A0A077Z7U3_TRITR Loading...

Ribosome maturation protein SBDS

AlphaFold DB , UniProt , Accession A0A077Z7U3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 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
1M36.2Very low51.8Low239 Ų239152.1 Ų152.1100%1.17778%0.78SS**  0105.40-76.2178.1-175.300108.7K3M1-K3 PolarHBondContact O-N 3.26Å
2N42.2Very low52.1Low162 Ų162155.3 Ų155.387%0.86678%0.775SS**  trans-74106.7175.6-78-2.4000108.6I4N2-I4 PolarHBondContact O-N 3.38Å
3K51.7Low52.6Low203 Ų203149.5 Ų149.588%0.88375%0.748SS**  trans-67103.7170.6-83.1-177.2175.3179.90108M1 F5M1-K3 PolarHBondContact O-N 3.26Å; K3-F5 PolarHBondContact O-N 2.6Å
4I54.1Low53Low147 Ų147146.7 Ų146.775%0.75474%0.743SS**  trans-57.1121.3175.1-58.3170.6000107.7N2 T6N2-I4 PolarHBondContact O-N 3.38Å; I4-T6 VanDerWaalsContact C-N 3.27Å; I4-T6 HydrophobicContact CG2-CG2 3.87Å; I4-T6 PolarHBondContact O-N 2.97Å
5F53Low53.8Low180 Ų180145 Ų14579%0.78974%0.737SS**  trans-82.472.5-177.5-141.5-88.2000109.2K3K3-F5 PolarHBondContact O-N 2.6Å
6T56Low55.3Low69 Ų69137.6 Ų137.642%0.42370%0.7SS.*  trans-74.3140.9176.347.90000110.8I4 T8 N9I4-T6 VanDerWaalsContact C-N 3.27Å; I4-T6 HydrophobicContact CG2-CG2 3.87Å; I4-T6 PolarHBondContact O-N 2.97Å; T6-T8 PolarHBondContact O-N 2.91Å; T6-N9 PolarHBondContact O-N 3.46Å
7P58.6Low57Low115 Ų115130.1 Ų130.175%0.74766%0.664SS**G310 helixtrans-61-18-175.923.8-33.3000114N9P7-N9 VanDerWaalsContact C-N 3.26Å; P7-N9 PolarHBondContact O-N 2.99Å
8T54.5Low58.8Low130 Ų130123.7 Ų123.780%0.79863%0.632SS**G310 helixtrans-66.9-16.9-176.3-7.80000114.9T6T6-T8 PolarHBondContact O-N 2.91Å
9N54Low60.5Low149 Ų149117.2 Ų117.280%0.79760%0.599SS**G310 helixtrans-114.418.9-174.8-148.97.3000113.9T6 P7T6-N9 PolarHBondContact O-N 3.46Å; P7-N9 VanDerWaalsContact C-N 3.26Å; P7-N9 PolarHBondContact O-N 2.99Å
10Q56.1Low62.1Low91 Ų91114.7 Ų114.743%0.42558%0.582SS.*  trans-99.288.8-178.5-148.2177.740.200110.1R12Q10-R12 HydrophobicContact CG-CG 4.48Å; Q10-R12 PolarHBondContact O-N 3.38Å
11M53.2Low63.5Low188 Ų188110.4 Ų110.493%0.92656%0.56SS**  trans-66.799.9167.4-85.1-169.8-174.200109
12R55.1Low66.2Low190 Ų190106 Ų10672%0.71753%0.534SS*.  trans-87110.4170.3-64.8-175.6-177.1-170.11.2107.5Q10 T14Q10-R12 HydrophobicContact CG-CG 4.48Å; Q10-R12 PolarHBondContact O-N 3.38Å; R12-T14 PolarHBondContact O-N 2.96Å
13L58.8Low68.4Low81 Ų81102.5 Ų102.542%0.42451%0.511SS..  trans-64.7111.1169.8-57.9156.6000107.7V16 A31 V61L13-V16 HydrophobicContact CB-CB 4.45Å; L13-V16 HydrophobicContact CB-CG2 3.22Å; L13-V16 HydrophobicContact CD1-CG2 4.29Å; L13-V16 HydrophobicContact CG-CG2 4.26Å; L13-A31 HydrophobicContact CD1-CB 4.27Å; L13-V61 HydrophobicContact CD1-CG1 4.42Å
14T58Low69.9Low110 Ų11096 Ų9668%0.67550%0.501SS*.THydrogen-bonded Turntrans-83.4139.6178.646.40000109.4R12 V16R12-T14 PolarHBondContact O-N 2.96Å; T14-V16 PolarHBondContact O-N 3.31Å
15N65.6Low71.6Confident121 Ų12192.3 Ų92.365%0.64750%0.5SS*.THydrogen-bonded Turntrans57.143.3179-69.2-23.9000116.1K34N15-K34 HydrophobicContact CB-CD 4.19Å; N15-K34 WeakPolarHBondContact O-CG 3.45Å
16V78.2Confident73.3Confident26 Ų2687.4 Ų87.416%0.15848%0.478CS..EExtended strand (participates in β ladder)trans-88.2136.4174.3-178.20000112L13 T14 V18 A31 K34 Q53 V61L13-V16 HydrophobicContact CB-CB 4.45Å; L13-V16 HydrophobicContact CB-CG2 3.22Å; L13-V16 HydrophobicContact CD1-CG2 4.29Å; L13-V16 HydrophobicContact CG-CG2 4.26Å; T14-V16 PolarHBondContact O-N 3.31Å; V16-V18 HydrophobicContact CG1-CG2 4.32Å; V16-A31 HydrophobicContact CG1-CB 3.7Å; V16-K34 WeakPolarHBondContact O-CE 3.16Å; V16-Q53 VanDerWaalsContact CG2-OE1 3.22Å; V16-V61 HydrophobicContact CG1-CG1 4.31Å
17A84.1Confident75Confident10 Ų1090.2 Ų90.28%0.08348%0.481CS..EExtended strand (participates in β ladder)trans-91.7132.6160.300000109.1C32 K34 V37 L94A17-C32 HydrophobicContact CB-CB 4.45Å; A17-C32 PolarHBondContact N-O 3.16Å; A17-C32 PolarHBondContact O-N 3.33Å; A17-K34 HydrophobicContact CB-CG 3.97Å; A17-V37 HydrophobicContact CB-CG2 4.34Å; A17-L94 HydrophobicContact CB-CD1 4.04Å
18V88.9Confident76.7Confident15 Ų1584.8 Ų84.89%0.09145%0.446CS..EExtended strand (participates in β ladder)trans-104.6124.3179.6-178.60000108.7V16 E29 I30 V61 Q95V16-V18 HydrophobicContact CG1-CG2 4.32Å; V18-E29 HydrophobicContact CG1-CB 3.89Å; V18-E29 HydrophobicContact CG1-CG 4.09Å; V18-I30 WeakPolarHBondContact CA-O 3.42Å; V18-V61 HydrophobicContact CG1-CB 4.28Å; V18-V61 HydrophobicContact CG1-CG2 4.03Å; V18-V61 HydrophobicContact CG2-CB 3.94Å; V18-V61 HydrophobicContact CG2-CG1 3.95Å; V18-V61 HydrophobicContact CG2-CG2 4.34Å; V18-Q95 HydrophobicContact CB-CB 4.31Å; V18-Q95 VanDerWaalsContact O-CB 3.26Å; V18-Q95 WeakPolarHBondContact O-CB 3.31Å; V18-Q95 PolarHBondContact O-N 3.43Å
19V91.2Very high78.5Confident0 Ų078.8 Ų78.80%041%0.408CS..EExtended strand (participates in β ladder)trans-103.3125.1169.4-176.90000108.1E29 I30 V37 I88 L89 E93 L94V19-E29 CarbonylContact O-C 3.57Å; V19-E29 VanDerWaalsContact O-CA 3.25Å; V19-E29 WeakPolarHBondContact O-CA 3.27Å; V19-I30 HydrophobicContact CB-CD1 4.03Å; V19-I30 HydrophobicContact CB-CG1 3.69Å; V19-I30 HydrophobicContact CG2-CG1 4.43Å; V19-I30 PolarHBondContact N-O 2.83Å; V19-I30 PolarHBondContact O-N 2.83Å; V19-V37 HydrophobicContact CG2-CG1 3.8Å; V19-V37 HydrophobicContact CG2-CG2 4.06Å; V19-I88 HydrophobicContact CB-CG2 4.49Å; V19-I88 HydrophobicContact CG1-CG2 4.08Å; V19-I88 WeakPolarHBondContact CG1-O 3.27Å; V19-L89 HydrophobicContact CG2-CD1 4.33Å; V19-E93 WeakPolarHBondContact CA-O 3.26Å; V19-L94 HydrophobicContact CG2-CD1 3.92Å
20R91.6Very high80.3Confident67 Ų6771.7 Ų71.725%0.25337%0.371SS..EExtended strand (participates in β ladder)trans-107.8138.7-177170.2180-80.9173.31.1110.6F28 E29 G92 E93R20-F28 CarbonylContact C-O 3.55Å; R20-F28 WeakPolarHBondContact CA-O 3.5Å; R20-E29 HydrophobicContact CB-CG 4.19Å; R20-E29 HydrophobicContact CG-CG 4.37Å; R20-E29 IonicContact CZ-OE1 2.62Å; R20-E29 VanDerWaalsContact CZ-OE1 3.3Å; R20-E29 IonicContact NE-OE1 3.19Å; R20-E29 PolarHBondContact NE-OE1 3.29Å; R20-E29 IonicContact NH2-OE1 3.06Å; R20-E29 PolarHBondContact NH2-OE1 3.08Å; R20-G92 CarbonylContact O-C 3.59Å; R20-G92 VanDerWaalsContact O-CA 3.27Å; R20-G92 WeakPolarHBondContact O-CA 3.37Å; R20-E93 PolarHBondContact N-O 3.18Å; R20-E93 PolarHBondContact O-N 3.02Å
21M93.3Very high82Confident25 Ų2567.3 Ų67.312%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-130.1131.6166.9-169.1178.7-172.500110K23 F28 F76 I87 I88 K91M21-K23 HydrophobicContact CE-CD 4.22Å; M21-F28 PolarHBondContact N-O 3.27Å; M21-F28 PolarHBondContact O-N 3.3Å; M21-F76 HydrophobicContact SD-CE1 3.97Å; M21-F76 HydrophobicContact SD-CZ 4.15Å; M21-I87 HydrophobicContact CE-CG2 4.37Å; M21-I87 HydrophobicContact SD-CG2 4.3Å; M21-I88 HydrophobicContact CB-CB 4.43Å; M21-I88 HydrophobicContact CB-CG1 4.02Å; M21-I88 HydrophobicContact CB-CG2 4.03Å; M21-I88 HydrophobicContact SD-CG1 3.95Å; M21-K91 HydrophobicContact CE-CB 3.96Å; M21-K91 HydrophobicContact CE-CD 4.42Å
22K92Very high83.7Confident146 Ų14658.4 Ų58.464%0.63531%0.306SS*.EExtended strand (participates in β ladder)trans-107.3116.4173.7-166.5-177.2179.4-170.50108.8K26 R27K22-K26 WeakPolarHBondContact CA-O 3.31Å; K22-R27 HydrophobicContact CG-CG 4.38Å
23K88.9Confident85.2Confident90 Ų9054.6 Ų54.639%0.39129%0.293SS..EExtended strand (participates in β ladder)trans-147.1137.6-179.6-165.7-176.8177.3-155.60109.8M21 G25 K26 V75M21-K23 HydrophobicContact CE-CD 4.22Å; K23-G25 VanDerWaalsContact C-N 3.28Å; K23-G25 PolarHBondContact O-N 2.99Å; K23-K26 PolarHBondContact N-O 3.41Å; K23-K26 PolarHBondContact O-N 3.1Å; K23-K26 VanDerWaalsContact O-N 3.16Å; K23-V75 HydrophobicContact CB-CG1 3.59Å; K23-V75 HydrophobicContact CD-CG1 3.63Å; K23-V75 WeakPolarHBondContact CE-O 3.46Å; K23-V75 HydrophobicContact CG-CG1 3.62Å; K23-V75 PolarHBondContact NZ-O 3.17Å
24G83.8Confident86Confident65 Ų6554 Ų5467%0.6729%0.287SS*.THydrogen-bonded Turntrans60.833.6-178.700000114K26G24-K26 PolarHBondContact O-N 3.14Å
25G88.3Confident86.9Confident70 Ų7055.1 Ų55.172%0.72229%0.289SS*.THydrogen-bonded Turntrans74.2-11.8-176.700000115.2K23K23-G25 VanDerWaalsContact C-N 3.28Å; K23-G25 PolarHBondContact O-N 2.99Å
26K90.1Very high87.8Confident78 Ų7851.8 Ų51.834%0.33927%0.268SS..EExtended strand (participates in β ladder)trans-96154.7178.7-64.6179.4-174.4169.90111.4K22 K23 G24 F28 D71K22-K26 WeakPolarHBondContact CA-O 3.31Å; K23-K26 PolarHBondContact N-O 3.41Å; K23-K26 PolarHBondContact O-N 3.1Å; K23-K26 VanDerWaalsContact O-N 3.16Å; G24-K26 PolarHBondContact O-N 3.14Å; K26-F28 HydrophobicContact CB-CE2 3.67Å; K26-F28 HydrophobicContact CB-CZ 3.82Å; K26-F28 HydrophobicContact CD-CZ 4.43Å; K26-D71 HydrophobicContact CD-CB 3.81Å; K26-D71 IonicContact NZ-OD1 3.76Å; K26-D71 PolarHBondContact NZ-OD1 3.36Å; K26-D71 IonicContact NZ-OD2 3.39Å
27R91.3Very high88Confident127 Ų12750.7 Ų50.748%0.47926%0.261SS..EExtended strand (participates in β ladder)trans-106.9132.1176.4-63.9-177.9-177.1-1731108.5K22 T59K22-R27 HydrophobicContact CG-CG 4.38Å; R27-T59 WeakPolarHBondContact O-CG2 3.1Å
28F93.8Very high87.9Confident1 Ų153.8 Ų53.80%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-124.8139.2175.1-58.1-83.9000108.2R20 M21 K26 V57 F58 A67 D71 L72 V75 F76 I88R20-F28 CarbonylContact C-O 3.55Å; R20-F28 WeakPolarHBondContact CA-O 3.5Å; M21-F28 PolarHBondContact N-O 3.27Å; M21-F28 PolarHBondContact O-N 3.3Å; K26-F28 HydrophobicContact CB-CE2 3.67Å; K26-F28 HydrophobicContact CB-CZ 3.82Å; K26-F28 HydrophobicContact CD-CZ 4.43Å; F28-V57 HydrophobicContact CB-CG1 3.89Å; F28-V57 HydrophobicContact CD1-CG1 3.87Å; F28-V57 HydrophobicContact CG-CG1 4.33Å; F28-F58 CarbonylContact C-O 3.57Å; F28-F58 WeakPolarHBondContact CA-O 3.46Å; F28-A67 HydrophobicContact CD1-CB 3.94Å; F28-A67 HydrophobicContact CE1-CB 4.02Å; F28-D71 HydrophobicContact CE1-CB 4.33Å; F28-D71 HydrophobicContact CZ-CB 4.34Å; F28-L72 HydrophobicContact CD1-CD2 3.81Å; F28-L72 HydrophobicContact CE1-CD2 3.66Å; F28-L72 HydrophobicContact CE1-CG 4.45Å; F28-V75 HydrophobicContact CE2-CB 4.08Å; F28-V75 HydrophobicContact CE2-CG1 3.79Å; F28-V75 HydrophobicContact CE2-CG2 4.02Å; F28-V75 HydrophobicContact CZ-CB 4.09Å; F28-V75 HydrophobicContact CZ-CG1 4.3Å; F28-V75 HydrophobicContact CZ-CG2 3.95Å; F28-F76 HydrophobicContact CD1-CE2 4.18Å; F28-F76 AromaticContact CD2-CE2 3.78Å; F28-F76 HydrophobicContact CD2-CE2 3.78Å; F28-F76 HydrophobicContact CD2-CZ 4.11Å; F28-F76 HydrophobicContact CE1-CE2 4.27Å; F28-F76 AromaticContact CE2-CE2 3.89Å; F28-F76 HydrophobicContact CE2-CE2 3.89Å; F28-F76 AromaticContact CG-CE2 3.93Å; F28-F76 HydrophobicContact CG-CE2 3.93Å; F28-F76 HydrophobicContact CG-CZ 4.34Å; F28-F76 HydrophobicContact CZ-CE2 4.12Å; F28-I88 HydrophobicContact CB-CD1 3.73Å
29E92.7Very high87.7Confident4 Ų455 Ų552%0.01929%0.288CS..EExtended strand (participates in β ladder)trans-137.6144.3-174.9-65.2-177.7175.600109V18 V19 R20 F58 N60 V61V18-E29 HydrophobicContact CG1-CB 3.89Å; V18-E29 HydrophobicContact CG1-CG 4.09Å; V19-E29 CarbonylContact O-C 3.57Å; V19-E29 VanDerWaalsContact O-CA 3.25Å; V19-E29 WeakPolarHBondContact O-CA 3.27Å; R20-E29 HydrophobicContact CB-CG 4.19Å; R20-E29 HydrophobicContact CG-CG 4.37Å; R20-E29 IonicContact CZ-OE1 2.62Å; R20-E29 VanDerWaalsContact CZ-OE1 3.3Å; R20-E29 IonicContact NE-OE1 3.19Å; R20-E29 PolarHBondContact NE-OE1 3.29Å; R20-E29 IonicContact NH2-OE1 3.06Å; R20-E29 PolarHBondContact NH2-OE1 3.08Å; E29-F58 PolarHBondContact N-O 3.48Å; E29-F58 WeakPolarHBondContact O-CA 3.42Å; E29-F58 WeakPolarHBondContact O-CB 3.36Å; E29-F58 PolarHBondContact O-N 2.78Å; E29-N60 WeakPolarHBondContact OE2-CA 3.46Å; E29-V61 HydrophobicContact CB-CG2 3.68Å; E29-V61 PolarHBondContact OE2-N 2.76Å
30I92.6Very high87.5Confident0 Ų056 Ų560%029%0.292CS..EExtended strand (participates in β ladder)trans-126.5146.1176.357.6173.7000110.2V18 V19 L52 V57 C85 I88 L89V18-I30 WeakPolarHBondContact CA-O 3.42Å; V19-I30 HydrophobicContact CB-CD1 4.03Å; V19-I30 HydrophobicContact CB-CG1 3.69Å; V19-I30 HydrophobicContact CG2-CG1 4.43Å; V19-I30 PolarHBondContact N-O 2.83Å; V19-I30 PolarHBondContact O-N 2.83Å; I30-L52 HydrophobicContact CD1-CD2 3.98Å; I30-V57 HydrophobicContact CG2-CG2 4.43Å; I30-C85 HydrophobicContact CG2-CB 4.37Å; I30-I88 HydrophobicContact CD1-CB 4.09Å; I30-I88 HydrophobicContact CD1-CG2 3.74Å; I30-I88 HydrophobicContact CG1-CG2 3.76Å; I30-I88 HydrophobicContact CG2-CB 4.34Å; I30-I88 HydrophobicContact CG2-CD1 4.01Å; I30-I88 HydrophobicContact CG2-CG2 4.11Å; I30-L89 HydrophobicContact CD1-CB 4.08Å; I30-L89 HydrophobicContact CD1-CD1 3.59Å; I30-L89 HydrophobicContact CD1-CG 4.46Å
31A90.3Very high87Confident0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-93.6115.1178.200000110.1L13 V16 Q53 F58 V61L13-A31 HydrophobicContact CD1-CB 4.27Å; V16-A31 HydrophobicContact CG1-CB 3.7Å; A31-Q53 HydrophobicContact CB-CB 4.47Å; A31-Q53 PolarHBondContact O-N 2.93Å; A31-F58 HydrophobicContact CB-CE2 4.33Å; A31-V61 HydrophobicContact CB-CG1 4.14Å
32C89.4Confident86.6Confident0 Ų062.5 Ų62.50%032%0.324CS..EExtended strand (participates in β ladder)trans-121.1159.2-178.6-50.90000110.9A17 V37 V51 L89A17-C32 HydrophobicContact CB-CB 4.45Å; A17-C32 PolarHBondContact N-O 3.16Å; A17-C32 PolarHBondContact O-N 3.33Å; C32-V37 HydrophobicContact CB-CG2 3.42Å; C32-V37 VanDerWaalsContact CB-CG2 3.42Å; C32-V51 CarbonylContact C-O 3.49Å; C32-V51 VanDerWaalsContact CA-O 3.27Å; C32-V51 WeakPolarHBondContact CA-O 3.45Å; C32-V51 WeakPolarHBondContact CB-O 3.3Å; C32-L89 VanDerWaalsContact SG-CD1 3.56Å
33Y86.8Confident86.2Confident110 Ų11064 Ų6443%0.43133%0.331SS..EExtended strand (participates in β ladder)trans-71.2139.2168.3-72.9-77.7000111.2K36 E50 V51 Q53Y33-K36 PolarHBondContact O-N 3.13Å; Y33-E50 WeakPolarHBondContact CD2-O 3.49Å; Y33-V51 PolarHBondContact N-O 2.96Å; Y33-Q53 HydrophobicContact CD1-CG 4.01Å; Y33-Q53 VanDerWaalsContact CD1-NE2 3.33Å; Y33-Q53 HydrophobicContact CD2-CG 3.84Å; Y33-Q53 HydrophobicContact CE1-CG 3.83Å; Y33-Q53 HydrophobicContact CE2-CB 4.43Å; Y33-Q53 HydrophobicContact CE2-CG 3.65Å; Y33-Q53 HydrophobicContact CG-CG 4.02Å
