydrophobicContact CG2-CG2 3.67Å; V688-I700 WeakPolarHBondContact CG2-O 3.3Å; V688-I700 PolarHBondContact N-O 3.48Å; D689-I700 HydrophobicContact CB-CB 4.42Å; D689-I700 HydrophobicContact CB-CD1 4.42Å; D689-I700 PolarHBondContact O-N 2.88Å; I700-Q705 WeakPolarHBondContact CA-O 3.49Å; I700-V706 HydrophobicContact CG1-CG2 4.17Å; I700-C741 HydrophobicContact CD1-CB 4.39Å; I700-H743 VanDerWaalsContact CD1-C 3.43Å; I700-V744 HydrophobicContact CD1-CB 4.04Å; I700-V744 HydrophobicContact CD1-CG1 4Å; I700-V744 HydrophobicContact CG1-CB 3.98Å; I700-V744 HydrophobicContact CG1-CG1 3.72Å
701L90.1Very high91.1Very high0 Ų010.2 Ų10.20%06%0.055CC..EExtended strand (participates in β ladder)trans-81.7160.5171.9-58.8-174.4000110.5F683 P684 E685 R686 V687 V699 S703 G704 Q705 M707F683-L701 HydrophobicContact CB-CD2 4.16Å; F683-L701 HydrophobicContact CD1-CD2 4.49Å; P684-L701 HydrophobicContact CG-CD1 3.72Å; E685-L701 HydrophobicContact CB-CB 4.27Å; E685-L701 HydrophobicContact CB-CD1 4.28Å; E685-L701 HydrophobicContact CG-CD1 4.34Å; R686-L701 WeakPolarHBondContact O-CA 2.99Å; V687-L701 HydrophobicContact CG2-CD2 4.18Å; V699-L701 HydrophobicContact CG2-CD2 4.44Å; L701-S703 PolarHBondContact O-N 2.83Å; L701-G704 WeakPolarHBondContact O-CA 3.49Å; L701-G704 PolarHBondContact O-N 3.34Å; L701-Q705 HydrophobicContact CB-CB 4.42Å; L701-Q705 HydrophobicContact CD1-CB 4.32Å; L701-Q705 PolarHBondContact N-O 2.85Å; L701-M707 HydrophobicContact CD1-CG 4.27Å; L701-M707 HydrophobicContact CD1-SD 3.67Å; L701-M707 HydrophobicContact CD2-SD 4.06Å; L701-M707 HydrophobicContact CG-CG 4.39Å; L701-M707 HydrophobicContact CG-SD 4.03Å
702E80.8Confident90.8Very high10 Ų1010 Ų105%0.0475%0.053CC..THydrogen-bonded Turntrans-52.2-29.3176.8-152.7173.2-157.700113.8K392 G393 R686 V688 G704K392-E702 WeakPolarHBondContact CA-OE1 3.47Å; K392-E702 HydrophobicContact CB-CG 4.01Å; K392-E702 WeakPolarHBondContact CB-OE1 3.26Å; K392-E702 WeakPolarHBondContact CB-OE2 3.35Å; K392-E702 VanDerWaalsContact CD-OE2 3.26Å; K392-E702 WeakPolarHBondContact CD-OE2 3.4Å; K392-E702 HydrophobicContact CG-CB 4.28Å; K392-E702 HydrophobicContact CG-CG 3.97Å; K392-E702 WeakPolarHBondContact CG-OE2 3.32Å; G393-E702 WeakPolarHBondContact CA-OE1 2.95Å; G393-E702 PolarHBondContact N-OE1 3.01Å; R686-E702 HydrophobicContact CB-CB 4.44Å; R686-E702 IonicContact NH1-OE1 2.9Å; R686-E702 PolarHBondContact NH1-OE1 3.07Å; R686-E702 VanDerWaalsContact NH1-OE1 3.11Å; R686-E702 PolarHBondContact O-N 3.31Å; V688-E702 HydrophobicContact CG1-CB 4Å; V688-E702 HydrophobicContact CG1-CG 3.96Å; E702-G704 PolarHBondContact O-N 3.42Å
703S77Confident90.4Very high6 Ų612.4 Ų12.44%0.0427%0.065CC..THydrogen-bonded Turntrans-69.2-12.2173.448.90000116.1E685 L701 Q705E685-S703 WeakPolarHBondContact OE2-CB 3.32Å; E685-S703 PolarHBondContact OE2-N 3.37Å; E685-S703 PolarHBondContact OE2-OG 3.38Å; L701-S703 PolarHBondContact O-N 2.83Å; S703-Q705 VanDerWaalsContact C-N 3.31Å; S703-Q705 WeakPolarHBondContact OG-CG 3.35Å
704G82Confident90.1Very high9 Ų912.9 Ų12.99%0.0937%0.067CC..SBendtrans85.41.2-168.100000113.5L701 E702 C741L701-G704 WeakPolarHBondContact O-CA 3.49Å; L701-G704 PolarHBondContact O-N 3.34Å; E702-G704 PolarHBondContact O-N 3.42Å; G704-C741 WeakPolarHBondContact O-CB 3.23Å; G704-C741 PolarHBondContact O-N 2.89Å
705Q88.2Confident90Very high55 Ų5512.8 Ų12.826%0.2577%0.066SC..  trans-70.5135.1175.1-69.2-177.1-3.200111I700 L701 S703 P732 L737I700-Q705 WeakPolarHBondContact CA-O 3.49Å; L701-Q705 HydrophobicContact CB-CB 4.42Å; L701-Q705 HydrophobicContact CD1-CB 4.32Å; L701-Q705 PolarHBondContact N-O 2.85Å; S703-Q705 VanDerWaalsContact C-N 3.31Å; S703-Q705 WeakPolarHBondContact OG-CG 3.35Å; Q705-P732 HydrophobicContact CB-CB 4.47Å; Q705-L737 HydrophobicContact CG-CD2 4.12Å
706V92.2Very high90Very high2 Ų211.9 Ų11.91%0.0126%0.062CC..EExtended strand (participates in β ladder)trans-98.6131.1176.2-179.70000109.6V699 I700 I708 P732 V733 C741 V744 V753V699-V706 WeakPolarHBondContact O-CA 3.44Å; I700-V706 HydrophobicContact CG1-CG2 4.17Å; V706-I708 HydrophobicContact CG1-CD1 3.45Å; V706-I708 VanDerWaalsContact CG1-CD1 3.45Å; V706-I708 HydrophobicContact CG1-CG1 4.05Å; V706-P732 CarbonylContact O-C 3.54Å; V706-P732 WeakPolarHBondContact O-CA 3.13Å; V706-V733 HydrophobicContact CG1-CG2 4.33Å; V706-V733 PolarHBondContact O-N 2.84Å; V706-C741 HydrophobicContact CG2-CB 3.47Å; V706-C741 VanDerWaalsContact CG2-CB 3.47Å; V706-C741 WeakPolarHBondContact CG2-SG 3.46Å; V706-V744 HydrophobicContact CG1-CB 4.47Å; V706-V744 HydrophobicContact CG1-CG2 3.96Å; V706-V753 HydrophobicContact CG1-CG2 4.15Å; V706-V753 HydrophobicContact CG2-CG1 4.13Å; V706-V753 HydrophobicContact CG2-CG2 4.12Å
707M92.3Very high89.8Confident2 Ų212 Ų121%0.016%0.063CC..EExtended strand (participates in β ladder)trans-121.3127.7171.7-54.5177.98400109.1F683 G698 V699 L701 V730F683-M707 HydrophobicContact CD1-SD 3.89Å; G698-M707 CarbonylContact C-O 3.56Å; G698-M707 WeakPolarHBondContact CA-O 3.34Å; V699-M707 HydrophobicContact CG2-CB 3.73Å; V699-M707 HydrophobicContact CG2-CG 4.36Å; V699-M707 HydrophobicContact CG2-SD 4.45Å; V699-M707 PolarHBondContact N-O 3.27Å; V699-M707 PolarHBondContact O-N 2.94Å; L701-M707 HydrophobicContact CD1-CG 4.27Å; L701-M707 HydrophobicContact CD1-SD 3.67Å; L701-M707 HydrophobicContact CD2-SD 4.06Å; L701-M707 HydrophobicContact CG-CG 4.39Å; L701-M707 HydrophobicContact CG-SD 4.03Å; M707-V730 HydrophobicContact CB-CG1 3.77Å; M707-V730 HydrophobicContact CE-CB 3.69Å; M707-V730 HydrophobicContact CE-CG1 3.85Å; M707-V730 WeakPolarHBondContact CE-O 3.35Å
708I93.5Very high89.4Confident4 Ų412.2 Ų12.22%0.0217%0.065CC..EExtended strand (participates in β ladder)trans-116.8140.7178.7-46-62.5000109.4S697 V706 L717 V733 V744 T751 W763S697-I708 WeakPolarHBondContact O-CA 3.38Å; S697-I708 WeakPolarHBondContact O-CG2 3.43Å; V706-I708 HydrophobicContact CG1-CD1 3.45Å; V706-I708 VanDerWaalsContact CG1-CD1 3.45Å; V706-I708 HydrophobicContact CG1-CG1 4.05Å; I708-L717 HydrophobicContact CB-CD2 4.09Å; I708-L717 HydrophobicContact CG2-CD2 3.55Å; I708-V733 HydrophobicContact CG1-CG2 3.9Å; I708-V744 HydrophobicContact CD1-CG2 3.65Å; I708-T751 HydrophobicContact CD1-CG2 3.94Å; I708-T751 HydrophobicContact CG1-CG2 4.48Å; I708-W763 HydrophobicContact CD1-CZ2 4.45Å; I708-W763 HydrophobicContact CG1-CZ2 4.07Å
709F91.5Very high88.8Confident1 Ų115.5 Ų15.50%0.0048%0.083CC..EExtended strand (participates in β ladder)trans-145.1151178.546.8-92.1000111.3M635 K653 N655 F683 H696 S697 V699 V730M635-F709 HydrophobicContact CE-CZ 4.43Å; K653-F709 WeakPolarHBondContact O-CD2 3.19Å; K653-F709 WeakPolarHBondContact O-CE2 3.45Å; N655-F709 HydrophobicContact CB-CD1 4.26Å; N655-F709 HydrophobicContact CB-CD2 3.55Å; N655-F709 HydrophobicContact CB-CE1 4.31Å; N655-F709 HydrophobicContact CB-CE2 3.58Å; N655-F709 HydrophobicContact CB-CG 3.88Å; N655-F709 HydrophobicContact CB-CZ 3.99Å; F683-F709 AromaticContact CE1-CE1 3.87Å; F683-F709 HydrophobicContact CE1-CE1 3.87Å; F683-F709 AromaticContact CZ-CE1 3.91Å; F683-F709 HydrophobicContact CZ-CE1 3.91Å; F683-F709 HydrophobicContact CZ-CZ 4.15Å; H696-F709 CarbonylContact C-O 3.53Å; H696-F709 VanDerWaalsContact CA-O 3.31Å; H696-F709 WeakPolarHBondContact CA-O 3.49Å; H696-F709 WeakPolarHBondContact CB-O 3.37Å; S697-F709 PolarHBondContact N-O 2.68Å; S697-F709 PolarHBondContact O-N 3.17Å; V699-F709 HydrophobicContact CG1-CE1 3.84Å; V699-F709 HydrophobicContact CG1-CZ 4.01Å; V699-F709 HydrophobicContact CG2-CE1 4.23Å; F709-V730 HydrophobicContact CB-CG1 4.26Å; F709-V730 HydrophobicContact CB-CG2 4.06Å; F709-V730 HydrophobicContact CD1-CG1 3.99Å; F709-V730 HydrophobicContact CD1-CG2 4.18Å; F709-V730 HydrophobicContact CG-CG2 4.4Å
710G91Very high88.1Confident11 Ų1117 Ų1711%0.11310%0.098CC..EExtended strand (participates in β ladder)trans129.1-145.3-178.200000112.3H651H651-G710 CarbonylContact O-C 3.54Å; H651-G710 VanDerWaalsContact O-C 3.28Å; H651-G710 WeakPolarHBondContact O-CA 3.48Å
711R90.1Very high87.5Confident57 Ų5719.7 Ų19.722%0.21511%0.113CC..  trans-62.1143.5174.2-168.7175.3-172.1-176.71111.2H651 Y695 D713H651-R711 HydrophobicContact CB-CB 3.96Å; Y695-R711 WeakPolarHBondContact O-CB 3.31Å; Y695-R711 PolarHBondContact O-N 2.91Å; R711-D713 HydrophobicContact CG-CB 4.35Å; R711-D713 IonicContact CZ-OD2 2.68Å; R711-D713 VanDerWaalsContact CZ-OD2 3.29Å; R711-D713 IonicContact NE-OD2 2.82Å; R711-D713 PolarHBondContact NE-OD2 2.81Å; R711-D713 IonicContact NH2-OD2 2.81Å; R711-D713 PolarHBondContact NH2-OD2 2.92Å
712N90.6Very high87.1Confident1 Ų123 Ų231%0.00514%0.136CC..  trans-134.415.1178-161.835.2000113.1N714 T715 E716 L717 N721 S722 Q723N712-N714 PolarHBondContact O-N 2.69Å; N712-T715 PolarHBondContact O-N 2.94Å; N712-T715 WeakPolarHBondContact OD1-CA 3.32Å; N712-E716 WeakPolarHBondContact CA-OE2 3.14Å; N712-E716 PolarHBondContact OD1-N 2.91Å; N712-L717 HydrophobicContact CB-CB 4.47Å; N712-L717 HydrophobicContact CB-CD1 3.55Å; N712-L717 HydrophobicContact CB-CG 3.63Å; N712-L717 VanDerWaalsContact CG-CG 3.49Å; N712-L717 VanDerWaalsContact OD1-CB 3.31Å; N712-L717 WeakPolarHBondContact OD1-CB 3.42Å; N712-L717 VanDerWaalsContact OD1-CG 3.29Å; N712-L717 WeakPolarHBondContact OD1-CG 3.43Å; N712-L717 PolarHBondContact OD1-N 3.45Å; N712-N721 PolarHBondContact ND2-O 3.02Å; N712-S722 WeakPolarHBondContact O-CA 3.35Å; N712-S722 WeakPolarHBondContact O-CB 3.17Å; N712-Q723 PolarHBondContact ND2-O 3.07Å
713D87Confident86.8Confident66 Ų6629.2 Ų29.235%0.35317%0.165SC..THydrogen-bonded Turntrans-65.1-26.7-174.9-60-22.8000111.3R711 E716R711-D713 HydrophobicContact CG-CB 4.35Å; R711-D713 IonicContact CZ-OD2 2.68Å; R711-D713 VanDerWaalsContact CZ-OD2 3.29Å; R711-D713 IonicContact NE-OD2 2.82Å; R711-D713 PolarHBondContact NE-OD2 2.81Å; R711-D713 IonicContact NH2-OD2 2.81Å; R711-D713 PolarHBondContact NH2-OD2 2.92Å; D713-E716 PolarHBondContact N-OE2 2.77Å
714N88.4Confident86.3Confident16 Ų1637 Ų379%0.08620%0.198CC..THydrogen-bonded Turntrans-103.618175.1-53.2-68.3000112.4N712 E716 G764 R765N712-N714 PolarHBondContact O-N 2.69Å; N714-E716 VanDerWaalsContact C-N 3.27Å; N714-E716 VanDerWaalsContact C-OE2 3.31Å; N714-E716 WeakPolarHBondContact CA-OE2 3.46Å; N714-E716 VanDerWaalsContact CB-CD 3.43Å; N714-E716 HydrophobicContact CB-CG 4.09Å; N714-E716 WeakPolarHBondContact CB-OE1 3.37Å; N714-E716 PolarHBondContact N-OE2 2.86Å; N714-E716 PolarHBondContact ND2-OE1 3.04Å; N714-E716 PolarHBondContact O-N 3.46Å; N714-G764 VanDerWaalsContact O-CA 3.27Å; N714-G764 WeakPolarHBondContact O-CA 3.18Å; N714-R765 HydrophobicContact CB-CB 3.79Å; N714-R765 WeakPolarHBondContact OD1-CD 3.48Å
715T89.7Confident85.4Confident6 Ų639.4 Ų39.44%0.03721%0.207CC..SBendtrans64.823-176.668.90000115.2N712 L717 G718 W763 V800 V801 T802N712-T715 PolarHBondContact O-N 2.94Å; N712-T715 WeakPolarHBondContact OD1-CA 3.32Å; T715-L717 PolarHBondContact O-N 2.77Å; T715-G718 PolarHBondContact O-N 2.88Å; T715-W763 VanDerWaalsContact O-CD1 3.27Å; T715-V800 HydrophobicContact CG2-CG1 4.08Å; T715-V800 WeakPolarHBondContact OG1-CG1 3.24Å; T715-V801 PolarHBondContact OG1-O 3.47Å; T715-T802 HydrophobicContact CG2-CG2 4.01Å; T715-T802 WeakPolarHBondContact OG1-CA 3.45Å
716E91.8Very high83.6Confident0 Ų039.9 Ų39.90%022%0.22CC..THydrogen-bonded Turntrans-59.4-16.8-177.5-53.696.4142.900113.7N712 D713 N714 G718 G749 T751 W763N712-E716 WeakPolarHBondContact CA-OE2 3.14Å; N712-E716 PolarHBondContact OD1-N 2.91Å; D713-E716 PolarHBondContact N-OE2 2.77Å; N714-E716 VanDerWaalsContact C-N 3.27Å; N714-E716 VanDerWaalsContact C-OE2 3.31Å; N714-E716 WeakPolarHBondContact CA-OE2 3.46Å; N714-E716 VanDerWaalsContact CB-CD 3.43Å; N714-E716 HydrophobicContact CB-CG 4.09Å; N714-E716 WeakPolarHBondContact CB-OE1 3.37Å; N714-E716 PolarHBondContact N-OE2 2.86Å; N714-E716 PolarHBondContact ND2-OE1 3.04Å; N714-E716 PolarHBondContact O-N 3.46Å; E716-G718 VanDerWaalsContact C-N 3.31Å; E716-G718 PolarHBondContact O-N 3.16Å; E716-G749 WeakPolarHBondContact CG-O 3.35Å; E716-T751 PolarHBondContact O-OG1 3.39Å; E716-W763 VanDerWaalsContact C-NE1 3.34Å; E716-W763 PolarHBondContact O-NE1 3.33Å
717L91.1Very high81.7Confident3 Ų341.1 Ų41.12%0.01623%0.228CC..THydrogen-bonded Turntrans-83.3-6.3178.6-53.6-173.8000113.6I708 N712 T715 L719 M725I708-L717 HydrophobicContact CB-CD2 4.09Å; I708-L717 HydrophobicContact CG2-CD2 3.55Å; N712-L717 HydrophobicContact CB-CB 4.47Å; N712-L717 HydrophobicContact CB-CD1 3.55Å; N712-L717 HydrophobicContact CB-CG 3.63Å; N712-L717 VanDerWaalsContact CG-CG 3.49Å; N712-L717 VanDerWaalsContact OD1-CB 3.31Å; N712-L717 WeakPolarHBondContact OD1-CB 3.42Å; N712-L717 VanDerWaalsContact OD1-CG 3.29Å; N712-L717 WeakPolarHBondContact OD1-CG 3.43Å; N712-L717 PolarHBondContact OD1-N 3.45Å; T715-L717 PolarHBondContact O-N 2.77Å; L717-L719 VanDerWaalsContact C-N 3.27Å; L717-L719 HydrophobicContact CB-CD1 3.96Å; L717-L719 HydrophobicContact CB-CG 3.85Å; L717-L719 HydrophobicContact CD1-CD1 4.14Å; L717-L719 PolarHBondContact O-N 3.22Å; L717-M725 HydrophobicContact CD1-CB 4.1Å; L717-M725 HydrophobicContact CD1-CG 3.5Å; L717-M725 HydrophobicContact CD1-SD 3.6Å
718G86.2Confident79.8Confident4 Ų448.8 Ų48.84%0.04126%0.257CS..  trans68.425.5178.300000113.6T715 E716 W763T715-G718 PolarHBondContact O-N 2.88Å; E716-G718 VanDerWaalsContact C-N 3.31Å; E716-G718 PolarHBondContact O-N 3.16Å; G718-W763 VanDerWaalsContact N-NE1 3.18Å
719L83.5Confident78.2Confident70 Ų7053 Ų5337%0.36629%0.285SS..SBendtrans-87.2-2.4-177-61.3177.1000113.6L717 N721 M725L717-L719 VanDerWaalsContact C-N 3.27Å; L717-L719 HydrophobicContact CB-CD1 3.96Å; L717-L719 HydrophobicContact CB-CG 3.85Å; L717-L719 HydrophobicContact CD1-CD1 4.14Å; L717-L719 PolarHBondContact O-N 3.22Å; L719-N721 PolarHBondContact O-N 3.07Å; L719-N721 PolarHBondContact O-ND2 3.45Å; L719-N721 VanDerWaalsContact O-ND2 3.15Å; L719-M725 HydrophobicContact CD1-CG 4.16Å
720G80.4Confident77.4Confident32 Ų3253.1 Ų53.133%0.3329%0.286SS..SBendtrans77.74.4-17400000114.3T802 L803G720-T802 VanDerWaalsContact CA-O 3.22Å; G720-T802 WeakPolarHBondContact CA-O 3.37Å; G720-T802 PolarHBondContact N-O 2.66Å; G720-T802 VanDerWaalsContact N-O 3.07Å; G720-L803 VanDerWaalsContact CA-CD2 3.48Å
721N80.9Confident76.9Confident59 Ų5959.3 Ų59.332%0.31631%0.31SS..SBendtrans-153.6163.1179.961.774.6000110.6N712 L719 Q723N712-N721 PolarHBondContact ND2-O 3.02Å; L719-N721 PolarHBondContact O-N 3.07Å; L719-N721 PolarHBondContact O-ND2 3.45Å; L719-N721 VanDerWaalsContact O-ND2 3.15Å; N721-Q723 VanDerWaalsContact C-N 3.35Å; N721-Q723 HydrophobicContact CB-CG 4.49Å; N721-Q723 WeakPolarHBondContact OD1-CB 3.28Å; N721-Q723 WeakPolarHBondContact OD1-CG 3.41Å; N721-Q723 PolarHBondContact OD1-N 2.81Å; N721-Q723 VanDerWaalsContact OD1-N 3.07Å
722S81.4Confident76.8Confident69 Ų6958.4 Ų58.448%0.48331%0.311SS..  trans-93.819178.756.60000113.5N712 K724N712-S722 WeakPolarHBondContact O-CA 3.35Å; N712-S722 WeakPolarHBondContact O-CB 3.17Å; S722-K724 PolarHBondContact O-N 3.33Å