34K74.6Confident85.8Confident69 Ų6963.4 Ų63.430%0.334%0.343SS..THydrogen-bonded Turntrans-60.6137173.6-71.4177.1175.3-160.20109.7N15 V16 A17 K36 E100N15-K34 HydrophobicContact CB-CD 4.19Å; N15-K34 WeakPolarHBondContact O-CG 3.45Å; V16-K34 WeakPolarHBondContact O-CE 3.16Å; A17-K34 HydrophobicContact CB-CG 3.97Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.06Å; K34-E100 IonicContact NZ-OE1 2.97Å; K34-E100 PolarHBondContact NZ-OE1 2.68Å
35N78.8Confident85.4Confident134 Ų13462.8 Ų62.872%0.71732%0.322SS*.THydrogen-bonded Turntrans79-29.3-174.4-49.5-25.3000116.7V37 V38 S39N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 2.62Å; N35-V38 PolarHBondContact O-N 3.06Å; N35-S39 PolarHBondContact O-N 3.47Å; N35-S39 PolarHBondContact O-OG 3.2Å
36K83.7Confident85Confident51 Ų5167.8 Ų67.822%0.22232%0.324CS..Hα-helixtrans-69.6-30.6-179.4-70.6-76.2-164.3163.20113.4Y33 K34 V38 S39 W40 E45 E50 V51Y33-K36 PolarHBondContact O-N 3.13Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.06Å; K36-V38 VanDerWaalsContact C-N 3.28Å; K36-V38 PolarHBondContact O-N 3.32Å; K36-S39 PolarHBondContact O-N 3.15Å; K36-W40 PolarHBondContact O-N 2.83Å; K36-E45 VanDerWaalsContact CD-OE2 3.27Å; K36-E45 WeakPolarHBondContact CD-OE2 3.43Å; K36-E45 IonicContact NZ-OE1 2.82Å; K36-E45 PolarHBondContact NZ-OE1 3.32Å; K36-E45 IonicContact NZ-OE2 2.78Å; K36-E45 PolarHBondContact NZ-OE2 3.24Å; K36-E50 IonicContact NZ-OE2 2.68Å; K36-E50 PolarHBondContact NZ-OE2 2.88Å; K36-V51 HydrophobicContact CB-CB 4.34Å; K36-V51 HydrophobicContact CB-CG1 4.1Å; K36-V51 HydrophobicContact CB-CG2 4.25Å
37V82.9Confident84.7Confident2 Ų269.1 Ų69.11%0.01234%0.335CS..Hα-helixtrans-60.7-38.3177.5-175.40000111.9A17 V19 C32 N35 R41 L89 L94A17-V37 HydrophobicContact CB-CG2 4.34Å; V19-V37 HydrophobicContact CG2-CG1 3.8Å; V19-V37 HydrophobicContact CG2-CG2 4.06Å; C32-V37 HydrophobicContact CB-CG2 3.42Å; C32-V37 VanDerWaalsContact CB-CG2 3.42Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 2.62Å; V37-R41 WeakPolarHBondContact O-CG 3.28Å; V37-R41 PolarHBondContact O-N 3.1Å; V37-L89 HydrophobicContact CG1-CD1 4.48Å; V37-L94 HydrophobicContact CB-CD1 4.26Å; V37-L94 HydrophobicContact CG1-CD1 4.12Å; V37-L94 HydrophobicContact CG1-CD2 4.46Å; V37-L94 HydrophobicContact CG2-CD1 4.19Å
38V81.7Confident84.4Confident76 Ų7664.7 Ų64.746%0.46132%0.321SS..Hα-helixtrans-70.1-44.2178.5-177.90000110.2N35 K36 W40 R41 N42N35-V38 PolarHBondContact O-N 3.06Å; K36-V38 VanDerWaalsContact C-N 3.28Å; K36-V38 PolarHBondContact O-N 3.32Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-W40 PolarHBondContact O-N 3.15Å; V38-R41 PolarHBondContact O-N 3.13Å; V38-N42 PolarHBondContact O-N 2.91Å; V38-N42 PolarHBondContact O-ND2 3.34Å
39S85.3Confident84Confident40 Ų4070.3 Ų70.328%0.2835%0.351SS..Hα-helixtrans-59.1-39.5175.4-58.10000112.7N35 K36 N42 K43 A44N35-S39 PolarHBondContact O-N 3.47Å; N35-S39 PolarHBondContact O-OG 3.2Å; K36-S39 PolarHBondContact O-N 3.15Å; S39-N42 CarbonylContact O-C 3.52Å; S39-N42 PolarHBondContact O-N 2.95Å; S39-K43 PolarHBondContact O-N 3.07Å; S39-A44 PolarHBondContact O-N 3.16Å
40W86.4Confident83.6Confident21 Ų2174.8 Ų74.88%0.0837%0.372CS..Hα-helixtrans-61.8-47174.7-177.3-91.5000112.2K36 V38 N42 K43 E45 K46 L48 V51 K86 L89 D90K36-W40 PolarHBondContact O-N 2.83Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-W40 PolarHBondContact O-N 3.15Å; W40-N42 PolarHBondContact O-N 3.31Å; W40-K43 WeakPolarHBondContact O-CA 3.36Å; W40-K43 PolarHBondContact O-N 3.31Å; W40-E45 VanDerWaalsContact CE3-O 3.28Å; W40-K46 VanDerWaalsContact CZ3-C 3.44Å; W40-K46 WeakPolarHBondContact CZ3-O 3.48Å; W40-L48 HydrophobicContact CH2-CD2 3.64Å; W40-L48 HydrophobicContact CH2-CG 3.83Å; W40-L48 HydrophobicContact CZ2-CD2 3.94Å; W40-L48 HydrophobicContact CZ3-CD2 4.14Å; W40-L48 HydrophobicContact CZ3-CG 4.29Å; W40-V51 HydrophobicContact CB-CG1 4.36Å; W40-V51 HydrophobicContact CB-CG2 4.33Å; W40-V51 HydrophobicContact CD2-CG2 4.47Å; W40-V51 HydrophobicContact CE3-CG2 3.76Å; W40-V51 HydrophobicContact CZ3-CG2 4.45Å; W40-K86 HydrophobicContact CZ2-CG 4.27Å; W40-L89 HydrophobicContact CB-CD2 4.19Å; W40-L89 HydrophobicContact CD2-CD2 3.56Å; W40-L89 HydrophobicContact CE3-CD2 4.36Å; W40-L89 HydrophobicContact CG-CD2 3.43Å; W40-L89 VanDerWaalsContact CG-CD2 3.43Å; W40-L89 HydrophobicContact CG-CG 4.17Å; W40-L89 HydrophobicContact CZ2-CD2 4.33Å; W40-D90 PolarHBondContact NE1-OD1 2.84Å
41R81.5Confident83.4Confident109 Ų10974.8 Ų74.841%0.41137%0.372SS..Hα-helixtrans-62.8-33.3177.4-72.3-179.3-179-153.4-6112.6V37 V38 K43 G92V37-R41 WeakPolarHBondContact O-CG 3.28Å; V37-R41 PolarHBondContact O-N 3.1Å; V38-R41 PolarHBondContact O-N 3.13Å; R41-K43 PolarHBondContact O-N 3.45Å; R41-G92 PolarHBondContact NH2-O 2.99Å
42N83.8Confident83.3Confident119 Ų11975 Ų7564%0.63637%0.373SS*.THydrogen-bonded Turntrans-77.80173.6-66.2-16.9000113.1V38 S39 W40 A44V38-N42 PolarHBondContact O-N 2.91Å; V38-N42 PolarHBondContact O-ND2 3.34Å; S39-N42 CarbonylContact O-C 3.52Å; S39-N42 PolarHBondContact O-N 2.95Å; W40-N42 PolarHBondContact O-N 3.31Å; N42-A44 PolarHBondContact O-N 3.18Å
43K83.7Confident83.2Confident177 Ų17777.1 Ų77.177%0.7738%0.383SS*.THydrogen-bonded Turntrans58.522.9-177.9-54.6178-179.4175.30114.2S39 W40 R41S39-K43 PolarHBondContact O-N 3.07Å; W40-K43 WeakPolarHBondContact O-CA 3.36Å; W40-K43 PolarHBondContact O-N 3.31Å; R41-K43 PolarHBondContact O-N 3.45Å
44A81.6Confident83.2Confident78 Ų7874.2 Ų74.265%0.64538%0.376SS*.  trans-74-37.2177.700000111.3S39 N42S39-A44 PolarHBondContact O-N 3.16Å; N42-A44 PolarHBondContact O-N 3.18Å
45E74.3Confident83.9Confident52 Ų5273.8 Ų73.824%0.24338%0.376CS..  trans-112.8144.2175.7-80.8-175.1-151.700112.1K36 W40K36-E45 VanDerWaalsContact CD-OE2 3.27Å; K36-E45 WeakPolarHBondContact CD-OE2 3.43Å; K36-E45 IonicContact NZ-OE1 2.82Å; K36-E45 PolarHBondContact NZ-OE1 3.32Å; K36-E45 IonicContact NZ-OE2 2.78Å; K36-E45 PolarHBondContact NZ-OE2 3.24Å; W40-E45 VanDerWaalsContact CE3-O 3.28Å
46K79Confident84.4Confident176 Ų17668.7 Ų68.777%0.76535%0.35SS*.  trans-118.1-13.8-176.2-64.6-179.2-177.3174.50113.5W40W40-K46 VanDerWaalsContact CZ3-C 3.44Å; W40-K46 WeakPolarHBondContact CZ3-O 3.48Å
47D85.4Confident84.8Confident106 Ų10666.2 Ų66.257%0.56734%0.34SS*.  trans-89.4122.4-178.5-64.8-43.7000111
48L84.7Confident85.2Confident34 Ų3466.7 Ų66.718%0.17834%0.341CS..Hα-helixtrans-70.8-33.2-177.5-78.4163.7000112.2W40 E50 V51 L52 T82 L89W40-L48 HydrophobicContact CH2-CD2 3.64Å; W40-L48 HydrophobicContact CH2-CG 3.83Å; W40-L48 HydrophobicContact CZ2-CD2 3.94Å; W40-L48 HydrophobicContact CZ3-CD2 4.14Å; W40-L48 HydrophobicContact CZ3-CG 4.29Å; L48-E50 VanDerWaalsContact C-N 3.25Å; L48-E50 PolarHBondContact O-N 2.9Å; L48-V51 PolarHBondContact O-N 3.34Å; L48-V51 VanDerWaalsContact O-N 3.12Å; L48-L52 HydrophobicContact CB-CD1 4.4Å; L48-L52 HydrophobicContact CD2-CD1 4.14Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 PolarHBondContact O-N 3.19Å; L48-T82 HydrophobicContact CD1-CG2 4.3Å; L48-L89 HydrophobicContact CD2-CD2 4.37Å
49D84.7Confident85.7Confident118 Ų11865.4 Ų65.463%0.63133%0.334SS*.Hα-helixtrans-63.7-28.9179.8-68.9-69.5000112.7H55D49-H55 IonicContact OD1-CE1 2.97Å; D49-H55 PolarHBondContact OD1-CE1 3.49Å; D49-H55 IonicContact OD1-ND1 3.69Å; D49-H55 IonicContact OD1-NE2 3.15Å; D49-H55 PolarHBondContact OD1-NE2 3.09Å
50E85.2Confident85.8Confident98 Ų9865.4 Ų65.446%0.45833%0.331SS..Hα-helixtrans-79.3-24176-72.1-158.3177.600113.1Y33 K36 L48Y33-E50 WeakPolarHBondContact CD2-O 3.49Å; K36-E50 IonicContact NZ-OE2 2.68Å; K36-E50 PolarHBondContact NZ-OE2 2.88Å; L48-E50 VanDerWaalsContact C-N 3.25Å; L48-E50 PolarHBondContact O-N 2.9Å
51V87.8Confident85.8Confident0 Ų065.1 Ų65.10%033%0.331CS..Hα-helixtrans-93-42.6-177-176.50000111.5C32 Y33 K36 W40 L48 L89C32-V51 CarbonylContact C-O 3.49Å; C32-V51 VanDerWaalsContact CA-O 3.27Å; C32-V51 WeakPolarHBondContact CA-O 3.45Å; C32-V51 WeakPolarHBondContact CB-O 3.3Å; Y33-V51 PolarHBondContact N-O 2.96Å; K36-V51 HydrophobicContact CB-CB 4.34Å; K36-V51 HydrophobicContact CB-CG1 4.1Å; K36-V51 HydrophobicContact CB-CG2 4.25Å; W40-V51 HydrophobicContact CB-CG1 4.36Å; W40-V51 HydrophobicContact CB-CG2 4.33Å; W40-V51 HydrophobicContact CD2-CG2 4.47Å; W40-V51 HydrophobicContact CE3-CG2 3.76Å; W40-V51 HydrophobicContact CZ3-CG2 4.45Å; L48-V51 PolarHBondContact O-N 3.34Å; L48-V51 VanDerWaalsContact O-N 3.12Å; V51-L89 HydrophobicContact CG1-CD1 4.1Å; V51-L89 HydrophobicContact CG1-CD2 3.87Å
52L88.7Confident85.8Confident4 Ų465.1 Ų65.12%0.02135%0.348CS..BIsolated β-bridgetrans-90.2136.7-178.1-60.8176.8000110.4I30 L48 T54 C85 L89I30-L52 HydrophobicContact CD1-CD2 3.98Å; L48-L52 HydrophobicContact CB-CD1 4.4Å; L48-L52 HydrophobicContact CD2-CD1 4.14Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 PolarHBondContact O-N 3.19Å; L52-T54 VanDerWaalsContact C-N 3.35Å; L52-C85 HydrophobicContact CD1-CB 3.69Å; L52-L89 HydrophobicContact CD2-CD1 4.22Å
53Q86.1Confident85.7Confident45 Ų4566.8 Ų66.821%0.2135%0.35CS..SBendtrans-78.5-26168.5-70.5-156.4-15.100112.2V16 A31 Y33V16-Q53 VanDerWaalsContact CG2-OE1 3.22Å; A31-Q53 HydrophobicContact CB-CB 4.47Å; A31-Q53 PolarHBondContact O-N 2.93Å; Y33-Q53 HydrophobicContact CD1-CG 4.01Å; Y33-Q53 VanDerWaalsContact CD1-NE2 3.33Å; Y33-Q53 HydrophobicContact CD2-CG 3.84Å; Y33-Q53 HydrophobicContact CE1-CG 3.83Å; Y33-Q53 HydrophobicContact CE2-CB 4.43Å; Y33-Q53 HydrophobicContact CE2-CG 3.65Å; Y33-Q53 HydrophobicContact CG-CG 4.02Å
54T87.5Confident85.7Confident49 Ų4960.3 Ų60.330%0.30133%0.334SS..  trans-152136.7-177.8-500000109.2L52 S56L52-T54 VanDerWaalsContact C-N 3.35Å; T54-S56 PolarHBondContact O-N 3.31Å
55H88.8Confident86Confident61 Ų6161.7 Ų61.728%0.28233%0.326SS..SBendtrans-78.433.8176.9-67.4-179.2000113.4D49 Q81D49-H55 IonicContact OD1-CE1 2.97Å; D49-H55 PolarHBondContact OD1-CE1 3.49Å; D49-H55 IonicContact OD1-ND1 3.69Å; D49-H55 IonicContact OD1-NE2 3.15Å; D49-H55 PolarHBondContact OD1-NE2 3.09Å; H55-Q81 VanDerWaalsContact O-CB 3.3Å; H55-Q81 WeakPolarHBondContact O-CB 3.32Å; H55-Q81 PolarHBondContact O-OE1 2.72Å
56S90.1Very high86.8Confident26 Ų2665 Ų6518%0.18234%0.34CS..  trans-124.9139.5-177.6-61.40000111.9T54 F58 Q81T54-S56 PolarHBondContact O-N 3.31Å; S56-F58 WeakPolarHBondContact O-CD2 3.34Å; S56-F58 VanDerWaalsContact O-CE2 3.27Å; S56-F58 WeakPolarHBondContact O-CE2 3.36Å; S56-Q81 VanDerWaalsContact CA-OE1 3.27Å; S56-Q81 PolarHBondContact OG-OE1 3.21Å; S56-Q81 VanDerWaalsContact OG-OE1 3.1Å
57V91.8Very high87.4Confident0 Ų057 Ų570%031%0.307CS..  trans-90.4129178.3-174.40000109.4F28 I30 A67 L72 I84 I88F28-V57 HydrophobicContact CB-CG1 3.89Å; F28-V57 HydrophobicContact CD1-CG1 3.87Å; F28-V57 HydrophobicContact CG-CG1 4.33Å; I30-V57 HydrophobicContact CG2-CG2 4.43Å; V57-A67 HydrophobicContact CB-CB 4.38Å; V57-A67 HydrophobicContact CG1-CB 4.17Å; V57-A67 WeakPolarHBondContact O-CB 3.49Å; V57-A67 PolarHBondContact O-N 2.83Å; V57-L72 HydrophobicContact CB-CD2 4.11Å; V57-L72 HydrophobicContact CG1-CD2 3.99Å; V57-L72 HydrophobicContact CG2-CD2 4.4Å; V57-I84 HydrophobicContact CG2-CB 4.09Å; V57-I84 HydrophobicContact CG2-CG2 3.77Å; V57-I88 HydrophobicContact CG1-CD1 3.78Å; V57-I88 HydrophobicContact CG2-CD1 4.35Å
58F91.8Very high87.6Confident11 Ų1158.6 Ų58.65%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-103.3149.8178.8-61.6-87.9000110.6F28 E29 A31 S56 V61 Q65 F66F28-F58 CarbonylContact C-O 3.57Å; F28-F58 WeakPolarHBondContact CA-O 3.46Å; E29-F58 PolarHBondContact N-O 3.48Å; E29-F58 WeakPolarHBondContact O-CA 3.42Å; E29-F58 WeakPolarHBondContact O-CB 3.36Å; E29-F58 PolarHBondContact O-N 2.78Å; A31-F58 HydrophobicContact CB-CE2 4.33Å; S56-F58 WeakPolarHBondContact O-CD2 3.34Å; S56-F58 VanDerWaalsContact O-CE2 3.27Å; S56-F58 WeakPolarHBondContact O-CE2 3.36Å; F58-V61 HydrophobicContact CB-CG2 3.8Å; F58-V61 HydrophobicContact CD2-CG2 3.86Å; F58-V61 HydrophobicContact CG-CG2 3.98Å; F58-Q65 CarbonylContact C-O 3.5Å; F58-Q65 VanDerWaalsContact CA-O 3.25Å; F58-Q65 WeakPolarHBondContact CA-O 3.42Å; F58-Q65 WeakPolarHBondContact CB-O 3.32Å; F58-F66 AromaticContact CD1-CD1 3.95Å; F58-F66 HydrophobicContact CD1-CD1 3.95Å; F58-F66 HydrophobicContact CD1-CE1 4.08Å; F58-F66 HydrophobicContact CD1-CG 4.36Å; F58-F66 AromaticContact CE1-CD1 3.63Å; F58-F66 HydrophobicContact CE1-CD1 3.63Å; F58-F66 AromaticContact CE1-CE1 3.28Å; F58-F66 HydrophobicContact CE1-CE1 3.28Å; F58-F66 HydrophobicContact CE1-CE2 4.22Å; F58-F66 HydrophobicContact CE1-CG 4.25Å; F58-F66 AromaticContact CE1-CZ 3.61Å; F58-F66 HydrophobicContact CE1-CZ 3.61Å; F58-F66 HydrophobicContact CZ-CD1 4.18Å; F58-F66 AromaticContact CZ-CE1 3.57Å; F58-F66 HydrophobicContact CZ-CE1 3.57Å; F58-F66 HydrophobicContact CZ-CZ 4.09Å
59T91.8Very high87.9Confident50 Ų5065 Ų6531%0.30733%0.331SS..EExtended strand (participates in β ladder)trans-79.7-31.2162.4-22.50000110.2R27 Q65 F66R27-T59 WeakPolarHBondContact O-CG2 3.1Å; T59-Q65 PolarHBondContact N-O 3.24Å; T59-F66 PolarHBondContact OG1-O 2.87Å
60N88.1Confident88.2Confident39 Ų3966.6 Ų66.621%0.20934%0.335CS..EExtended strand (participates in β ladder)trans-152.7113.5175.4-169.8-58.9000110.5E29 S62 K63 G64 Q65E29-N60 WeakPolarHBondContact OE2-CA 3.46Å; N60-S62 WeakPolarHBondContact OD1-CB 3.32Å; N60-S62 PolarHBondContact OD1-N 2.71Å; N60-S62 VanDerWaalsContact OD1-N 3.08Å; N60-K63 HydrophobicContact CB-CB 4.24Å; N60-K63 PolarHBondContact O-N 2.98Å; N60-K63 PolarHBondContact OD1-N 2.79Å; N60-G64 PolarHBondContact O-N 2.79Å; N60-G64 VanDerWaalsContact O-N 3.16Å; N60-Q65 HydrophobicContact CB-CB 4.48Å; N60-Q65 PolarHBondContact N-O 3.49Å; N60-Q65 PolarHBondContact O-N 3.36Å
61V86.3Confident88.4Confident15 Ų1563.5 Ų63.59%0.09132%0.321CS..THydrogen-bonded Turntrans-68.8-41.1-178.3174.50000111.3L13 V16 V18 E29 A31 F58 K63 G64L13-V61 HydrophobicContact CD1-CG1 4.42Å; V16-V61 HydrophobicContact CG1-CG1 4.31Å; V18-V61 HydrophobicContact CG1-CB 4.28Å; V18-V61 HydrophobicContact CG1-CG2 4.03Å; V18-V61 HydrophobicContact CG2-CB 3.94Å; V18-V61 HydrophobicContact CG2-CG1 3.95Å; V18-V61 HydrophobicContact CG2-CG2 4.34Å; E29-V61 HydrophobicContact CB-CG2 3.68Å; E29-V61 PolarHBondContact OE2-N 2.76Å; A31-V61 HydrophobicContact CB-CG1 4.14Å; F58-V61 HydrophobicContact CB-CG2 3.8Å; F58-V61 HydrophobicContact CD2-CG2 3.86Å; F58-V61 HydrophobicContact CG-CG2 3.98Å; V61-K63 PolarHBondContact O-N 3.39Å; V61-G64 PolarHBondContact O-N 3.05Å; V61-G64 VanDerWaalsContact O-N 3.07Å
62S80.6Confident88.5Confident110 Ų11063.5 Ų63.577%0.76932%0.321SS*.THydrogen-bonded Turntrans-62.3-29.3-179.6-54.60000113.5N60N60-S62 WeakPolarHBondContact OD1-CB 3.32Å; N60-S62 PolarHBondContact OD1-N 2.71Å; N60-S62 VanDerWaalsContact OD1-N 3.08Å
63K82.2Confident88.6Confident153 Ų15367.6 Ų67.667%0.66534%0.342SS*.THydrogen-bonded Turntrans-96.4-4.1177.2-63.8-175.9179.9-1760113.6N60 V61 Q65N60-K63 HydrophobicContact CB-CB 4.24Å; N60-K63 PolarHBondContact O-N 2.98Å; N60-K63 PolarHBondContact OD1-N 2.79Å; V61-K63 PolarHBondContact O-N 3.39Å; K63-Q65 VanDerWaalsContact C-N 3.25Å; K63-Q65 HydrophobicContact CB-CG 4.01Å; K63-Q65 PolarHBondContact O-N 3.16Å
64G83.8Confident88.8Confident42 Ų4269.3 Ų69.343%0.43337%0.365SS..THydrogen-bonded Turntrans61.730.2-174.700000113.7N60 V61N60-G64 PolarHBondContact O-N 2.79Å; N60-G64 VanDerWaalsContact O-N 3.16Å; V61-G64 PolarHBondContact O-N 3.05Å; V61-G64 VanDerWaalsContact O-N 3.07Å
65Q88Confident89Confident106 Ų10667.9 Ų67.950%0.49536%0.356SS..EExtended strand (participates in β ladder)trans-90.3115.9-179.2-71.9-176.5-10.800110.4F58 T59 N60 K63F58-Q65 CarbonylContact C-O 3.5Å; F58-Q65 VanDerWaalsContact CA-O 3.25Å; F58-Q65 WeakPolarHBondContact CA-O 3.42Å; F58-Q65 WeakPolarHBondContact CB-O 3.32Å; T59-Q65 PolarHBondContact N-O 3.24Å; N60-Q65 HydrophobicContact CB-CB 4.48Å; N60-Q65 PolarHBondContact N-O 3.49Å; N60-Q65 PolarHBondContact O-N 3.36Å; K63-Q65 VanDerWaalsContact C-N 3.25Å; K63-Q65 HydrophobicContact CB-CG 4.01Å; K63-Q65 PolarHBondContact O-N 3.16Å
66F90.5Very high89Confident122 Ų12266.3 Ų66.354%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-74.3145.9176.5-65.3-82.8000112.3F58 T59F58-F66 AromaticContact CD1-CD1 3.95Å; F58-F66 HydrophobicContact CD1-CD1 3.95Å; F58-F66 HydrophobicContact CD1-CE1 4.08Å; F58-F66 HydrophobicContact CD1-CG 4.36Å; F58-F66 AromaticContact CE1-CD1 3.63Å; F58-F66 HydrophobicContact CE1-CD1 3.63Å; F58-F66 AromaticContact CE1-CE1 3.28Å; F58-F66 HydrophobicContact CE1-CE1 3.28Å; F58-F66 HydrophobicContact CE1-CE2 4.22Å; F58-F66 HydrophobicContact CE1-CG 4.25Å; F58-F66 AromaticContact CE1-CZ 3.61Å; F58-F66 HydrophobicContact CE1-CZ 3.61Å; F58-F66 HydrophobicContact CZ-CD1 4.18Å; F58-F66 AromaticContact CZ-CE1 3.57Å; F58-F66 HydrophobicContact CZ-CE1 3.57Å; F58-F66 HydrophobicContact CZ-CZ 4.09Å; T59-F66 PolarHBondContact OG1-O 2.87Å
67A90.6Very high88.9Confident9 Ų968.2 Ų68.27%0.07437%0.372CS..PPolyproline II helixtrans-70.2138.8171.800000110.4F28 V57 L72F28-A67 HydrophobicContact CD1-CB 3.94Å; F28-A67 HydrophobicContact CE1-CB 4.02Å; V57-A67 HydrophobicContact CB-CB 4.38Å; V57-A67 HydrophobicContact CG1-CB 4.17Å; V57-A67 WeakPolarHBondContact O-CB 3.49Å; V57-A67 PolarHBondContact O-N 2.83Å; A67-L72 HydrophobicContact CB-CD1 4.29Å; A67-L72 HydrophobicContact CB-CD2 3.93Å; A67-L72 HydrophobicContact CB-CG 4.08Å
68K91.4Very high88.8Confident138 Ų13870.4 Ų70.460%0.639%0.385SS*.PPolyproline II helixtrans-70.9144.7176.1-66.5-176.2177.6-174.40110.3E70 D71 L72K68-E70 VanDerWaalsContact C-N 3.27Å; K68-E70 PolarHBondContact O-N 3.34Å; K68-D71 HydrophobicContact CB-CB 4.4Å; K68-D71 WeakPolarHBondContact O-CB 3.27Å; K68-D71 PolarHBondContact O-N 2.87Å; K68-L72 PolarHBondContact O-N 3.2Å; K68-L72 VanDerWaalsContact O-N 3.13Å
69R89.8Confident88.6Confident170 Ų17072.8 Ų72.864%0.64240%0.399SS*.Hα-helixtrans-58.6-38.8178.3-162178.5-176.3140.7-8.9112.2D71 L72 L73 D79R69-D71 VanDerWaalsContact C-N 3.31Å; R69-D71 PolarHBondContact O-N 3.27Å; R69-L72 PolarHBondContact O-N 3.04Å; R69-L73 PolarHBondContact O-N 3.17Å; R69-D79 HydrophobicContact CG-CB 3.85Å; R69-D79 IonicContact CZ-OD2 2.77Å; R69-D79 IonicContact NE-OD2 2.6Å; R69-D79 PolarHBondContact NE-OD2 2.77Å; R69-D79 IonicContact NH2-OD2 2.6Å; R69-D79 PolarHBondContact NH2-OD2 3.12Å
70E91Very high88.6Confident151 Ų15174 Ų7471%0.70640%0.403SS*.Hα-helixtrans-58.9-40.8175.1-63.9172.2-177.700112.4K68 A74K68-E70 VanDerWaalsContact C-N 3.27Å; K68-E70 PolarHBondContact O-N 3.34Å; E70-A74 VanDerWaalsContact O-CB 3.31Å; E70-A74 WeakPolarHBondContact O-CB 3.27Å; E70-A74 PolarHBondContact O-N 3.32Å
71D90.4Very high88.7Confident32 Ų3275.1 Ų75.117%0.17141%0.408CS..Hα-helixtrans-70.4-38.3-179.6-65.3-7.1000111.4K26 F28 K68 R69 V75K26-D71 HydrophobicContact CD-CB 3.81Å; K26-D71 IonicContact NZ-OD1 3.76Å; K26-D71 PolarHBondContact NZ-OD1 3.36Å; K26-D71 IonicContact NZ-OD2 3.39Å; F28-D71 HydrophobicContact CE1-CB 4.33Å; F28-D71 HydrophobicContact CZ-CB 4.34Å; K68-D71 HydrophobicContact CB-CB 4.4Å; K68-D71 WeakPolarHBondContact O-CB 3.27Å; K68-D71 PolarHBondContact O-N 2.87Å; R69-D71 VanDerWaalsContact C-N 3.31Å; R69-D71 PolarHBondContact O-N 3.27Å; D71-V75 WeakPolarHBondContact O-CB 3.4Å; D71-V75 VanDerWaalsContact O-CG2 3.28Å; D71-V75 WeakPolarHBondContact O-CG2 3.39Å; D71-V75 PolarHBondContact O-N 2.95Å; D71-V75 VanDerWaalsContact O-N 3.16Å
72L89.3Confident88.9Confident1 Ų176.8 Ų76.81%0.00542%0.418CS..Hα-helixtrans-65.5-47.2176.1-66.1172.3000110.6F28 V57 A67 K68 R69 A74 V75 F76 T78 Q81 I84F28-L72 HydrophobicContact CD1-CD2 3.81Å; F28-L72 HydrophobicContact CE1-CD2 3.66Å; F28-L72 HydrophobicContact CE1-CG 4.45Å; V57-L72 HydrophobicContact CB-CD2 4.11Å; V57-L72 HydrophobicContact CG1-CD2 3.99Å; V57-L72 HydrophobicContact CG2-CD2 4.4Å; A67-L72 HydrophobicContact CB-CD1 4.29Å; A67-L72 HydrophobicContact CB-CD2 3.93Å; A67-L72 HydrophobicContact CB-CG 4.08Å; K68-L72 PolarHBondContact O-N 3.2Å; K68-L72 VanDerWaalsContact O-N 3.13Å; R69-L72 PolarHBondContact O-N 3.04Å; L72-A74 PolarHBondContact O-N 2.92Å; L72-V75 PolarHBondContact O-N 2.87Å; L72-F76 HydrophobicContact CD2-CD2 4.23Å; L72-F76 HydrophobicContact CD2-CE2 4.3Å; L72-F76 WeakPolarHBondContact O-CB 3.38Å; L72-F76 PolarHBondContact O-N 3.24Å; L72-T78 CarbonylContact C-O 3.45Å; L72-Q81 HydrophobicContact CD1-CG 4.31Å; L72-I84 HydrophobicContact CB-CD1 3.8Å; L72-I84 HydrophobicContact CD1-CD1 4.26Å; L72-I84 HydrophobicContact CD2-CD1 3.8Å; L72-I84 HydrophobicContact CD2-CG2 4.25Å; L72-I84 HydrophobicContact CG-CD1 4.15Å
73L90.8Very high89.3Confident89 Ų8973.3 Ų73.347%0.46640%0.396SS..Hα-helixtrans-61.6-44.7178-131.596.1000111.7R69 V75 G77 D79R69-L73 PolarHBondContact O-N 3.17Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V75 PolarHBondContact O-N 2.88Å; L73-G77 WeakPolarHBondContact O-CA 3.46Å; L73-G77 PolarHBondContact O-N 3.44Å; L73-D79 HydrophobicContact CD1-CB 3.58Å
74A91Very high89.8Confident82 Ų8266 Ų6668%0.67836%0.364SS*.Hα-helixtrans-65.6-32.2-178.800000113.3E70 L72E70-A74 VanDerWaalsContact O-CB 3.31Å; E70-A74 WeakPolarHBondContact O-CB 3.27Å; E70-A74 PolarHBondContact O-N 3.32Å; L72-A74 PolarHBondContact O-N 2.92Å
75V90.1Very high90.1Very high19 Ų1964 Ų6412%0.11534%0.343CS..Hα-helixtrans-98.3-37.7-173.2175.20000113.1K23 F28 D71 L72 L73K23-V75 HydrophobicContact CB-CG1 3.59Å; K23-V75 HydrophobicContact CD-CG1 3.63Å; K23-V75 WeakPolarHBondContact CE-O 3.46Å; K23-V75 HydrophobicContact CG-CG1 3.62Å; K23-V75 PolarHBondContact NZ-O 3.17Å; F28-V75 HydrophobicContact CE2-CB 4.08Å; F28-V75 HydrophobicContact CE2-CG1 3.79Å; F28-V75 HydrophobicContact CE2-CG2 4.02Å; F28-V75 HydrophobicContact CZ-CB 4.09Å; F28-V75 HydrophobicContact CZ-CG1 4.3Å; F28-V75 HydrophobicContact CZ-CG2 3.95Å; D71-V75 WeakPolarHBondContact O-CB 3.4Å; D71-V75 VanDerWaalsContact O-CG2 3.28Å; D71-V75 WeakPolarHBondContact O-CG2 3.39Å; D71-V75 PolarHBondContact O-N 2.95Å; D71-V75 VanDerWaalsContact O-N 3.16Å; L72-V75 PolarHBondContact O-N 2.87Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V75 PolarHBondContact O-N 2.88Å
76F88.7Confident90.3Very high27 Ų2763.8 Ų63.812%0.11834%0.341CS..Hα-helixtrans-106-14.9-176.8-64.6-83.8000113.3M21 F28 L72 T78 I84 I87 I88M21-F76 HydrophobicContact SD-CE1 3.97Å; M21-F76 HydrophobicContact SD-CZ 4.15Å; F28-F76 HydrophobicContact CD1-CE2 4.18Å; F28-F76 AromaticContact CD2-CE2 3.78Å; F28-F76 HydrophobicContact CD2-CE2 3.78Å; F28-F76 HydrophobicContact CD2-CZ 4.11Å; F28-F76 HydrophobicContact CE1-CE2 4.27Å; F28-F76 AromaticContact CE2-CE2 3.89Å; F28-F76 HydrophobicContact CE2-CE2 3.89Å; F28-F76 AromaticContact CG-CE2 3.93Å; F28-F76 HydrophobicContact CG-CE2 3.93Å; F28-F76 HydrophobicContact CG-CZ 4.34Å; F28-F76 HydrophobicContact CZ-CE2 4.12Å; L72-F76 HydrophobicContact CD2-CD2 4.23Å; L72-F76 HydrophobicContact CD2-CE2 4.3Å; L72-F76 WeakPolarHBondContact O-CB 3.38Å; L72-F76 PolarHBondContact O-N 3.24Å; F76-T78 HydrophobicContact CB-CG2 4.22Å; F76-T78 PolarHBondContact O-N 3.36Å; F76-I84 HydrophobicContact CB-CD1 4.11Å; F76-I84 HydrophobicContact CB-CG1 3.95Å; F76-I84 HydrophobicContact CD1-CG1 4.44Å; F76-I84 HydrophobicContact CD1-CG2 4.02Å; F76-I84 HydrophobicContact CD2-CD1 4.16Å; F76-I84 HydrophobicContact CD2-CG1 4.27Å; F76-I84 HydrophobicContact CD2-CG2 3.73Å; F76-I84 HydrophobicContact CE1-CG2 3.93Å; F76-I84 HydrophobicContact CE2-CG2 3.63Å; F76-I84 HydrophobicContact CG-CD1 4.25Å; F76-I84 HydrophobicContact CG-CG1 3.98Å; F76-I84 HydrophobicContact CG-CG2 3.93Å; F76-I84 HydrophobicContact CZ-CG2 3.73Å; F76-I87 HydrophobicContact CD1-CD1 4.28Å; F76-I87 HydrophobicContact CD1-CG2 4.34Å; F76-I87 HydrophobicContact CE1-CG2 4.05Å; F76-I88 HydrophobicContact CE1-CG1 4.36Å; F76-I88 HydrophobicContact CZ-CD1 4.15Å; F76-I88 HydrophobicContact CZ-CG1 4.04Å
77G88.4Confident90.3Very high67 Ų6761 Ų6169%0.69133%0.33SS*.SBendtrans73.77.8-176.800000113.9L73L73-G77 WeakPolarHBondContact O-CA 3.46Å; L73-G77 PolarHBondContact O-N 3.44Å
78T90.9Very high90.3Very high45 Ų4560.5 Ų60.528%0.27633%0.327SS..  trans-143.4155.2179.5-173.60000109.6L72 F76 D80 I84L72-T78 CarbonylContact C-O 3.45Å; F76-T78 HydrophobicContact CB-CG2 4.22Å; F76-T78 PolarHBondContact O-N 3.36Å; T78-D80 PolarHBondContact OG1-N 2.83Å; T78-I84 HydrophobicContact CG2-CD1 4.07Å; T78-I84 HydrophobicContact CG2-CG1 3.73Å
79D87.5Confident90.2Very high62 Ų6254 Ų5433%0.33230%0.298SS..  trans-103.5-3.2170.652.18000113.4R69 L73 Q81R69-D79 HydrophobicContact CG-CB 3.85Å; R69-D79 IonicContact CZ-OD2 2.77Å; R69-D79 IonicContact NE-OD2 2.6Å; R69-D79 PolarHBondContact NE-OD2 2.77Å; R69-D79 IonicContact NH2-OD2 2.6Å; R69-D79 PolarHBondContact NH2-OD2 3.12Å; L73-D79 HydrophobicContact CD1-CB 3.58Å; D79-Q81 PolarHBondContact O-N 2.97Å
80D91.1Very high90.1Very high75 Ų7550.1 Ų50.140%0.40129%0.291SS..  trans-69.1102.5176.7-177.910.9000110.2T78 T82 A83 I84T78-D80 PolarHBondContact OG1-N 2.83Å; D80-T82 PolarHBondContact O-N 2.68Å; D80-T82 WeakPolarHBondContact OD1-CB 3.25Å; D80-T82 PolarHBondContact OD1-N 2.99Å; D80-T82 VanDerWaalsContact OD1-N 3.14Å; D80-T82 PolarHBondContact OD1-OG1 3.08Å; D80-T82 VanDerWaalsContact OD1-OG1 3.1Å; D80-A83 HydrophobicContact CB-CB 4.1Å; D80-A83 PolarHBondContact O-N 3.07Å; D80-A83 WeakPolarHBondContact OD2-CB 3.27Å; D80-I84 VanDerWaalsContact O-CG1 3.27Å; D80-I84 WeakPolarHBondContact O-CG1 3.25Å; D80-I84 PolarHBondContact O-N 3.22Å; D80-I84 VanDerWaalsContact O-N 3.08Å
81Q89.5Confident90Very high63 Ų6350.7 Ų50.729%0.29429%0.291SS..Hα-helixtrans-59.9-34.7-177.8-64.3-171.5-4.300111.5H55 S56 L72 D79 I84 C85H55-Q81 VanDerWaalsContact O-CB 3.3Å; H55-Q81 WeakPolarHBondContact O-CB 3.32Å; H55-Q81 PolarHBondContact O-OE1 2.72Å; S56-Q81 VanDerWaalsContact CA-OE1 3.27Å; S56-Q81 PolarHBondContact OG-OE1 3.21Å; S56-Q81 VanDerWaalsContact OG-OE1 3.1Å; L72-Q81 HydrophobicContact CD1-CG 4.31Å; D79-Q81 PolarHBondContact O-N 2.97Å; Q81-I84 PolarHBondContact O-N 3.01Å; Q81-C85 WeakPolarHBondContact O-CB 3.39Å; Q81-C85 PolarHBondContact O-N 3.01Å; Q81-C85 PolarHBondContact O-SG 2.74Å
82T90.7Very high89.9Confident50 Ų5049.5 Ų49.531%0.30729%0.286SS..Hα-helixtrans-65.7-46.4-178.8-28.50000110.9L48 D80 I84 C85 K86L48-T82 HydrophobicContact CD1-CG2 4.3Å; D80-T82 PolarHBondContact O-N 2.68Å; D80-T82 WeakPolarHBondContact OD1-CB 3.25Å; D80-T82 PolarHBondContact OD1-N 2.99Å; D80-T82 VanDerWaalsContact OD1-N 3.14Å; D80-T82 PolarHBondContact OD1-OG1 3.08Å; D80-T82 VanDerWaalsContact OD1-OG1 3.1Å; T82-I84 VanDerWaalsContact C-N 3.33Å; T82-I84 PolarHBondContact O-N 3.01Å; T82-C85 WeakPolarHBondContact O-CB 3.43Å; T82-C85 PolarHBondContact O-N 2.77Å; T82-K86 PolarHBondContact O-N 2.6Å; T82-K86 VanDerWaalsContact O-N 3.15Å
83A90.4Very high89.8Confident37 Ų3756.7 Ų56.731%0.30632%0.319SS..Hα-helixtrans-63-40.3175.400000111.9D80 K86 I87D80-A83 HydrophobicContact CB-CB 4.1Å; D80-A83 PolarHBondContact O-N 3.07Å; D80-A83 WeakPolarHBondContact OD2-CB 3.27Å; A83-K86 WeakPolarHBondContact O-CB 3.49Å; A83-K86 PolarHBondContact O-N 3.17Å; A83-I87 WeakPolarHBondContact O-CG1 3.42Å; A83-I87 PolarHBondContact O-N 3.32Å; A83-I87 VanDerWaalsContact O-N 3.15Å
84I91.3Very high89.6Confident0 Ų054.9 Ų54.90%031%0.31CS..Hα-helixtrans-66.1-42.3177.3-62.4168.7000110.9V57 L72 F76 T78 D80 Q81 T82 K86 I87 I88V57-I84 HydrophobicContact CG2-CB 4.09Å; V57-I84 HydrophobicContact CG2-CG2 3.77Å; L72-I84 HydrophobicContact CB-CD1 3.8Å; L72-I84 HydrophobicContact CD1-CD1 4.26Å; L72-I84 HydrophobicContact CD2-CD1 3.8Å; L72-I84 HydrophobicContact CD2-CG2 4.25Å; L72-I84 HydrophobicContact CG-CD1 4.15Å; F76-I84 HydrophobicContact CB-CD1 4.11Å; F76-I84 HydrophobicContact CB-CG1 3.95Å; F76-I84 HydrophobicContact CD1-CG1 4.44Å; F76-I84 HydrophobicContact CD1-CG2 4.02Å; F76-I84 HydrophobicContact CD2-CD1 4.16Å; F76-I84 HydrophobicContact CD2-CG1 4.27Å; F76-I84 HydrophobicContact CD2-CG2 3.73Å; F76-I84 HydrophobicContact CE1-CG2 3.93Å; F76-I84 HydrophobicContact CE2-CG2 3.63Å; F76-I84 HydrophobicContact CG-CD1 4.25Å; F76-I84 HydrophobicContact CG-CG1 3.98Å; F76-I84 HydrophobicContact CG-CG2 3.93Å; F76-I84 HydrophobicContact CZ-CG2 3.73Å; T78-I84 HydrophobicContact CG2-CD1 4.07Å; T78-I84 HydrophobicContact CG2-CG1 3.73Å; D80-I84 VanDerWaalsContact O-CG1 3.27Å; D80-I84 WeakPolarHBondContact O-CG1 3.25Å; D80-I84 PolarHBondContact O-N 3.22Å; D80-I84 VanDerWaalsContact O-N 3.08Å; Q81-I84 PolarHBondContact O-N 3.01Å; T82-I84 VanDerWaalsContact C-N 3.33Å; T82-I84 PolarHBondContact O-N 3.01Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 3.5Å; I84-I87 PolarHBondContact O-N 3.38Å; I84-I87 VanDerWaalsContact O-N 3.13Å; I84-I88 HydrophobicContact CG2-CD1 3.73Å; I84-I88 HydrophobicContact CG2-CG1 4.21Å; I84-I88 WeakPolarHBondContact O-CG1 3.47Å; I84-I88 PolarHBondContact O-N 3.01Å