723Q73.4Confident76.7Confident141 Ų14158.5 Ų58.566%0.65931%0.312SS*.  trans-64130.1179.1-65.4-1772.100109.5N712 N721 M725N712-Q723 PolarHBondContact ND2-O 3.07Å; N721-Q723 VanDerWaalsContact C-N 3.35Å; N721-Q723 HydrophobicContact CB-CG 4.49Å; N721-Q723 WeakPolarHBondContact OD1-CB 3.28Å; N721-Q723 WeakPolarHBondContact OD1-CG 3.41Å; N721-Q723 PolarHBondContact OD1-N 2.81Å; N721-Q723 VanDerWaalsContact OD1-N 3.07Å; Q723-M725 PolarHBondContact O-N 2.7Å
724K68.1Low76.6Confident170 Ų17063.1 Ų63.174%0.73933%0.329SS*.  trans-56126.4169.3-66.1-173.9178.1-175.70107.7S722 A726S722-K724 PolarHBondContact O-N 3.33Å; K724-A726 PolarHBondContact O-N 2.77Å
725M61.4Low76.3Confident59 Ų5964.9 Ų64.929%0.29134%0.343SS..  trans-55.9112.6174.6-103.4-172.469.300108.1L717 L719 Q723 V730L717-M725 HydrophobicContact CD1-CB 4.1Å; L717-M725 HydrophobicContact CD1-CG 3.5Å; L717-M725 HydrophobicContact CD1-SD 3.6Å; L719-M725 HydrophobicContact CD1-CG 4.16Å; Q723-M725 PolarHBondContact O-N 2.7Å; M725-V730 HydrophobicContact CE-CB 4.41Å; M725-V730 HydrophobicContact CE-CG2 4.22Å
726A51Low76.2Confident64 Ų6464.8 Ų64.853%0.52934%0.342SS..  trans-54.3145.8162.600000107K724 R728K724-A726 PolarHBondContact O-N 2.77Å; A726-R728 HydrophobicContact CB-CG 4.43Å; A726-R728 PolarHBondContact O-N 3.48Å
727V52.9Low75.7Confident28 Ų2868.4 Ų68.417%0.1736%0.361CS..SBendtrans-62.226.7-174.7-175.20000113.9T657 R659 E666T657-V727 HydrophobicContact CG2-CG1 3.86Å; T657-V727 HydrophobicContact CG2-CG2 4.44Å; R659-V727 HydrophobicContact CB-CB 4.46Å; R659-V727 HydrophobicContact CB-CG1 4.06Å; R659-V727 WeakPolarHBondContact CB-O 3.4Å; R659-V727 PolarHBondContact N-O 3.3Å; E666-V727 HydrophobicContact CG-CB 4.2Å; E666-V727 HydrophobicContact CG-CG1 4.1Å; E666-V727 HydrophobicContact CG-CG2 4.27Å; E666-V727 WeakPolarHBondContact OE1-CG2 3.36Å
728R52.2Low75Confident163 Ų16376.3 Ų76.362%0.61540%0.397SS*.SBendtrans-88.4151.6174.4-63.3-176.5173.8-172-2.7109.2A726 V730A726-R728 HydrophobicContact CB-CG 4.43Å; A726-R728 PolarHBondContact O-N 3.48Å; R728-V730 PolarHBondContact O-N 2.83Å
729C59.3Low74.6Confident92 Ų9277.9 Ų77.962%0.62240%0.404SS*.  trans-33.7128.5179.4-177.30000113.2K731C729-K731 PolarHBondContact O-N 2.67Å
730V76Confident74.3Confident4 Ų475 Ų752%0.02439%0.39CS..  trans-55.4137173.9-1710000108.6N655 M707 F709 M725 R728N655-V730 WeakPolarHBondContact ND2-CG2 3.29Å; N655-V730 WeakPolarHBondContact OD1-CG2 3.24Å; M707-V730 HydrophobicContact CB-CG1 3.77Å; M707-V730 HydrophobicContact CE-CB 3.69Å; M707-V730 HydrophobicContact CE-CG1 3.85Å; M707-V730 WeakPolarHBondContact CE-O 3.35Å; F709-V730 HydrophobicContact CB-CG1 4.26Å; F709-V730 HydrophobicContact CB-CG2 4.06Å; F709-V730 HydrophobicContact CD1-CG1 3.99Å; F709-V730 HydrophobicContact CD1-CG2 4.18Å; F709-V730 HydrophobicContact CG-CG2 4.4Å; M725-V730 HydrophobicContact CE-CB 4.41Å; M725-V730 HydrophobicContact CE-CG2 4.22Å; R728-V730 PolarHBondContact O-N 2.83Å
731K80.3Confident74.7Confident142 Ų14274 Ų7462%0.61738%0.378SS*.  trans-112.6148.7-178.8-65.6-173.9179.8-178.80110.5C729C729-K731 PolarHBondContact O-N 2.67Å
732P86.4Confident74.9Confident37 Ų3773.4 Ų73.424%0.2438%0.376CS..BIsolated β-bridgetrans-59145.5168.9-23.734.1000111.8Q705 V706 K734 L737Q705-P732 HydrophobicContact CB-CB 4.47Å; V706-P732 CarbonylContact O-C 3.54Å; V706-P732 WeakPolarHBondContact O-CA 3.13Å; P732-K734 PolarHBondContact O-N 3.14Å; P732-K734 VanDerWaalsContact O-N 3.1Å; P732-L737 HydrophobicContact CB-CD2 3.78Å
733V88.3Confident75.4Confident4 Ų472.9 Ų72.92%0.02437%0.366CS..  trans-68.2105.9172.7-178.70000108.7V706 I708 S735 L736 P804V706-V733 HydrophobicContact CG1-CG2 4.33Å; V706-V733 PolarHBondContact O-N 2.84Å; I708-V733 HydrophobicContact CG1-CG2 3.9Å; V733-S735 VanDerWaalsContact C-N 3.32Å; V733-S735 PolarHBondContact O-N 3.21Å; V733-L736 HydrophobicContact CB-CD1 4.35Å; V733-L736 HydrophobicContact CG1-CD1 4.06Å; V733-L736 HydrophobicContact CG1-CG 4.19Å; V733-L736 PolarHBondContact O-N 2.72Å; V733-P804 HydrophobicContact CG1-CG 3.55Å
734K85.8Confident76.4Confident162 Ų16266.2 Ų66.270%0.70434%0.335SS*.G310 helixtrans-58.5-37.7-166.4-70.1-176.2-179.9179.30114.3P732 L736 L737P732-K734 PolarHBondContact O-N 3.14Å; P732-K734 VanDerWaalsContact O-N 3.1Å; K734-L736 PolarHBondContact O-N 3.1Å; K734-L737 HydrophobicContact CB-CD1 4.42Å; K734-L737 WeakPolarHBondContact O-CB 3.35Å; K734-L737 WeakPolarHBondContact O-CG 3.4Å; K734-L737 PolarHBondContact O-N 3.32Å
735S82.5Confident77.8Confident54 Ų5458.7 Ų58.738%0.37830%0.303SS..G310 helixtrans-69.9-16.7-178.5520000113.4V733 P804V733-S735 VanDerWaalsContact C-N 3.32Å; V733-S735 PolarHBondContact O-N 3.21Å; S735-P804 VanDerWaalsContact OG-CD 3.29Å; S735-P804 WeakPolarHBondContact OG-CD 3.38Å; S735-P804 WeakPolarHBondContact OG-CG 3.49Å
736L86.6Confident79.4Confident3 Ų356.1 Ų56.12%0.01629%0.291CS..G310 helixtrans-101.82.8-179.4-62.4175.7000113.3V733 K734 H738 H739 V753 Y761 W763 P804V733-L736 HydrophobicContact CB-CD1 4.35Å; V733-L736 HydrophobicContact CG1-CD1 4.06Å; V733-L736 HydrophobicContact CG1-CG 4.19Å; V733-L736 PolarHBondContact O-N 2.72Å; K734-L736 PolarHBondContact O-N 3.1Å; L736-H738 PolarHBondContact O-N 3.16Å; L736-H739 PolarHBondContact O-N 2.78Å; L736-H739 VanDerWaalsContact O-N 3.07Å; L736-V753 HydrophobicContact CD1-CB 4.19Å; L736-V753 HydrophobicContact CD1-CG1 4.07Å; L736-V753 HydrophobicContact CD1-CG2 4.23Å; L736-Y761 HydrophobicContact CD2-CD1 4.11Å; L736-Y761 HydrophobicContact CD2-CD2 4.18Å; L736-Y761 HydrophobicContact CD2-CE1 4.4Å; L736-Y761 HydrophobicContact CD2-CE2 4.47Å; L736-Y761 HydrophobicContact CD2-CG 4.01Å; L736-W763 HydrophobicContact CD1-CH2 3.93Å; L736-W763 HydrophobicContact CD1-CZ3 4.05Å; L736-P804 HydrophobicContact CD1-CB 4.27Å; L736-P804 HydrophobicContact CD1-CG 4.19Å; L736-P804 HydrophobicContact CD2-CB 4.12Å; L736-P804 HydrophobicContact CG-CB 4.14Å; L736-P804 HydrophobicContact CG-CG 4.21Å
737L82.6Confident81.5Confident77 Ų7753.1 Ų53.140%0.40327%0.266SS..THydrogen-bonded Turntrans-59.9-22-176.2-75.2173.6000114.2Q705 P732 K734Q705-L737 HydrophobicContact CG-CD2 4.12Å; P732-L737 HydrophobicContact CB-CD2 3.78Å; K734-L737 HydrophobicContact CB-CD1 4.42Å; K734-L737 WeakPolarHBondContact O-CB 3.35Å; K734-L737 WeakPolarHBondContact O-CG 3.4Å; K734-L737 PolarHBondContact O-N 3.32Å
738H76Confident83.4Confident168 Ų16852 Ų5278%0.77826%0.259SS*.THydrogen-bonded Turntrans-95.4-7.4-179-58.4-60.4000113.7L736L736-H738 PolarHBondContact O-N 3.16Å
739H77.8Confident85.3Confident38 Ų3844.2 Ų44.218%0.17623%0.23CC..SBendtrans-103.5146.5-179-63.5-75.1000111.4L736 C741 T755 E757 E759 Y761L736-H739 PolarHBondContact O-N 2.78Å; L736-H739 VanDerWaalsContact O-N 3.07Å; H739-C741 PolarHBondContact O-N 2.98Å; H739-T755 HydrophobicContact CB-CG2 3.76Å; H739-E757 IonicContact CE1-OE1 3.26Å; H739-E757 IonicContact ND1-OE1 3.05Å; H739-E757 PolarHBondContact ND1-OE1 2.84Å; H739-E757 IonicContact ND1-OE2 3.59Å; H739-E759 IonicContact CE1-OE2 3.29Å; H739-E759 IonicContact ND1-OE2 2.95Å; H739-Y761 PolarHBondContact CE1-OH 2.93Å; H739-Y761 PolarHBondContact NE2-OH 3.3Å
740A77.3Confident87Confident10 Ų1039.9 Ų39.98%0.08320%0.2CC..  trans-82.9103.8162.800000108.8R404 T755 T756R404-A740 VanDerWaalsContact CZ-CB 3.43Å; R404-A740 VanDerWaalsContact NH1-N 3.11Å; A740-T755 CarbonylContact O-C 3.54Å; A740-T755 WeakPolarHBondContact O-CA 3.35Å; A740-T755 WeakPolarHBondContact O-CB 3.43Å; A740-T756 HydrophobicContact CB-CG2 3.63Å; A740-T756 WeakPolarHBondContact CB-OG1 3.14Å; A740-T756 PolarHBondContact O-N 2.93Å
741C88.1Confident88Confident10 Ų1039.7 Ų39.77%0.06820%0.199CC..EExtended strand (participates in β ladder)trans-75134.3174.3-56.30000109.7I700 G704 V706 H739 V753 S754I700-C741 HydrophobicContact CD1-CB 4.39Å; G704-C741 WeakPolarHBondContact O-CB 3.23Å; G704-C741 PolarHBondContact O-N 2.89Å; V706-C741 HydrophobicContact CG2-CB 3.47Å; V706-C741 VanDerWaalsContact CG2-CB 3.47Å; V706-C741 WeakPolarHBondContact CG2-SG 3.46Å; H739-C741 PolarHBondContact O-N 2.98Å; C741-V753 HydrophobicContact CB-CG1 3.67Å; C741-V753 WeakPolarHBondContact SG-CG1 3.25Å; C741-S754 CarbonylContact C-O 3.53Å; C741-S754 VanDerWaalsContact CA-O 3.27Å; C741-S754 WeakPolarHBondContact CA-O 3.41Å
742T85.1Confident88.8Confident47 Ų4733 Ų3329%0.28817%0.17SC..EExtended strand (participates in β ladder)trans-105.4-32.7-179.560.20000112.6S754 T756T742-S754 PolarHBondContact N-O 2.85Å; T742-S754 PolarHBondContact OG1-O 2.84Å; T742-S754 PolarHBondContact OG1-OG 2.98Å; T742-T756 HydrophobicContact CG2-CG2 3.46Å; T742-T756 VanDerWaalsContact CG2-CG2 3.46Å
743H91.2Very high89.2Confident58 Ų5831.2 Ų31.227%0.26916%0.159SC..EExtended strand (participates in β ladder)trans-139.3146.1176.5-56.376.4000110.3I700 V753 S754 L824I700-H743 VanDerWaalsContact CD1-C 3.43Å; H743-V753 VanDerWaalsContact O-CA 3.3Å; H743-V753 WeakPolarHBondContact O-CA 3.34Å; H743-S754 WeakPolarHBondContact CB-OG 3.5Å; H743-S754 PolarHBondContact N-OG 2.86Å; H743-S754 PolarHBondContact ND1-OG 2.93Å; H743-S754 PolarHBondContact O-N 2.91Å; H743-S754 VanDerWaalsContact O-N 3.08Å; H743-L824 HydrophobicContact CB-CD1 4.22Å
744V95.3Very high89.3Confident0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-125.5132.6169.162.20000107.6S691 I700 V706 I708 T751 L752 V753S691-V744 WeakPolarHBondContact CB-O 3.31Å; I700-V744 HydrophobicContact CD1-CB 4.04Å; I700-V744 HydrophobicContact CD1-CG1 4Å; I700-V744 HydrophobicContact CG1-CB 3.98Å; I700-V744 HydrophobicContact CG1-CG1 3.72Å; V706-V744 HydrophobicContact CG1-CB 4.47Å; V706-V744 HydrophobicContact CG1-CG2 3.96Å; I708-V744 HydrophobicContact CD1-CG2 3.65Å; V744-T751 HydrophobicContact CG2-CG2 4.2Å; V744-L752 WeakPolarHBondContact CA-O 3.16Å; V744-V753 HydrophobicContact CB-CG2 4.15Å; V744-V753 HydrophobicContact CG2-CG2 3.9Å
745L96.6Very high89.4Confident13 Ų1323.4 Ų23.47%0.06812%0.124CC..EExtended strand (participates in β ladder)trans-132.5127.6179.2-67.2-173.2000110.2T751 L752 L824 V826L745-T751 WeakPolarHBondContact O-CA 3.11Å; L745-L752 HydrophobicContact CB-CB 4.22Å; L745-L752 PolarHBondContact N-O 2.56Å; L745-L752 PolarHBondContact O-N 2.82Å; L745-L824 HydrophobicContact CD1-CB 3.36Å; L745-L824 HydrophobicContact CD1-CD1 4.43Å; L745-L824 HydrophobicContact CD1-CG 4.49Å; L745-L824 HydrophobicContact CG-CB 4.32Å; L745-V826 HydrophobicContact CB-CB 4.31Å; L745-V826 HydrophobicContact CB-CG1 3.73Å; L745-V826 HydrophobicContact CD1-CB 4.14Å; L745-V826 HydrophobicContact CD1-CG1 4.15Å; L745-V826 HydrophobicContact CD2-CG1 4.11Å; L745-V826 HydrophobicContact CG-CG1 4.23Å
746C96.4Very high89.3Confident5 Ų522.1 Ų22.13%0.03411%0.114CC..EExtended strand (participates in β ladder)trans-106.2103.7-178.4-620000109.8S691 H696 S697 G698S691-C746 PolarHBondContact OG-N 2.97Å; H696-C746 PolarHBondContact CD2-SG 3.22Å; H696-C746 VanDerWaalsContact NE2-CB 3.33Å; H696-C746 WeakPolarHBondContact NE2-CB 3.46Å; H696-C746 WeakPolarHBondContact O-CB 3.14Å; S697-C746 VanDerWaalsContact C-SG 3.56Å; G698-C746 PolarHBondContact N-SG 3.36Å
747G94.7Very high89Confident1 Ų125.8 Ų25.81%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-89177.7175.100000112.8H696 G749 F750 G828H696-G747 PolarHBondContact CE1-O 2.77Å; G747-G749 PolarHBondContact O-N 2.66Å; G747-F750 PolarHBondContact N-O 2.7Å; G747-G828 CarbonylContact C-O 3.51Å; G747-G828 VanDerWaalsContact CA-O 3.31Å; G747-G828 WeakPolarHBondContact CA-O 3.49Å
748D93.5Very high89Confident3 Ų324.1 Ų24.12%0.01612%0.122CC..THydrogen-bonded Turntrans-72.492.8175.8-74.2-9.4000109.6K476 S694 Y695 G828 R829K476-D748 IonicContact NZ-OD2 3.23Å; K476-D748 PolarHBondContact NZ-OD2 2.85Å; S694-D748 WeakPolarHBondContact CB-OD1 3.44Å; S694-D748 PolarHBondContact OG-OD1 3.44Å; Y695-D748 HydrophobicContact CE2-CB 4.21Å; D748-G828 VanDerWaalsContact CG-CA 3.45Å; D748-G828 PolarHBondContact N-O 2.68Å; D748-G828 VanDerWaalsContact OD2-CA 3.24Å; D748-G828 WeakPolarHBondContact OD2-CA 3.36Å; D748-R829 HydrophobicContact CB-CG 3.89Å; D748-R829 PolarHBondContact O-NH1 2.81Å
749G92Very high89.6Confident1 Ų116.2 Ų16.21%0.019%0.085CC..THydrogen-bonded Turntrans92.29.717700000115.6E716 G747 G764 R765E716-G749 WeakPolarHBondContact CG-O 3.35Å; G747-G749 PolarHBondContact O-N 2.66Å; G749-G764 WeakPolarHBondContact O-CA 3.29Å; G749-R765 PolarHBondContact O-N 2.61Å
750F94.8Very high90.1Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-152.9164.3177.668.7-87.6000112.6V452 H696 G747 L752 F762 W763 V826 R829 V831V452-F750 HydrophobicContact CG1-CD1 4.18Å; V452-F750 HydrophobicContact CG1-CE1 4.2Å; V452-F750 HydrophobicContact CG2-CE1 4.14Å; V452-F750 HydrophobicContact CG2-CE2 4.38Å; V452-F750 HydrophobicContact CG2-CZ 3.87Å; H696-F750 PolarHBondContact CE1-O 2.81Å; H696-F750 PolarHBondContact NE2-O 3.46Å; G747-F750 PolarHBondContact N-O 2.7Å; F750-L752 HydrophobicContact CD2-CD1 4.47Å; F750-L752 HydrophobicContact CD2-CG 4.18Å; F750-L752 HydrophobicContact CE2-CD1 3.86Å; F750-L752 HydrophobicContact CE2-CG 4.05Å; F750-F762 HydrophobicContact CB-CD2 4.42Å; F750-F762 HydrophobicContact CB-CE2 3.53Å; F750-F762 HydrophobicContact CB-CZ 3.62Å; F750-F762 HydrophobicContact CD1-CE2 4.42Å; F750-F762 AromaticContact CD2-CD2 3.94Å; F750-F762 HydrophobicContact CD2-CD2 3.94Å; F750-F762 AromaticContact CD2-CE2 3.42Å; F750-F762 HydrophobicContact CD2-CE2 3.42Å; F750-F762 VanDerWaalsContact CD2-CE2 3.42Å; F750-F762 HydrophobicContact CD2-CZ 4.37Å; F750-F762 HydrophobicContact CE2-CE2 4.25Å; F750-F762 HydrophobicContact CG-CD2 4.43Å; F750-F762 AromaticContact CG-CE2 3.53Å; F750-F762 HydrophobicContact CG-CE2 3.53Å; F750-F762 HydrophobicContact CG-CZ 4.05Å; F750-W763 CarbonylContact C-O 3.57Å; F750-W763 VanDerWaalsContact CA-O 3.28Å; F750-W763 WeakPolarHBondContact CA-O 3.3Å; F750-W763 VanDerWaalsContact CB-O 3.29Å; F750-W763 WeakPolarHBondContact CB-O 3.45Å; F750-V826 HydrophobicContact CE2-CG2 4.45Å; F750-V826 HydrophobicContact CZ-CG2 4.07Å; F750-R829 HydrophobicContact CE1-CB 4.35Å; F750-R829 HydrophobicContact CE1-CG 4.28Å; F750-V831 HydrophobicContact CE2-CG2 3.87Å; F750-V831 HydrophobicContact CZ-CG2 3.65Å
751T96.5Very high90.9Very high0 Ų015.1 Ų15.10%08%0.077CC..EExtended strand (participates in β ladder)trans-129.3142.6175.8-49.20000110.2H696 I708 E716 V744 L745 F762 W763H696-T751 PolarHBondContact NE2-OG1 3.18Å; I708-T751 HydrophobicContact CD1-CG2 3.94Å; I708-T751 HydrophobicContact CG1-CG2 4.48Å; E716-T751 PolarHBondContact O-OG1 3.39Å; V744-T751 HydrophobicContact CG2-CG2 4.2Å; L745-T751 WeakPolarHBondContact O-CA 3.11Å; T751-F762 WeakPolarHBondContact O-CA 3.33Å; T751-W763 VanDerWaalsContact CB-CE2 3.44Å; T751-W763 VanDerWaalsContact CB-CZ2 3.49Å; T751-W763 HydrophobicContact CG2-CH2 3.63Å; T751-W763 HydrophobicContact CG2-CZ2 3.33Å; T751-W763 HydrophobicContact CG2-CZ3 4.35Å; T751-W763 PolarHBondContact N-O 3.23Å; T751-W763 PolarHBondContact O-N 3.28Å; T751-W763 VanDerWaalsContact O-N 3.1Å