85C91.6Very high89Confident0 Ų055.6 Ų55.60%030%0.3CS..Hα-helixtrans-55.4-44.3174.8-74.20000111I30 L52 Q81 T82 I87 I88 L89I30-C85 HydrophobicContact CG2-CB 4.37Å; L52-C85 HydrophobicContact CD1-CB 3.69Å; Q81-C85 WeakPolarHBondContact O-CB 3.39Å; Q81-C85 PolarHBondContact O-N 3.01Å; Q81-C85 PolarHBondContact O-SG 2.74Å; T82-C85 WeakPolarHBondContact O-CB 3.43Å; T82-C85 PolarHBondContact O-N 2.77Å; C85-I87 PolarHBondContact O-N 2.91Å; C85-I88 PolarHBondContact O-N 3.25Å; C85-L89 VanDerWaalsContact O-CB 3.32Å; C85-L89 WeakPolarHBondContact O-CB 3.46Å; C85-L89 PolarHBondContact O-N 3.4Å
86K90.8Very high88.2Confident101 Ų10157.8 Ų57.844%0.43931%0.312SS..Hα-helixtrans-60.2-44.1176.4-168.1174.5-177173.50112.5W40 T82 A83 I84 I88 L89 D90W40-K86 HydrophobicContact CZ2-CG 4.27Å; T82-K86 PolarHBondContact O-N 2.6Å; T82-K86 VanDerWaalsContact O-N 3.15Å; A83-K86 WeakPolarHBondContact O-CB 3.49Å; A83-K86 PolarHBondContact O-N 3.17Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 3.5Å; K86-I88 PolarHBondContact O-N 3.48Å; K86-L89 PolarHBondContact O-N 3.43Å; K86-D90 PolarHBondContact O-N 3.36Å; K86-D90 VanDerWaalsContact O-N 3.09Å
87I90.7Very high87.4Confident62 Ų6259.2 Ų59.232%0.31833%0.326SS..Hα-helixtrans-62.2-43.7176.6-63.8166.8000111.2M21 F76 A83 I84 C85 L89 D90 K91M21-I87 HydrophobicContact CE-CG2 4.37Å; M21-I87 HydrophobicContact SD-CG2 4.3Å; F76-I87 HydrophobicContact CD1-CD1 4.28Å; F76-I87 HydrophobicContact CD1-CG2 4.34Å; F76-I87 HydrophobicContact CE1-CG2 4.05Å; A83-I87 WeakPolarHBondContact O-CG1 3.42Å; A83-I87 PolarHBondContact O-N 3.32Å; A83-I87 VanDerWaalsContact O-N 3.15Å; I84-I87 PolarHBondContact O-N 3.38Å; I84-I87 VanDerWaalsContact O-N 3.13Å; C85-I87 PolarHBondContact O-N 2.91Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-D90 PolarHBondContact O-N 3.3Å; I87-K91 WeakPolarHBondContact O-CB 3.43Å; I87-K91 PolarHBondContact O-N 3.07Å
88I91.8Very high86.7Confident0 Ų063.3 Ų63.30%033%0.327CS..Hα-helixtrans-66.8-37.9178.8-66.2171.9000110.6V19 M21 F28 I30 V57 F76 I84 C85 K86 G92V19-I88 HydrophobicContact CB-CG2 4.49Å; V19-I88 HydrophobicContact CG1-CG2 4.08Å; V19-I88 WeakPolarHBondContact CG1-O 3.27Å; M21-I88 HydrophobicContact CB-CB 4.43Å; M21-I88 HydrophobicContact CB-CG1 4.02Å; M21-I88 HydrophobicContact CB-CG2 4.03Å; M21-I88 HydrophobicContact SD-CG1 3.95Å; F28-I88 HydrophobicContact CB-CD1 3.73Å; I30-I88 HydrophobicContact CD1-CB 4.09Å; I30-I88 HydrophobicContact CD1-CG2 3.74Å; I30-I88 HydrophobicContact CG1-CG2 3.76Å; I30-I88 HydrophobicContact CG2-CB 4.34Å; I30-I88 HydrophobicContact CG2-CD1 4.01Å; I30-I88 HydrophobicContact CG2-CG2 4.11Å; V57-I88 HydrophobicContact CG1-CD1 3.78Å; V57-I88 HydrophobicContact CG2-CD1 4.35Å; F76-I88 HydrophobicContact CE1-CG1 4.36Å; F76-I88 HydrophobicContact CZ-CD1 4.15Å; F76-I88 HydrophobicContact CZ-CG1 4.04Å; I84-I88 HydrophobicContact CG2-CD1 3.73Å; I84-I88 HydrophobicContact CG2-CG1 4.21Å; I84-I88 WeakPolarHBondContact O-CG1 3.47Å; I84-I88 PolarHBondContact O-N 3.01Å; C85-I88 PolarHBondContact O-N 3.25Å; K86-I88 PolarHBondContact O-N 3.48Å; I88-G92 WeakPolarHBondContact O-CA 3.43Å; I88-G92 PolarHBondContact O-N 3.34Å
89L89.2Confident86.1Confident0 Ų069.5 Ų69.50%035%0.35CS..Hα-helixtrans-63.9-42.3179.1-155.673.4000111.4V19 I30 C32 V37 W40 L48 V51 L52 C85 K86 I87V19-L89 HydrophobicContact CG2-CD1 4.33Å; I30-L89 HydrophobicContact CD1-CB 4.08Å; I30-L89 HydrophobicContact CD1-CD1 3.59Å; I30-L89 HydrophobicContact CD1-CG 4.46Å; C32-L89 VanDerWaalsContact SG-CD1 3.56Å; V37-L89 HydrophobicContact CG1-CD1 4.48Å; W40-L89 HydrophobicContact CB-CD2 4.19Å; W40-L89 HydrophobicContact CD2-CD2 3.56Å; W40-L89 HydrophobicContact CE3-CD2 4.36Å; W40-L89 HydrophobicContact CG-CD2 3.43Å; W40-L89 VanDerWaalsContact CG-CD2 3.43Å; W40-L89 HydrophobicContact CG-CG 4.17Å; W40-L89 HydrophobicContact CZ2-CD2 4.33Å; L48-L89 HydrophobicContact CD2-CD2 4.37Å; V51-L89 HydrophobicContact CG1-CD1 4.1Å; V51-L89 HydrophobicContact CG1-CD2 3.87Å; L52-L89 HydrophobicContact CD2-CD1 4.22Å; C85-L89 VanDerWaalsContact O-CB 3.32Å; C85-L89 WeakPolarHBondContact O-CB 3.46Å; C85-L89 PolarHBondContact O-N 3.4Å; K86-L89 PolarHBondContact O-N 3.43Å; I87-L89 VanDerWaalsContact C-N 3.34Å
90D87.6Confident85.6Confident90 Ų9070.2 Ų70.248%0.48135%0.352SS..Hα-helixtrans-77.3-45-178.9-74-10.1000113.2W40 K86 I87W40-D90 PolarHBondContact NE1-OD1 2.84Å; K86-D90 PolarHBondContact O-N 3.36Å; K86-D90 VanDerWaalsContact O-N 3.09Å; I87-D90 PolarHBondContact O-N 3.3Å
91K89.2Confident85.1Confident163 Ų16374.1 Ų74.171%0.70936%0.361SS*.Hα-helixtrans-102.1-11.8-173.4-65.1-172.9178.4-178.80114.6M21 I87M21-K91 HydrophobicContact CE-CB 3.96Å; M21-K91 HydrophobicContact CE-CD 4.42Å; I87-K91 WeakPolarHBondContact O-CB 3.43Å; I87-K91 PolarHBondContact O-N 3.07Å
92G88.1Confident85Confident7 Ų775.1 Ų75.17%0.07237%0.368CS..SBendtrans-75.8170.8-178.500000113R20 R41 I88R20-G92 CarbonylContact O-C 3.59Å; R20-G92 VanDerWaalsContact O-CA 3.27Å; R20-G92 WeakPolarHBondContact O-CA 3.37Å; R41-G92 PolarHBondContact NH2-O 2.99Å; I88-G92 WeakPolarHBondContact O-CA 3.43Å; I88-G92 PolarHBondContact O-N 3.34Å
93E87.3Confident84.8Confident151 Ų15177.2 Ų77.271%0.70638%0.381SS*.EExtended strand (participates in β ladder)trans-99.1126.9170.6-71.8-177.3156.400109.5V19 R20 Q95V19-E93 WeakPolarHBondContact CA-O 3.26Å; R20-E93 PolarHBondContact N-O 3.18Å; R20-E93 PolarHBondContact O-N 3.02Å; E93-Q95 PolarHBondContact O-N 2.79Å
94L85.4Confident84.4Confident51 Ų5181.3 Ų81.327%0.26739%0.393SS..EExtended strand (participates in β ladder)trans-70121.6171.5175.864.8000108.5A17 V19 V37 V96A17-L94 HydrophobicContact CB-CD1 4.04Å; V19-L94 HydrophobicContact CG2-CD1 3.92Å; V37-L94 HydrophobicContact CB-CD1 4.26Å; V37-L94 HydrophobicContact CG1-CD1 4.12Å; V37-L94 HydrophobicContact CG1-CD2 4.46Å; V37-L94 HydrophobicContact CG2-CD1 4.19Å; L94-V96 HydrophobicContact CD2-CG2 4.26Å; L94-V96 HydrophobicContact CG-CG2 4.17Å; L94-V96 PolarHBondContact O-N 3.5Å
95Q79.4Confident84.3Confident98 Ų9883.5 Ų83.546%0.45841%0.405SS..EExtended strand (participates in β ladder)trans-81.697.9173.6-150.1-173.618.500108.5V18 E93V18-Q95 HydrophobicContact CB-CB 4.31Å; V18-Q95 VanDerWaalsContact O-CB 3.26Å; V18-Q95 WeakPolarHBondContact O-CB 3.31Å; V18-Q95 PolarHBondContact O-N 3.43Å; E93-Q95 PolarHBondContact O-N 2.79Å
96V72.8Confident84.2Confident64 Ų6489.1 Ų89.139%0.38843%0.431SS..  trans-79.3136.5177.8-164.10000108.7L94 E100 R101L94-V96 HydrophobicContact CD2-CG2 4.26Å; L94-V96 HydrophobicContact CG-CG2 4.17Å; L94-V96 PolarHBondContact O-N 3.5Å; V96-E100 HydrophobicContact CG1-CB 3.49Å; V96-E100 VanDerWaalsContact CG1-CB 3.49Å; V96-R101 HydrophobicContact CG1-CB 4.42Å
97S72.4Confident84.2Confident57 Ų5787.1 Ų87.140%0.39943%0.43SS..  trans-61.9150.5172.4179.50000110.2K99 E100 R101S97-K99 PolarHBondContact O-N 3.39Å; S97-E100 PolarHBondContact O-N 3.15Å; S97-E100 VanDerWaalsContact O-N 3.1Å; S97-R101 WeakPolarHBondContact O-CB 3.38Å; S97-R101 PolarHBondContact O-N 3.42Å
98E74Confident84.1Confident154 Ų15485.2 Ų85.272%0.7242%0.422SS*.Hα-helixtrans-57.4-39.3178.2-168.7170.2-157.100112R101 N102E98-R101 PolarHBondContact O-N 2.91Å; E98-N102 PolarHBondContact O-N 3.38Å; E98-N102 PolarHBondContact O-OD1 3.28Å
99K78Confident84.1Confident174 Ų17486.3 Ų86.376%0.75743%0.427SS*.Hα-helixtrans-62.8-45.7174.9-66.4-173.3178.8-175.20112.4S97 R101 N102 V103S97-K99 PolarHBondContact O-N 3.39Å; K99-R101 VanDerWaalsContact C-N 3.34Å; K99-N102 PolarHBondContact O-N 3.42Å; K99-V103 WeakPolarHBondContact O-CG2 3.46Å; K99-V103 PolarHBondContact O-N 3.2Å; K99-V103 VanDerWaalsContact O-N 3.07Å
100E76.9Confident84.2Confident78 Ų7891.3 Ų91.336%0.36445%0.449SS..Hα-helixtrans-66.9-38.1179-77.5168.8-165.600111K34 V96 S97 N102 V103 Q104K34-E100 IonicContact NZ-OE1 2.97Å; K34-E100 PolarHBondContact NZ-OE1 2.68Å; V96-E100 HydrophobicContact CG1-CB 3.49Å; V96-E100 VanDerWaalsContact CG1-CB 3.49Å; S97-E100 PolarHBondContact O-N 3.15Å; S97-E100 VanDerWaalsContact O-N 3.1Å; E100-N102 VanDerWaalsContact C-N 3.33Å; E100-N102 PolarHBondContact O-N 3.27Å; E100-V103 PolarHBondContact O-N 3.06Å; E100-Q104 WeakPolarHBondContact O-CB 3.14Å; E100-Q104 PolarHBondContact O-N 3.15Å
101R80.5Confident84.3Confident157 Ų15792 Ų9259%0.59245%0.449SS*.Hα-helixtrans-60.1-43.8174.4-176.9178.6178.1170.9-0.8111.1V96 S97 E98 K99 Q104 L105V96-R101 HydrophobicContact CG1-CB 4.42Å; S97-R101 WeakPolarHBondContact O-CB 3.38Å; S97-R101 PolarHBondContact O-N 3.42Å; E98-R101 PolarHBondContact O-N 2.91Å; K99-R101 VanDerWaalsContact C-N 3.34Å; R101-Q104 PolarHBondContact O-N 2.97Å; R101-L105 HydrophobicContact CG-CD1 4.04Å; R101-L105 HydrophobicContact CG-CG 4.48Å; R101-L105 WeakPolarHBondContact O-CB 3.22Å; R101-L105 VanDerWaalsContact O-CG 3.25Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 2.93Å
102N86.4Confident84.4Confident84 Ų8484.2 Ų84.245%0.44942%0.415SS..Hα-helixtrans-65.5-43.2178.2-70-6.8000111.7E98 K99 E100 Q104 L105 E106E98-N102 PolarHBondContact O-N 3.38Å; E98-N102 PolarHBondContact O-OD1 3.28Å; K99-N102 PolarHBondContact O-N 3.42Å; E100-N102 VanDerWaalsContact C-N 3.33Å; E100-N102 PolarHBondContact O-N 3.27Å; N102-Q104 VanDerWaalsContact C-N 3.34Å; N102-Q104 PolarHBondContact O-N 2.89Å; N102-L105 PolarHBondContact O-N 3.46Å; N102-E106 WeakPolarHBondContact O-CB 3.34Å; N102-E106 WeakPolarHBondContact O-CG 3.33Å; N102-E106 PolarHBondContact O-N 2.86Å
103V86.5Confident84.5Confident94 Ų9483.9 Ų83.957%0.5741%0.412SS*.Hα-helixtrans-61.5-42.7175.5173.70000111.4K99 E100 E106 S107K99-V103 WeakPolarHBondContact O-CG2 3.46Å; K99-V103 PolarHBondContact O-N 3.2Å; K99-V103 VanDerWaalsContact O-N 3.07Å; E100-V103 PolarHBondContact O-N 3.06Å; V103-E106 PolarHBondContact O-N 3.27Å; V103-S107 WeakPolarHBondContact O-CB 3.48Å; V103-S107 PolarHBondContact O-N 3.16Å; V103-S107 PolarHBondContact O-OG 3.35Å
104Q83.5Confident84.5Confident122 Ų12280.3 Ų80.357%0.5740%0.397SS*.Hα-helixtrans-61.7-46.3176.5-168.19439.500111E100 R101 N102 S107 S108E100-Q104 WeakPolarHBondContact O-CB 3.14Å; E100-Q104 PolarHBondContact O-N 3.15Å; R101-Q104 PolarHBondContact O-N 2.97Å; N102-Q104 VanDerWaalsContact C-N 3.34Å; N102-Q104 PolarHBondContact O-N 2.89Å; Q104-S107 PolarHBondContact O-N 2.78Å; Q104-S107 PolarHBondContact O-OG 2.88Å; Q104-S108 WeakPolarHBondContact O-CB 3.04Å; Q104-S108 PolarHBondContact O-N 3.36Å; Q104-S108 PolarHBondContact O-OG 3.41Å
105L87.8Confident84.6Confident46 Ų4679.4 Ų79.424%0.24139%0.393CS..Hα-helixtrans-64.7-44.2179.1-72.3172.5000111.8R101 N102 S108 F109 V145R101-L105 HydrophobicContact CG-CD1 4.04Å; R101-L105 HydrophobicContact CG-CG 4.48Å; R101-L105 WeakPolarHBondContact O-CB 3.22Å; R101-L105 VanDerWaalsContact O-CG 3.25Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 2.93Å; N102-L105 PolarHBondContact O-N 3.46Å; L105-S108 PolarHBondContact O-N 2.82Å; L105-F109 VanDerWaalsContact O-CB 3.28Å; L105-F109 WeakPolarHBondContact O-CB 3.22Å; L105-F109 PolarHBondContact O-N 3.33Å; L105-V145 HydrophobicContact CD2-CB 4.22Å; L105-V145 HydrophobicContact CD2-CG1 4.41Å
106E90.2Very high84.8Confident119 Ų11974.8 Ų74.856%0.55637%0.371SS*.Hα-helixtrans-62.5-44175.1-80-175.7174.200111.7N102 V103 S108 F109 K110N102-E106 WeakPolarHBondContact O-CB 3.34Å; N102-E106 WeakPolarHBondContact O-CG 3.33Å; N102-E106 PolarHBondContact O-N 2.86Å; V103-E106 PolarHBondContact O-N 3.27Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.45Å; E106-F109 WeakPolarHBondContact O-CB 3.44Å; E106-F109 PolarHBondContact O-N 2.87Å; E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.49Å
107S89.7Confident85.3Confident58 Ų5872 Ų7241%0.40636%0.355SS..Hα-helixtrans-61.6-42.9177.274.60000111.5V103 Q104 F109 K110 E111V103-S107 WeakPolarHBondContact O-CB 3.48Å; V103-S107 PolarHBondContact O-N 3.16Å; V103-S107 PolarHBondContact O-OG 3.35Å; Q104-S107 PolarHBondContact O-N 2.78Å; Q104-S107 PolarHBondContact O-OG 2.88Å; S107-F109 VanDerWaalsContact C-N 3.34Å; S107-F109 PolarHBondContact O-N 2.93Å; S107-K110 PolarHBondContact O-N 3.32Å; S107-E111 WeakPolarHBondContact O-CB 3.5Å; S107-E111 PolarHBondContact O-N 3.2Å
108S88.9Confident85.6Confident23 Ų2374.6 Ų74.616%0.16136%0.364CS..Hα-helixtrans-67.5-36.5177.7-58.80000111.2Q104 L105 E106 E111 I112Q104-S108 WeakPolarHBondContact O-CB 3.04Å; Q104-S108 PolarHBondContact O-N 3.36Å; Q104-S108 PolarHBondContact O-OG 3.41Å; L105-S108 PolarHBondContact O-N 2.82Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.45Å; S108-E111 PolarHBondContact O-N 3Å; S108-I112 WeakPolarHBondContact O-CD1 3.46Å; S108-I112 WeakPolarHBondContact O-CG1 3.49Å; S108-I112 PolarHBondContact O-N 3.17Å
109F91.6Very high85.7Confident22 Ų2269.5 Ų69.510%0.09634%0.341CS..Hα-helixtrans-63.6-47.8175.7-175.8-92.2000111.4L105 E106 S107 E111 I112 A113 E135 L138 H139 V145L105-F109 VanDerWaalsContact O-CB 3.28Å; L105-F109 WeakPolarHBondContact O-CB 3.22Å; L105-F109 PolarHBondContact O-N 3.33Å; E106-F109 WeakPolarHBondContact O-CB 3.44Å; E106-F109 PolarHBondContact O-N 2.87Å; S107-F109 VanDerWaalsContact C-N 3.34Å; S107-F109 PolarHBondContact O-N 2.93Å; F109-E111 VanDerWaalsContact C-N 3.33Å; F109-E111 PolarHBondContact O-N 3.22Å; F109-I112 PolarHBondContact O-N 3.12Å; F109-A113 PolarHBondContact O-N 2.95Å; F109-E135 HydrophobicContact CD1-CG 4.44Å; F109-E135 HydrophobicContact CE1-CB 4.06Å; F109-E135 HydrophobicContact CE1-CG 4.02Å; F109-L138 HydrophobicContact CE1-CB 4.3Å; F109-L138 HydrophobicContact CE1-CD1 4.4Å; F109-L138 HydrophobicContact CE2-CB 3.68Å; F109-L138 HydrophobicContact CE2-CD1 4.19Å; F109-L138 HydrophobicContact CE2-CG 4.45Å; F109-L138 HydrophobicContact CZ-CB 3.36Å; F109-L138 HydrophobicContact CZ-CD1 4.05Å; F109-L138 HydrophobicContact CZ-CG 4.33Å; F109-H139 AromaticContact CE1-CD2 3.88Å; F109-H139 AromaticContact CE1-NE2 3.49Å; F109-H139 WeakPolarHBondContact CE1-NE2 3.37Å; F109-H139 AromaticContact CZ-CD2 3.73Å; F109-H139 AromaticContact CZ-CE1 3.82Å; F109-H139 AromaticContact CZ-NE2 3.61Å; F109-V145 HydrophobicContact CB-CG2 3.9Å; F109-V145 HydrophobicContact CD2-CG2 3.78Å; F109-V145 HydrophobicContact CG-CG2 4.34Å
110K91.7Very high85.7Confident106 Ų10661.2 Ų61.246%0.46131%0.305SS..Hα-helixtrans-61.7-41175-70-176.8176.4177.80112E106 S107 A113 N114E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.49Å; S107-K110 PolarHBondContact O-N 3.32Å; K110-A113 PolarHBondContact O-N 2.87Å; K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 VanDerWaalsContact O-CG 3.31Å; K110-N114 PolarHBondContact O-N 2.94Å; K110-N114 PolarHBondContact O-ND2 3.44Å
111E90.8Very high85.8Confident103 Ų10358.5 Ų58.548%0.48129%0.293SS..Hα-helixtrans-62.2-43.7176.2-167.6179.6-176.200111.5S107 S108 F109 A113 N114 I115 A151S107-E111 WeakPolarHBondContact O-CB 3.5Å; S107-E111 PolarHBondContact O-N 3.2Å; S108-E111 PolarHBondContact O-N 3Å; F109-E111 VanDerWaalsContact C-N 3.33Å; F109-E111 PolarHBondContact O-N 3.22Å; E111-A113 PolarHBondContact O-N 3.3Å; E111-N114 PolarHBondContact O-N 2.96Å; E111-I115 HydrophobicContact CG-CD1 4.18Å; E111-I115 VanDerWaalsContact O-CG1 3.22Å; E111-I115 WeakPolarHBondContact O-CG1 3.43Å; E111-I115 PolarHBondContact O-N 3.39Å; E111-A151 HydrophobicContact CB-CB 4.38Å; E111-A151 HydrophobicContact CG-CB 3.95Å
112I90.8Very high85.8Confident1 Ų151.9 Ų51.91%0.00527%0.27CS..Hα-helixtrans-60.9-45.9174-68.3161.4000110.6S108 F109 N114 I115 V116 L138 V145 A151 Q154 A155S108-I112 WeakPolarHBondContact O-CD1 3.46Å; S108-I112 WeakPolarHBondContact O-CG1 3.49Å; S108-I112 PolarHBondContact O-N 3.17Å; F109-I112 PolarHBondContact O-N 3.12Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 2.81Å; I112-I115 PolarHBondContact O-N 3.38Å; I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 VanDerWaalsContact O-CG2 3.31Å; I112-V116 WeakPolarHBondContact O-CG2 3.4Å; I112-V116 PolarHBondContact O-N 3.33Å; I112-L138 HydrophobicContact CG2-CD1 4.44Å; I112-V145 HydrophobicContact CD1-CG1 3.94Å; I112-V145 HydrophobicContact CD1-CG2 3.99Å; I112-A151 HydrophobicContact CG1-CB 4Å; I112-Q154 HydrophobicContact CD1-CB 3.74Å; I112-Q154 HydrophobicContact CD1-CG 4.43Å; I112-Q154 HydrophobicContact CG1-CB 4.13Å; I112-A155 HydrophobicContact CG2-CB 4.29Å
113A90Very high85.3Confident0 Ų050.1 Ų50.10%026%0.263CS..Hα-helixtrans-60.6-43.6179.300000112.1F109 K110 E111 V116 A117 I134 E135 L138F109-A113 PolarHBondContact O-N 2.95Å; K110-A113 PolarHBondContact O-N 2.87Å; E111-A113 PolarHBondContact O-N 3.3Å; A113-V116 PolarHBondContact O-N 3.45Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.26Å; A113-I134 HydrophobicContact CB-CG2 4.06Å; A113-E135 HydrophobicContact CB-CG 3.52Å; A113-L138 HydrophobicContact CB-CD1 3.86Å
114N88.5Confident84.8Confident76 Ų7652.3 Ų52.341%0.40627%0.272SS..Hα-helixtrans-62-45.9175.5-73.2-27.7000111.8K110 E111 I112 V116 A117 D118 A131K110-N114 WeakPolarHBondContact O-CB 3.39Å; K110-N114 VanDerWaalsContact O-CG 3.31Å; K110-N114 PolarHBondContact O-N 2.94Å; K110-N114 PolarHBondContact O-ND2 3.44Å; E111-N114 PolarHBondContact O-N 2.96Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 2.81Å; N114-V116 VanDerWaalsContact C-N 3.29Å; N114-V116 PolarHBondContact O-N 3.1Å; N114-A117 WeakPolarHBondContact O-CB 3.25Å; N114-A117 PolarHBondContact O-N 3.42Å; N114-A117 VanDerWaalsContact O-N 3.13Å; N114-D118 PolarHBondContact O-N 2.9Å; N114-A131 WeakPolarHBondContact OD1-CB 3.5Å
115I85.6Confident84.2Confident32 Ų3253.3 Ų53.316%0.16427%0.274CS..Hα-helixtrans-59.8-42.6177.5-69167.8000110.7E111 I112 D118 M119 A151 A155E111-I115 HydrophobicContact CG-CD1 4.18Å; E111-I115 VanDerWaalsContact O-CG1 3.22Å; E111-I115 WeakPolarHBondContact O-CG1 3.43Å; E111-I115 PolarHBondContact O-N 3.39Å; I112-I115 PolarHBondContact O-N 3.38Å; I115-D118 PolarHBondContact O-N 2.83Å; I115-M119 HydrophobicContact CG2-CE 3.46Å; I115-M119 VanDerWaalsContact CG2-CE 3.46Å; I115-M119 HydrophobicContact CG2-SD 3.85Å; I115-M119 WeakPolarHBondContact O-CB 3.38Å; I115-M119 VanDerWaalsContact O-CG 3.24Å; I115-M119 WeakPolarHBondContact O-CG 3.31Å; I115-M119 PolarHBondContact O-N 3.22Å; I115-M119 VanDerWaalsContact O-N 3.08Å; I115-A151 HydrophobicContact CD1-CB 3.7Å; I115-A155 HydrophobicContact CB-CB 4.09Å; I115-A155 HydrophobicContact CG2-CB 3.53Å
116V84.7Confident83.3Confident1 Ų156 Ų561%0.00628%0.284CS..Hα-helixtrans-67.7-38.2177.1175.10000111I112 A113 N114 D118 M119 C120 I134 A155 V158 I159 L162I112-V116 HydrophobicContact CG2-CG2 4.4Å; I112-V116 VanDerWaalsContact O-CG2 3.31Å; I112-V116 WeakPolarHBondContact O-CG2 3.4Å; I112-V116 PolarHBondContact O-N 3.33Å; A113-V116 PolarHBondContact O-N 3.45Å; N114-V116 VanDerWaalsContact C-N 3.29Å; N114-V116 PolarHBondContact O-N 3.1Å; V116-D118 VanDerWaalsContact C-N 3.28Å; V116-D118 PolarHBondContact O-N 3.32Å; V116-M119 PolarHBondContact O-N 3.34Å; V116-C120 HydrophobicContact CG1-CB 4.48Å; V116-C120 VanDerWaalsContact O-CB 3.23Å; V116-C120 WeakPolarHBondContact O-CB 3.47Å; V116-C120 PolarHBondContact O-N 2.82Å; V116-C120 PolarHBondContact O-SG 3.07Å; V116-I134 HydrophobicContact CB-CD1 4.38Å; V116-I134 HydrophobicContact CB-CG2 4Å; V116-I134 HydrophobicContact CG1-CD1 3.96Å; V116-I134 HydrophobicContact CG1-CG1 4.41Å; V116-I134 HydrophobicContact CG1-CG2 3.88Å; V116-A155 HydrophobicContact CG2-CB 3.71Å; V116-V158 HydrophobicContact CG2-CG1 4.41Å; V116-I159 HydrophobicContact CG1-CG1 4.25Å; V116-I159 HydrophobicContact CG2-CG1 4.28Å; V116-L162 HydrophobicContact CG1-CD1 3.78Å
117A83.9Confident82.2Confident6 Ų658.9 Ų58.95%0.0529%0.29CS..Hα-helixtrans-63.9-34.917700000112.5A113 N114 I134 K241A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.26Å; N114-A117 WeakPolarHBondContact O-CB 3.25Å; N114-A117 PolarHBondContact O-N 3.42Å; N114-A117 VanDerWaalsContact O-N 3.13Å; A117-I134 HydrophobicContact CB-CD1 3.48Å; A117-I134 VanDerWaalsContact CB-CD1 3.48Å; A117-I134 VanDerWaalsContact N-CD1 3.31Å; A117-K241 PolarHBondContact O-NZ 3.02Å
118D77.9Confident81.3Confident110 Ų11058.3 Ų58.359%0.58828%0.284SS*.Hα-helixtrans-73.2-35.2175.1-73.9-24.8000112.3N114 I115 V116 K241N114-D118 PolarHBondContact O-N 2.9Å; I115-D118 PolarHBondContact O-N 2.83Å; V116-D118 VanDerWaalsContact C-N 3.28Å; V116-D118 PolarHBondContact O-N 3.32Å; D118-K241 WeakPolarHBondContact O-CE 3.36Å; D118-K241 PolarHBondContact O-NZ 3.42Å
119M76.6Confident80.9Confident47 Ų4758.4 Ų58.423%0.23228%0.281CS..Hα-helixtrans-86.2-18.5-177.5-69.6179-173.600114.8I115 V116 K152 L156 I159 R170 A171I115-M119 HydrophobicContact CG2-CE 3.46Å; I115-M119 VanDerWaalsContact CG2-CE 3.46Å; I115-M119 HydrophobicContact CG2-SD 3.85Å; I115-M119 WeakPolarHBondContact O-CB 3.38Å; I115-M119 VanDerWaalsContact O-CG 3.24Å; I115-M119 WeakPolarHBondContact O-CG 3.31Å; I115-M119 PolarHBondContact O-N 3.22Å; I115-M119 VanDerWaalsContact O-N 3.08Å; V116-M119 PolarHBondContact O-N 3.34Å; M119-K152 HydrophobicContact CE-CG 4.43Å; M119-L156 HydrophobicContact SD-CD2 4.49Å; M119-I159 HydrophobicContact CB-CD1 4.46Å; M119-I159 HydrophobicContact SD-CD1 4.41Å; M119-R170 CarbonylContact O-C 3.5Å; M119-R170 WeakPolarHBondContact O-CA 3.08Å; M119-A171 PolarHBondContact O-N 3.44Å
120C77.9Confident80.5Confident0 Ų060.2 Ų60.20%030%0.297CS..EExtended strand (participates in β ladder)trans-117.2146.8-171-64.70000113V116 I168 E169V116-C120 HydrophobicContact CG1-CB 4.48Å; V116-C120 VanDerWaalsContact O-CB 3.23Å; V116-C120 WeakPolarHBondContact O-CB 3.47Å; V116-C120 PolarHBondContact O-N 2.82Å; V116-C120 PolarHBondContact O-SG 3.07Å; C120-I168 HydrophobicContact CB-CB 4.26Å; C120-E169 CarbonylContact C-O 3.53Å; C120-E169 VanDerWaalsContact CA-O 3.26Å; C120-E169 WeakPolarHBondContact CA-O 3.48Å
121V79.3Confident80.3Confident21 Ų2156.3 Ų56.313%0.12728%0.284CS..EExtended strand (participates in β ladder)trans-128.8152.2174.3-69.40000110.3E169 A171V121-E169 PolarHBondContact N-O 3.19Å; V121-E169 PolarHBondContact O-N 3.08Å; V121-A171 HydrophobicContact CG1-CB 3.99Å
122D80.7Confident80.2Confident19 Ų1955 Ų5510%0.10229%0.287CS..  trans-70.5121.4168-170.7-38.2000108.5D124 K125 K126 R127 Y129D122-D124 VanDerWaalsContact C-N 3.27Å; D122-D124 PolarHBondContact O-N 3.49Å; D122-D124 PolarHBondContact OD1-N 2.96Å; D122-K125 HydrophobicContact CB-CB 4.29Å; D122-K125 PolarHBondContact OD1-N 2.99Å; D122-K126 WeakPolarHBondContact O-CA 3.35Å; D122-K126 PolarHBondContact O-N 3.01Å; D122-R127 WeakPolarHBondContact CB-O 3.48Å; D122-R127 PolarHBondContact N-O 2.93Å; D122-Y129 HydrophobicContact CB-CE1 4.12Å; D122-Y129 HydrophobicContact CB-CE2 3.77Å; D122-Y129 WeakPolarHBondContact CB-OH 3.36Å; D122-Y129 PolarHBondContact OD2-OH 3.38Å; D122-Y129 VanDerWaalsContact OD2-OH 3.06Å
123P75.8Confident80Confident47 Ų4758.5 Ų58.531%0.30530%0.304SS..THydrogen-bonded Turntrans-66-29.3-177.726.6-33000112.6P167 E169P123-P167 WeakPolarHBondContact CD-O 3.28Å; P123-P167 HydrophobicContact CG-CB 3.93Å; P123-E169 HydrophobicContact CB-CB 4.49Å
124D75Confident80Confident140 Ų14058.5 Ų58.575%0.74931%0.305SS*.THydrogen-bonded Turntrans-79.9-41.6-177.5-64.2-30.2000110.9D122D122-D124 VanDerWaalsContact C-N 3.27Å; D122-D124 PolarHBondContact O-N 3.49Å; D122-D124 PolarHBondContact OD1-N 2.96Å
125K71Confident80.1Confident143 Ų14357.1 Ų57.162%0.62230%0.296SS*.THydrogen-bonded Turntrans-98-10.6-174.8-65.9176.9-177.1168.80113.9D122 R127D122-K125 HydrophobicContact CB-CB 4.29Å; D122-K125 PolarHBondContact OD1-N 2.99Å; K125-R127 HydrophobicContact CB-CB 4.35Å; K125-R127 PolarHBondContact O-N 3.18Å
126K68.1Low80.3Confident103 Ų10359.4 Ų59.445%0.44831%0.311SS..  trans48.727.1-170.1-60.8-175.7178.2-177.40113.7D122D122-K126 WeakPolarHBondContact O-CA 3.35Å; D122-K126 PolarHBondContact O-N 3.01Å
127R67.7Low80.6Confident179 Ų17959.6 Ų59.668%0.67531%0.313SS*.  trans-107.4142.8179.3-75.5180-175.1-178.32.9109.8D122 K125D122-R127 WeakPolarHBondContact CB-O 3.48Å; D122-R127 PolarHBondContact N-O 2.93Å; K125-R127 HydrophobicContact CB-CB 4.35Å; K125-R127 PolarHBondContact O-N 3.18Å
128P72Confident80.9Confident45 Ų4559.3 Ų59.329%0.29231%0.311SS..BIsolated β-bridgetrans-66.9144.3174.328.9-33.9000110.4K241 M243P128-K241 HydrophobicContact CB-CD 4.29Å; P128-K241 HydrophobicContact CG-CD 4.39Å; P128-M243 HydrophobicContact CG-CE 3.8Å
129Y80Confident81.4Confident25 Ų2559.8 Ų59.810%0.09831%0.309CS..PPolyproline II helixtrans-70.5146.7171.8-73.3-72.7000110.5D122 I133 L166 P167 I168D122-Y129 HydrophobicContact CB-CE1 4.12Å; D122-Y129 HydrophobicContact CB-CE2 3.77Å; D122-Y129 WeakPolarHBondContact CB-OH 3.36Å; D122-Y129 PolarHBondContact OD2-OH 3.38Å; D122-Y129 VanDerWaalsContact OD2-OH 3.06Å; Y129-I133 HydrophobicContact CD1-CB 4.46Å; Y129-I133 HydrophobicContact CD1-CD1 4.24Å; Y129-I133 HydrophobicContact CD1-CG2 3.87Å; Y129-I133 HydrophobicContact CE1-CG2 4.46Å; Y129-L166 HydrophobicContact CD1-CD2 3.87Å; Y129-L166 HydrophobicContact CD2-CD2 3.97Å; Y129-L166 HydrophobicContact CE1-CD1 4.28Å; Y129-L166 HydrophobicContact CE1-CD2 3.76Å; Y129-L166 HydrophobicContact CE1-CG 4.11Å; Y129-L166 HydrophobicContact CE2-CD2 3.85Å; Y129-L166 HydrophobicContact CE2-CG 4.34Å; Y129-L166 HydrophobicContact CG-CD2 3.97Å; Y129-P167 PolarHBondContact OH-O 2.95Å; Y129-I168 HydrophobicContact CD2-CG2 3.93Å; Y129-I168 HydrophobicContact CE2-CB 4.45Å; Y129-I168 HydrophobicContact CE2-CG2 3.58Å
130S83.6Confident82Confident60 Ų6063 Ų6342%0.4232%0.323SS..PPolyproline II helixtrans-71.9150.2168.367.70000110S132 I133 I134S130-S132 PolarHBondContact O-N 2.96Å; S130-I133 PolarHBondContact O-N 3.31Å; S130-I133 VanDerWaalsContact O-N 3.08Å; S130-I133 WeakPolarHBondContact OG-CD1 3.32Å; S130-I133 WeakPolarHBondContact OG-CG1 3.44Å; S130-I134 PolarHBondContact O-N 3.47Å
131A85.6Confident82.5Confident24 Ų2465.1 Ų65.120%0.19833%0.334CS..Hα-helixtrans-53.4-39.5177.300000112N114 I133 I134 E135N114-A131 WeakPolarHBondContact OD1-CB 3.5Å; A131-I133 PolarHBondContact O-N 3.33Å; A131-I134 PolarHBondContact O-N 3.26Å; A131-I134 VanDerWaalsContact O-N 3.17Å; A131-E135 WeakPolarHBondContact O-CG 3.45Å; A131-E135 PolarHBondContact O-N 3.23Å
132S88.7Confident82.8Confident76 Ų7671.8 Ų71.853%0.53136%0.364SS..Hα-helixtrans-63.3-34.6179.2-52.70000114.1S130 T136S130-S132 PolarHBondContact O-N 2.96Å; S132-T136 PolarHBondContact O-N 2.96Å; S132-T136 PolarHBondContact O-OG1 2.87Å
133I87.8Confident83.1Confident74 Ų7472.5 Ų72.538%0.37937%0.365SS..Hα-helixtrans-67.7-42.9175.6-67.3167.3000109.4Y129 S130 A131 T136 A137 L166Y129-I133 HydrophobicContact CD1-CB 4.46Å; Y129-I133 HydrophobicContact CD1-CD1 4.24Å; Y129-I133 HydrophobicContact CD1-CG2 3.87Å; Y129-I133 HydrophobicContact CE1-CG2 4.46Å; S130-I133 PolarHBondContact O-N 3.31Å; S130-I133 VanDerWaalsContact O-N 3.08Å; S130-I133 WeakPolarHBondContact OG-CD1 3.32Å; S130-I133 WeakPolarHBondContact OG-CG1 3.44Å; A131-I133 PolarHBondContact O-N 3.33Å; I133-T136 PolarHBondContact O-N 3.28Å; I133-A137 PolarHBondContact O-N 3.21Å; I133-L166 HydrophobicContact CG2-CD1 4.17Å; I133-L166 HydrophobicContact CG2-CD2 4Å