752L96.5Very high91.2Very high1 Ų114.6 Ų14.61%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-119.2139.5173.5-74.4167.1000109.8L450 V744 L745 F750 L760 Y761 F762 I807 V831L450-L752 HydrophobicContact CD2-CD1 4.24Å; L450-L752 HydrophobicContact CD2-CD2 4.38Å; V744-L752 WeakPolarHBondContact CA-O 3.16Å; L745-L752 HydrophobicContact CB-CB 4.22Å; L745-L752 PolarHBondContact N-O 2.56Å; L745-L752 PolarHBondContact O-N 2.82Å; F750-L752 HydrophobicContact CD2-CD1 4.47Å; F750-L752 HydrophobicContact CD2-CG 4.18Å; F750-L752 HydrophobicContact CE2-CD1 3.86Å; F750-L752 HydrophobicContact CE2-CG 4.05Å; L752-L760 HydrophobicContact CB-CD1 4.37Å; L752-L760 HydrophobicContact CD2-CD1 4.19Å; L752-L760 HydrophobicContact CD2-CD2 4.26Å; L752-L760 HydrophobicContact CD2-CG 4.08Å; L752-Y761 CarbonylContact C-O 3.6Å; L752-Y761 VanDerWaalsContact CA-O 3.28Å; L752-Y761 WeakPolarHBondContact CA-O 3.37Å; L752-Y761 WeakPolarHBondContact CD2-O 3.45Å; L752-F762 HydrophobicContact CD2-CB 3.82Å; L752-F762 HydrophobicContact CD2-CD2 3.7Å; L752-F762 HydrophobicContact CD2-CG 4.26Å; L752-F762 HydrophobicContact CG-CD2 4.23Å; L752-I807 HydrophobicContact CD2-CD1 3.87Å; L752-V831 HydrophobicContact CD1-CB 4.44Å; L752-V831 HydrophobicContact CD1-CG1 3.63Å; L752-V831 HydrophobicContact CD1-CG2 3.94Å
753V95.2Very high91.6Very high0 Ų012.4 Ų12.40%06%0.06CC..EExtended strand (participates in β ladder)trans-136.2131.7172.51680000110V706 L736 C741 H743 V744 Y761 W763V706-V753 HydrophobicContact CG1-CG2 4.15Å; V706-V753 HydrophobicContact CG2-CG1 4.13Å; V706-V753 HydrophobicContact CG2-CG2 4.12Å; L736-V753 HydrophobicContact CD1-CB 4.19Å; L736-V753 HydrophobicContact CD1-CG1 4.07Å; L736-V753 HydrophobicContact CD1-CG2 4.23Å; C741-V753 HydrophobicContact CB-CG1 3.67Å; C741-V753 WeakPolarHBondContact SG-CG1 3.25Å; H743-V753 VanDerWaalsContact O-CA 3.3Å; H743-V753 WeakPolarHBondContact O-CA 3.34Å; V744-V753 HydrophobicContact CB-CG2 4.15Å; V744-V753 HydrophobicContact CG2-CG2 3.9Å; V753-Y761 PolarHBondContact N-O 3.35Å; V753-Y761 PolarHBondContact O-N 3.16Å; V753-W763 HydrophobicContact CB-CH2 4.18Å; V753-W763 HydrophobicContact CB-CZ3 4.05Å; V753-W763 HydrophobicContact CG2-CH2 3.47Å; V753-W763 VanDerWaalsContact CG2-CH2 3.47Å; V753-W763 HydrophobicContact CG2-CZ3 3.85Å
754S91.4Very high91.6Very high0 Ų09.6 Ų9.60%05%0.048CC..EExtended strand (participates in β ladder)trans-103.6154.6169.357.90000112.9C741 T742 H743 E759C741-S754 CarbonylContact C-O 3.53Å; C741-S754 VanDerWaalsContact CA-O 3.27Å; C741-S754 WeakPolarHBondContact CA-O 3.41Å; T742-S754 PolarHBondContact N-O 2.85Å; T742-S754 PolarHBondContact OG1-O 2.84Å; T742-S754 PolarHBondContact OG1-OG 2.98Å; H743-S754 WeakPolarHBondContact CB-OG 3.5Å; H743-S754 PolarHBondContact N-OG 2.86Å; H743-S754 PolarHBondContact ND1-OG 2.93Å; H743-S754 PolarHBondContact O-N 2.91Å; H743-S754 VanDerWaalsContact O-N 3.08Å; S754-E759 CarbonylContact C-O 3.59Å; S754-E759 WeakPolarHBondContact CA-O 3.18Å; S754-E759 WeakPolarHBondContact CB-O 3.28Å
755T88.2Confident91.4Very high2 Ų212.3 Ų12.31%0.0126%0.058CC..EExtended strand (participates in β ladder)trans-116.5166.8-179.776.70000112.1H739 A740 E757 Q758 E759 Y761H739-T755 HydrophobicContact CB-CG2 3.76Å; A740-T755 CarbonylContact O-C 3.54Å; A740-T755 WeakPolarHBondContact O-CA 3.35Å; A740-T755 WeakPolarHBondContact O-CB 3.43Å; T755-E757 PolarHBondContact O-N 2.91Å; T755-E757 PolarHBondContact OG1-N 3.43Å; T755-Q758 PolarHBondContact O-N 2.97Å; T755-E759 HydrophobicContact CG2-CB 4.38Å; T755-E759 PolarHBondContact N-O 3.45Å; T755-E759 WeakPolarHBondContact OG1-CB 3.35Å; T755-Y761 HydrophobicContact CG2-CD2 3.94Å; T755-Y761 HydrophobicContact CG2-CE2 3.64Å
756T80.6Confident91Very high27 Ų2712.9 Ų12.917%0.1666%0.06CC..THydrogen-bonded Turntrans-64.5-17.2171.4490000113.2A397 M401 A740 T742 Q758A397-T756 HydrophobicContact CB-CG2 4.03Å; M401-T756 HydrophobicContact CG-CG2 4.39Å; M401-T756 HydrophobicContact SD-CG2 4.31Å; M401-T756 PolarHBondContact SD-OG1 2.83Å; A740-T756 HydrophobicContact CB-CG2 3.63Å; A740-T756 WeakPolarHBondContact CB-OG1 3.14Å; A740-T756 PolarHBondContact O-N 2.93Å; T742-T756 HydrophobicContact CG2-CG2 3.46Å; T742-T756 VanDerWaalsContact CG2-CG2 3.46Å; T756-Q758 PolarHBondContact O-N 2.84Å
757E79.7Confident90.4Very high80 Ų8015.1 Ų15.137%0.3747%0.071SC..THydrogen-bonded Turntrans-81.711.3177.2-61167.8-132.500112.5H739 T755 E759H739-E757 IonicContact CE1-OE1 3.26Å; H739-E757 IonicContact ND1-OE1 3.05Å; H739-E757 PolarHBondContact ND1-OE1 2.84Å; H739-E757 IonicContact ND1-OE2 3.59Å; T755-E757 PolarHBondContact O-N 2.91Å; T755-E757 PolarHBondContact OG1-N 3.43Å; E757-E759 VanDerWaalsContact C-N 3.26Å; E757-E759 HydrophobicContact CB-CG 4.03Å; E757-E759 PolarHBondContact O-N 2.7Å
758Q83.2Confident89.4Confident43 Ų4316.5 Ų16.520%0.2018%0.078CC..SBendtrans60.635.1-177-46-60.8-19.300113.4T755 T756 L810T755-Q758 PolarHBondContact O-N 2.97Å; T756-Q758 PolarHBondContact O-N 2.84Å; Q758-L810 HydrophobicContact CB-CB 3.91Å; Q758-L810 HydrophobicContact CB-CD1 4.44Å; Q758-L810 HydrophobicContact CB-CG 4.41Å; Q758-L810 PolarHBondContact O-N 3.28Å
759E86.8Confident87.9Confident1 Ų119.6 Ų19.61%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-104.8148.8177.4-60.2-179149.500111.1H739 S754 T755 E757 Y761 L806 L808 R809H739-E759 IonicContact CE1-OE2 3.29Å; H739-E759 IonicContact ND1-OE2 2.95Å; S754-E759 CarbonylContact C-O 3.59Å; S754-E759 WeakPolarHBondContact CA-O 3.18Å; S754-E759 WeakPolarHBondContact CB-O 3.28Å; T755-E759 HydrophobicContact CG2-CB 4.38Å; T755-E759 PolarHBondContact N-O 3.45Å; T755-E759 WeakPolarHBondContact OG1-CB 3.35Å; E757-E759 VanDerWaalsContact C-N 3.26Å; E757-E759 HydrophobicContact CB-CG 4.03Å; E757-E759 PolarHBondContact O-N 2.7Å; E759-Y761 HydrophobicContact CB-CD2 4.33Å; E759-Y761 HydrophobicContact CB-CE2 3.7Å; E759-Y761 WeakPolarHBondContact OE2-CE2 3.45Å; E759-Y761 PolarHBondContact OE2-OH 2.89Å; E759-L806 HydrophobicContact CB-CD1 3.57Å; E759-L806 HydrophobicContact CG-CD1 3.94Å; E759-L808 CarbonylContact C-O 3.57Å; E759-L808 VanDerWaalsContact CA-O 3.31Å; E759-L808 WeakPolarHBondContact CA-O 3.42Å; E759-R809 HydrophobicContact CG-CG 4.11Å; E759-R809 IonicContact OE1-CZ 2.74Å; E759-R809 IonicContact OE1-NE 3.57Å; E759-R809 PolarHBondContact OE1-NE 3.21Å; E759-R809 IonicContact OE1-NH2 3.84Å; E759-R809 PolarHBondContact OE1-NH2 3.2Å
760L90.2Very high86Confident1 Ų125.3 Ų25.31%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-122.6123170.8-172.563.1000109.4L450 L752 I807 L808 L824 V833L450-L760 HydrophobicContact CD2-CD2 4.48Å; L752-L760 HydrophobicContact CB-CD1 4.37Å; L752-L760 HydrophobicContact CD2-CD1 4.19Å; L752-L760 HydrophobicContact CD2-CD2 4.26Å; L752-L760 HydrophobicContact CD2-CG 4.08Å; L760-I807 HydrophobicContact CB-CG1 4.17Å; L760-I807 HydrophobicContact CD2-CD1 3.78Å; L760-I807 HydrophobicContact CD2-CG1 4.19Å; L760-I807 HydrophobicContact CG-CD1 4Å; L760-I807 HydrophobicContact CG-CG1 4Å; L760-I807 WeakPolarHBondContact O-CG1 3.24Å; L760-I807 PolarHBondContact O-N 3.24Å; L760-L808 HydrophobicContact CB-CB 3.85Å; L760-L808 HydrophobicContact CD2-CB 4.48Å; L760-L808 HydrophobicContact CD2-CD2 4.48Å; L760-L808 PolarHBondContact N-O 3.22Å; L760-L808 PolarHBondContact O-N 2.88Å; L760-L824 HydrophobicContact CD1-CD1 3.62Å; L760-L824 HydrophobicContact CD1-CD2 4.13Å; L760-L824 HydrophobicContact CD2-CD2 4.33Å; L760-V833 HydrophobicContact CD2-CG2 4.45Å
761Y93Very high83.6Confident24 Ų2433.7 Ų33.79%0.09417%0.167CC..EExtended strand (participates in β ladder)trans-103.4142.1175.7-68.3-99.4000110.3L736 H739 L752 V753 T755 E759 P804 S805 L806L736-Y761 HydrophobicContact CD2-CD1 4.11Å; L736-Y761 HydrophobicContact CD2-CD2 4.18Å; L736-Y761 HydrophobicContact CD2-CE1 4.4Å; L736-Y761 HydrophobicContact CD2-CE2 4.47Å; L736-Y761 HydrophobicContact CD2-CG 4.01Å; H739-Y761 PolarHBondContact CE1-OH 2.93Å; H739-Y761 PolarHBondContact NE2-OH 3.3Å; L752-Y761 CarbonylContact C-O 3.6Å; L752-Y761 VanDerWaalsContact CA-O 3.28Å; L752-Y761 WeakPolarHBondContact CA-O 3.37Å; L752-Y761 WeakPolarHBondContact CD2-O 3.45Å; V753-Y761 PolarHBondContact N-O 3.35Å; V753-Y761 PolarHBondContact O-N 3.16Å; T755-Y761 HydrophobicContact CG2-CD2 3.94Å; T755-Y761 HydrophobicContact CG2-CE2 3.64Å; E759-Y761 HydrophobicContact CB-CD2 4.33Å; E759-Y761 HydrophobicContact CB-CE2 3.7Å; E759-Y761 WeakPolarHBondContact OE2-CE2 3.45Å; E759-Y761 PolarHBondContact OE2-OH 2.89Å; Y761-P804 HydrophobicContact CD1-CB 4.29Å; Y761-S805 CarbonylContact C-O 3.56Å; Y761-S805 VanDerWaalsContact CA-O 3.27Å; Y761-S805 WeakPolarHBondContact CA-O 3.19Å; Y761-L806 HydrophobicContact CD1-CB 4.25Å; Y761-L806 HydrophobicContact CD2-CD1 4.49Å; Y761-L806 HydrophobicContact CE1-CB 3.92Å; Y761-L806 HydrophobicContact CE1-CD1 4.44Å; Y761-L806 HydrophobicContact CE2-CD1 4.09Å
762F93.7Very high81.1Confident0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-128.1142.5176175.4-85.8000110.4V452 I455 F750 T751 L752 K766 V801 S805 I807V452-F762 HydrophobicContact CG1-CE2 3.74Å; V452-F762 HydrophobicContact CG1-CZ 3.93Å; I455-F762 HydrophobicContact CD1-CD1 4.21Å; I455-F762 HydrophobicContact CD1-CD2 4.1Å; I455-F762 HydrophobicContact CD1-CE1 4.31Å; I455-F762 HydrophobicContact CD1-CE2 4.17Å; I455-F762 HydrophobicContact CD1-CG 4.13Å; I455-F762 HydrophobicContact CD1-CZ 4.28Å; F750-F762 HydrophobicContact CB-CD2 4.42Å; F750-F762 HydrophobicContact CB-CE2 3.53Å; F750-F762 HydrophobicContact CB-CZ 3.62Å; F750-F762 HydrophobicContact CD1-CE2 4.42Å; F750-F762 AromaticContact CD2-CD2 3.94Å; F750-F762 HydrophobicContact CD2-CD2 3.94Å; F750-F762 AromaticContact CD2-CE2 3.42Å; F750-F762 HydrophobicContact CD2-CE2 3.42Å; F750-F762 VanDerWaalsContact CD2-CE2 3.42Å; F750-F762 HydrophobicContact CD2-CZ 4.37Å; F750-F762 HydrophobicContact CE2-CE2 4.25Å; F750-F762 HydrophobicContact CG-CD2 4.43Å; F750-F762 AromaticContact CG-CE2 3.53Å; F750-F762 HydrophobicContact CG-CE2 3.53Å; F750-F762 HydrophobicContact CG-CZ 4.05Å; T751-F762 WeakPolarHBondContact O-CA 3.33Å; L752-F762 HydrophobicContact CD2-CB 3.82Å; L752-F762 HydrophobicContact CD2-CD2 3.7Å; L752-F762 HydrophobicContact CD2-CG 4.26Å; L752-F762 HydrophobicContact CG-CD2 4.23Å; F762-K766 HydrophobicContact CE1-CG 3.8Å; F762-K766 HydrophobicContact CZ-CG 4.02Å; F762-V801 HydrophobicContact CD1-CB 4.25Å; F762-V801 HydrophobicContact CD1-CG2 4.18Å; F762-V801 HydrophobicContact CE1-CB 4.25Å; F762-V801 HydrophobicContact CE1-CG2 4.1Å; F762-S805 PolarHBondContact N-O 2.74Å; F762-S805 PolarHBondContact O-N 2.98Å; F762-I807 HydrophobicContact CB-CB 4.5Å; F762-I807 HydrophobicContact CB-CD1 3.79Å; F762-I807 HydrophobicContact CB-CG1 4.03Å; F762-I807 HydrophobicContact CB-CG2 3.67Å
763W93.6Very high78.7Confident0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-151.7160.1162.86493.4000110.2I708 T715 E716 G718 L736 F750 T751 V753 V801 P804I708-W763 HydrophobicContact CD1-CZ2 4.45Å; I708-W763 HydrophobicContact CG1-CZ2 4.07Å; T715-W763 VanDerWaalsContact O-CD1 3.27Å; E716-W763 VanDerWaalsContact C-NE1 3.34Å; E716-W763 PolarHBondContact O-NE1 3.33Å; G718-W763 VanDerWaalsContact N-NE1 3.18Å; L736-W763 HydrophobicContact CD1-CH2 3.93Å; L736-W763 HydrophobicContact CD1-CZ3 4.05Å; F750-W763 CarbonylContact C-O 3.57Å; F750-W763 VanDerWaalsContact CA-O 3.28Å; F750-W763 WeakPolarHBondContact CA-O 3.3Å; F750-W763 VanDerWaalsContact CB-O 3.29Å; F750-W763 WeakPolarHBondContact CB-O 3.45Å; T751-W763 VanDerWaalsContact CB-CE2 3.44Å; T751-W763 VanDerWaalsContact CB-CZ2 3.49Å; T751-W763 HydrophobicContact CG2-CH2 3.63Å; T751-W763 HydrophobicContact CG2-CZ2 3.33Å; T751-W763 HydrophobicContact CG2-CZ3 4.35Å; T751-W763 PolarHBondContact N-O 3.23Å; T751-W763 PolarHBondContact O-N 3.28Å; T751-W763 VanDerWaalsContact O-N 3.1Å; V753-W763 HydrophobicContact CB-CH2 4.18Å; V753-W763 HydrophobicContact CB-CZ3 4.05Å; V753-W763 HydrophobicContact CG2-CH2 3.47Å; V753-W763 VanDerWaalsContact CG2-CH2 3.47Å; V753-W763 HydrophobicContact CG2-CZ3 3.85Å; W763-V801 HydrophobicContact CB-CG1 4.11Å; W763-V801 WeakPolarHBondContact CB-O 3.24Å; W763-P804 HydrophobicContact CD2-CB 4.18Å; W763-P804 HydrophobicContact CD2-CG 3.75Å; W763-P804 HydrophobicContact CE3-CB 3.54Å; W763-P804 HydrophobicContact CE3-CG 3.55Å; W763-P804 HydrophobicContact CG-CG 4.36Å; W763-P804 HydrophobicContact CH2-CG 4.16Å; W763-P804 HydrophobicContact CZ2-CG 4.37Å; W763-P804 HydrophobicContact CZ3-CB 3.8Å; W763-P804 HydrophobicContact CZ3-CG 3.77Å
764G91.7Very high75.9Confident0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans114.4-166.4-171.900000113.6N714 G749 V801N714-G764 VanDerWaalsContact O-CA 3.27Å; N714-G764 WeakPolarHBondContact O-CA 3.18Å; G749-G764 WeakPolarHBondContact O-CA 3.29Å; G764-V801 PolarHBondContact N-O 3.12Å; G764-V801 PolarHBondContact O-N 2.79Å
765R91.7Very high73.2Confident56 Ų5648.6 Ų48.621%0.21125%0.253CS..EExtended strand (participates in β ladder)trans-88.5127.4-177.2-172.2171.1-166.2102.417.4112.7N714 G749 D767 D797 N799 V800 R829N714-R765 HydrophobicContact CB-CB 3.79Å; N714-R765 WeakPolarHBondContact OD1-CD 3.48Å; G749-R765 PolarHBondContact O-N 2.61Å; R765-D767 WeakPolarHBondContact CG-OD1 3.28Å; R765-D767 IonicContact CZ-OD1 3.11Å; R765-D767 IonicContact NE-OD1 2.81Å; R765-D767 PolarHBondContact NE-OD1 3.01Å; R765-D767 IonicContact NH2-OD1 3.58Å; R765-D767 PolarHBondContact NH2-OD1 3.02Å; R765-D767 IonicContact NH2-OD2 2.61Å; R765-D767 PolarHBondContact NH2-OD2 2.75Å; R765-D797 IonicContact CZ-OD2 3.51Å; R765-D797 IonicContact NH1-OD2 3.97Å; R765-D797 PolarHBondContact NH1-OD2 2.85Å; R765-D797 IonicContact NH2-OD2 3.33Å; R765-D797 PolarHBondContact NH2-OD2 2.94Å; R765-N799 CarbonylContact C-O 3.52Å; R765-N799 WeakPolarHBondContact CA-O 3.16Å; R765-V800 HydrophobicContact CB-CG2 4.23Å; R765-V800 HydrophobicContact CG-CG2 4.12Å; R765-R829 PolarHBondContact O-NH1 2.81Å; R765-R829 VanDerWaalsContact O-NH1 3.14Å; R765-R829 PolarHBondContact O-NH2 3.05Å
766K88.5Confident71Confident26 Ų2653.5 Ų53.511%0.11328%0.279CS..SBendtrans-81.8-32.9-178-67.9-176.8-179.81720114.1P453 I455 F762 N799 V801 R829 Y959P453-K766 WeakPolarHBondContact CA-O 3.44Å; P453-K766 WeakPolarHBondContact CG-O 2.99Å; I455-K766 HydrophobicContact CG1-CD 4.21Å; F762-K766 HydrophobicContact CE1-CG 3.8Å; F762-K766 HydrophobicContact CZ-CG 4.02Å; K766-N799 PolarHBondContact N-O 2.78Å; K766-V801 HydrophobicContact CD-CG2 4.46Å; K766-V801 VanDerWaalsContact CE-CG2 3.42Å; K766-R829 PolarHBondContact O-NH2 2.88Å; K766-Y959 PolarHBondContact NZ-OH 3.42Å; K766-Y959 VanDerWaalsContact NZ-OH 3.16Å
767D83.1Confident69.2Low51 Ų5157.1 Ų57.127%0.27330%0.297SS..  trans-110.115.9-164.668.7-30000115.3R765 T769 N799R765-D767 WeakPolarHBondContact CG-OD1 3.28Å; R765-D767 IonicContact CZ-OD1 3.11Å; R765-D767 IonicContact NE-OD1 2.81Å; R765-D767 PolarHBondContact NE-OD1 3.01Å; R765-D767 IonicContact NH2-OD1 3.58Å; R765-D767 PolarHBondContact NH2-OD1 3.02Å; R765-D767 IonicContact NH2-OD2 2.61Å; R765-D767 PolarHBondContact NH2-OD2 2.75Å; D767-T769 PolarHBondContact O-N 3.22Å; D767-T769 VanDerWaalsContact O-N 3.16Å; D767-N799 HydrophobicContact CB-CB 4.03Å; D767-N799 VanDerWaalsContact CG-ND2 3.27Å; D767-N799 VanDerWaalsContact OD1-CB 3.25Å; D767-N799 WeakPolarHBondContact OD1-CB 3.49Å; D767-N799 WeakPolarHBondContact OD2-CB 3.34Å; D767-N799 PolarHBondContact OD2-ND2 3.07Å
768L73.5Confident67.3Low30 Ų3060.9 Ų60.916%0.15732%0.319CS..  trans-62.8119.8-178.3-158.884.5000110.5D772 V773 R829L768-D772 HydrophobicContact CD1-CB 4.11Å; L768-D772 HydrophobicContact CG-CB 4.29Å; L768-V773 HydrophobicContact CD2-CG2 4.38Å; L768-R829 VanDerWaalsContact CB-NH1 3.27Å; L768-R829 WeakPolarHBondContact O-CD 3.15Å; L768-R829 PolarHBondContact O-NE 2.75Å; L768-R829 VanDerWaalsContact O-NE 3.14Å
769T61.2Low64.8Low69 Ų6965.5 Ų65.542%0.42334%0.341SS..  trans-83156.3171.168.30000110.4D767 E771 D772D767-T769 PolarHBondContact O-N 3.22Å; D767-T769 VanDerWaalsContact O-N 3.16Å; T769-E771 PolarHBondContact O-N 3.37Å; T769-D772 WeakPolarHBondContact CB-OD2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.18Å; T769-D772 PolarHBondContact O-N 2.85Å; T769-D772 VanDerWaalsContact O-N 3.1Å; T769-D772 PolarHBondContact OG1-N 3.42Å; T769-D772 VanDerWaalsContact OG1-N 3.11Å; T769-D772 PolarHBondContact OG1-OD2 3.11Å
770D53.7Low62.2Low120 Ų12074.1 Ų74.164%0.64238%0.381SS*.SBendtrans-61.9-22.3173.3-83.5-35000111.8V773D770-V773 VanDerWaalsContact O-CB 3.3Å; D770-V773 WeakPolarHBondContact O-CB 3.42Å; D770-V773 PolarHBondContact O-N 3.16Å
771E42.8Very low59.4Low177 Ų17779.6 Ų79.683%0.82742%0.415SS*.SBendtrans-78-29.5174-63.9-170.6173.900112.7T769 V773T769-E771 PolarHBondContact O-N 3.37Å; E771-V773 PolarHBondContact O-N 3.47Å
772D45Very low56.5Low93 Ų9384.4 Ų84.450%0.49745%0.446SS..SBendtrans-71.2-5.5171.2-63.7-49.3000112.6L768 T769 C774L768-D772 HydrophobicContact CD1-CB 4.11Å; L768-D772 HydrophobicContact CG-CB 4.29Å; T769-D772 WeakPolarHBondContact CB-OD2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.18Å; T769-D772 PolarHBondContact O-N 2.85Å; T769-D772 VanDerWaalsContact O-N 3.1Å; T769-D772 PolarHBondContact OG1-N 3.42Å; T769-D772 VanDerWaalsContact OG1-N 3.11Å; T769-D772 PolarHBondContact OG1-OD2 3.11Å; D772-C774 PolarHBondContact O-N 2.63Å
773V46.4Very low53.4Low57 Ų5790.6 Ų90.635%0.34548%0.484SS..SBendtrans-72.465.2159.9-169.80000107.8Y695 L768 D770 E771Y695-V773 VanDerWaalsContact OH-CG1 3.29Å; Y695-V773 WeakPolarHBondContact OH-CG1 3.38Å; L768-V773 HydrophobicContact CD2-CG2 4.38Å; D770-V773 VanDerWaalsContact O-CB 3.3Å; D770-V773 WeakPolarHBondContact O-CB 3.42Å; D770-V773 PolarHBondContact O-N 3.16Å; E771-V773 PolarHBondContact O-N 3.47Å
774C35.3Very low50.2Low76 Ų7699.6 Ų99.651%0.51453%0.526SS..  trans-87115.2-165.3-166.30000110.1D772 D776D772-C774 PolarHBondContact O-N 2.63Å; C774-D776 PolarHBondContact O-N 3.01Å
775I35.2Very low47.2Very low88 Ų88109.2 Ų109.245%0.45157%0.568SS.*SBendtrans62.6-12.4141.4-58.7175.7000119D777 L778 E779I775-D777 PolarHBondContact O-N 2.87Å; I775-D777 VanDerWaalsContact O-N 3.17Å; I775-L778 PolarHBondContact O-N 3.01Å; I775-E779 HydrophobicContact CG2-CB 4.03Å; I775-E779 HydrophobicContact CG2-CG 3.54Å; I775-E779 WeakPolarHBondContact CG2-OE2 3.21Å; I775-E779 PolarHBondContact O-N 3.22Å
776D41.6Very low44.1Very low104 Ų104116.3 Ų116.356%0.55660%0.6SS**THydrogen-bonded Turntrans-71.2-12.6178.4-79.1-14.1000114.2K650 C774K650-D776 PolarHBondContact NZ-O 2.87Å; C774-D776 PolarHBondContact O-N 3.01Å
777D43.8Very low41.3Very low103 Ų103124.1 Ų124.155%0.55164%0.64SS**THydrogen-bonded Turntrans-91.9-4175.7-75.9-8.8000112.6K631 K650 I775K631-D777 IonicContact NZ-OD2 3.49Å; K631-D777 PolarHBondContact NZ-OD2 2.93Å; K650-D777 IonicContact NZ-OD1 3.73Å; K650-D777 PolarHBondContact NZ-OD1 3.14Å; I775-D777 PolarHBondContact O-N 2.87Å; I775-D777 VanDerWaalsContact O-N 3.17Å
778L39.1Very low38.7Very low159 Ų159131.5 Ų131.583%0.83267%0.669SS**THydrogen-bonded Turntrans-121.6-18.8-179.9-94.7148.9000114.4I775I775-L778 PolarHBondContact O-N 3.01Å
779E30.2Very low36.5Very low141 Ų141142.6 Ų142.666%0.65971%0.709SS**  trans-112.765.2-176.3-71-174.6175.700113.6I775I775-E779 HydrophobicContact CG2-CB 4.03Å; I775-E779 HydrophobicContact CG2-CG 3.54Å; I775-E779 WeakPolarHBondContact CG2-OE2 3.21Å; I775-E779 PolarHBondContact O-N 3.22Å
780E32.9Very low34.9Very low181 Ų181141.9 Ų141.985%0.84672%0.715SS**  trans-101.955.7153.9-82.7-167.9165.300110.2
781T31.2Very low33.5Very low117 Ų117143.5 Ų143.572%0.71873%0.73SS**SBendtrans-140.7105.2156.735.60000110.4
782V32.9Very low32.8Very low124 Ų124140.9 Ų140.975%0.75273%0.726SS**SBendtrans68.686.1139.4-171.40000116
783T28.2Very low32.1Very low131 Ų131142.4 Ų142.480%0.80474%0.739SS**  150.3129.9102.1380000114.1K785T783-K785 PolarHBondContact O-N 3.44Å
784E27Very low31.4Very low188 Ų188148.2 Ų148.288%0.87976%0.763SS**  trans-49.2121172.3-59.7176.514900113.2
785K28.8Very low31.6Very low203 Ų203151.8 Ų151.888%0.88378%0.775SS**  trans-119.7104.7154-86.3-177.2178.8170.70110.1T783 M787T783-K785 PolarHBondContact O-N 3.44Å; K785-M787 PolarHBondContact O-N 2.79Å
786K26.4Very low32.5Very low204 Ų204155 Ų15589%0.88779%0.786SS**  trans-50.1117.9164.5-73.6173.5175.1170.90110.1
787M28.7Very low33.8Very low191 Ų191153.1 Ų153.194%0.94178%0.776SS**  trans-113.9140.5158.9-98.1-172.3168.500111.2K785K785-M787 PolarHBondContact O-N 2.79Å
788K30Very low35.1Very low206 Ų206155.4 Ų155.490%0.89678%0.781SS**  trans-69.2141.6-159.5-68.3168.3171.7175.30112.6G790K788-G790 PolarHBondContact O-N 3.1Å; K788-G790 VanDerWaalsContact O-N 3.12Å
789R25.9Very low37.2Very low262 Ų262150.9 Ų150.999%0.98976%0.757SS**  trans-58.1108159.3-80.1177.4170.2173.1-3.9109.2
790G27.6Very low39.9Very low54 Ų54145.5 Ų145.556%0.55773%0.734SS**  trans-109.1131.3159.400000108.2K788 T792K788-G790 PolarHBondContact O-N 3.1Å; K788-G790 VanDerWaalsContact O-N 3.12Å; G790-T792 PolarHBondContact O-N 3.22Å
791T25.3Very low42.4Very low155 Ų155137.4 Ų137.495%0.95170%0.697SS**  trans-60.598.1169.535.60000109.8
792T27.4Very low45Very low122 Ų122133.5 Ų133.575%0.74867%0.673SS**  trans-106.6116.3168.934.50000108.5G790 E794G790-T792 PolarHBondContact O-N 3.22Å; T792-E794 PolarHBondContact O-N 3.02Å
793T29.6Very low47.6Very low125 Ų125131 Ų13177%0.76766%0.655SS**  trans-33.512415620.80000109.9I795T793-I795 VanDerWaalsContact C-N 3.31Å; T793-I795 PolarHBondContact O-N 3.14Å
794E33.2Very low50.6Low179 Ų179125.5 Ų125.584%0.83662%0.621SS**  trans-60.794.4175.2-71.9-177.7164.400108.7T792 F796T792-E794 PolarHBondContact O-N 3.02Å; E794-F796 PolarHBondContact O-N 2.88Å
795I38.3Very low53.5Low150 Ų150117.8 Ų117.877%0.76959%0.589SS**  trans-72.9110.8168.2-62.6170.7000104.8T793 D797T793-I795 VanDerWaalsContact C-N 3.31Å; T793-I795 PolarHBondContact O-N 3.14Å; I795-D797 PolarHBondContact O-N 2.83Å
796F54.3Low56.4Low157 Ų157110.1 Ų110.169%0.68956%0.557SS**  trans-58.4108.8170.4-78.4-89.2000108.5E794 K798E794-F796 PolarHBondContact O-N 2.88Å; F796-K798 PolarHBondContact O-N 2.84Å; F796-K798 VanDerWaalsContact O-N 3.1Å
797D69.5Low59.3Low63 Ų63100.6 Ų100.634%0.33752%0.516SS..  trans-67.3107.4171.5-174-11.9000107.8R765 I795 N799 V800R765-D797 IonicContact CZ-OD2 3.51Å; R765-D797 IonicContact NH1-OD2 3.97Å; R765-D797 PolarHBondContact NH1-OD2 2.85Å; R765-D797 IonicContact NH2-OD2 3.33Å; R765-D797 PolarHBondContact NH2-OD2 2.94Å; I795-D797 PolarHBondContact O-N 2.83Å; D797-N799 PolarHBondContact O-N 3.38Å; D797-N799 WeakPolarHBondContact OD1-CB 3.48Å; D797-N799 PolarHBondContact OD1-N 2.93Å; D797-V800 HydrophobicContact CB-CB 4.39Å; D797-V800 HydrophobicContact CB-CG2 4.02Å; D797-V800 PolarHBondContact O-N 2.78Å
798K71.9Confident62Low152 Ų15291.7 Ų91.766%0.66147%0.472SS*.THydrogen-bonded Turntrans-56.7-19.8-179.1-72.3-172.2172.1-170.80112.8F796 V800 D960F796-K798 PolarHBondContact O-N 2.84Å; F796-K798 VanDerWaalsContact O-N 3.1Å; K798-V800 VanDerWaalsContact C-N 3.35Å; K798-D960 IonicContact NZ-OD2 3.88Å; K798-D960 PolarHBondContact NZ-OD2 3.28Å
799N82.9Confident64.5Low63 Ų6385.7 Ų85.734%0.33744%0.444SS..THydrogen-bonded Turntrans-88-3.1179.8-61-28.3000113R765 K766 D767 D797R765-N799 CarbonylContact C-O 3.52Å; R765-N799 WeakPolarHBondContact CA-O 3.16Å; K766-N799 PolarHBondContact N-O 2.78Å; D767-N799 HydrophobicContact CB-CB 4.03Å; D767-N799 VanDerWaalsContact CG-ND2 3.27Å; D767-N799 VanDerWaalsContact OD1-CB 3.25Å; D767-N799 WeakPolarHBondContact OD1-CB 3.49Å; D767-N799 WeakPolarHBondContact OD2-CB 3.34Å; D767-N799 PolarHBondContact OD2-ND2 3.07Å; D797-N799 PolarHBondContact O-N 3.38Å; D797-N799 WeakPolarHBondContact OD1-CB 3.48Å; D797-N799 PolarHBondContact OD1-N 2.93Å
800V85.7Confident66.9Low29 Ų2973.9 Ų73.918%0.17640%0.4CS..EExtended strand (participates in β ladder)trans-111.8117.1177.2-176.30000110.4T715 R765 D797 K798 T802T715-V800 HydrophobicContact CG2-CG1 4.08Å; T715-V800 WeakPolarHBondContact OG1-CG1 3.24Å; R765-V800 HydrophobicContact CB-CG2 4.23Å; R765-V800 HydrophobicContact CG-CG2 4.12Å; D797-V800 HydrophobicContact CB-CB 4.39Å; D797-V800 HydrophobicContact CB-CG2 4.02Å; D797-V800 PolarHBondContact O-N 2.78Å; K798-V800 VanDerWaalsContact C-N 3.35Å; V800-T802 HydrophobicContact CG1-CG2 4.42Å
801V86.6Confident68.8Low11 Ų1175.5 Ų75.57%0.06739%0.393CS..EExtended strand (participates in β ladder)trans-94.3111175.4177.60000108.5T715 F762 W763 G764 K766 L803 S805T715-V801 PolarHBondContact OG1-O 3.47Å; F762-V801 HydrophobicContact CD1-CB 4.25Å; F762-V801 HydrophobicContact CD1-CG2 4.18Å; F762-V801 HydrophobicContact CE1-CB 4.25Å; F762-V801 HydrophobicContact CE1-CG2 4.1Å; W763-V801 HydrophobicContact CB-CG1 4.11Å; W763-V801 WeakPolarHBondContact CB-O 3.24Å; G764-V801 PolarHBondContact N-O 3.12Å; G764-V801 PolarHBondContact O-N 2.79Å; K766-V801 HydrophobicContact CD-CG2 4.46Å; K766-V801 VanDerWaalsContact CE-CG2 3.42Å; V801-L803 VanDerWaalsContact CG1-O 3.29Å; V801-L803 WeakPolarHBondContact CG1-O 3.48Å; V801-S805 VanDerWaalsContact CG1-OG 3.23Å; V801-S805 WeakPolarHBondContact CG1-OG 3.31Å
802T85.8Confident70.7Confident34 Ų3470.3 Ų70.321%0.20936%0.359CS..EExtended strand (participates in β ladder)trans-84.5-19.5-166.761.20000115.4T715 G720 V800T715-T802 HydrophobicContact CG2-CG2 4.01Å; T715-T802 WeakPolarHBondContact OG1-CA 3.45Å; G720-T802 VanDerWaalsContact CA-O 3.22Å; G720-T802 WeakPolarHBondContact CA-O 3.37Å; G720-T802 PolarHBondContact N-O 2.66Å; G720-T802 VanDerWaalsContact N-O 3.07Å; V800-T802 HydrophobicContact CG1-CG2 4.42Å
803L87.5Confident72Confident72 Ų7270.1 Ų70.138%0.37735%0.35SS..EExtended strand (participates in β ladder)trans-132.3150.1-179.9-71.5171.8000109.7G720 V801 S805G720-L803 VanDerWaalsContact CA-CD2 3.48Å; V801-L803 VanDerWaalsContact CG1-O 3.29Å; V801-L803 WeakPolarHBondContact CG1-O 3.48Å; L803-S805 PolarHBondContact O-N 2.95Å; L803-S805 PolarHBondContact O-OG 3.05Å
804P90.5Very high73.1Confident15 Ų1571.2 Ų71.210%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-48116.5174-28.234.2000111.7V733 S735 L736 Y761 W763V733-P804 HydrophobicContact CG1-CG 3.55Å; S735-P804 VanDerWaalsContact OG-CD 3.29Å; S735-P804 WeakPolarHBondContact OG-CD 3.38Å; S735-P804 WeakPolarHBondContact OG-CG 3.49Å; L736-P804 HydrophobicContact CD1-CB 4.27Å; L736-P804 HydrophobicContact CD1-CG 4.19Å; L736-P804 HydrophobicContact CD2-CB 4.12Å; L736-P804 HydrophobicContact CG-CB 4.14Å; L736-P804 HydrophobicContact CG-CG 4.21Å; Y761-P804 HydrophobicContact CD1-CB 4.29Å; W763-P804 HydrophobicContact CD2-CB 4.18Å; W763-P804 HydrophobicContact CD2-CG 3.75Å; W763-P804 HydrophobicContact CE3-CB 3.54Å; W763-P804 HydrophobicContact CE3-CG 3.55Å; W763-P804 HydrophobicContact CG-CG 4.36Å; W763-P804 HydrophobicContact CH2-CG 4.16Å; W763-P804 HydrophobicContact CZ2-CG 4.37Å; W763-P804 HydrophobicContact CZ3-CB 3.8Å; W763-P804 HydrophobicContact CZ3-CG 3.77Å
805S88.4Confident73.9Confident27 Ų2765.7 Ų65.719%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-119.8131.5-177.6-60.90000109.3Y761 F762 V801 L803 I807Y761-S805 CarbonylContact C-O 3.56Å; Y761-S805 VanDerWaalsContact CA-O 3.27Å; Y761-S805 WeakPolarHBondContact CA-O 3.19Å; F762-S805 PolarHBondContact N-O 2.74Å; F762-S805 PolarHBondContact O-N 2.98Å; V801-S805 VanDerWaalsContact CG1-OG 3.23Å; V801-S805 WeakPolarHBondContact CG1-OG 3.31Å; L803-S805 PolarHBondContact O-N 2.95Å; L803-S805 PolarHBondContact O-OG 3.05Å; S805-I807 PolarHBondContact O-N 2.59Å
806L88.7Confident74.3Confident41 Ų4164.4 Ų64.422%0.21533%0.326CS..EExtended strand (participates in β ladder)trans-65.6126.3178.3-18064.4000110E759 Y761 L808 R809 L983E759-L806 HydrophobicContact CB-CD1 3.57Å; E759-L806 HydrophobicContact CG-CD1 3.94Å; Y761-L806 HydrophobicContact CD1-CB 4.25Å; Y761-L806 HydrophobicContact CD2-CD1 4.49Å; Y761-L806 HydrophobicContact CE1-CB 3.92Å; Y761-L806 HydrophobicContact CE1-CD1 4.44Å; Y761-L806 HydrophobicContact CE2-CD1 4.09Å; L806-L808 WeakPolarHBondContact CD1-O 3.48Å; L806-R809 HydrophobicContact CD2-CB 4.46Å; L806-L983 HydrophobicContact CD2-CD1 3.52Å; L806-L983 HydrophobicContact CG-CD1 3.95Å
807I87.4Confident74.3Confident4 Ų460.5 Ų60.52%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-119.2-20.8-179.858.8156.5000114L450 I455 L752 L760 F762 S805L450-I807 HydrophobicContact CD2-CD1 3.97Å; I455-I807 HydrophobicContact CG2-CB 3.57Å; I455-I807 HydrophobicContact CG2-CD1 3.93Å; I455-I807 HydrophobicContact CG2-CG1 4.37Å; I455-I807 HydrophobicContact CG2-CG2 3.64Å; L752-I807 HydrophobicContact CD2-CD1 3.87Å; L760-I807 HydrophobicContact CB-CG1 4.17Å; L760-I807 HydrophobicContact CD2-CD1 3.78Å; L760-I807 HydrophobicContact CD2-CG1 4.19Å; L760-I807 HydrophobicContact CG-CD1 4Å; L760-I807 HydrophobicContact CG-CG1 4Å; L760-I807 WeakPolarHBondContact O-CG1 3.24Å; L760-I807 PolarHBondContact O-N 3.24Å; F762-I807 HydrophobicContact CB-CB 4.5Å; F762-I807 HydrophobicContact CB-CD1 3.79Å; F762-I807 HydrophobicContact CB-CG1 4.03Å; F762-I807 HydrophobicContact CB-CG2 3.67Å; S805-I807 PolarHBondContact O-N 2.59Å
808L85.2Confident74Confident5 Ų559.1 Ų59.13%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-145.6134.3177.3179.769.7000109.1L457 E759 L760 L806 L810 L821 V833 I982L457-L808 HydrophobicContact CD1-CD1 3.87Å; L457-L808 HydrophobicContact CD1-CD2 4.07Å; E759-L808 CarbonylContact C-O 3.57Å; E759-L808 VanDerWaalsContact CA-O 3.31Å; E759-L808 WeakPolarHBondContact CA-O 3.42Å; L760-L808 HydrophobicContact CB-CB 3.85Å; L760-L808 HydrophobicContact CD2-CB 4.48Å; L760-L808 HydrophobicContact CD2-CD2 4.48Å; L760-L808 PolarHBondContact N-O 3.22Å; L760-L808 PolarHBondContact O-N 2.88Å; L806-L808 WeakPolarHBondContact CD1-O 3.48Å; L808-L810 HydrophobicContact CD1-CD2 4.03Å; L808-L810 HydrophobicContact CD2-CD2 4.15Å; L808-L810 HydrophobicContact CG-CD2 4.08Å; L808-L821 HydrophobicContact CD2-CD1 4.5Å; L808-V833 HydrophobicContact CD2-CG1 4.25Å; L808-I982 HydrophobicContact CD1-CG1 4.05Å