134I88.8Confident83.6Confident1 Ų174.7 Ų74.71%0.00538%0.382CS..Hα-helixtrans-68.9-38.6178.8-70.4163.2000111.5A113 V116 A117 S130 A131 T136 A137 L138 L162A113-I134 HydrophobicContact CB-CG2 4.06Å; V116-I134 HydrophobicContact CB-CD1 4.38Å; V116-I134 HydrophobicContact CB-CG2 4Å; V116-I134 HydrophobicContact CG1-CD1 3.96Å; V116-I134 HydrophobicContact CG1-CG1 4.41Å; V116-I134 HydrophobicContact CG1-CG2 3.88Å; A117-I134 HydrophobicContact CB-CD1 3.48Å; A117-I134 VanDerWaalsContact CB-CD1 3.48Å; A117-I134 VanDerWaalsContact N-CD1 3.31Å; S130-I134 PolarHBondContact O-N 3.47Å; A131-I134 PolarHBondContact O-N 3.26Å; A131-I134 VanDerWaalsContact O-N 3.17Å; I134-T136 VanDerWaalsContact C-N 3.31Å; I134-T136 PolarHBondContact O-N 3.43Å; I134-A137 PolarHBondContact O-N 3.14Å; I134-L138 HydrophobicContact CG2-CD1 3.96Å; I134-L138 HydrophobicContact CG2-CG 4.23Å; I134-L138 VanDerWaalsContact O-CB 3.27Å; I134-L138 WeakPolarHBondContact O-CB 3.42Å; I134-L138 VanDerWaalsContact O-CG 3.26Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.12Å; I134-L162 HydrophobicContact CG2-CD1 4.27Å
135E90.6Very high84.2Confident46 Ų4669.1 Ų69.122%0.21535%0.353CS..Hα-helixtrans-57.7-45.5172.3-75.5177.6-172.900111.1F109 A113 A131 L138 H139F109-E135 HydrophobicContact CD1-CG 4.44Å; F109-E135 HydrophobicContact CE1-CB 4.06Å; F109-E135 HydrophobicContact CE1-CG 4.02Å; A113-E135 HydrophobicContact CB-CG 3.52Å; A131-E135 WeakPolarHBondContact O-CG 3.45Å; A131-E135 PolarHBondContact O-N 3.23Å; E135-L138 WeakPolarHBondContact O-CB 3.44Å; E135-L138 PolarHBondContact O-N 3.46Å; E135-H139 PolarHBondContact O-CD2 2.88Å; E135-H139 PolarHBondContact O-N 2.87Å
136T90.5Very high84.9Confident80 Ų8066.9 Ų66.949%0.49134%0.343SS..Hα-helixtrans-61.2-48.2176.9-51.60000110.8S132 I133 I134 L138 H139 E140S132-T136 PolarHBondContact O-N 2.96Å; S132-T136 PolarHBondContact O-OG1 2.87Å; I133-T136 PolarHBondContact O-N 3.28Å; I134-T136 VanDerWaalsContact C-N 3.31Å; I134-T136 PolarHBondContact O-N 3.43Å; T136-L138 VanDerWaalsContact C-N 3.31Å; T136-L138 PolarHBondContact O-N 3.12Å; T136-H139 WeakPolarHBondContact O-CB 3.2Å; T136-H139 PolarHBondContact O-N 3.02Å; T136-H139 VanDerWaalsContact O-N 3.13Å; T136-E140 PolarHBondContact O-N 2.86Å
137A90.2Very high85.5Confident6 Ų666.3 Ų66.35%0.0535%0.35CS..Hα-helixtrans-63.2-36.7178.100000112.4I133 I134 E140 I141 L162I133-A137 PolarHBondContact O-N 3.21Å; I134-A137 PolarHBondContact O-N 3.14Å; A137-E140 PolarHBondContact O-N 3.46Å; A137-I141 WeakPolarHBondContact O-CG1 3.41Å; A137-I141 PolarHBondContact O-N 3.4Å; A137-I141 VanDerWaalsContact O-N 3.1Å; A137-L162 HydrophobicContact CB-CD2 3.44Å; A137-L162 VanDerWaalsContact CB-CD2 3.44Å
138L90.5Very high86.2Confident0 Ų065.4 Ų65.40%036%0.358CS..Hα-helixtrans-63.5-38.2173.9-82.9171.8000112.4F109 I112 A113 I134 E135 T136 I141 H142 W143 V158F109-L138 HydrophobicContact CE1-CB 4.3Å; F109-L138 HydrophobicContact CE1-CD1 4.4Å; F109-L138 HydrophobicContact CE2-CB 3.68Å; F109-L138 HydrophobicContact CE2-CD1 4.19Å; F109-L138 HydrophobicContact CE2-CG 4.45Å; F109-L138 HydrophobicContact CZ-CB 3.36Å; F109-L138 HydrophobicContact CZ-CD1 4.05Å; F109-L138 HydrophobicContact CZ-CG 4.33Å; I112-L138 HydrophobicContact CG2-CD1 4.44Å; A113-L138 HydrophobicContact CB-CD1 3.86Å; I134-L138 HydrophobicContact CG2-CD1 3.96Å; I134-L138 HydrophobicContact CG2-CG 4.23Å; I134-L138 VanDerWaalsContact O-CB 3.27Å; I134-L138 WeakPolarHBondContact O-CB 3.42Å; I134-L138 VanDerWaalsContact O-CG 3.26Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.12Å; E135-L138 WeakPolarHBondContact O-CB 3.44Å; E135-L138 PolarHBondContact O-N 3.46Å; T136-L138 VanDerWaalsContact C-N 3.31Å; T136-L138 PolarHBondContact O-N 3.12Å; L138-I141 HydrophobicContact CD2-CD1 4.07Å; L138-I141 VanDerWaalsContact O-CG1 3.27Å; L138-I141 WeakPolarHBondContact O-CG1 3.22Å; L138-H142 PolarHBondContact O-N 2.95Å; L138-W143 HydrophobicContact CD2-CB 4Å; L138-W143 HydrophobicContact CD2-CG 4.21Å; L138-W143 PolarHBondContact O-N 3.43Å; L138-W143 VanDerWaalsContact O-N 3.16Å; L138-V158 HydrophobicContact CD2-CB 4.4Å; L138-V158 HydrophobicContact CD2-CG1 3.37Å; L138-V158 HydrophobicContact CD2-CG2 4.1Å; L138-V158 HydrophobicContact CG-CG1 4.47Å
139H89.4Confident86.7Confident120 Ų12068.2 Ų68.256%0.55636%0.363SS*.Hα-helixtrans-67.6-39.5174.6-80.4-64000112.1F109 E135 T136 H142F109-H139 AromaticContact CE1-CD2 3.88Å; F109-H139 AromaticContact CE1-NE2 3.49Å; F109-H139 WeakPolarHBondContact CE1-NE2 3.37Å; F109-H139 AromaticContact CZ-CD2 3.73Å; F109-H139 AromaticContact CZ-CE1 3.82Å; F109-H139 AromaticContact CZ-NE2 3.61Å; E135-H139 PolarHBondContact O-CD2 2.88Å; E135-H139 PolarHBondContact O-N 2.87Å; T136-H139 WeakPolarHBondContact O-CB 3.2Å; T136-H139 PolarHBondContact O-N 3.02Å; T136-H139 VanDerWaalsContact O-N 3.13Å; H139-H142 PolarHBondContact O-N 3.45Å; H139-H142 VanDerWaalsContact O-N 3.1Å; H139-H142 PolarHBondContact O-ND1 3.18Å
140E88.5Confident87Confident113 Ų11369.8 Ų69.853%0.52838%0.378SS..Hα-helixtrans-66-38.6178-72.3-175.5179.900113.3T136 A137 H142T136-E140 PolarHBondContact O-N 2.86Å; A137-E140 PolarHBondContact O-N 3.46Å; E140-H142 PolarHBondContact O-N 2.85Å
141I87.6Confident87.2Confident45 Ų4567.6 Ų67.623%0.23136%0.363CS..THydrogen-bonded Turntrans-76.71.8174.467.1171.1000112.8A137 L138 W143 K161 L162 K165A137-I141 WeakPolarHBondContact O-CG1 3.41Å; A137-I141 PolarHBondContact O-N 3.4Å; A137-I141 VanDerWaalsContact O-N 3.1Å; L138-I141 HydrophobicContact CD2-CD1 4.07Å; L138-I141 VanDerWaalsContact O-CG1 3.27Å; L138-I141 WeakPolarHBondContact O-CG1 3.22Å; I141-W143 VanDerWaalsContact C-N 3.26Å; I141-W143 HydrophobicContact CD1-CB 3.98Å; I141-W143 HydrophobicContact CG1-CB 3.96Å; I141-W143 PolarHBondContact O-N 3.26Å; I141-K161 HydrophobicContact CD1-CB 4.34Å; I141-L162 HydrophobicContact CD1-CD2 4.13Å; I141-L162 HydrophobicContact CD1-CG 4.2Å; I141-K165 HydrophobicContact CG2-CG 4.23Å
142H87.3Confident87.1Confident161 Ų16172.7 Ų72.775%0.74538%0.381SS*.THydrogen-bonded Turntrans50.143.4-176.2-62.1-59.3000113.2L138 H139 E140 S144L138-H142 PolarHBondContact O-N 2.95Å; H139-H142 PolarHBondContact O-N 3.45Å; H139-H142 VanDerWaalsContact O-N 3.1Å; H139-H142 PolarHBondContact O-ND1 3.18Å; E140-H142 PolarHBondContact O-N 2.85Å; H142-S144 PolarHBondContact O-N 2.95Å
143W86Confident87Confident34 Ų3474.3 Ų74.313%0.12938%0.38CS..PPolyproline II helixtrans-68.6126.9-179.1-179.1-101.4000111.5L138 I141 Q154 E157 V158 K161L138-W143 HydrophobicContact CD2-CB 4Å; L138-W143 HydrophobicContact CD2-CG 4.21Å; L138-W143 PolarHBondContact O-N 3.43Å; L138-W143 VanDerWaalsContact O-N 3.16Å; I141-W143 VanDerWaalsContact C-N 3.26Å; I141-W143 HydrophobicContact CD1-CB 3.98Å; I141-W143 HydrophobicContact CG1-CB 3.96Å; I141-W143 PolarHBondContact O-N 3.26Å; W143-Q154 HydrophobicContact CZ2-CB 4.48Å; W143-E157 HydrophobicContact CH2-CB 4.04Å; W143-V158 HydrophobicContact CD2-CG2 3.45Å; W143-V158 VanDerWaalsContact CD2-CG2 3.45Å; W143-V158 HydrophobicContact CE3-CG2 3.87Å; W143-V158 HydrophobicContact CG-CG2 3.87Å; W143-V158 HydrophobicContact CH2-CG2 4.02Å; W143-V158 HydrophobicContact CZ2-CG2 3.64Å; W143-V158 HydrophobicContact CZ3-CG2 4.12Å; W143-K161 HydrophobicContact CE3-CD 4.21Å; W143-K161 HydrophobicContact CZ3-CD 3.91Å
144S86.9Confident87Confident94 Ų9470.9 Ų70.966%0.65736%0.363SS*.PPolyproline II helixtrans-100.4116.7177-66.70000111.3H142H142-S144 PolarHBondContact O-N 2.95Å
145V87.5Confident87Confident22 Ų2270.9 Ų70.913%0.13336%0.362CS..PPolyproline II helixtrans-68130.6178.5-177.70000111L105 F109 I112L105-V145 HydrophobicContact CD2-CB 4.22Å; L105-V145 HydrophobicContact CD2-CG1 4.41Å; F109-V145 HydrophobicContact CB-CG2 3.9Å; F109-V145 HydrophobicContact CD2-CG2 3.78Å; F109-V145 HydrophobicContact CG-CG2 4.34Å; I112-V145 HydrophobicContact CD1-CG1 3.94Å; I112-V145 HydrophobicContact CD1-CG2 3.99Å
146K86.4Confident86.6Confident96 Ų9672.2 Ų72.242%0.41737%0.371SS..  trans-98.4111.6177.3-66.2178.7-177.4171.30109.8N148 R149 Q154K146-N148 PolarHBondContact O-N 3.43Å; K146-N148 VanDerWaalsContact O-N 3.15Å; K146-R149 HydrophobicContact CB-CB 4.48Å; K146-R149 PolarHBondContact O-N 3.43Å; K146-Q154 PolarHBondContact O-NE2 2.82Å
147P80Confident86.4Confident91 Ų9172.1 Ų72.159%0.59137%0.365SS*.THydrogen-bonded Turntrans-65.8-20.8-176.724.8-33.5000113.7R149P147-R149 VanDerWaalsContact C-N 3.28Å; P147-R149 PolarHBondContact O-N 3.27Å
148N82.3Confident86.3Confident161 Ų16171.9 Ų71.986%0.86136%0.363SS*.THydrogen-bonded Turntrans-83.81.7-179.2-63.3-3.1000113.6K146K146-N148 PolarHBondContact O-N 3.43Å; K146-N148 VanDerWaalsContact O-N 3.15Å
149R82.9Confident86Confident103 Ų10372 Ų7239%0.38936%0.363SS..SBendtrans-123.7146.8-178.9-69.5-173.1175.9-171.3-10.1110.7K146 P147 Q154 E157K146-R149 HydrophobicContact CB-CB 4.48Å; K146-R149 PolarHBondContact O-N 3.43Å; P147-R149 VanDerWaalsContact C-N 3.28Å; P147-R149 PolarHBondContact O-N 3.27Å; R149-Q154 HydrophobicContact CB-CG 4Å; R149-Q154 PolarHBondContact O-NE2 3.35Å; R149-E157 IonicContact CZ-OE1 2.9Å; R149-E157 VanDerWaalsContact NH1-CD 3.28Å; R149-E157 IonicContact NH1-OE1 3.3Å; R149-E157 PolarHBondContact NH1-OE1 3.4Å; R149-E157 IonicContact NH1-OE2 3.96Å; R149-E157 PolarHBondContact NH1-OE2 2.91Å
150S87Confident85.8Confident58 Ų5869.8 Ų69.841%0.40636%0.36SS..  trans-63.1147176.9650000112K152 Q153 Q154S150-K152 PolarHBondContact O-N 3.24Å; S150-Q153 PolarHBondContact O-N 3.15Å; S150-Q153 WeakPolarHBondContact OG-CB 3.39Å; S150-Q153 VanDerWaalsContact OG-CD 3.3Å; S150-Q153 WeakPolarHBondContact OG-CG 3.37Å; S150-Q153 PolarHBondContact OG-N 3.36Å; S150-Q153 PolarHBondContact OG-OE1 3.49Å; S150-Q154 WeakPolarHBondContact O-CG 3.39Å; S150-Q154 PolarHBondContact O-N 3.41Å; S150-Q154 VanDerWaalsContact O-N 3.12Å
151A87.8Confident85.6Confident14 Ų1469.7 Ų69.712%0.11636%0.357CS..Hα-helixtrans-56.7-39.7177.500000111.8E111 I112 I115 Q154 A155E111-A151 HydrophobicContact CB-CB 4.38Å; E111-A151 HydrophobicContact CG-CB 3.95Å; I112-A151 HydrophobicContact CG1-CB 4Å; I115-A151 HydrophobicContact CD1-CB 3.7Å; A151-Q154 PolarHBondContact O-N 2.87Å; A151-A155 WeakPolarHBondContact O-CB 3.2Å; A151-A155 PolarHBondContact O-N 2.92Å
152K83.5Confident85.6Confident131 Ų13167.6 Ų67.657%0.5735%0.346SS*.Hα-helixtrans-63.5-42.3177.7-170.7170.7-175.91710113.6M119 S150 Q154 A155 L156M119-K152 HydrophobicContact CE-CG 4.43Å; S150-K152 PolarHBondContact O-N 3.24Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; K152-A155 PolarHBondContact O-N 3.47Å; K152-L156 WeakPolarHBondContact O-CG 3.38Å; K152-L156 PolarHBondContact O-N 3.41Å
153Q85.3Confident85.3Confident110 Ų11065.3 Ų65.351%0.51434%0.335SS..Hα-helixtrans-64.6-41.7175.5-77.8170.3-20.400111.2S150 L156 E157S150-Q153 PolarHBondContact O-N 3.15Å; S150-Q153 WeakPolarHBondContact OG-CB 3.39Å; S150-Q153 VanDerWaalsContact OG-CD 3.3Å; S150-Q153 WeakPolarHBondContact OG-CG 3.37Å; S150-Q153 PolarHBondContact OG-N 3.36Å; S150-Q153 PolarHBondContact OG-OE1 3.49Å; Q153-L156 PolarHBondContact O-N 3.07Å; Q153-E157 PolarHBondContact O-N 3.18Å
154Q89Confident85.1Confident3 Ų370.4 Ų70.41%0.01436%0.364CS..Hα-helixtrans-65.2-41.6177.6-67.6-174.673.700111.7I112 W143 K146 R149 S150 A151 K152 L156 E157 V158I112-Q154 HydrophobicContact CD1-CB 3.74Å; I112-Q154 HydrophobicContact CD1-CG 4.43Å; I112-Q154 HydrophobicContact CG1-CB 4.13Å; W143-Q154 HydrophobicContact CZ2-CB 4.48Å; K146-Q154 PolarHBondContact O-NE2 2.82Å; R149-Q154 HydrophobicContact CB-CG 4Å; R149-Q154 PolarHBondContact O-NE2 3.35Å; S150-Q154 WeakPolarHBondContact O-CG 3.39Å; S150-Q154 PolarHBondContact O-N 3.41Å; S150-Q154 VanDerWaalsContact O-N 3.12Å; A151-Q154 PolarHBondContact O-N 2.87Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; Q154-L156 VanDerWaalsContact C-N 3.31Å; Q154-L156 PolarHBondContact O-N 3.26Å; Q154-E157 PolarHBondContact O-N 3.31Å; Q154-E157 VanDerWaalsContact O-N 3.15Å; Q154-V158 WeakPolarHBondContact O-CB 3.47Å; Q154-V158 VanDerWaalsContact O-CG2 3.25Å; Q154-V158 WeakPolarHBondContact O-CG2 3.43Å; Q154-V158 PolarHBondContact O-N 2.99Å
155A87Confident84.7Confident0 Ų072.6 Ų72.60%036%0.362CS..Hα-helixtrans-56.2-44.1174.600000112.1I112 I115 V116 A151 K152 E157 V158 I159I112-A155 HydrophobicContact CG2-CB 4.29Å; I115-A155 HydrophobicContact CB-CB 4.09Å; I115-A155 HydrophobicContact CG2-CB 3.53Å; V116-A155 HydrophobicContact CG2-CB 3.71Å; A151-A155 WeakPolarHBondContact O-CB 3.2Å; A151-A155 PolarHBondContact O-N 2.92Å; K152-A155 PolarHBondContact O-N 3.47Å; A155-E157 VanDerWaalsContact C-N 3.33Å; A155-E157 PolarHBondContact O-N 3Å; A155-V158 PolarHBondContact O-N 2.82Å; A155-I159 VanDerWaalsContact O-CG1 3.3Å; A155-I159 WeakPolarHBondContact O-CG1 3.3Å; A155-I159 PolarHBondContact O-N 3.34Å
156L83.7Confident84.4Confident74 Ų7473 Ų7339%0.38736%0.363SS..Hα-helixtrans-65.2-33.5178.1-68.2171000113.5M119 K152 Q153 Q154 I159 P160M119-L156 HydrophobicContact SD-CD2 4.49Å; K152-L156 WeakPolarHBondContact O-CG 3.38Å; K152-L156 PolarHBondContact O-N 3.41Å; Q153-L156 PolarHBondContact O-N 3.07Å; Q154-L156 VanDerWaalsContact C-N 3.31Å; Q154-L156 PolarHBondContact O-N 3.26Å; L156-I159 HydrophobicContact CD2-CD1 4.45Å; L156-P160 VanDerWaalsContact O-CD 3.26Å; L156-P160 WeakPolarHBondContact O-CD 3.26Å
157E86.3Confident84.1Confident79 Ų7971.7 Ų71.737%0.36937%0.365SS..Hα-helixtrans-74-27.8174.8-71-177.117400112.6W143 R149 Q153 Q154 A155W143-E157 HydrophobicContact CH2-CB 4.04Å; R149-E157 IonicContact CZ-OE1 2.9Å; R149-E157 VanDerWaalsContact NH1-CD 3.28Å; R149-E157 IonicContact NH1-OE1 3.3Å; R149-E157 PolarHBondContact NH1-OE1 3.4Å; R149-E157 IonicContact NH1-OE2 3.96Å; R149-E157 PolarHBondContact NH1-OE2 2.91Å; Q153-E157 PolarHBondContact O-N 3.18Å; Q154-E157 PolarHBondContact O-N 3.31Å; Q154-E157 VanDerWaalsContact O-N 3.15Å; A155-E157 VanDerWaalsContact C-N 3.33Å; A155-E157 PolarHBondContact O-N 3Å