809R82.6Confident74.1Confident80 Ų8053.2 Ų53.230%0.30229%0.285SS..EExtended strand (participates in β ladder)trans-134.5119.5169.4-173.4177.9-123.6-168.1-0.4108.9E759 L806 Q811 V981E759-R809 HydrophobicContact CG-CG 4.11Å; E759-R809 IonicContact OE1-CZ 2.74Å; E759-R809 IonicContact OE1-NE 3.57Å; E759-R809 PolarHBondContact OE1-NE 3.21Å; E759-R809 IonicContact OE1-NH2 3.84Å; E759-R809 PolarHBondContact OE1-NH2 3.2Å; L806-R809 HydrophobicContact CD2-CB 4.46Å; R809-Q811 HydrophobicContact CG-CG 4.15Å; R809-V981 PolarHBondContact N-O 3.31Å
810L76.9Confident73.8Confident14 Ų1454.6 Ų54.67%0.07329%0.286CS..  trans-87.5122.7177.3-52.2177.3000108.9Q758 L808 I819 L821 V835 C980Q758-L810 HydrophobicContact CB-CB 3.91Å; Q758-L810 HydrophobicContact CB-CD1 4.44Å; Q758-L810 HydrophobicContact CB-CG 4.41Å; Q758-L810 PolarHBondContact O-N 3.28Å; L808-L810 HydrophobicContact CD1-CD2 4.03Å; L808-L810 HydrophobicContact CD2-CD2 4.15Å; L808-L810 HydrophobicContact CG-CD2 4.08Å; L810-I819 HydrophobicContact CB-CG2 4.16Å; L810-I819 HydrophobicContact CD1-CG2 4.06Å; L810-L821 HydrophobicContact CD1-CB 3.83Å; L810-V835 HydrophobicContact CD1-CG1 3.86Å; L810-V835 HydrophobicContact CD1-CG2 4.19Å; L810-V835 HydrophobicContact CD2-CG1 4.49Å; L810-C980 WeakPolarHBondContact CD2-SG 3.45Å
811Q67.8Low73.7Confident87 Ų8753.9 Ų53.941%0.40728%0.28SS..  trans-127.9133.4177.2-66.6-173.8-26.400109.8R809R809-Q811 HydrophobicContact CG-CG 4.15Å
812D65.4Low73.6Confident46 Ų4655.2 Ų55.225%0.24629%0.29CS..  trans-95.4101.2167.6178.513.2000108.7R814 G815 D816 K817D812-R814 PolarHBondContact O-N 3.39Å; D812-R814 PolarHBondContact OD1-N 3.18Å; D812-R814 VanDerWaalsContact OD1-N 3.13Å; D812-G815 VanDerWaalsContact CG-N 3.33Å; D812-G815 PolarHBondContact OD1-N 2.79Å; D812-G815 WeakPolarHBondContact OD2-CA 3.42Å; D812-G815 PolarHBondContact OD2-N 2.93Å; D812-D816 PolarHBondContact OD2-N 3.21Å; D812-K817 PolarHBondContact OD2-N 3.18Å
813E54.6Low73.6Confident118 Ų11854.6 Ų54.655%0.55129%0.291SS*.THydrogen-bonded Turntrans-61.6-24.4-179.3-71.7-176.1174.400113.5T979E813-T979 WeakPolarHBondContact OE1-CB 3.28Å; E813-T979 PolarHBondContact OE1-OG1 3.17Å; E813-T979 PolarHBondContact OE2-OG1 3.25Å
814R51Low73.9Confident148 Ų14852.2 Ų52.256%0.55828%0.278SS*.THydrogen-bonded Turntrans-104.2-12.5-173.8-63.2-170.8-175.7-156.3-0.4113.7D812 D816 S977D812-R814 PolarHBondContact O-N 3.39Å; D812-R814 PolarHBondContact OD1-N 3.18Å; D812-R814 VanDerWaalsContact OD1-N 3.13Å; R814-D816 HydrophobicContact CB-CB 4.48Å; R814-D816 PolarHBondContact O-N 3.44Å; R814-D816 VanDerWaalsContact O-N 3.14Å; R814-S977 PolarHBondContact NE-OG 2.95Å; R814-S977 VanDerWaalsContact NE-OG 3.07Å; R814-S977 PolarHBondContact NH2-OG 3.23Å
815G51.6Low74.1Confident63 Ų6352 Ų5265%0.64928%0.278SS*.SBendtrans66.53.6-175.900000115D812D812-G815 VanDerWaalsContact CG-N 3.33Å; D812-G815 PolarHBondContact OD1-N 2.79Å; D812-G815 WeakPolarHBondContact OD2-CA 3.42Å; D812-G815 PolarHBondContact OD2-N 2.93Å
816D46.5Very low74.4Confident123 Ų12352.1 Ų52.166%0.65828%0.278SS*.SBendtrans-96.8-15.1-173.9-79.8-20.9000113.1D812 R814D812-D816 PolarHBondContact OD2-N 3.21Å; R814-D816 HydrophobicContact CB-CB 4.48Å; R814-D816 PolarHBondContact O-N 3.44Å; R814-D816 VanDerWaalsContact O-N 3.14Å
817K53.9Low74.6Confident75 Ų7550.8 Ų50.833%0.32627%0.272SS..SBendtrans-135.698.2-175.8-68.3-171.4-179.8-1720109.7D812 I819 L838D812-K817 PolarHBondContact OD2-N 3.18Å; K817-I819 PolarHBondContact O-N 3.07Å; K817-I819 VanDerWaalsContact O-N 3.1Å; K817-L838 WeakPolarHBondContact CA-O 3.42Å
818G63.3Low74.8Confident35 Ų3551 Ų5136%0.36128%0.275SS..  trans-59.7117.3177.200000111.6L838G818-L838 WeakPolarHBondContact O-CB 3.4Å; G818-L838 PolarHBondContact O-N 3.04Å
819I73.3Confident75.1Confident27 Ų2752.7 Ų52.714%0.13828%0.281CS..EExtended strand (participates in β ladder)trans-104.4133171.9-52.7169.5000107.6L810 K817 V835 D836 T978L810-I819 HydrophobicContact CB-CG2 4.16Å; L810-I819 HydrophobicContact CD1-CG2 4.06Å; K817-I819 PolarHBondContact O-N 3.07Å; K817-I819 VanDerWaalsContact O-N 3.1Å; I819-V835 HydrophobicContact CG2-CG1 3.55Å; I819-D836 WeakPolarHBondContact CA-O 3.39Å; I819-T978 HydrophobicContact CD1-CG2 3.2Å; I819-T978 HydrophobicContact CG1-CG2 4.32Å
820R77.1Confident75.6Confident93 Ų9351.9 Ų51.935%0.35128%0.279SS..EExtended strand (participates in β ladder)trans-138.2135.8-178.3174.8171.2-177.21624.6110.9E398 S822 V835 D836E398-R820 IonicContact OE1-CZ 3.33Å; E398-R820 IonicContact OE1-NH1 3.85Å; E398-R820 PolarHBondContact OE1-NH1 2.82Å; E398-R820 IonicContact OE1-NH2 2.61Å; E398-R820 PolarHBondContact OE1-NH2 2.68Å; R820-S822 PolarHBondContact O-N 3.09Å; R820-S822 VanDerWaalsContact O-N 3.16Å; R820-V835 CarbonylContact O-C 3.51Å; R820-V835 WeakPolarHBondContact O-CA 3.46Å; R820-D836 HydrophobicContact CB-CB 4.44Å; R820-D836 PolarHBondContact N-O 3.03Å; R820-D836 PolarHBondContact O-N 2.95Å
821L83.9Confident76.4Confident13 Ų1351.2 Ų51.27%0.06828%0.276CS..EExtended strand (participates in β ladder)trans-70104.5163.8-17469.6000107.5L808 L810 L824 V833 V835L808-L821 HydrophobicContact CD2-CD1 4.5Å; L810-L821 HydrophobicContact CD1-CB 3.83Å; L821-L824 HydrophobicContact CD1-CD2 4.14Å; L821-L824 HydrophobicContact CD2-CD1 4.35Å; L821-L824 HydrophobicContact CD2-CG 4.49Å; L821-V833 HydrophobicContact CD1-CG1 3.47Å; L821-V833 VanDerWaalsContact CD1-CG1 3.47Å; L821-V835 HydrophobicContact CD1-CG2 4.39Å
822S84.1Confident77.7Confident39 Ų3947.1 Ų47.127%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-97.6-22.6-169.456.10000113.7R820 A834 D836R820-S822 PolarHBondContact O-N 3.09Å; R820-S822 VanDerWaalsContact O-N 3.16Å; S822-A834 PolarHBondContact N-O 3.24Å; S822-A834 PolarHBondContact OG-O 2.88Å; S822-D836 VanDerWaalsContact CB-OD1 3.23Å; S822-D836 WeakPolarHBondContact CB-OD1 3.44Å; S822-D836 WeakPolarHBondContact CB-OD2 3.32Å; S822-D836 VanDerWaalsContact OG-CG 3.22Å; S822-D836 PolarHBondContact OG-OD1 2.85Å
823G86.6Confident79Confident21 Ų2144.9 Ų44.922%0.21625%0.245CC..EExtended strand (participates in β ladder)trans-165.3155.2177.500000113.5A834G823-A834 PolarHBondContact N-O 3.36Å; G823-A834 PolarHBondContact O-N 3.24Å
824L93.2Very high80.7Confident22 Ų2239.5 Ų39.512%0.11522%0.22CC..EExtended strand (participates in β ladder)trans-136.5139.8173.2-63.2168.7000108.8H743 L745 L760 L821 H832 V833H743-L824 HydrophobicContact CB-CD1 4.22Å; L745-L824 HydrophobicContact CD1-CB 3.36Å; L745-L824 HydrophobicContact CD1-CD1 4.43Å; L745-L824 HydrophobicContact CD1-CG 4.49Å; L745-L824 HydrophobicContact CG-CB 4.32Å; L760-L824 HydrophobicContact CD1-CD1 3.62Å; L760-L824 HydrophobicContact CD1-CD2 4.13Å; L760-L824 HydrophobicContact CD2-CD2 4.33Å; L821-L824 HydrophobicContact CD1-CD2 4.14Å; L821-L824 HydrophobicContact CD2-CD1 4.35Å; L821-L824 HydrophobicContact CD2-CG 4.49Å; L824-H832 WeakPolarHBondContact CA-O 3.42Å; L824-V833 HydrophobicContact CD2-CB 4.14Å; L824-V833 HydrophobicContact CD2-CG1 3.89Å; L824-V833 HydrophobicContact CD2-CG2 3.8Å
825A94.4Very high82.5Confident12 Ų1232.9 Ų32.910%0.09920%0.197CC..EExtended strand (participates in β ladder)trans-134.4140.4173.600000110.5V472 L474 V831 H832V472-A825 HydrophobicContact CB-CB 4.32Å; V472-A825 HydrophobicContact CG1-CB 4.13Å; L474-A825 HydrophobicContact CB-CB 4.22Å; L474-A825 HydrophobicContact CD2-CB 4.3Å; A825-V831 CarbonylContact O-C 3.49Å; A825-V831 WeakPolarHBondContact O-CA 3.41Å; A825-H832 HydrophobicContact CB-CB 4.46Å; A825-H832 PolarHBondContact N-O 2.9Å; A825-H832 PolarHBondContact O-N 2.81Å
826V95Very high84Confident29 Ų2931.4 Ų31.418%0.17617%0.174CC..EExtended strand (participates in β ladder)trans-133140.7175.868.80000110.6L745 F750 K830 V831L745-V826 HydrophobicContact CB-CB 4.31Å; L745-V826 HydrophobicContact CB-CG1 3.73Å; L745-V826 HydrophobicContact CD1-CB 4.14Å; L745-V826 HydrophobicContact CD1-CG1 4.15Å; L745-V826 HydrophobicContact CD2-CG1 4.11Å; L745-V826 HydrophobicContact CG-CG1 4.23Å; F750-V826 HydrophobicContact CE2-CG2 4.45Å; F750-V826 HydrophobicContact CZ-CG2 4.07Å; V826-K830 WeakPolarHBondContact CA-O 3.27Å; V826-V831 HydrophobicContact CB-CG2 4.38Å; V826-V831 HydrophobicContact CG2-CG2 3.85Å
827S93.7Very high85.4Confident13 Ų1328.2 Ų28.29%0.09116%0.156CC..EExtended strand (participates in β ladder)trans-145.8117164.4-172.90000109.3L474 S475 K476 R829 K830L474-S827 WeakPolarHBondContact O-CB 3.41Å; S475-S827 WeakPolarHBondContact CA-OG 3.42Å; K476-S827 PolarHBondContact N-OG 2.93Å; S827-R829 PolarHBondContact O-N 2.81Å; S827-R829 VanDerWaalsContact O-N 3.12Å; S827-K830 PolarHBondContact N-O 2.66Å; S827-K830 PolarHBondContact O-N 2.81Å
828G90.9Very high86Confident8 Ų828.4 Ų28.48%0.08216%0.159CC..THydrogen-bonded Turntrans57.8-114.4-168.900000111.3G747 D748G747-G828 CarbonylContact C-O 3.51Å; G747-G828 VanDerWaalsContact CA-O 3.31Å; G747-G828 WeakPolarHBondContact CA-O 3.49Å; D748-G828 VanDerWaalsContact CG-CA 3.45Å; D748-G828 PolarHBondContact N-O 2.68Å; D748-G828 VanDerWaalsContact OD2-CA 3.24Å; D748-G828 WeakPolarHBondContact OD2-CA 3.36Å
829R91.7Very high85.7Confident40 Ų4031.3 Ų31.315%0.15116%0.164CC..THydrogen-bonded Turntrans-103.5-1.9175.3-58.2-170.265.281.9-0.8114.9V452 D748 F750 R765 K766 L768 S827V452-R829 WeakPolarHBondContact CG2-O 3.34Å; D748-R829 HydrophobicContact CB-CG 3.89Å; D748-R829 PolarHBondContact O-NH1 2.81Å; F750-R829 HydrophobicContact CE1-CB 4.35Å; F750-R829 HydrophobicContact CE1-CG 4.28Å; R765-R829 PolarHBondContact O-NH1 2.81Å; R765-R829 VanDerWaalsContact O-NH1 3.14Å; R765-R829 PolarHBondContact O-NH2 3.05Å; K766-R829 PolarHBondContact O-NH2 2.88Å; L768-R829 VanDerWaalsContact CB-NH1 3.27Å; L768-R829 WeakPolarHBondContact O-CD 3.15Å; L768-R829 PolarHBondContact O-NE 2.75Å; L768-R829 VanDerWaalsContact O-NE 3.14Å; S827-R829 PolarHBondContact O-N 2.81Å; S827-R829 VanDerWaalsContact O-N 3.12Å
830K92.4Very high84.3Confident63 Ų6332.1 Ų32.127%0.27418%0.179SC..EExtended strand (participates in β ladder)trans-81.8128.4176.6-168.5171179.3-167.30109.4L474 T479 V826 S827 H832L474-K830 HydrophobicContact CD1-CD 3.68Å; L474-K830 HydrophobicContact CD1-CG 4.08Å; L474-K830 HydrophobicContact CD2-CB 4.28Å; L474-K830 HydrophobicContact CD2-CG 4.14Å; L474-K830 WeakPolarHBondContact CD2-O 3.36Å; T479-K830 PolarHBondContact OG1-NZ 3.5Å; V826-K830 WeakPolarHBondContact CA-O 3.27Å; S827-K830 PolarHBondContact N-O 2.66Å; S827-K830 PolarHBondContact O-N 2.81Å; K830-H832 WeakPolarHBondContact CE-NE2 3.48Å
831V94.5Very high82.3Confident0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-132.6127.8-177.21790000109.7L450 V452 F750 L752 A825 V826 V833L450-V831 HydrophobicContact CB-CB 4.03Å; L450-V831 HydrophobicContact CB-CG1 3.97Å; L450-V831 HydrophobicContact CD2-CB 4.42Å; L450-V831 HydrophobicContact CD2-CG1 3.99Å; L450-V831 PolarHBondContact N-O 3.33Å; V452-V831 HydrophobicContact CG2-CG2 3.96Å; F750-V831 HydrophobicContact CE2-CG2 3.87Å; F750-V831 HydrophobicContact CZ-CG2 3.65Å; L752-V831 HydrophobicContact CD1-CB 4.44Å; L752-V831 HydrophobicContact CD1-CG1 3.63Å; L752-V831 HydrophobicContact CD1-CG2 3.94Å; A825-V831 CarbonylContact O-C 3.49Å; A825-V831 WeakPolarHBondContact O-CA 3.41Å; V826-V831 HydrophobicContact CB-CG2 4.38Å; V826-V831 HydrophobicContact CG2-CG2 3.85Å; V831-V833 HydrophobicContact CG1-CG2 4.32Å
832H94.4Very high79.8Confident1 Ų147.8 Ų47.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-111.8139.2171.8-69.3-43.2000111.2L447 Y448 D449 V472 T479 L824 A825 K830L447-H832 HydrophobicContact CD1-CB 4Å; L447-H832 HydrophobicContact CG-CB 4.49Å; Y448-H832 CarbonylContact O-C 3.57Å; Y448-H832 VanDerWaalsContact O-CA 3.28Å; Y448-H832 WeakPolarHBondContact O-CA 3.33Å; D449-H832 IonicContact OD1-CE1 3.71Å; D449-H832 PolarHBondContact OD1-CE1 3.26Å; D449-H832 VanDerWaalsContact OD1-CE1 3.23Å; D449-H832 IonicContact OD1-ND1 3.94Å; D449-H832 PolarHBondContact OD1-ND1 2.89Å; V472-H832 HydrophobicContact CG1-CB 4.29Å; T479-H832 PolarHBondContact OG1-NE2 2.8Å; L824-H832 WeakPolarHBondContact CA-O 3.42Å; A825-H832 HydrophobicContact CB-CB 4.46Å; A825-H832 PolarHBondContact N-O 2.9Å; A825-H832 PolarHBondContact O-N 2.81Å; K830-H832 WeakPolarHBondContact CE-NE2 3.48Å
833V92.5Very high77Confident0 Ų053.7 Ų53.70%027%0.27CS..EExtended strand (participates in β ladder)trans-123.3116.5-178.1-176.50000108.9Y448 L450 L457 L760 L808 L821 L824 V831 V835Y448-V833 PolarHBondContact N-O 3.37Å; Y448-V833 PolarHBondContact O-N 3.43Å; L450-V833 HydrophobicContact CB-CG2 4.07Å; L457-V833 HydrophobicContact CD2-CB 4.1Å; L457-V833 HydrophobicContact CD2-CG2 3.87Å; L760-V833 HydrophobicContact CD2-CG2 4.45Å; L808-V833 HydrophobicContact CD2-CG1 4.25Å; L821-V833 HydrophobicContact CD1-CG1 3.47Å; L821-V833 VanDerWaalsContact CD1-CG1 3.47Å; L824-V833 HydrophobicContact CD2-CB 4.14Å; L824-V833 HydrophobicContact CD2-CG1 3.89Å; L824-V833 HydrophobicContact CD2-CG2 3.8Å; V831-V833 HydrophobicContact CG1-CG2 4.32Å; V833-V835 HydrophobicContact CG1-CG2 4.25Å
834A90.6Very high74.3Confident4 Ų458.1 Ų58.13%0.03330%0.295CS..EExtended strand (participates in β ladder)trans-99.1128.4177.800000110.3T445 L447 S822 G823T445-A834 HydrophobicContact CG2-CB 3.82Å; L447-A834 HydrophobicContact CD1-CB 4.01Å; S822-A834 PolarHBondContact N-O 3.24Å; S822-A834 PolarHBondContact OG-O 2.88Å; G823-A834 PolarHBondContact N-O 3.36Å; G823-A834 PolarHBondContact O-N 3.24Å
835V87.9Confident71.3Confident10 Ų1062.7 Ų62.76%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-125.7118.2-178.9-179.40000109.7T445 T446 Y448 L810 I819 R820 L821 V833T445-V835 CarbonylContact C-O 3.54Å; T445-V835 WeakPolarHBondContact CA-O 3.34Å; T446-V835 PolarHBondContact N-O 2.93Å; T446-V835 PolarHBondContact O-N 2.88Å; Y448-V835 HydrophobicContact CD2-CG2 4.11Å; Y448-V835 HydrophobicContact CE2-CB 4.12Å; Y448-V835 HydrophobicContact CE2-CG2 4.02Å; L810-V835 HydrophobicContact CD1-CG1 3.86Å; L810-V835 HydrophobicContact CD1-CG2 4.19Å; L810-V835 HydrophobicContact CD2-CG1 4.49Å; I819-V835 HydrophobicContact CG2-CG1 3.55Å; R820-V835 CarbonylContact O-C 3.51Å; R820-V835 WeakPolarHBondContact O-CA 3.46Å; L821-V835 HydrophobicContact CD1-CG2 4.39Å; V833-V835 HydrophobicContact CG1-CG2 4.25Å
836D83.3Confident68.5Low31 Ų3166.5 Ų66.517%0.16636%0.36CS..EExtended strand (participates in β ladder)trans-83.7141.8174.9-71.3-4.3000111.2F444 T445 I819 R820 S822F444-D836 CarbonylContact O-C 3.58Å; F444-D836 WeakPolarHBondContact O-CA 3.17Å; T445-D836 VanDerWaalsContact CB-OD1 3.29Å; T445-D836 WeakPolarHBondContact CB-OD1 3.43Å; T445-D836 WeakPolarHBondContact CG2-OD1 3.35Å; T445-D836 PolarHBondContact OG1-OD1 3.04Å; I819-D836 WeakPolarHBondContact CA-O 3.39Å; R820-D836 HydrophobicContact CB-CB 4.44Å; R820-D836 PolarHBondContact N-O 3.03Å; R820-D836 PolarHBondContact O-N 2.95Å; S822-D836 VanDerWaalsContact CB-OD1 3.23Å; S822-D836 WeakPolarHBondContact CB-OD1 3.44Å; S822-D836 WeakPolarHBondContact CB-OD2 3.32Å; S822-D836 VanDerWaalsContact OG-CG 3.22Å; S822-D836 PolarHBondContact OG-OD1 2.85Å
837M76.1Confident65.5Low57 Ų5773.5 Ų73.528%0.28140%0.396SS..EExtended strand (participates in β ladder)trans-119.2125.2168.9-67.1-168.4-83.100109.7S443 F444 F970S443-M837 WeakPolarHBondContact CA-O 3.5Å; F444-M837 PolarHBondContact N-O 2.97Å; F444-M837 VanDerWaalsContact N-O 3.07Å; F444-M837 PolarHBondContact O-N 3.34Å; M837-F970 HydrophobicContact CE-CE1 4.18Å; M837-F970 HydrophobicContact SD-CE1 3.56Å; M837-F970 VanDerWaalsContact SD-CE1 3.56Å; M837-F970 HydrophobicContact SD-CZ 4.19Å
838L66Low62.6Low78 Ų7877.1 Ų77.141%0.40843%0.426SS..EExtended strand (participates in β ladder)trans-95.8118.4173.2-63.8166.7000109.3K817 G818 G840K817-L838 WeakPolarHBondContact CA-O 3.42Å; G818-L838 WeakPolarHBondContact O-CB 3.4Å; G818-L838 PolarHBondContact O-N 3.04Å; L838-G840 PolarHBondContact O-N 2.78Å
839E57.5Low59.6Low97 Ų9785.5 Ų85.545%0.45346%0.463SS..  trans-74.9111.5167.2-79.4-170.9162.900109.7
840G44.3Very low56.6Low44 Ų4495 Ų9545%0.45450%0.499SS..  trans-60.3142.4167.100000111.2L838 R842L838-G840 PolarHBondContact O-N 2.78Å; G840-R842 PolarHBondContact O-N 3.15Å
841K35Very low53.5Low203 Ų20398.2 Ų98.288%0.88353%0.528SS*.  trans-56.8110.1175.8-75179.9178.4174.30109.6L843K841-L843 PolarHBondContact O-N 3.23Å
842R30.9Very low50.3Low232 Ų232109.7 Ų109.788%0.87557%0.572SS**PPolyproline II helixtrans-63.6116.1162.4-88.4-175.9174.3176.8-0.5108.4G840G840-R842 PolarHBondContact O-N 3.15Å
843L25.5Very low47.2Very low162 Ų162116 Ų11685%0.84862%0.616SS**PPolyproline II helixtrans-59.4141.1163.5-90.9132.6000109.5K841 S845K841-L843 PolarHBondContact O-N 3.23Å; L843-S845 PolarHBondContact O-N 3.49Å
844P30.7Very low44.2Very low115 Ų115119.2 Ų119.275%0.74765%0.649SS**PPolyproline II helixtrans-56.6136177.7-22.132000112.1A846P844-A846 PolarHBondContact O-N 2.77Å
845S30.5Very low41.3Very low118 Ų118124.8 Ų124.883%0.82569%0.688SS**SBendtrans-73.947.6-170.967.30000115.4L843L843-S845 PolarHBondContact O-N 3.49Å
846A34.3Very low38.2Very low91 Ų91129 Ų12975%0.75272%0.724SS**SBendtrans-107.35.4178.900000114.5P844P844-A846 PolarHBondContact O-N 2.77Å
847L32.7Very low35.4Very low176 Ų176133.4 Ų133.492%0.92175%0.754SS**SBendtrans-1289177.4-75.9164000113.9
848A32Very low33.1Very low89 Ų89135.2 Ų135.274%0.73678%0.778SS**  trans-987.9-178.100000114.5
849E29.6Very low31.4Very low184 Ų184139.2 Ų139.286%0.8680%0.798SS**  trans-11076.8173.8-72.9-173166.800110.7
850R28.9Very low30Very low240 Ų240141.9 Ų141.991%0.90682%0.816SS**SBendtrans-170.1131.1151.3-104.9159.9-174.1-156.81.1108.6
851C26.3Very low29.4Very low131 Ų131147.2 Ų147.289%0.88583%0.834SS**  trans90.959-179.2-47.40000116
852R26.9Very low29.3Very low241 Ų241145.8 Ų145.891%0.90983%0.83SS**  trans-93.3146.5139.7-79.8-173.4177.3-176.20.1108.7
853S29.1Very low29.4Very low132 Ų132140.5 Ų140.592%0.92382%0.824SS**  trans83.1120.4173.177.30000116.7
854G30.2Very low30Very low69 Ų69139.7 Ų139.771%0.71183%0.826SS**  trans142.571.616800000115.4
855S29.4Very low30.1Very low120 Ų120141.3 Ų141.384%0.83982%0.823SS**  trans59111.1134.7-38.50000120.4
856A22.5Very low30.8Very low99 Ų99139.9 Ų139.982%0.81881%0.81SS**  trans-55154.4157.200000112
857P26Very low30.9Very low124 Ų124143.6 Ų143.681%0.80580%0.804SS**  -139.7157.7102.931-14000114.7
858A26Very low31.1Very low95 Ų95140 Ų14079%0.78579%0.785SS**  trans-63.5137.8-177.900000114
859I30.3Very low31.4Very low161 Ų161144.4 Ų144.483%0.82678%0.783SS**  trans-139121.8158-65.3-178.2000107.5
860N28.3Very low31.9Very low154 Ų154139.1 Ų139.182%0.82476%0.758SS**  trans-67.3130.7168.6-65.7-22.3000109.4
861D33.4Very low32.5Very low155 Ų155134 Ų13483%0.82975%0.745SS**  trans-155.9119.1142.6-121.9-14.2000110.6
862E31.9Very low33.3Very low174 Ų174135.3 Ų135.381%0.81374%0.736SS**  trans-73.4115.5172.4-64170.8142.700108.1
863T33.7Very low34.2Very low121 Ų121130.9 Ų130.974%0.74273%0.725SS**  trans173.671.4158.629.80000112.6
864T36.7Very low34.7Very low145 Ų145131.2 Ų131.289%0.8971%0.71SS**  trans-158.582.3141.5-17.30000109.5
865H34.5Very low34.8Very low148 Ų148130.3 Ų130.369%0.68570%0.696SS**  trans-66.8125.9176.4-82.3-107.2000110.7E870H865-E870 IonicContact CE1-OE1 3.7Å; H865-E870 PolarHBondContact CE1-OE1 3.47Å; H865-E870 IonicContact ND1-OE1 3.74Å; H865-E870 PolarHBondContact ND1-OE1 3.37Å
866T44Very low34.9Very low89 Ų89132 Ų13255%0.54669%0.69SS.*  trans-109.8130.8156.142.70000107L868 R869T866-L868 PolarHBondContact O-N 3.35Å; T866-R869 PolarHBondContact O-N 3.32Å; T866-R869 VanDerWaalsContact O-N 3.1Å
867W36.8Very low35.4Very low168 Ų168134.6 Ų134.664%0.63669%0.689SS**Hα-helixtrans-52.2-18.9179.2104.9-21.9000113E871W867-E871 PolarHBondContact O-N 3.46Å; W867-E871 VanDerWaalsContact O-N 3.14Å
868L35.9Very low35.5Very low100 Ų100135 Ų13552%0.52468%0.683SS.*Hα-helixtrans-77.9-29.3-171.4-100.1138.5000110.9T866 F872T866-L868 PolarHBondContact O-N 3.35Å; L868-F872 WeakPolarHBondContact O-CB 3.34Å; L868-F872 WeakPolarHBondContact O-CD2 3.47Å; L868-F872 PolarHBondContact O-N 3.47Å; L868-F872 VanDerWaalsContact O-N 3.1Å
869R39Very low35.6Very low182 Ų182134.8 Ų134.869%0.68767%0.674SS**Hα-helixtrans-77.1-35.4175.9-134.5-179.9-165.3157.83.5111.7T866 F872 E873T866-R869 PolarHBondContact O-N 3.32Å; T866-R869 VanDerWaalsContact O-N 3.1Å; R869-F872 PolarHBondContact O-N 2.83Å; R869-E873 WeakPolarHBondContact O-CB 3.3Å; R869-E873 PolarHBondContact O-N 2.79Å
870E41.1Very low35.4Very low73 Ų73134.4 Ų134.434%0.34167%0.672SS.*Hα-helixtrans-68-34.6172.6-78.8-174.6-147.100112.6H865 K874H865-E870 IonicContact CE1-OE1 3.7Å; H865-E870 PolarHBondContact CE1-OE1 3.47Å; H865-E870 IonicContact ND1-OE1 3.74Å; H865-E870 PolarHBondContact ND1-OE1 3.37Å; E870-K874 WeakPolarHBondContact O-CB 3.24Å; E870-K874 WeakPolarHBondContact O-CD 3.44Å; E870-K874 WeakPolarHBondContact O-CG 3.38Å; E870-K874 PolarHBondContact O-N 3.01Å; E870-K874 IonicContact OE2-NZ 2.87Å; E870-K874 PolarHBondContact OE2-NZ 2.85Å
871E41.4Very low35.5Very low134 Ų134133.8 Ų133.863%0.62667%0.668SS**Hα-helixtrans-71.2-31.8172-79.3-71.4129.900112.6W867W867-E871 PolarHBondContact O-N 3.46Å; W867-E871 VanDerWaalsContact O-N 3.14Å
872F42.8Very low35.2Very low157 Ų157131.2 Ų131.269%0.68967%0.669SS**Hα-helixtrans-75.5-33.5174-100.9-83.4000113.4L868 R869L868-F872 WeakPolarHBondContact O-CB 3.34Å; L868-F872 WeakPolarHBondContact O-CD2 3.47Å; L868-F872 PolarHBondContact O-N 3.47Å; L868-F872 VanDerWaalsContact O-N 3.1Å; R869-F872 PolarHBondContact O-N 2.83Å
873E44.5Very low35.2Very low149 Ų149126.9 Ų126.970%0.69666%0.658SS**Hα-helixtrans-87.2-21.6178.7-76-177.9167.800113.7R869 A875R869-E873 WeakPolarHBondContact O-CB 3.3Å; R869-E873 PolarHBondContact O-N 2.79Å; E873-A875 VanDerWaalsContact C-N 3.34Å
874K40.6Very low35.2Very low138 Ų138130.4 Ų130.460%0.666%0.663SS**SBendtrans-86.3-2.7171.6-68.1171.3-168.2163.70113.5E870 E876E870-K874 WeakPolarHBondContact O-CB 3.24Å; E870-K874 WeakPolarHBondContact O-CD 3.44Å; E870-K874 WeakPolarHBondContact O-CG 3.38Å; E870-K874 PolarHBondContact O-N 3.01Å; E870-K874 IonicContact OE2-NZ 2.87Å; E870-K874 PolarHBondContact OE2-NZ 2.85Å; K874-E876 PolarHBondContact O-N 2.89Å; K874-E876 VanDerWaalsContact O-N 3.08Å
875A32.2Very low34.9Very low50 Ų50134.7 Ų134.741%0.41366%0.663SS.*SBendtrans-65109.3167.700000109.2E873 I877E873-A875 VanDerWaalsContact C-N 3.34Å; A875-I877 PolarHBondContact O-N 2.87Å; A875-I877 VanDerWaalsContact O-N 3.16Å
876E30.4Very low34.5Very low155 Ų155139.8 Ų139.872%0.72468%0.676SS**  trans-45.3116.1-173.6-106.3-178.4161.100113.4K874 I878K874-E876 PolarHBondContact O-N 2.89Å; K874-E876 VanDerWaalsContact O-N 3.08Å; E876-I878 HydrophobicContact CB-CG1 4.26Å; E876-I878 HydrophobicContact CG-CG1 4.41Å; E876-I878 PolarHBondContact O-N 3.12Å
877I32.9Very low33.8Very low155 Ų155141.2 Ų141.280%0.79568%0.684SS**  trans-85.194.5162.6-59172.6000106.3A875A875-I877 PolarHBondContact O-N 2.87Å; A875-I877 VanDerWaalsContact O-N 3.16Å
878I28.9Very low33.4Very low132 Ų132144.8 Ų144.868%0.67770%0.698SS**  trans-101115.5167.4-56.5176.4000107.7E876E876-I878 HydrophobicContact CB-CG1 4.26Å; E876-I878 HydrophobicContact CG-CG1 4.41Å; E876-I878 PolarHBondContact O-N 3.12Å
879P28.1Very low33.1Very low91 Ų91149.3 Ų149.359%0.59171%0.714SS**  trans-93.6165.5-174.638-32.9000111.4
880I25.5Very low32.8Very low153 Ų153147.1 Ų147.179%0.78572%0.715SS**  trans119122.8140.7-60.1173.6000117.7
881D31Very low32.6Very low140 Ų140149.5 Ų149.575%0.74973%0.73SS**  trans44.2113.3151.7-98.8-42.5000122.1S883D881-S883 PolarHBondContact O-N 2.77Å
882A26.9Very low32.5Very low101 Ų101146.3 Ų146.384%0.83572%0.723SS**  trans-7687.3149.100000110.2
883S33.3Very low32.3Very low83 Ų83143 Ų14358%0.5872%0.718SS**  trans-171.4128.8141.453.30000113.6D881D881-S883 PolarHBondContact O-N 2.77Å
884K32.1Very low32Very low195 Ų195143 Ų14385%0.84872%0.719SS**  trans69126.4145.4-67.5173-179.5172.70119.2
885R30.4Very low31.9Very low236 Ų236143 Ų14389%0.89172%0.718SS**  trans101.4112.1145.2-72.7172.7175.1-177.7-1.5118.2
886R26.1Very low32.3Very low254 Ų254146 Ų14696%0.95873%0.727SS**  trans-34.9123.1156.8-68.6172.1170.4172.9-4113.1
887V30.6Very low32.9Very low120 Ų120146.2 Ų146.273%0.72773%0.726SS**  trans-145.3132.9147.5-176.20000107.9F889V887-F889 HydrophobicContact CG1-CD2 4.04Å; V887-F889 HydrophobicContact CG1-CE2 3.99Å
888R27Very low33.5Very low242 Ų242144.5 Ų144.591%0.91372%0.717SS**  trans-67.2128.2173.1-74175.3174.4168.7-3.2109.4
889F30.4Very low34.1Very low196 Ų196144.5 Ų144.586%0.8672%0.715SS**  trans-138.3150160.2-95.9-82.7000110.7V887V887-F889 HydrophobicContact CG1-CD2 4.04Å; V887-F889 HydrophobicContact CG1-CE2 3.99Å
890D33.5Very low35.4Very low136 Ų136144.1 Ų144.173%0.72771%0.709SS**  trans-73.2131.5-155.9-145.5-30.5000113.8S892D890-S892 VanDerWaalsContact C-N 3.26Å; D890-S892 PolarHBondContact O-N 3.42Å; D890-S892 PolarHBondContact OD1-OG 3.06Å
891D36Very low36.9Very low122 Ų122139.6 Ų139.665%0.65269%0.694SS**THydrogen-bonded Turntrans-89.422.5-167.7-149.726.6000113.2
892S40.3Very low38.3Very low68 Ų68136.4 Ų136.448%0.47668%0.68SS.*THydrogen-bonded Turntrans-101-18.1-168.643.60000114.5D890 L896D890-S892 VanDerWaalsContact C-N 3.26Å; D890-S892 PolarHBondContact O-N 3.42Å; D890-S892 PolarHBondContact OD1-OG 3.06Å; S892-L896 WeakPolarHBondContact O-CD1 3.3Å
893C38.3Very low40.4Very low87 Ų87134.3 Ų134.359%0.58866%0.662SS**Hα-helixtrans-91.9-31.6-172.5-157.90000114.8
894E38.4Very low42.2Very low150 Ų150136.2 Ų136.270%0.70166%0.66SS**Hα-helixtrans-77.6-34.9179.6-85.8-172.9155.600113.5L896 K897 I898E894-L896 PolarHBondContact O-N 3.09Å; E894-K897 PolarHBondContact O-N 3.45Å; E894-I898 PolarHBondContact O-N 2.83Å
895K38.5Very low43.9Very low136 Ų136129.6 Ų129.659%0.59163%0.632SS**Hα-helixtrans-60.1-34.5172.4-83.4176.1178.8160.30112.1M899K895-M899 VanDerWaalsContact O-CB 3.29Å; K895-M899 WeakPolarHBondContact O-CB 3.34Å; K895-M899 WeakPolarHBondContact O-CG 3.22Å; K895-M899 PolarHBondContact O-N 3.31Å
896L39.3Very low46.1Very low115 Ų115122.4 Ų122.460%0.60261%0.612SS**Hα-helixtrans-66.3-38.6176.7-82160.7000112.3S892 E894 D900S892-L896 WeakPolarHBondContact O-CD1 3.3Å; E894-L896 PolarHBondContact O-N 3.09Å; L896-D900 WeakPolarHBondContact O-CB 3.49Å; L896-D900 PolarHBondContact O-N 2.85Å
897K43.5Very low48.6Very low159 Ų159113.8 Ų113.869%0.69159%0.59SS**Hα-helixtrans-70.2-39.7178.5-74.8-174.8178179.30113E894 D900 A901E894-K897 PolarHBondContact O-N 3.45Å; K897-D900 PolarHBondContact O-N 2.88Å; K897-A901 PolarHBondContact O-N 2.81Å; K897-A901 VanDerWaalsContact O-N 3.13Å
898I44.6Very low50.8Low118 Ų118109.3 Ų109.361%0.60556%0.562SS**Hα-helixtrans-70.7-39.7177.3-60.2172.2000110.5E894 D900 A901 T902E894-I898 PolarHBondContact O-N 2.83Å; I898-D900 VanDerWaalsContact C-N 3.33Å; I898-D900 PolarHBondContact O-N 3.01Å; I898-A901 PolarHBondContact O-N 3.44Å; I898-T902 PolarHBondContact O-N 2.76Å; I898-T902 PolarHBondContact O-OG1 2.71Å
899M43.1Very low53.2Low132 Ų132100.9 Ų100.965%0.6554%0.535SS*.Hα-helixtrans-63.4-38.1174.5-74.8178.96700112.2K895 T902 A903K895-M899 VanDerWaalsContact O-CB 3.29Å; K895-M899 WeakPolarHBondContact O-CB 3.34Å; K895-M899 WeakPolarHBondContact O-CG 3.22Å; K895-M899 PolarHBondContact O-N 3.31Å; M899-T902 PolarHBondContact O-N 3.31Å; M899-A903 VanDerWaalsContact O-CB 3.24Å; M899-A903 WeakPolarHBondContact O-CB 3.24Å; M899-A903 PolarHBondContact O-N 2.82Å
900D55.3Low55.7Low84 Ų84100.7 Ų100.745%0.44953%0.528SS..Hα-helixtrans-70.2-36.7179.5-160.945.7000112.5L896 K897 I898 K904L896-D900 WeakPolarHBondContact O-CB 3.49Å; L896-D900 PolarHBondContact O-N 2.85Å; K897-D900 PolarHBondContact O-N 2.88Å; I898-D900 VanDerWaalsContact C-N 3.33Å; I898-D900 PolarHBondContact O-N 3.01Å; D900-K904 WeakPolarHBondContact O-CB 3.35Å; D900-K904 WeakPolarHBondContact O-CG 3.2Å; D900-K904 PolarHBondContact O-N 3.46Å; D900-K904 IonicContact OD2-NZ 3.65Å; D900-K904 PolarHBondContact OD2-NZ 3.07Å
901A55.7Low58.2Low58 Ų5897.7 Ų97.748%0.47951%0.51SS..Hα-helixtrans-65.6-46.117300000111.9K897 I898 A903 K904 Q905K897-A901 PolarHBondContact O-N 2.81Å; K897-A901 VanDerWaalsContact O-N 3.13Å; I898-A901 PolarHBondContact O-N 3.44Å; A901-A903 VanDerWaalsContact C-N 3.35Å; A901-A903 PolarHBondContact O-N 3.24Å; A901-K904 PolarHBondContact O-N 3.2Å; A901-Q905 PolarHBondContact O-N 3.46Å
902T61Low60.3Low73 Ų7392.1 Ų92.145%0.44848%0.48SS..Hα-helixtrans-65.6-37.8178.5-34.40000111.7I898 M899 Q905 N906I898-T902 PolarHBondContact O-N 2.76Å; I898-T902 PolarHBondContact O-OG1 2.71Å; M899-T902 PolarHBondContact O-N 3.31Å; T902-Q905 PolarHBondContact O-N 3.42Å; T902-N906 PolarHBondContact O-N 2.76Å; T902-N906 PolarHBondContact O-ND2 3.14Å
903A70.2Confident62.4Low57 Ų5795.4 Ų95.447%0.47149%0.488SS..Hα-helixtrans-64.4-42.9175.200000111.8M899 A901 N906 S907M899-A903 VanDerWaalsContact O-CB 3.24Å; M899-A903 WeakPolarHBondContact O-CB 3.24Å; M899-A903 PolarHBondContact O-N 2.82Å; A901-A903 VanDerWaalsContact C-N 3.35Å; A901-A903 PolarHBondContact O-N 3.24Å; A903-N906 PolarHBondContact O-N 2.78Å; A903-S907 WeakPolarHBondContact O-CB 3.41Å; A903-S907 PolarHBondContact O-N 3.37Å
904K71.7Confident64.7Low123 Ų12395.3 Ų95.354%0.53548%0.482SS..Hα-helixtrans-61.6-42.6174.4-79.9168.4176.3148.60112.1D900 A901 S907 L908D900-K904 WeakPolarHBondContact O-CB 3.35Å; D900-K904 WeakPolarHBondContact O-CG 3.2Å; D900-K904 PolarHBondContact O-N 3.46Å; D900-K904 IonicContact OD2-NZ 3.65Å; D900-K904 PolarHBondContact OD2-NZ 3.07Å; A901-K904 PolarHBondContact O-N 3.2Å; K904-S907 WeakPolarHBondContact O-CB 3.48Å; K904-S907 PolarHBondContact O-N 3.04Å; K904-L908 WeakPolarHBondContact O-CB 3.39Å; K904-L908 PolarHBondContact O-N 3.07Å
905Q68.2Low66.8Low55 Ų5588.8 Ų88.826%0.25745%0.451SS..Hα-helixtrans-65.1-42.4178.2-169.7153.6-4300112.5A901 T902 L908 L909A901-Q905 PolarHBondContact O-N 3.46Å; T902-Q905 PolarHBondContact O-N 3.42Å; Q905-L908 PolarHBondContact O-N 3.33Å; Q905-L909 HydrophobicContact CG-CD1 4.44Å; Q905-L909 PolarHBondContact O-N 2.85Å
906N75.3Confident68.9Low86 Ų8687.6 Ų87.646%0.4645%0.446SS..Hα-helixtrans-67.8-36.7175.8-74.5-29.9000112.5T902 A903 R910T902-N906 PolarHBondContact O-N 2.76Å; T902-N906 PolarHBondContact O-ND2 3.14Å; A903-N906 PolarHBondContact O-N 2.78Å; N906-R910 WeakPolarHBondContact O-CG 3.48Å; N906-R910 PolarHBondContact O-N 3.03Å; N906-R910 VanDerWaalsContact O-N 3.16Å