158V87.8Confident84.3Confident0 Ų067.7 Ų67.70%034%0.338CS..Hα-helixtrans-79.1-39.4-178.5161.30000112V116 L138 W143 Q154 A155 P160 K161 L162V116-V158 HydrophobicContact CG2-CG1 4.41Å; L138-V158 HydrophobicContact CD2-CB 4.4Å; L138-V158 HydrophobicContact CD2-CG1 3.37Å; L138-V158 HydrophobicContact CD2-CG2 4.1Å; L138-V158 HydrophobicContact CG-CG1 4.47Å; W143-V158 HydrophobicContact CD2-CG2 3.45Å; W143-V158 VanDerWaalsContact CD2-CG2 3.45Å; W143-V158 HydrophobicContact CE3-CG2 3.87Å; W143-V158 HydrophobicContact CG-CG2 3.87Å; W143-V158 HydrophobicContact CH2-CG2 4.02Å; W143-V158 HydrophobicContact CZ2-CG2 3.64Å; W143-V158 HydrophobicContact CZ3-CG2 4.12Å; Q154-V158 WeakPolarHBondContact O-CB 3.47Å; Q154-V158 VanDerWaalsContact O-CG2 3.25Å; Q154-V158 WeakPolarHBondContact O-CG2 3.43Å; Q154-V158 PolarHBondContact O-N 2.99Å; A155-V158 PolarHBondContact O-N 2.82Å; V158-P160 VanDerWaalsContact C-CD 3.5Å; V158-K161 WeakPolarHBondContact O-CA 3.25Å; V158-K161 WeakPolarHBondContact O-CB 3.44Å; V158-K161 PolarHBondContact O-N 3.07Å; V158-L162 HydrophobicContact CG1-CD1 3.34Å; V158-L162 HydrophobicContact CG1-CG 3.69Å; V158-L162 PolarHBondContact O-N 2.8Å
159I84.6Confident84Confident4 Ų464 Ų642%0.02132%0.316CS..Hα-helixtrans-50.5-47.7-175.9-70.4162.6000112.9V116 M119 A155 L156 K161 L162 K163 I168 R170V116-I159 HydrophobicContact CG1-CG1 4.25Å; V116-I159 HydrophobicContact CG2-CG1 4.28Å; M119-I159 HydrophobicContact CB-CD1 4.46Å; M119-I159 HydrophobicContact SD-CD1 4.41Å; A155-I159 VanDerWaalsContact O-CG1 3.3Å; A155-I159 WeakPolarHBondContact O-CG1 3.3Å; A155-I159 PolarHBondContact O-N 3.34Å; L156-I159 HydrophobicContact CD2-CD1 4.45Å; I159-K161 VanDerWaalsContact C-N 3.27Å; I159-K161 PolarHBondContact O-N 2.81Å; I159-L162 PolarHBondContact O-N 2.79Å; I159-K163 PolarHBondContact O-N 2.84Å; I159-I168 HydrophobicContact CG2-CD1 4.08Å; I159-I168 WeakPolarHBondContact O-CD1 3.28Å; I159-R170 HydrophobicContact CG2-CG 4.36Å
160P83.6Confident83.6Confident73 Ų7363.8 Ų63.847%0.47432%0.315SS..Hα-helixtrans-62.8-33.7178.2-20.231.7000113.3L156 V158 K163L156-P160 VanDerWaalsContact O-CD 3.26Å; L156-P160 WeakPolarHBondContact O-CD 3.26Å; V158-P160 VanDerWaalsContact C-CD 3.5Å; P160-K163 WeakPolarHBondContact O-CB 3.48Å
161K85.8Confident82.7Confident110 Ų11061.2 Ų61.248%0.47830%0.297SS..Hα-helixtrans-77.5-32.8-179.2-61.3-172.8177.4-163.60112.5I141 W143 V158 I159 K163 D164I141-K161 HydrophobicContact CD1-CB 4.34Å; W143-K161 HydrophobicContact CE3-CD 4.21Å; W143-K161 HydrophobicContact CZ3-CD 3.91Å; V158-K161 WeakPolarHBondContact O-CA 3.25Å; V158-K161 WeakPolarHBondContact O-CB 3.44Å; V158-K161 PolarHBondContact O-N 3.07Å; I159-K161 VanDerWaalsContact C-N 3.27Å; I159-K161 PolarHBondContact O-N 2.81Å; K161-K163 PolarHBondContact O-N 2.88Å; K161-D164 PolarHBondContact O-N 2.81Å
162L86.1Confident81.9Confident1 Ų163.4 Ų63.41%0.00530%0.304CS..Hα-helixtrans-66.8-28.6175.1-82.8171.6000111.9V116 I134 A137 I141 V158 I159 D164 K165 L166 I168V116-L162 HydrophobicContact CG1-CD1 3.78Å; I134-L162 HydrophobicContact CG2-CD1 4.27Å; A137-L162 HydrophobicContact CB-CD2 3.44Å; A137-L162 VanDerWaalsContact CB-CD2 3.44Å; I141-L162 HydrophobicContact CD1-CD2 4.13Å; I141-L162 HydrophobicContact CD1-CG 4.2Å; V158-L162 HydrophobicContact CG1-CD1 3.34Å; V158-L162 HydrophobicContact CG1-CG 3.69Å; V158-L162 PolarHBondContact O-N 2.8Å; I159-L162 PolarHBondContact O-N 2.79Å; L162-D164 PolarHBondContact O-N 2.77Å; L162-D164 VanDerWaalsContact O-N 3.13Å; L162-K165 PolarHBondContact O-N 2.97Å; L162-K165 VanDerWaalsContact O-N 3.08Å; L162-L166 PolarHBondContact O-N 3.31Å; L162-L166 VanDerWaalsContact O-O 3.13Å; L162-I168 HydrophobicContact CB-CD1 3.42Å; L162-I168 VanDerWaalsContact CB-CD1 3.42Å; L162-I168 HydrophobicContact CB-CG1 4.36Å; L162-I168 HydrophobicContact CD1-CD1 4.18Å; L162-I168 HydrophobicContact CG-CD1 4.47Å
163K82.8Confident81.4Confident114 Ų11457.9 Ų57.950%0.49628%0.28SS..THydrogen-bonded Turntrans-56.9-26.1176.9-76.7-171.8173.9-164.90113.9I159 P160 K161 K165 L166 I168I159-K163 PolarHBondContact O-N 2.84Å; P160-K163 WeakPolarHBondContact O-CB 3.48Å; K161-K163 PolarHBondContact O-N 2.88Å; K163-K165 VanDerWaalsContact C-N 3.25Å; K163-K165 PolarHBondContact O-N 2.64Å; K163-L166 WeakPolarHBondContact CA-O 3.35Å; K163-I168 WeakPolarHBondContact CE-O 3.26Å; K163-I168 HydrophobicContact CG-CD1 4.44Å; K163-I168 HydrophobicContact CG-CG1 3.62Å
164D80.7Confident80.9Confident140 Ų14056 Ų5675%0.74927%0.269SS*.THydrogen-bonded Turntrans-70.2-22.5179.8-66-23000113K161 L162K161-D164 PolarHBondContact O-N 2.81Å; L162-D164 PolarHBondContact O-N 2.77Å; L162-D164 VanDerWaalsContact O-N 3.13Å
165K79.1Confident80.5Confident141 Ų14155.9 Ų55.961%0.61327%0.268SS*.THydrogen-bonded Turntrans-116.9-37.5-175.7-72.8-67.5-174.3176.90113.4I141 L162 K163I141-K165 HydrophobicContact CG2-CG 4.23Å; L162-K165 PolarHBondContact O-N 2.97Å; L162-K165 VanDerWaalsContact O-N 3.08Å; K163-K165 VanDerWaalsContact C-N 3.25Å; K163-K165 PolarHBondContact O-N 2.64Å
166L80.7Confident80.2Confident31 Ų3160.1 Ų60.116%0.16228%0.284CS..SBendtrans-122124.1-178.3-159.180.9000107.4Y129 I133 L162 K163 I168Y129-L166 HydrophobicContact CD1-CD2 3.87Å; Y129-L166 HydrophobicContact CD2-CD2 3.97Å; Y129-L166 HydrophobicContact CE1-CD1 4.28Å; Y129-L166 HydrophobicContact CE1-CD2 3.76Å; Y129-L166 HydrophobicContact CE1-CG 4.11Å; Y129-L166 HydrophobicContact CE2-CD2 3.85Å; Y129-L166 HydrophobicContact CE2-CG 4.34Å; Y129-L166 HydrophobicContact CG-CD2 3.97Å; I133-L166 HydrophobicContact CG2-CD1 4.17Å; I133-L166 HydrophobicContact CG2-CD2 4Å; L162-L166 PolarHBondContact O-N 3.31Å; L162-L166 VanDerWaalsContact O-O 3.13Å; K163-L166 WeakPolarHBondContact CA-O 3.35Å; L166-I168 VanDerWaalsContact C-N 3.29Å; L166-I168 HydrophobicContact CB-CG2 3.97Å; L166-I168 HydrophobicContact CD2-CG2 3.59Å; L166-I168 HydrophobicContact CG-CG2 3.94Å; L166-I168 PolarHBondContact O-N 3.14Å
167P80.9Confident80.1Confident68 Ų6856.7 Ų56.744%0.44227%0.266SS..  trans-65.895174.728-32.3000107.9P123 Y129P123-P167 WeakPolarHBondContact CD-O 3.28Å; P123-P167 HydrophobicContact CG-CB 3.93Å; Y129-P167 PolarHBondContact OH-O 2.95Å
168I82.8Confident79.9Confident7 Ų756.3 Ų56.34%0.03626%0.263CS..  trans-113.3133178.562.5171.7000109.8C120 Y129 I159 L162 K163 L166C120-I168 HydrophobicContact CB-CB 4.26Å; Y129-I168 HydrophobicContact CD2-CG2 3.93Å; Y129-I168 HydrophobicContact CE2-CB 4.45Å; Y129-I168 HydrophobicContact CE2-CG2 3.58Å; I159-I168 HydrophobicContact CG2-CD1 4.08Å; I159-I168 WeakPolarHBondContact O-CD1 3.28Å; L162-I168 HydrophobicContact CB-CD1 3.42Å; L162-I168 VanDerWaalsContact CB-CD1 3.42Å; L162-I168 HydrophobicContact CB-CG1 4.36Å; L162-I168 HydrophobicContact CD1-CD1 4.18Å; L162-I168 HydrophobicContact CG-CD1 4.47Å; K163-I168 WeakPolarHBondContact CE-O 3.26Å; K163-I168 HydrophobicContact CG-CD1 4.44Å; K163-I168 HydrophobicContact CG-CG1 3.62Å; L166-I168 VanDerWaalsContact C-N 3.29Å; L166-I168 HydrophobicContact CB-CG2 3.97Å; L166-I168 HydrophobicContact CD2-CG2 3.59Å; L166-I168 HydrophobicContact CG-CG2 3.94Å; L166-I168 PolarHBondContact O-N 3.14Å
169E76.1Confident79.6Confident83 Ų8356.3 Ų56.339%0.38826%0.263SS..EExtended strand (participates in β ladder)trans-116.1149.6168.2-156.8174.9167.500109.4C120 V121 P123 A171 K172C120-E169 CarbonylContact C-O 3.53Å; C120-E169 VanDerWaalsContact CA-O 3.26Å; C120-E169 WeakPolarHBondContact CA-O 3.48Å; V121-E169 PolarHBondContact N-O 3.19Å; V121-E169 PolarHBondContact O-N 3.08Å; P123-E169 HydrophobicContact CB-CB 4.49Å; E169-A171 PolarHBondContact O-N 3.36Å; E169-K172 IonicContact OE1-NZ 2.72Å
170R74.6Confident79.3Confident98 Ų9857.5 Ų57.537%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-71.3134.1175.2-75.6-175.8177.4171.21.8108.8M119 I159 K172M119-R170 CarbonylContact O-C 3.5Å; M119-R170 WeakPolarHBondContact O-CA 3.08Å; I159-R170 HydrophobicContact CG2-CG 4.36Å; R170-K172 PolarHBondContact O-N 3.32Å
171A68.8Low78.9Confident5 Ų556.6 Ų56.64%0.04127%0.27CS..PPolyproline II helixtrans-61.6120.2175.500000109.5M119 V121 E169 P215 K241M119-A171 PolarHBondContact O-N 3.44Å; V121-A171 HydrophobicContact CG1-CB 3.99Å; E169-A171 PolarHBondContact O-N 3.36Å; A171-P215 WeakPolarHBondContact O-CD 3.42Å; A171-P215 VanDerWaalsContact O-CG 3.31Å; A171-P215 WeakPolarHBondContact O-CG 3.21Å; A171-K241 HydrophobicContact CB-CG 4.18Å
172K70.8Confident78.1Confident59 Ų5955.6 Ų55.626%0.25729%0.291SS..PPolyproline II helixtrans-81.4136.8172.6-58.1-176.4-170.5-177.10108.6E169 R170 D195 L212E169-K172 IonicContact OE1-NZ 2.72Å; R170-K172 PolarHBondContact O-N 3.32Å; K172-D195 VanDerWaalsContact CE-OD2 3.24Å; K172-D195 WeakPolarHBondContact CE-OD2 3.31Å; K172-D195 IonicContact NZ-OD2 3.81Å; K172-D195 PolarHBondContact NZ-OD2 2.72Å; K172-L212 HydrophobicContact CB-CB 4.2Å; K172-L212 HydrophobicContact CB-CD2 4.11Å; K172-L212 HydrophobicContact CD-CB 4.48Å
173M73.7Confident77.4Confident15 Ų1556.1 Ų56.17%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-93.4135.6177.7-63.4-179.36600109.2V175 L212 I213 P215 L237 L240M173-V175 HydrophobicContact CB-CG2 4.06Å; M173-L212 CarbonylContact O-C 3.57Å; M173-L212 WeakPolarHBondContact O-CA 3.38Å; M173-I213 PolarHBondContact N-O 2.95Å; M173-I213 PolarHBondContact O-N 3.28Å; M173-P215 HydrophobicContact CG-CB 4.27Å; M173-P215 HydrophobicContact CG-CG 3.87Å; M173-P215 VanDerWaalsContact SD-CA 3.59Å; M173-P215 HydrophobicContact SD-CB 3.55Å; M173-P215 VanDerWaalsContact SD-CB 3.55Å; M173-P215 HydrophobicContact SD-CG 3.83Å; M173-L237 HydrophobicContact CE-CD1 3.29Å; M173-L237 HydrophobicContact CE-CD2 3.71Å; M173-L237 HydrophobicContact CE-CG 3.79Å; M173-L240 HydrophobicContact CE-CD2 3.74Å; M173-L240 HydrophobicContact CE-CG 4.31Å
174R75Confident76.7Confident71 Ų7150.7 Ų50.727%0.26827%0.272SS..EExtended strand (participates in β ladder)trans-94.1119.5174.8-153.3175.8-166.5-172.53.3109.1D198 V210 G211 L212 L238 T239R174-D198 IonicContact CZ-OD2 3.15Å; R174-D198 IonicContact NE-OD2 2.79Å; R174-D198 PolarHBondContact NE-OD2 2.71Å; R174-D198 VanDerWaalsContact NH2-CG 3.31Å; R174-D198 IonicContact NH2-OD2 2.75Å; R174-D198 PolarHBondContact NH2-OD2 2.87Å; R174-V210 HydrophobicContact CG-CG1 4.09Å; R174-G211 WeakPolarHBondContact CA-O 3.45Å; R174-L212 HydrophobicContact CB-CD2 4.08Å; R174-L212 HydrophobicContact CG-CD2 4.14Å; R174-L238 PolarHBondContact O-N 2.97Å; R174-L238 VanDerWaalsContact O-N 3.08Å; R174-T239 PolarHBondContact N-O 2.95Å; R174-T239 PolarHBondContact O-N 3.13Å; R174-T239 VanDerWaalsContact O-N 3.09Å
175V78.9Confident76.2Confident0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-131.6133.7-170.5-161.80000108.8M173 V210 G211 I213 F218 L235 E236M173-V175 HydrophobicContact CB-CG2 4.06Å; V175-V210 WeakPolarHBondContact O-CA 3.35Å; V175-G211 PolarHBondContact N-O 3.27Å; V175-G211 PolarHBondContact O-N 2.92Å; V175-I213 HydrophobicContact CB-CD1 3.77Å; V175-I213 HydrophobicContact CB-CG1 4.01Å; V175-I213 HydrophobicContact CG1-CD1 4.29Å; V175-I213 HydrophobicContact CG2-CD1 3.24Å; V175-I213 HydrophobicContact CG2-CG1 3.37Å; V175-F218 HydrophobicContact CG1-CE2 4.03Å; V175-F218 HydrophobicContact CG2-CD2 4.3Å; V175-F218 HydrophobicContact CG2-CE2 4.4Å; V175-L235 HydrophobicContact CG1-CD1 3.71Å; V175-L235 HydrophobicContact CG1-CD2 4.34Å; V175-L235 HydrophobicContact CG1-CG 3.8Å; V175-E236 VanDerWaalsContact CG1-O 3.28Å; V175-E236 WeakPolarHBondContact CG1-O 3.49Å
176R82Confident75.8Confident90 Ų9047.7 Ų47.734%0.3426%0.262SS..EExtended strand (participates in β ladder)trans-97.5134.4172.9175.7-179.4-99.9172.5-13108.3E208 M209 V210 E236 L238R176-E208 HydrophobicContact CG-CG 4.29Å; R176-E208 IonicContact CZ-OE1 2.72Å; R176-E208 IonicContact NE-OE1 2.99Å; R176-E208 PolarHBondContact NE-OE1 2.9Å; R176-E208 IonicContact NH2-OE1 2.66Å; R176-E208 PolarHBondContact NH2-OE1 2.86Å; R176-M209 CarbonylContact C-O 3.58Å; R176-M209 WeakPolarHBondContact CA-O 3.49Å; R176-V210 HydrophobicContact CB-CG2 3.99Å; R176-V210 HydrophobicContact CG-CG2 4.01Å; R176-E236 HydrophobicContact CB-CB 4.21Å; R176-E236 PolarHBondContact N-O 2.79Å; R176-E236 PolarHBondContact O-N 3.08Å; R176-E236 VanDerWaalsContact O-O 3.08Å; R176-L238 HydrophobicContact CB-CD1 3.72Å; R176-L238 HydrophobicContact CB-CG 3.92Å
177I82Confident75.3Confident1 Ų146.3 Ų46.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-120.9137173.2-24.9175.2000107.8L179 L191 F194 E208 M209 L221 V225 Q234 L235I177-L179 HydrophobicContact CG2-CD1 4.4Å; I177-L179 HydrophobicContact CG2-CG 4.14Å; I177-L191 HydrophobicContact CD1-CD1 4.16Å; I177-L191 HydrophobicContact CD1-CD2 3.5Å; I177-L191 HydrophobicContact CD1-CG 4.48Å; I177-F194 HydrophobicContact CD1-CD2 4.43Å; I177-F194 HydrophobicContact CD1-CE2 3.29Å; I177-F194 HydrophobicContact CD1-CZ 3.39Å; I177-F194 HydrophobicContact CG1-CE2 4.2Å; I177-F194 HydrophobicContact CG1-CZ 3.78Å; I177-E208 CarbonylContact O-C 3.58Å; I177-E208 WeakPolarHBondContact O-CA 3.47Å; I177-M209 HydrophobicContact CD1-CE 3.7Å; I177-M209 PolarHBondContact N-O 3.46Å; I177-M209 PolarHBondContact O-N 3.4Å; I177-L221 HydrophobicContact CD1-CD1 4.2Å; I177-L221 HydrophobicContact CD1-CD2 4.27Å; I177-V225 HydrophobicContact CG2-CB 4.4Å; I177-V225 HydrophobicContact CG2-CG1 3.92Å; I177-V225 HydrophobicContact CG2-CG2 3.52Å; I177-Q234 WeakPolarHBondContact CA-O 3.35Å; I177-L235 HydrophobicContact CB-CD1 4.4Å; I177-L235 HydrophobicContact CG1-CD1 4.04Å; I177-L235 HydrophobicContact CG2-CD1 3.98Å
178F81.2Confident74.7Confident71 Ų7147.4 Ų47.431%0.31125%0.253SS..EExtended strand (participates in β ladder)trans-119123.5169.4-178.9-93.7000109.2N206 L207 E208 G233 Q234F178-N206 HydrophobicContact CE2-CB 3.91Å; F178-N206 HydrophobicContact CZ-CB 3.83Å; F178-L207 WeakPolarHBondContact CA-O 3.27Å; F178-E208 HydrophobicContact CD2-CB 4.42Å; F178-G233 CarbonylContact O-C 3.54Å; F178-G233 VanDerWaalsContact O-CA 3.31Å; F178-G233 WeakPolarHBondContact O-CA 3.43Å; F178-Q234 HydrophobicContact CB-CB 4.26Å; F178-Q234 PolarHBondContact N-O 3.39Å; F178-Q234 PolarHBondContact O-N 2.8Å