907S78.8Confident71Confident73 Ų7385 Ų8551%0.5144%0.437SS..Hα-helixtrans-61.7-46.4172.6-175.40000111.2A903 K904 L909 R910 E911A903-S907 WeakPolarHBondContact O-CB 3.41Å; A903-S907 PolarHBondContact O-N 3.37Å; K904-S907 WeakPolarHBondContact O-CB 3.48Å; K904-S907 PolarHBondContact O-N 3.04Å; S907-L909 PolarHBondContact O-N 2.81Å; S907-R910 PolarHBondContact O-N 2.88Å; S907-E911 PolarHBondContact O-N 3.23Å
908L78.1Confident72.8Confident25 Ų2581.9 Ų81.913%0.13142%0.424CS..Hα-helixtrans-64.6-40.5-179.6-15395.6000111.8K904 Q905 E911 I912 L943 K946 Q947 L950K904-L908 WeakPolarHBondContact O-CB 3.39Å; K904-L908 PolarHBondContact O-N 3.07Å; Q905-L908 PolarHBondContact O-N 3.33Å; L908-E911 PolarHBondContact O-N 2.96Å; L908-I912 HydrophobicContact CD2-CD1 4.3Å; L908-I912 WeakPolarHBondContact O-CG1 3.43Å; L908-I912 PolarHBondContact O-N 2.82Å; L908-L943 HydrophobicContact CD1-CD2 3.79Å; L908-L943 HydrophobicContact CG-CD2 4.21Å; L908-K946 HydrophobicContact CD1-CB 4.3Å; L908-K946 HydrophobicContact CD1-CD 4.37Å; L908-K946 HydrophobicContact CD2-CB 4.04Å; L908-Q947 HydrophobicContact CD2-CB 3.93Å; L908-L950 HydrophobicContact CD2-CD1 4.33Å
909L76.7Confident74.5Confident65 Ų6577.4 Ų77.434%0.3440%0.401SS..Hα-helixtrans-60.7-43.4175.4-87.6159.7000112.2Q905 S907 I912 E913Q905-L909 HydrophobicContact CG-CD1 4.44Å; Q905-L909 PolarHBondContact O-N 2.85Å; S907-L909 PolarHBondContact O-N 2.81Å; L909-I912 PolarHBondContact O-N 2.99Å; L909-E913 PolarHBondContact O-N 2.98Å
910R83.8Confident76.2Confident192 Ų19278.8 Ų78.873%0.72540%0.404SS*.Hα-helixtrans-64.5-40.3175.4-73.2-177.9-168.4167.84.2112N906 S907 I912 E913 D914N906-R910 WeakPolarHBondContact O-CG 3.48Å; N906-R910 PolarHBondContact O-N 3.03Å; N906-R910 VanDerWaalsContact O-N 3.16Å; S907-R910 PolarHBondContact O-N 2.88Å; R910-I912 VanDerWaalsContact C-N 3.34Å; R910-E913 PolarHBondContact O-N 3.09Å; R910-D914 WeakPolarHBondContact O-CB 3.45Å; R910-D914 PolarHBondContact O-N 3.27Å
911E86Confident77.2Confident73 Ų7380.9 Ų80.934%0.34141%0.411SS..Hα-helixtrans-64.9-39.5178.2-160.9178.1177.900111.5S907 L908 D914 L915 L943S907-E911 PolarHBondContact O-N 3.23Å; L908-E911 PolarHBondContact O-N 2.96Å; E911-D914 PolarHBondContact O-N 3.36Å; E911-L915 HydrophobicContact CG-CD1 4.4Å; E911-L915 WeakPolarHBondContact O-CB 3.38Å; E911-L915 PolarHBondContact O-N 2.81Å; E911-L943 HydrophobicContact CB-CD1 4.07Å; E911-L943 HydrophobicContact CG-CD1 3.7Å
912I79.8Confident77.7Confident6 Ų680.5 Ų80.53%0.03140%0.399CS..Hα-helixtrans-64.3-42.5173.7-69.6169.3000111.3L908 L909 R910 K916 L940 L943 Q947L908-I912 HydrophobicContact CD2-CD1 4.3Å; L908-I912 WeakPolarHBondContact O-CG1 3.43Å; L908-I912 PolarHBondContact O-N 2.82Å; L909-I912 PolarHBondContact O-N 2.99Å; R910-I912 VanDerWaalsContact C-N 3.34Å; I912-K916 HydrophobicContact CG2-CD 4.23Å; I912-K916 WeakPolarHBondContact O-CB 3.08Å; I912-K916 VanDerWaalsContact O-CG 3.29Å; I912-K916 WeakPolarHBondContact O-CG 3.31Å; I912-K916 PolarHBondContact O-N 3.27Å; I912-L940 HydrophobicContact CG2-CD1 4.09Å; I912-L943 HydrophobicContact CD1-CB 4.12Å; I912-L943 HydrophobicContact CG1-CB 3.67Å; I912-L943 HydrophobicContact CG1-CD1 4.11Å; I912-Q947 HydrophobicContact CD1-CB 4.23Å
913E83.3Confident77.8Confident137 Ų13782.9 Ų82.964%0.6441%0.409SS*.Hα-helixtrans-66.6-41.1177.2-77-171.8162.100112.4L909 R910 K916 S917L909-E913 PolarHBondContact O-N 2.98Å; R910-E913 PolarHBondContact O-N 3.09Å; E913-K916 PolarHBondContact O-N 3.16Å; E913-S917 PolarHBondContact O-N 3.21Å
914D86.7Confident77.4Confident85 Ų8585.7 Ų85.746%0.45542%0.42SS..Hα-helixtrans-65.5-42.1177.8-165.656.6000111.7R910 E911 S917 K918R910-D914 WeakPolarHBondContact O-CB 3.45Å; R910-D914 PolarHBondContact O-N 3.27Å; E911-D914 PolarHBondContact O-N 3.36Å; D914-S917 WeakPolarHBondContact O-CB 3.4Å; D914-S917 PolarHBondContact O-N 2.84Å; D914-K918 PolarHBondContact O-N 2.78Å; D914-K918 IonicContact OD2-NZ 2.73Å; D914-K918 PolarHBondContact OD2-NZ 3.34Å
915L84Confident76.7Confident12 Ų1284.4 Ų84.46%0.06342%0.423CS..Hα-helixtrans-63.5-42.2174-92.9155.6000112.4E911 S917 K918 I919 L936 K939 L943E911-L915 HydrophobicContact CG-CD1 4.4Å; E911-L915 WeakPolarHBondContact O-CB 3.38Å; E911-L915 PolarHBondContact O-N 2.81Å; L915-S917 VanDerWaalsContact C-N 3.27Å; L915-S917 PolarHBondContact O-N 3.46Å; L915-K918 PolarHBondContact O-N 2.83Å; L915-I919 WeakPolarHBondContact O-CG1 3.5Å; L915-I919 PolarHBondContact O-N 2.85Å; L915-L936 HydrophobicContact CD2-CB 4.42Å; L915-L936 HydrophobicContact CD2-CD2 3.47Å; L915-L936 VanDerWaalsContact CD2-CD2 3.47Å; L915-K939 HydrophobicContact CD1-CB 4.41Å; L915-K939 HydrophobicContact CD1-CD 4.4Å; L915-K939 HydrophobicContact CD1-CG 4Å; L915-K939 HydrophobicContact CD2-CB 4.47Å; L915-L943 HydrophobicContact CD1-CD1 3.34Å
916K80.8Confident75.9Confident111 Ų11191.7 Ų91.748%0.48345%0.454SS..Hα-helixtrans-61.1-37.5173.9-78.1177.5177.7-176.20111.9I912 E913 K920 L940I912-K916 HydrophobicContact CG2-CD 4.23Å; I912-K916 WeakPolarHBondContact O-CB 3.08Å; I912-K916 VanDerWaalsContact O-CG 3.29Å; I912-K916 WeakPolarHBondContact O-CG 3.31Å; I912-K916 PolarHBondContact O-N 3.27Å; E913-K916 PolarHBondContact O-N 3.16Å; K916-K920 WeakPolarHBondContact O-CB 3.36Å; K916-K920 PolarHBondContact O-N 3.26Å; K916-K920 VanDerWaalsContact O-N 3.14Å; K916-L940 HydrophobicContact CG-CD1 4.2Å; K916-L940 HydrophobicContact CG-CD2 4.49Å
917S83.7Confident74.7Confident60 Ų6096.7 Ų96.742%0.4248%0.475SS..Hα-helixtrans-65.8-45.6175.1-1630000111.7E913 D914 L915 I919 K920 E921E913-S917 PolarHBondContact O-N 3.21Å; D914-S917 WeakPolarHBondContact O-CB 3.4Å; D914-S917 PolarHBondContact O-N 2.84Å; L915-S917 VanDerWaalsContact C-N 3.27Å; L915-S917 PolarHBondContact O-N 3.46Å; S917-I919 PolarHBondContact O-N 3.3Å; S917-K920 WeakPolarHBondContact O-CB 3.3Å; S917-K920 PolarHBondContact O-N 3.37Å; S917-E921 PolarHBondContact O-N 3.23Å
918K81.6Confident73.4Confident94 Ų9495.6 Ų95.641%0.40948%0.475SS..Hα-helixtrans-62.1-41.8177.6-78.4169.4175.5149.60113.3D914 L915 K920 E921 Q922D914-K918 PolarHBondContact O-N 2.78Å; D914-K918 IonicContact OD2-NZ 2.73Å; D914-K918 PolarHBondContact OD2-NZ 3.34Å; L915-K918 PolarHBondContact O-N 2.83Å; K918-K920 VanDerWaalsContact C-N 3.3Å; K918-K920 PolarHBondContact O-N 2.89Å; K918-E921 PolarHBondContact O-N 3.08Å; K918-Q922 PolarHBondContact O-N 2.94Å
919I80.1Confident72.7Confident25 Ų2599.6 Ų99.613%0.12849%0.493CS..Hα-helixtrans-61.5-43.3175.1-70167.1000109.9L915 S917 E921 Q922 D923 M933 L936 L940L915-I919 WeakPolarHBondContact O-CG1 3.5Å; L915-I919 PolarHBondContact O-N 2.85Å; S917-I919 PolarHBondContact O-N 3.3Å; I919-E921 VanDerWaalsContact C-N 3.32Å; I919-E921 PolarHBondContact O-N 3.43Å; I919-Q922 PolarHBondContact O-N 2.82Å; I919-D923 PolarHBondContact O-N 3.04Å; I919-D923 VanDerWaalsContact O-N 3.09Å; I919-M933 HydrophobicContact CG2-CE 4.22Å; I919-M933 HydrophobicContact CG2-SD 4.17Å; I919-L936 HydrophobicContact CD1-CB 4.33Å; I919-L936 HydrophobicContact CG1-CB 3.92Å; I919-L936 HydrophobicContact CG1-CD1 4.45Å; I919-L940 HydrophobicContact CD1-CB 4.32Å; I919-L940 HydrophobicContact CD1-CD2 3.86Å
920K79.1Confident72.1Confident161 Ų161107.4 Ų107.470%0.752%0.518SS*.Hα-helixtrans-65.6-32.1178.3-164.8179.7-178.9-174.50113.2K916 S917 K918K916-K920 WeakPolarHBondContact O-CB 3.36Å; K916-K920 PolarHBondContact O-N 3.26Å; K916-K920 VanDerWaalsContact O-N 3.14Å; S917-K920 WeakPolarHBondContact O-CB 3.3Å; S917-K920 PolarHBondContact O-N 3.37Å; K918-K920 VanDerWaalsContact C-N 3.3Å; K918-K920 PolarHBondContact O-N 2.89Å
921E75.6Confident71.5Confident128 Ų128104.6 Ų104.660%0.59852%0.517SS*.Hα-helixtrans-72.2-43.4173.8-75.717817900111.9S917 K918 I919 D923 T924S917-E921 PolarHBondContact O-N 3.23Å; K918-E921 PolarHBondContact O-N 3.08Å; I919-E921 VanDerWaalsContact C-N 3.32Å; I919-E921 PolarHBondContact O-N 3.43Å; E921-D923 VanDerWaalsContact C-N 3.32Å; E921-D923 PolarHBondContact O-N 2.71Å; E921-T924 PolarHBondContact O-N 3.35Å; E921-T924 PolarHBondContact O-OG1 2.85Å
922Q67.8Low70.9Confident49 Ų49105 Ų10523%0.22952%0.519CS..Hα-helixtrans-68-29.1-179.7-73.4-145.7-29.900113.7K918 I919 T924 T925 M933 L936K918-Q922 PolarHBondContact O-N 2.94Å; I919-Q922 PolarHBondContact O-N 2.82Å; Q922-T924 PolarHBondContact O-N 3.13Å; Q922-T925 PolarHBondContact O-N 2.7Å; Q922-T925 VanDerWaalsContact O-N 3.12Å; Q922-T925 PolarHBondContact O-OG1 3.02Å; Q922-M933 HydrophobicContact CB-CG 4.36Å; Q922-M933 HydrophobicContact CB-SD 4.18Å; Q922-L936 HydrophobicContact CG-CD1 4.42Å
923D62.2Low70.7Confident123 Ų123106.5 Ų106.566%0.65853%0.527SS*.THydrogen-bonded Turntrans-59.2-16.7175.1-113.1-4.3000113.3I919 E921I919-D923 PolarHBondContact O-N 3.04Å; I919-D923 VanDerWaalsContact O-N 3.09Å; E921-D923 VanDerWaalsContact C-N 3.32Å; E921-D923 PolarHBondContact O-N 2.71Å
924T62.5Low70.5Confident116 Ų116103.3 Ų103.371%0.71252%0.519SS*.THydrogen-bonded Turntrans-93.7-7.9-179.965.60000114.7E921 Q922E921-T924 PolarHBondContact O-N 3.35Å; E921-T924 PolarHBondContact O-OG1 2.85Å; Q922-T924 PolarHBondContact O-N 3.13Å
925T57.2Low70.2Confident97 Ų97104.7 Ų104.760%0.59553%0.526SS*.  trans-102.7108.1-179.139.40000111.9Q922 E927Q922-T925 PolarHBondContact O-N 2.7Å; Q922-T925 VanDerWaalsContact O-N 3.12Å; Q922-T925 PolarHBondContact O-OG1 3.02Å; T925-E927 VanDerWaalsContact C-N 3.34Å; T925-E927 PolarHBondContact O-N 2.93Å; T925-E927 VanDerWaalsContact O-N 3.13Å
926F50.7Low70.1Confident208 Ų208105.7 Ų105.791%0.91253%0.532SS*.THydrogen-bonded Turntrans-74.63.8-162.2-148.2-99.4000117
927E50.8Low70.2Confident190 Ų190105.4 Ų105.489%0.88853%0.532SS*.THydrogen-bonded Turntrans-155.817.8-166.4-136.3158.5-161.600119.1T925T925-E927 VanDerWaalsContact C-N 3.34Å; T925-E927 PolarHBondContact O-N 2.93Å; T925-E927 VanDerWaalsContact O-N 3.13Å
928G51.4Low70.3Confident51 Ų51106 Ų10653%0.52654%0.537SS..SBendtrans-120.8-46.4-164.500000119.5
929H62.4Low70.6Confident108 Ų108106.3 Ų106.350%0.554%0.538SS..  trans-144.457.1-152.7-69.9-95.2000114.8N931 Q932 M933H929-N931 PolarHBondContact O-N 3.45Å; H929-Q932 HydrophobicContact CB-CB 3.84Å; H929-Q932 HydrophobicContact CB-CG 3.89Å; H929-Q932 PolarHBondContact ND1-NE2 3.05Å; H929-Q932 PolarHBondContact ND1-OE1 2.88Å; H929-Q932 PolarHBondContact O-N 2.73Å; H929-M933 PolarHBondContact O-N 2.79Å
930R64.7Low70.7Confident230 Ų230106.4 Ų106.487%0.86854%0.538SS*.Hα-helixtrans-53.4-36.3173.5-154.3176.7-170.3158.82.2112.8S934R930-S934 PolarHBondContact O-N 2.83Å
931N71Confident70.9Confident133 Ų133105.4 Ų105.471%0.71154%0.536SS*.Hα-helixtrans-70.2-39.9175.6-69.2-4.9000112.6H929 S934 D935H929-N931 PolarHBondContact O-N 3.45Å; N931-S934 WeakPolarHBondContact O-CB 3.23Å; N931-S934 PolarHBondContact O-N 2.85Å; N931-D935 PolarHBondContact O-N 3.15Å
932Q73.6Confident71.4Confident81 Ų81103.9 Ų103.938%0.37953%0.529SS..Hα-helixtrans-70.3-37.1178.7-62.9-178.6-27.500111.9H929 S934 D935 L936H929-Q932 HydrophobicContact CB-CB 3.84Å; H929-Q932 HydrophobicContact CB-CG 3.89Å; H929-Q932 PolarHBondContact ND1-NE2 3.05Å; H929-Q932 PolarHBondContact ND1-OE1 2.88Å; H929-Q932 PolarHBondContact O-N 2.73Å; Q932-S934 VanDerWaalsContact C-N 3.32Å; Q932-S934 PolarHBondContact O-N 3.47Å; Q932-D935 PolarHBondContact O-N 3.16Å; Q932-L936 WeakPolarHBondContact O-CB 3.3Å; Q932-L936 VanDerWaalsContact O-CG 3.26Å; Q932-L936 WeakPolarHBondContact O-CG 3.19Å; Q932-L936 PolarHBondContact O-N 3.04Å
933M75.9Confident72Confident38 Ų38101.8 Ų101.819%0.18752%0.52CS..Hα-helixtrans-60.2-43.6173.1-93.9-69.2-73.700111.2I919 Q922 H929 D935 L936 E937I919-M933 HydrophobicContact CG2-CE 4.22Å; I919-M933 HydrophobicContact CG2-SD 4.17Å; Q922-M933 HydrophobicContact CB-CG 4.36Å; Q922-M933 HydrophobicContact CB-SD 4.18Å; H929-M933 PolarHBondContact O-N 2.79Å; M933-D935 PolarHBondContact O-N 3.22Å; M933-L936 PolarHBondContact O-N 2.99Å; M933-E937 WeakPolarHBondContact O-CB 3.5Å; M933-E937 WeakPolarHBondContact O-CG 3.42Å; M933-E937 PolarHBondContact O-N 3.43Å
934S78Confident72.7Confident69 Ų69100 Ų10048%0.48351%0.507SS..Hα-helixtrans-60.7-42.4174.7-172.80000112.5R930 N931 Q932 S938R930-S934 PolarHBondContact O-N 2.83Å; N931-S934 WeakPolarHBondContact O-CB 3.23Å; N931-S934 PolarHBondContact O-N 2.85Å; Q932-S934 VanDerWaalsContact C-N 3.32Å; Q932-S934 PolarHBondContact O-N 3.47Å; S934-S938 WeakPolarHBondContact O-CB 3.42Å; S934-S938 PolarHBondContact O-N 2.91Å
935D82Confident73.5Confident114 Ų11497 Ų9761%0.6149%0.494SS*.Hα-helixtrans-66.1-39.8177.8-71.1-19.4000111.8N931 Q932 M933 K939N931-D935 PolarHBondContact O-N 3.15Å; Q932-D935 PolarHBondContact O-N 3.16Å; M933-D935 PolarHBondContact O-N 3.22Å; D935-K939 WeakPolarHBondContact O-CB 3.38Å; D935-K939 PolarHBondContact O-N 3.21Å
936L81.6Confident74.5Confident34 Ų3497.1 Ų97.118%0.17849%0.487CS..Hα-helixtrans-67.3-42.5177.5-71.6169.1000111.9L915 I919 Q922 Q932 M933 K939 L940L915-L936 HydrophobicContact CD2-CB 4.42Å; L915-L936 HydrophobicContact CD2-CD2 3.47Å; L915-L936 VanDerWaalsContact CD2-CD2 3.47Å; I919-L936 HydrophobicContact CD1-CB 4.33Å; I919-L936 HydrophobicContact CG1-CB 3.92Å; I919-L936 HydrophobicContact CG1-CD1 4.45Å; Q922-L936 HydrophobicContact CG-CD1 4.42Å; Q932-L936 WeakPolarHBondContact O-CB 3.3Å; Q932-L936 VanDerWaalsContact O-CG 3.26Å; Q932-L936 WeakPolarHBondContact O-CG 3.19Å; Q932-L936 PolarHBondContact O-N 3.04Å; M933-L936 PolarHBondContact O-N 2.99Å; L936-K939 PolarHBondContact O-N 2.74Å; L936-L940 PolarHBondContact O-N 2.96Å
937E82.1Confident75.6Confident105 Ų10589.6 Ų89.649%0.49145%0.454SS..Hα-helixtrans-64.6-42.2176.4-75179.4165.200111.8M933 K939 L940 Q941M933-E937 WeakPolarHBondContact O-CB 3.5Å; M933-E937 WeakPolarHBondContact O-CG 3.42Å; M933-E937 PolarHBondContact O-N 3.43Å; E937-K939 VanDerWaalsContact C-N 3.33Å; E937-K939 PolarHBondContact O-N 3.5Å; E937-L940 PolarHBondContact O-N 3.18Å; E937-Q941 PolarHBondContact O-N 2.88Å
938S86.8Confident76.4Confident73 Ų7383.5 Ų83.551%0.5143%0.433SS..Hα-helixtrans-59.7-44.2174.7-175.30000111.5S934 L940 Q941 E942S934-S938 WeakPolarHBondContact O-CB 3.42Å; S934-S938 PolarHBondContact O-N 2.91Å; S938-L940 PolarHBondContact O-N 2.69Å; S938-Q941 PolarHBondContact O-N 2.76Å; S938-E942 PolarHBondContact O-N 3.44Å
939K87.1Confident77.3Confident99 Ų9988.1 Ų88.143%0.4344%0.439SS..Hα-helixtrans-67.8-34.4178.1-161.8160.9-1761740112.8L915 D935 L936 E937 E942 L943L915-K939 HydrophobicContact CD1-CB 4.41Å; L915-K939 HydrophobicContact CD1-CD 4.4Å; L915-K939 HydrophobicContact CD1-CG 4Å; L915-K939 HydrophobicContact CD2-CB 4.47Å; D935-K939 WeakPolarHBondContact O-CB 3.38Å; D935-K939 PolarHBondContact O-N 3.21Å; L936-K939 PolarHBondContact O-N 2.74Å; E937-K939 VanDerWaalsContact C-N 3.33Å; E937-K939 PolarHBondContact O-N 3.5Å; K939-E942 PolarHBondContact O-N 3.36Å; K939-L943 WeakPolarHBondContact O-CG 3.19Å; K939-L943 PolarHBondContact O-N 3.17Å
940L82.1Confident77.4Confident27 Ų2785.7 Ų85.714%0.14143%0.429CS..Hα-helixtrans-65.4-41.8173.8-175.965000111.6I912 K916 I919 L936 E937 S938 L943 Q944I912-L940 HydrophobicContact CG2-CD1 4.09Å; K916-L940 HydrophobicContact CG-CD1 4.2Å; K916-L940 HydrophobicContact CG-CD2 4.49Å; I919-L940 HydrophobicContact CD1-CB 4.32Å; I919-L940 HydrophobicContact CD1-CD2 3.86Å; L936-L940 PolarHBondContact O-N 2.96Å; E937-L940 PolarHBondContact O-N 3.18Å; S938-L940 PolarHBondContact O-N 2.69Å; L940-L943 PolarHBondContact O-N 2.84Å; L940-Q944 WeakPolarHBondContact O-CB 3.31Å; L940-Q944 VanDerWaalsContact O-CG 3.28Å; L940-Q944 WeakPolarHBondContact O-CG 3.35Å; L940-Q944 PolarHBondContact O-N 3Å
941Q82.5Confident77.1Confident140 Ų14082.9 Ų82.965%0.65442%0.418SS*.Hα-helixtrans-62.2-43.2174-81.6-175.3-1400111.9E937 S938 L943 Q944 A945E937-Q941 PolarHBondContact O-N 2.88Å; S938-Q941 PolarHBondContact O-N 2.76Å; Q941-L943 PolarHBondContact O-N 2.82Å; Q941-Q944 PolarHBondContact O-N 3.2Å; Q941-A945 WeakPolarHBondContact O-CB 3.21Å; Q941-A945 PolarHBondContact O-N 2.91Å
942E87.2Confident76.3Confident97 Ų9784.1 Ų84.145%0.45342%0.418SS..Hα-helixtrans-59.5-45.6177.4-164.7-158.3144.400111.7S938 K939 A945 K946S938-E942 PolarHBondContact O-N 3.44Å; K939-E942 PolarHBondContact O-N 3.36Å; E942-A945 PolarHBondContact O-N 3.02Å; E942-K946 PolarHBondContact O-N 2.99Å; E942-K946 IonicContact OE1-NZ 2.71Å; E942-K946 PolarHBondContact OE1-NZ 3.25Å
943L80.5Confident74.9Confident5 Ų583.6 Ų83.63%0.02642%0.423CS..Hα-helixtrans-69.9-36.6179-69177.2000112.7L908 E911 I912 L915 K939 L940 Q941 A945 K946 Q947L908-L943 HydrophobicContact CD1-CD2 3.79Å; L908-L943 HydrophobicContact CG-CD2 4.21Å; E911-L943 HydrophobicContact CB-CD1 4.07Å; E911-L943 HydrophobicContact CG-CD1 3.7Å; I912-L943 HydrophobicContact CD1-CB 4.12Å; I912-L943 HydrophobicContact CG1-CB 3.67Å; I912-L943 HydrophobicContact CG1-CD1 4.11Å; L915-L943 HydrophobicContact CD1-CD1 3.34Å; K939-L943 WeakPolarHBondContact O-CG 3.19Å; K939-L943 PolarHBondContact O-N 3.17Å; L940-L943 PolarHBondContact O-N 2.84Å; Q941-L943 PolarHBondContact O-N 2.82Å; L943-A945 VanDerWaalsContact C-N 3.34Å; L943-K946 HydrophobicContact CD2-CD 4.5Å; L943-K946 PolarHBondContact O-N 3.12Å; L943-Q947 WeakPolarHBondContact O-CB 3.44Å; L943-Q947 PolarHBondContact O-N 3.16Å
944Q77.1Confident73Confident84 Ų8487.4 Ų87.439%0.39344%0.44SS..Hα-helixtrans-65-38.6173.3-75.3178.4-9.100111.7L940 Q941 Q947 S948L940-Q944 WeakPolarHBondContact O-CB 3.31Å; L940-Q944 VanDerWaalsContact O-CG 3.28Å; L940-Q944 WeakPolarHBondContact O-CG 3.35Å; L940-Q944 PolarHBondContact O-N 3Å; Q941-Q944 PolarHBondContact O-N 3.2Å; Q944-Q947 PolarHBondContact O-N 2.82Å; Q944-S948 WeakPolarHBondContact O-CB 3.45Å; Q944-S948 PolarHBondContact O-N 2.81Å
945A79.4Confident71Confident54 Ų5489.3 Ų89.345%0.44645%0.451SS..Hα-helixtrans-62.8-45.317300000111.4Q941 E942 L943 Q947 S948 F949Q941-A945 WeakPolarHBondContact O-CB 3.21Å; Q941-A945 PolarHBondContact O-N 2.91Å; E942-A945 PolarHBondContact O-N 3.02Å; L943-A945 VanDerWaalsContact C-N 3.34Å; A945-Q947 VanDerWaalsContact C-N 3.34Å; A945-Q947 PolarHBondContact O-N 2.81Å; A945-S948 PolarHBondContact O-N 3.12Å; A945-S948 PolarHBondContact O-OG 3.36Å; A945-F949 PolarHBondContact O-N 3.05Å
946K78.2Confident68.7Low99 Ų9988.7 Ų88.743%0.4345%0.453SS..Hα-helixtrans-59.4-41.2172.8-84170.6174158.40112.6L908 E942 L943 S948 F949 L950L908-K946 HydrophobicContact CD1-CB 4.3Å; L908-K946 HydrophobicContact CD1-CD 4.37Å; L908-K946 HydrophobicContact CD2-CB 4.04Å; E942-K946 PolarHBondContact O-N 2.99Å; E942-K946 IonicContact OE1-NZ 2.71Å; E942-K946 PolarHBondContact OE1-NZ 3.25Å; L943-K946 HydrophobicContact CD2-CD 4.5Å; L943-K946 PolarHBondContact O-N 3.12Å; K946-S948 VanDerWaalsContact C-N 3.34Å; K946-S948 PolarHBondContact O-N 2.77Å; K946-F949 PolarHBondContact O-N 3.42Å; K946-L950 WeakPolarHBondContact O-CG 3.4Å; K946-L950 PolarHBondContact O-N 3.1Å
947Q72.5Confident66.7Low51 Ų5190.7 Ų90.724%0.23847%0.468CS..Hα-helixtrans-64.1-39.8175.9-169.8-178.819.800111.7L908 I912 L943 Q944 A945 R951L908-Q947 HydrophobicContact CD2-CB 3.93Å; I912-Q947 HydrophobicContact CD1-CB 4.23Å; L943-Q947 WeakPolarHBondContact O-CB 3.44Å; L943-Q947 PolarHBondContact O-N 3.16Å; Q944-Q947 PolarHBondContact O-N 2.82Å; A945-Q947 VanDerWaalsContact C-N 3.34Å; A945-Q947 PolarHBondContact O-N 2.81Å; Q947-R951 PolarHBondContact O-N 3.39Å; Q947-R951 VanDerWaalsContact O-N 3.14Å
948S68Low64.4Low62 Ų6290.8 Ų90.843%0.43449%0.487SS..Hα-helixtrans-66.4-37.9177.181.40000112.1Q944 A945 K946 K952Q944-S948 WeakPolarHBondContact O-CB 3.45Å; Q944-S948 PolarHBondContact O-N 2.81Å; A945-S948 PolarHBondContact O-N 3.12Å; A945-S948 PolarHBondContact O-OG 3.36Å; K946-S948 VanDerWaalsContact C-N 3.34Å; K946-S948 PolarHBondContact O-N 2.77Å; S948-K952 WeakPolarHBondContact O-CG 3.23Å; S948-K952 PolarHBondContact O-N 3.38Å
949F71.2Confident61.7Low148 Ų14892 Ų9265%0.64948%0.481SS*.Hα-helixtrans-66.6-47.2176.5-175.2-96.4000111.3A945 K946 R951 K952 S953A945-F949 PolarHBondContact O-N 3.05Å; K946-F949 PolarHBondContact O-N 3.42Å; F949-R951 VanDerWaalsContact C-N 3.28Å; F949-R951 PolarHBondContact O-N 3.41Å; F949-K952 PolarHBondContact O-N 2.97Å; F949-K952 VanDerWaalsContact O-N 3.09Å; F949-S953 PolarHBondContact O-N 3.18Å; F949-S953 PolarHBondContact O-OG 3.39Å
950L63.6Low59.2Low57 Ų5790.5 Ų90.530%0.29848%0.477SS..Hα-helixtrans-61.7-34.7178.2-74.8168.1000112.8L908 K946 S953L908-L950 HydrophobicContact CD2-CD1 4.33Å; K946-L950 WeakPolarHBondContact O-CG 3.4Å; K946-L950 PolarHBondContact O-N 3.1Å; L950-S953 WeakPolarHBondContact CA-OG 3.28Å; L950-S953 PolarHBondContact O-N 2.97Å; L950-S953 PolarHBondContact O-OG 3.15Å
951R57.7Low56.8Low171 Ų17198.3 Ų98.365%0.64551%0.505SS*.Hα-helixtrans-69.9-31.7174.1-83.9-172.2173.3179.81.6114Q947 F949 S953Q947-R951 PolarHBondContact O-N 3.39Å; Q947-R951 VanDerWaalsContact O-N 3.14Å; F949-R951 VanDerWaalsContact C-N 3.28Å; F949-R951 PolarHBondContact O-N 3.41Å; R951-S953 VanDerWaalsContact C-N 3.25Å
952K54.8Low54.4Low159 Ų159102.2 Ų102.269%0.69151%0.514SS*.Hα-helixtrans-71.7-24.3175.4-74.4-178.7178.9-176.10112.1S948 F949S948-K952 WeakPolarHBondContact O-CG 3.23Å; S948-K952 PolarHBondContact O-N 3.38Å; F949-K952 PolarHBondContact O-N 2.97Å; F949-K952 VanDerWaalsContact O-N 3.09Å
953S45.4Very low51.8Low70 Ų70104.3 Ų104.349%0.4953%0.528SS..THydrogen-bonded Turntrans-88.4-1.8178.752.50000115.2F949 L950 R951 P955F949-S953 PolarHBondContact O-N 3.18Å; F949-S953 PolarHBondContact O-OG 3.39Å; L950-S953 WeakPolarHBondContact CA-OG 3.28Å; L950-S953 PolarHBondContact O-N 2.97Å; L950-S953 PolarHBondContact O-OG 3.15Å; R951-S953 VanDerWaalsContact C-N 3.25Å; S953-P955 VanDerWaalsContact O-CD 3.3Å; S953-P955 WeakPolarHBondContact O-CD 3.24Å
954E35.6Very low49.4Very low118 Ų118106.2 Ų106.255%0.55154%0.54SS*.PPolyproline II helixtrans-77.7116.1173.8-85.9-178.2170.200109.8
955P35.8Very low47.2Very low108 Ų108105.3 Ų105.370%0.70154%0.54SS*.PPolyproline II helixtrans-66.2149.5171.6-6.722.7000109.1S953S953-P955 VanDerWaalsContact O-CD 3.3Å; S953-P955 WeakPolarHBondContact O-CD 3.24Å
956P34.2Very low45Very low102 Ų102111.8 Ų111.866%0.66256%0.555SS**PPolyproline II helixtrans-53.8146164.4-1426000109.4A958P956-A958 PolarHBondContact O-N 2.77Å
957P39.2Very low42.9Very low76 Ų76109.8 Ų109.849%0.49455%0.548SS..SBendtrans-51.1131.2174.420-30000110.1Y959P957-Y959 PolarHBondContact O-N 3.19Å
958A33.4Very low41.3Very low107 Ų107114 Ų11488%0.88457%0.566SS**  trans-42107.4-164.800000114.2P956P956-A958 PolarHBondContact O-N 2.77Å
959Y30.1Very low40.1Very low97 Ų97112.6 Ų112.638%0.3855%0.553SS.*  trans-78124.8164.7-111.7-104.9000109.2K766 P957 R961K766-Y959 PolarHBondContact NZ-OH 3.42Å; K766-Y959 VanDerWaalsContact NZ-OH 3.16Å; P957-Y959 PolarHBondContact O-N 3.19Å; Y959-R961 PolarHBondContact O-N 3.44Å
960D34.7Very low38.7Very low68 Ų68108.1 Ų108.136%0.36453%0.534SS..  trans-70.397.3173-161.8-22.7000109.2K798 R962K798-D960 IonicContact NZ-OD2 3.88Å; K798-D960 PolarHBondContact NZ-OD2 3.28Å; D960-R962 PolarHBondContact O-N 3.01Å; D960-R962 WeakPolarHBondContact OD1-CB 3.33Å; D960-R962 WeakPolarHBondContact OD1-CG 3.46Å; D960-R962 PolarHBondContact OD1-N 2.9Å; D960-R962 IonicContact OD1-NE 2.79Å
961R32.7Very low37.5Very low192 Ų192111.2 Ų111.273%0.72556%0.557SS**G310 helixtrans-62.5-6.7-177.9-89.1-172.5173.8176.3-0.2114.8Y959 N963 V964Y959-R961 PolarHBondContact O-N 3.44Å; R961-N963 PolarHBondContact O-N 3.04Å; R961-N963 VanDerWaalsContact O-N 3.1Å; R961-V964 HydrophobicContact CB-CG2 4.4Å; R961-V964 HydrophobicContact CG-CG2 4.22Å; R961-V964 PolarHBondContact O-N 3.03Å
962R31.1Very low36.2Very low221 Ų221110.6 Ų110.683%0.83456%0.561SS**G310 helixtrans-66.5-10.5-179-62.8178.9-159.7-179.36.3113.9D960D960-R962 PolarHBondContact O-N 3.01Å; D960-R962 WeakPolarHBondContact OD1-CB 3.33Å; D960-R962 WeakPolarHBondContact OD1-CG 3.46Å; D960-R962 PolarHBondContact OD1-N 2.9Å; D960-R962 IonicContact OD1-NE 2.79Å
963N33.2Very low35.1Very low141 Ų141113.9 Ų113.975%0.75457%0.57SS**G310 helixtrans-116.117.1179-75.1-11.2000114.4R961 T965R961-N963 PolarHBondContact O-N 3.04Å; R961-N963 VanDerWaalsContact O-N 3.1Å; N963-T965 PolarHBondContact O-N 3.1Å; N963-T965 VanDerWaalsContact O-N 3.07Å
964V30.4Very low34.4Very low46 Ų46119.5 Ų119.528%0.27959%0.588SS.*  trans-74.399.8174.5-178.40000109.4R961 Y966R961-V964 HydrophobicContact CB-CG2 4.4Å; R961-V964 HydrophobicContact CG-CG2 4.22Å; R961-V964 PolarHBondContact O-N 3.03Å; V964-Y966 HydrophobicContact CG1-CD2 4.31Å; V964-Y966 HydrophobicContact CG1-CE2 3.94Å
965T30.1Very low34.2Very low64 Ų64121.1 Ų121.139%0.39360%0.6SS.*  trans-85.4109.1170.314.80000110.5N963 N967N963-T965 PolarHBondContact O-N 3.1Å; N963-T965 VanDerWaalsContact O-N 3.07Å; T965-N967 VanDerWaalsContact C-N 3.33Å; T965-N967 PolarHBondContact O-N 3.22Å
966Y32.5Very low34.1Very low191 Ų191119.5 Ų119.575%0.74959%0.589SS**  trans-73.687.4165.2-69-85.7000109.4V964 K968V964-Y966 HydrophobicContact CG1-CD2 4.31Å; V964-Y966 HydrophobicContact CG1-CE2 3.94Å; Y966-K968 PolarHBondContact O-N 2.77Å
967N34.5Very low34.1Very low56 Ų56117 Ų11730%0.29957%0.574SS.*  trans-85.8108.9173-73.7-13.7000109.5T965 L969 I982T965-N967 VanDerWaalsContact C-N 3.33Å; T965-N967 PolarHBondContact O-N 3.22Å; N967-L969 HydrophobicContact CB-CD2 4.48Å; N967-L969 PolarHBondContact O-N 3.45Å; N967-I982 HydrophobicContact CB-CD1 4.29Å
968K39.3Very low34Very low141 Ų141114.3 Ų114.361%0.61356%0.556SS**  trans-61.8104.8153-83.5179.4174.7173.40106.2Y966 F970 E972Y966-K968 PolarHBondContact O-N 2.77Å; K968-F970 PolarHBondContact O-N 3.29Å; K968-E972 IonicContact NZ-OE1 3.25Å; K968-E972 PolarHBondContact NZ-OE1 3.08Å
969L43.4Very low34.1Very low31 Ų31111.5 Ų111.516%0.16253%0.528CS..  trans-64.7-4.6178.9-67.9175.5000113.3Y448 L457 N967 C980Y448-L969 HydrophobicContact CD1-CD2 4.31Å; Y448-L969 HydrophobicContact CE1-CB 4.47Å; Y448-L969 HydrophobicContact CE1-CD1 4.43Å; Y448-L969 HydrophobicContact CE1-CD2 3.75Å; Y448-L969 HydrophobicContact CE1-CG 4.45Å; L457-L969 HydrophobicContact CB-CD2 4.37Å; N967-L969 HydrophobicContact CB-CD2 4.48Å; N967-L969 PolarHBondContact O-N 3.45Å; L969-C980 HydrophobicContact CD1-CB 3.57Å; L969-C980 WeakPolarHBondContact CD1-SG 3.33Å; L969-C980 HydrophobicContact CG-CB 4.05Å
970F41.1Very low34.5Very low55 Ų55107.6 Ų107.624%0.24151%0.514CS..SBendtrans-113124.7-173.7-53.4-73.4000111.3M837 K968 E972 T978M837-F970 HydrophobicContact CE-CE1 4.18Å; M837-F970 HydrophobicContact SD-CE1 3.56Å; M837-F970 VanDerWaalsContact SD-CE1 3.56Å; M837-F970 HydrophobicContact SD-CZ 4.19Å; K968-F970 PolarHBondContact O-N 3.29Å; F970-E972 PolarHBondContact O-N 3.11Å; F970-T978 WeakPolarHBondContact CD2-O 3.32Å; F970-T978 HydrophobicContact CE2-CG2 3.66Å; F970-T978 WeakPolarHBondContact CE2-O 3.27Å; F970-T978 HydrophobicContact CZ-CG2 3.84Å
971P38.5Very low34.7Very low121 Ų121106.3 Ų106.379%0.78651%0.509SS*.  trans-63.8126.4168.326-31.9000109.3R973P971-R973 PolarHBondContact O-N 3.47Å
972E30.7Very low34.9Very low158 Ų15897.8 Ų97.874%0.73848%0.478SS*.  trans-60.4104.1178.6-69.8-174.5163.100110.6K968 F970K968-E972 IonicContact NZ-OE1 3.25Å; K968-E972 PolarHBondContact NZ-OE1 3.08Å; F970-E972 PolarHBondContact O-N 3.11Å
973R31.2Very low34.9Very low229 Ų22992.1 Ų92.186%0.86446%0.463SS*.  trans-130.4110.4155.9-76.2-168.7177.6-174.60.4108.3P971P971-R973 PolarHBondContact O-N 3.47Å
974E30.6Very low35Very low187 Ų18789.7 Ų89.787%0.87445%0.449SS*.SBendtrans26.8106.6167.2-64.5-179167.700117.7
975N31.1Very low35.2Very low152 Ų15291.9 Ų91.981%0.81346%0.458SS*.SBendtrans82.525158.5-75.9-19.7000121.8
976T34.6Very low35.5Very low75 Ų7593.5 Ų93.546%0.4646%0.461SS..  trans-134.1105.817156.70000113.4T978T976-T978 PolarHBondContact O-N 2.65Å
977S33.3Very low35.7Very low50 Ų5087.8 Ų87.835%0.3545%0.445SS..  trans-84.8102.9167.570.70000109R814R814-S977 PolarHBondContact NE-OG 2.95Å; R814-S977 VanDerWaalsContact NE-OG 3.07Å; R814-S977 PolarHBondContact NH2-OG 3.23Å
978T37.2Very low35.8Very low18 Ų1889.8 Ų89.811%0.1145%0.454CS..  trans-119.7110.1164.1-540000105I819 F970 T976I819-T978 HydrophobicContact CD1-CG2 3.2Å; I819-T978 HydrophobicContact CG1-CG2 4.32Å; F970-T978 WeakPolarHBondContact CD2-O 3.32Å; F970-T978 HydrophobicContact CE2-CG2 3.66Å; F970-T978 WeakPolarHBondContact CE2-O 3.27Å; F970-T978 HydrophobicContact CZ-CG2 3.84Å; T976-T978 PolarHBondContact O-N 2.65Å
979T35.2Very low35.5Very low48 Ų4886.3 Ų86.329%0.29444%0.443SS..  trans-98.5121.9-176.5-41.30000108.2E813E813-T979 WeakPolarHBondContact OE1-CB 3.28Å; E813-T979 PolarHBondContact OE1-OG1 3.17Å; E813-T979 PolarHBondContact OE2-OG1 3.25Å
980C38.1Very low35Very low15 Ų1590.3 Ų90.310%0.10146%0.463CS..  trans-101.4130.3170-160.60000107.8L810 L969L810-C980 WeakPolarHBondContact CD2-SG 3.45Å; L969-C980 HydrophobicContact CD1-CB 3.57Å; L969-C980 WeakPolarHBondContact CD1-SG 3.33Å; L969-C980 HydrophobicContact CG-CB 4.05Å
981V39Very low34.5Very low42 Ų4293 Ų9326%0.25548%0.48SS..EExtended strand (participates in β ladder)trans-102.9110.4178.9-1740000107.9R809 L983R809-V981 PolarHBondContact N-O 3.31Å; V981-L983 HydrophobicContact CG1-CD2 3.76Å; V981-L983 HydrophobicContact CG1-CG 4.07Å
982I37.7Very low34.2Very low12 Ų1290.7 Ų90.76%0.06246%0.455CS..EExtended strand (participates in β ladder)trans-92.1123.3164.2-56.1179.5000105.6L457 L808 N967L457-I982 HydrophobicContact CB-CD1 4.27Å; L457-I982 HydrophobicContact CD1-CD1 4.19Å; L457-I982 HydrophobicContact CG-CD1 4.34Å; L808-I982 HydrophobicContact CD1-CG1 4.05Å; N967-I982 HydrophobicContact CB-CD1 4.29Å
983L31.1Very low34.5Very low102 Ų10284.5 Ų84.553%0.53443%0.429SS..  trans-94.70-173.9-73.1172.5000112.7L806 V981L806-L983 HydrophobicContact CD2-CD1 3.52Å; L806-L983 HydrophobicContact CG-CD1 3.95Å; V981-L983 HydrophobicContact CG1-CD2 3.76Å; V981-L983 HydrophobicContact CG1-CG 4.07Å

Retrieved 983 of 983 residues in 547.9 ms (Link to these results)

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