179L81.3Confident74.1Confident0 Ų055.3 Ų55.30%029%0.29CS..EExtended strand (participates in β ladder)trans-126.7123.7-176.2-71164.1000109.6I177 A184 A187 L191 N206 L207 V225 A229I177-L179 HydrophobicContact CG2-CD1 4.4Å; I177-L179 HydrophobicContact CG2-CG 4.14Å; L179-A184 HydrophobicContact CB-CB 4.42Å; L179-A187 HydrophobicContact CD1-CB 3.61Å; L179-A187 HydrophobicContact CD2-CB 4.08Å; L179-A187 HydrophobicContact CG-CB 4.45Å; L179-L191 HydrophobicContact CD1-CD1 4.12Å; L179-N206 CarbonylContact O-C 3.48Å; L179-N206 WeakPolarHBondContact O-CA 3.49Å; L179-L207 HydrophobicContact CB-CB 4.24Å; L179-L207 HydrophobicContact CD1-CD2 3.89Å; L179-L207 HydrophobicContact CD1-CG 4.48Å; L179-L207 PolarHBondContact N-O 3.09Å; L179-L207 PolarHBondContact O-N 2.85Å; L179-V225 HydrophobicContact CD2-CG1 3.96Å; L179-A229 HydrophobicContact CD2-CB 3.89Å
180P78.7Confident73.7Confident30 Ų3055.4 Ų55.420%0.19529%0.289CS..  trans-72.4157.3179.426.3-31.8000113.1G182 A183 A184 N206 K232P180-G182 VanDerWaalsContact C-N 3.25Å; P180-G182 PolarHBondContact O-N 3.5Å; P180-A183 PolarHBondContact O-N 3.26Å; P180-A184 PolarHBondContact O-N 2.9Å; P180-N206 VanDerWaalsContact CA-OD1 3.26Å; P180-N206 WeakPolarHBondContact CA-OD1 3.49Å; P180-K232 HydrophobicContact CG-CB 3.95Å
181A74.7Confident73.4Confident53 Ų5351.4 Ų51.444%0.43828%0.275SS..THydrogen-bonded Turntrans-50.8-31.8-169.500000117.7A183 G205 N206A181-A183 VanDerWaalsContact C-N 3.29Å; A181-A183 PolarHBondContact O-N 2.85Å; A181-G205 WeakPolarHBondContact CA-O 3.34Å; A181-G205 WeakPolarHBondContact CB-O 3.28Å; A181-N206 PolarHBondContact N-OD1 3.08Å
182G70.2Confident73.3Confident89 Ų8959.1 Ų59.192%0.91830%0.304SS*.THydrogen-bonded Turntrans-71.6-18.4179.200000115P180P180-G182 VanDerWaalsContact C-N 3.25Å; P180-G182 PolarHBondContact O-N 3.5Å
183A70.1Confident73.1Confident12 Ų1256.8 Ų56.810%0.09930%0.295CS..THydrogen-bonded Turntrans-123.2-14.4-173.700000114P180 A181 K185 A186 A187 D228 A229P180-A183 PolarHBondContact O-N 3.26Å; A181-A183 VanDerWaalsContact C-N 3.29Å; A181-A183 PolarHBondContact O-N 2.85Å; A183-K185 PolarHBondContact O-N 3.37Å; A183-A186 PolarHBondContact O-N 3.33Å; A183-A187 WeakPolarHBondContact O-CB 3.4Å; A183-A187 PolarHBondContact O-N 2.93Å; A183-D228 WeakPolarHBondContact CB-O 3.35Å; A183-A229 HydrophobicContact CB-CB 4.34Å
184A68.3Low72.8Confident0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-53.4-48-173.400000114.1L179 P180 K188 W202 L207L179-A184 HydrophobicContact CB-CB 4.42Å; P180-A184 PolarHBondContact O-N 2.9Å; A184-K188 WeakPolarHBondContact O-CB 3.21Å; A184-K188 PolarHBondContact O-N 3.47Å; A184-W202 HydrophobicContact CB-CH2 3.63Å; A184-W202 HydrophobicContact CB-CZ2 4.49Å; A184-W202 HydrophobicContact CB-CZ3 3.76Å; A184-L207 HydrophobicContact CB-CB 3.56Å; A184-L207 HydrophobicContact CB-CD2 4.32Å
185K70.2Confident72.3Confident166 Ų16658.5 Ų58.572%0.72231%0.309SS*.Hα-helixtrans-66.6-43.7-178.8-77.3-172.8176.1178.40113.2A183 K188 E189 W202A183-K185 PolarHBondContact O-N 3.37Å; K185-K188 PolarHBondContact O-N 2.93Å; K185-E189 PolarHBondContact O-N 3.13Å; K185-W202 HydrophobicContact CG-CH2 3.65Å; K185-W202 HydrophobicContact CG-CZ3 4.25Å
186A70.8Confident71.9Confident52 Ų5264.8 Ų64.843%0.4334%0.336SS..Hα-helixtrans-70.5-36.8-178.900000112A183A183-A186 PolarHBondContact O-N 3.33Å
187A69.3Low71.6Confident3 Ų363.5 Ų63.53%0.02534%0.338CS..Hα-helixtrans-68.1-42.2174.400000111L179 A183 E189 K190 L191 D228L179-A187 HydrophobicContact CD1-CB 3.61Å; L179-A187 HydrophobicContact CD2-CB 4.08Å; L179-A187 HydrophobicContact CG-CB 4.45Å; A183-A187 WeakPolarHBondContact O-CB 3.4Å; A183-A187 PolarHBondContact O-N 2.93Å; A187-E189 VanDerWaalsContact C-N 3.31Å; A187-E189 PolarHBondContact O-N 2.97Å; A187-K190 CarbonylContact O-C 3.45Å; A187-K190 WeakPolarHBondContact O-CA 3.31Å; A187-K190 PolarHBondContact O-N 3.46Å; A187-L191 VanDerWaalsContact O-CG 3.32Å; A187-L191 WeakPolarHBondContact O-CG 3.44Å; A187-L191 PolarHBondContact O-N 3.45Å; A187-L191 VanDerWaalsContact O-N 3.12Å; A187-D228 HydrophobicContact CB-CB 4.13Å
188K69Low71.3Confident91 Ų9165.5 Ų65.540%0.39635%0.349SS..Hα-helixtrans-53.8-43.2179.4-174.9177.6177.6171.60113.2A184 K185 K190 L191 E200 W202 L207A184-K188 WeakPolarHBondContact O-CB 3.21Å; A184-K188 PolarHBondContact O-N 3.47Å; K185-K188 PolarHBondContact O-N 2.93Å; K188-K190 PolarHBondContact O-N 3.16Å; K188-L191 WeakPolarHBondContact O-CB 3.45Å; K188-L191 PolarHBondContact O-N 3.44Å; K188-L191 VanDerWaalsContact O-N 3.14Å; K188-E200 WeakPolarHBondContact CE-OE1 3.24Å; K188-E200 IonicContact NZ-OE1 2.74Å; K188-E200 PolarHBondContact NZ-OE1 3.32Å; K188-E200 IonicContact NZ-OE2 3.01Å; K188-E200 PolarHBondContact NZ-OE2 2.93Å; K188-W202 HydrophobicContact CD-CZ2 4.23Å; K188-L207 HydrophobicContact CB-CD2 4.16Å
189E70.2Confident71Confident173 Ų17368 Ų6881%0.80836%0.361SS*.Hα-helixtrans-63.3-24.8176.9-74.5-173.9158.900113.3K185 A187K185-E189 PolarHBondContact O-N 3.13Å; A187-E189 VanDerWaalsContact C-N 3.31Å; A187-E189 PolarHBondContact O-N 2.97Å
190K68.6Low71Confident85 Ų8571.6 Ų71.637%0.3738%0.378SS..Hα-helixtrans-95.8-0.9177.8-57.6-172.1-156.2154.50113.7A187 K188 Y192 L224 D228A187-K190 CarbonylContact O-C 3.45Å; A187-K190 WeakPolarHBondContact O-CA 3.31Å; A187-K190 PolarHBondContact O-N 3.46Å; K188-K190 PolarHBondContact O-N 3.16Å; K190-Y192 WeakPolarHBondContact O-CD1 3.48Å; K190-Y192 WeakPolarHBondContact O-CE1 3.36Å; K190-Y192 PolarHBondContact O-N 3.25Å; K190-Y192 VanDerWaalsContact O-N 3.12Å; K190-L224 HydrophobicContact CB-CD2 4.29Å; K190-L224 HydrophobicContact CD-CD2 4Å; K190-D228 VanDerWaalsContact CD-OD2 3.31Å; K190-D228 WeakPolarHBondContact CD-OD2 3.46Å; K190-D228 WeakPolarHBondContact CE-OD2 3.09Å; K190-D228 IonicContact NZ-OD1 2.64Å; K190-D228 PolarHBondContact NZ-OD1 3.31Å; K190-D228 IonicContact NZ-OD2 2.69Å; K190-D228 PolarHBondContact NZ-OD2 3.1Å
191L67.6Low71.1Confident14 Ų1473.5 Ų73.57%0.07339%0.389CS..  trans-80.524.9177.6-69.3167.6000113.3I177 L179 A187 K188 C193 F194 M209 L221I177-L191 HydrophobicContact CD1-CD1 4.16Å; I177-L191 HydrophobicContact CD1-CD2 3.5Å; I177-L191 HydrophobicContact CD1-CG 4.48Å; L179-L191 HydrophobicContact CD1-CD1 4.12Å; A187-L191 VanDerWaalsContact O-CG 3.32Å; A187-L191 WeakPolarHBondContact O-CG 3.44Å; A187-L191 PolarHBondContact O-N 3.45Å; A187-L191 VanDerWaalsContact O-N 3.12Å; K188-L191 WeakPolarHBondContact O-CB 3.45Å; K188-L191 PolarHBondContact O-N 3.44Å; K188-L191 VanDerWaalsContact O-N 3.14Å; L191-C193 PolarHBondContact O-N 3.3Å; L191-F194 HydrophobicContact CB-CD2 4.21Å; L191-F194 HydrophobicContact CD2-CD2 4.18Å; L191-F194 HydrophobicContact CD2-CE2 3.89Å; L191-F194 PolarHBondContact O-N 2.98Å; L191-F194 VanDerWaalsContact O-N 3.14Å; L191-M209 HydrophobicContact CB-CE 4.06Å; L191-M209 HydrophobicContact CD1-CE 3.48Å; L191-M209 VanDerWaalsContact CD1-CE 3.48Å; L191-M209 HydrophobicContact CD1-SD 4.18Å; L191-M209 HydrophobicContact CD2-CE 4.24Å; L191-M209 HydrophobicContact CG-CE 4.11Å; L191-L221 HydrophobicContact CD2-CD1 3.35Å
192Y67.7Low71.3Confident166 Ų16675.9 Ų75.965%0.65139%0.387SS*.THydrogen-bonded Turntrans-59.4-9.617367.1-93.7000113.6K190 F194 M217K190-Y192 WeakPolarHBondContact O-CD1 3.48Å; K190-Y192 WeakPolarHBondContact O-CE1 3.36Å; K190-Y192 PolarHBondContact O-N 3.25Å; K190-Y192 VanDerWaalsContact O-N 3.12Å; Y192-F194 PolarHBondContact O-N 3.1Å; Y192-M217 HydrophobicContact CE2-CE 4.4Å
193C66.3Low71.5Confident11 Ų1178.4 Ų78.47%0.07437%0.374CS..THydrogen-bonded Turntrans-68.4-22.5176.7-38.30000112.5L191 I213 M217 L221L191-C193 PolarHBondContact O-N 3.3Å; C193-I213 WeakPolarHBondContact O-CG2 3.37Å; C193-M217 HydrophobicContact CB-CB 4.31Å; C193-M217 HydrophobicContact CB-CE 4.08Å; C193-L221 HydrophobicContact CB-CD1 4.43Å
194F66.5Low71.5Confident22 Ų2285.3 Ų85.310%0.09641%0.41CS..EExtended strand (participates in β ladder)trans-73.9124.6177.8-81.4-93.3000110.9I177 L191 Y192 V197 M209 G211 I213 L221I177-F194 HydrophobicContact CD1-CD2 4.43Å; I177-F194 HydrophobicContact CD1-CE2 3.29Å; I177-F194 HydrophobicContact CD1-CZ 3.39Å; I177-F194 HydrophobicContact CG1-CE2 4.2Å; I177-F194 HydrophobicContact CG1-CZ 3.78Å; L191-F194 HydrophobicContact CB-CD2 4.21Å; L191-F194 HydrophobicContact CD2-CD2 4.18Å; L191-F194 HydrophobicContact CD2-CE2 3.89Å; L191-F194 PolarHBondContact O-N 2.98Å; L191-F194 VanDerWaalsContact O-N 3.14Å; Y192-F194 PolarHBondContact O-N 3.1Å; F194-V197 HydrophobicContact CB-CG2 4Å; F194-V197 HydrophobicContact CG-CG2 4.37Å; F194-M209 HydrophobicContact CD1-CE 4.2Å; F194-M209 HydrophobicContact CD2-CE 3.46Å; F194-M209 VanDerWaalsContact CD2-CE 3.46Å; F194-M209 HydrophobicContact CE1-CE 4.2Å; F194-M209 HydrophobicContact CE2-CE 3.5Å; F194-M209 HydrophobicContact CG-CE 3.84Å; F194-M209 HydrophobicContact CZ-CE 3.88Å; F194-G211 VanDerWaalsContact CE1-C 3.48Å; F194-I213 HydrophobicContact CB-CG2 4.33Å; F194-I213 HydrophobicContact CD1-CG2 3.69Å; F194-I213 HydrophobicContact CD2-CG2 3.89Å; F194-I213 HydrophobicContact CE1-CG1 4.44Å; F194-I213 HydrophobicContact CE1-CG2 3.8Å; F194-I213 HydrophobicContact CE2-CG2 3.95Å; F194-I213 HydrophobicContact CG-CG2 3.74Å; F194-I213 HydrophobicContact CZ-CG2 3.92Å; F194-L221 HydrophobicContact CD2-CD1 4.23Å; F194-L221 HydrophobicContact CE2-CD1 3.52Å; F194-L221 HydrophobicContact CE2-CD2 3.67Å; F194-L221 HydrophobicContact CE2-CG 4.26Å; F194-L221 HydrophobicContact CZ-CD1 4.42Å; F194-L221 HydrophobicContact CZ-CD2 3.75Å
195D65.6Low71.7Confident100 Ų10086.8 Ų86.854%0.53543%0.425SS..EExtended strand (participates in β ladder)trans-80.9-36.3178.2-152.826.8000110.1K172 L212K172-D195 VanDerWaalsContact CE-OD2 3.24Å; K172-D195 WeakPolarHBondContact CE-OD2 3.31Å; K172-D195 IonicContact NZ-OD2 3.81Å; K172-D195 PolarHBondContact NZ-OD2 2.72Å; D195-L212 PolarHBondContact N-O 2.69Å
196K69.2Low72.1Confident132 Ų13281.4 Ų81.457%0.57440%0.404SS*.EExtended strand (participates in β ladder)trans-147.1132.7172.4-165.6179.6179.3-169.90110.3G211 L212K196-G211 CarbonylContact O-C 3.53Å; K196-G211 WeakPolarHBondContact O-CA 3.35Å; K196-L212 HydrophobicContact CB-CB 4.44Å; K196-L212 HydrophobicContact CB-CD1 4.28Å; K196-L212 HydrophobicContact CD-CD1 4.49Å; K196-L212 PolarHBondContact O-N 3.27Å
197V76.9Confident72.6Confident63 Ų6378.9 Ų78.938%0.38238%0.384SS..EExtended strand (participates in β ladder)trans-98.8123.8172.9-179.10000107.7F194 E200 M209F194-V197 HydrophobicContact CB-CG2 4Å; F194-V197 HydrophobicContact CG-CG2 4.37Å; V197-E200 HydrophobicContact CG1-CB 4.36Å; V197-M209 HydrophobicContact CG1-CG 3.54Å; V197-M209 HydrophobicContact CG1-SD 3.86Å; V197-M209 HydrophobicContact CG2-CE 4.37Å; V197-M209 HydrophobicContact CG2-CG 4.49Å; V197-M209 HydrophobicContact CG2-SD 3.87Å
198D74.7Confident73.2Confident43 Ų4381.5 Ų81.523%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-90.8-44.8-179.9-67.8-35.8000111.5R174 V210R174-D198 IonicContact CZ-OD2 3.15Å; R174-D198 IonicContact NE-OD2 2.79Å; R174-D198 PolarHBondContact NE-OD2 2.71Å; R174-D198 VanDerWaalsContact NH2-CG 3.31Å; R174-D198 IonicContact NH2-OD2 2.75Å; R174-D198 PolarHBondContact NH2-OD2 2.87Å; D198-V210 PolarHBondContact N-O 3.46Å
199H75.6Confident73.6Confident123 Ų12377.4 Ų77.457%0.56938%0.378SS*.EExtended strand (participates in β ladder)trans-135.7132.2179.9-74.9-71.7000110.6M209 V210H199-M209 CarbonylContact O-C 3.55Å; H199-M209 WeakPolarHBondContact O-CA 3.44Å; H199-V210 HydrophobicContact CB-CB 4.26Å; H199-V210 PolarHBondContact N-O 2.81Å; H199-V210 VanDerWaalsContact N-O 3.09Å; H199-V210 PolarHBondContact O-N 2.93Å
200E80.7Confident74.2Confident76 Ų7669.7 Ų69.736%0.35534%0.342SS..EExtended strand (participates in β ladder)trans-129116.5171.6-169-173.8158.700107.8K188 V197 W202 L207 M209K188-E200 WeakPolarHBondContact CE-OE1 3.24Å; K188-E200 IonicContact NZ-OE1 2.74Å; K188-E200 PolarHBondContact NZ-OE1 3.32Å; K188-E200 IonicContact NZ-OE2 3.01Å; K188-E200 PolarHBondContact NZ-OE2 2.93Å; V197-E200 HydrophobicContact CG1-CB 4.36Å; E200-W202 PolarHBondContact OE1-NE1 2.79Å; E200-L207 HydrophobicContact CG-CD1 3.68Å; E200-M209 HydrophobicContact CG-CG 4.48Å
201V80.6Confident74.7Confident70 Ų7065.6 Ų65.642%0.42433%0.325SS..EExtended strand (participates in β ladder)trans-121.6128.9179.2-176.90000108.6E208V201-E208 HydrophobicContact CB-CB 4.46Å; V201-E208 PolarHBondContact N-O 2.77Å; V201-E208 PolarHBondContact O-N 2.83Å
202W78.5Confident75.2Confident102 Ų10265.4 Ų65.439%0.38632%0.324SS..EExtended strand (participates in β ladder)trans-111.1118.6171.3-76.173.6000108.8A184 K185 K188 E200 N206 L207A184-W202 HydrophobicContact CB-CH2 3.63Å; A184-W202 HydrophobicContact CB-CZ2 4.49Å; A184-W202 HydrophobicContact CB-CZ3 3.76Å; K185-W202 HydrophobicContact CG-CH2 3.65Å; K185-W202 HydrophobicContact CG-CZ3 4.25Å; K188-W202 HydrophobicContact CD-CZ2 4.23Å; E200-W202 PolarHBondContact OE1-NE1 2.79Å; W202-N206 WeakPolarHBondContact CA-O 3.48Å; W202-L207 HydrophobicContact CD2-CB 4.44Å; W202-L207 HydrophobicContact CD2-CD1 4.43Å; W202-L207 HydrophobicContact CH2-CB 4.44Å; W202-L207 HydrophobicContact CZ2-CB 4.24Å; W202-L207 HydrophobicContact CZ2-CD1 4.14Å; W202-L207 HydrophobicContact CZ2-CD2 4.13Å; W202-L207 HydrophobicContact CZ2-CG 4.41Å
203E75.1Confident75.5Confident142 Ų14257.5 Ų57.566%0.66429%0.293SS*.EExtended strand (participates in β ladder)trans-138.7124.6179-156.2172.9-149.900110G205 N206E203-G205 PolarHBondContact O-N 3.42Å; E203-N206 PolarHBondContact N-O 3.09Å; E203-N206 WeakPolarHBondContact O-CA 3.17Å; E203-N206 WeakPolarHBondContact O-CB 3.45Å; E203-N206 PolarHBondContact O-N 3.06Å
204D70.4Confident75.7Confident157 Ų15759.8 Ų59.884%0.8430%0.304SS*.THydrogen-bonded Turntrans47.936-174.3-69-23.7000114.7N206D204-N206 PolarHBondContact O-N 2.78Å
205G72.3Confident75.7Confident32 Ų3261.3 Ų61.333%0.3332%0.316SS..THydrogen-bonded Turntrans81.5-14.4-177.700000114.3A181 E203A181-G205 WeakPolarHBondContact CA-O 3.34Å; A181-G205 WeakPolarHBondContact CB-O 3.28Å; E203-G205 PolarHBondContact O-N 3.42Å
206N78.7Confident75.5Confident52 Ų5259.6 Ų59.628%0.27832%0.323SS..EExtended strand (participates in β ladder)trans-71.6141.3172.5-57.3-35.2000109.9F178 L179 P180 A181 W202 E203 D204F178-N206 HydrophobicContact CE2-CB 3.91Å; F178-N206 HydrophobicContact CZ-CB 3.83Å; L179-N206 CarbonylContact O-C 3.48Å; L179-N206 WeakPolarHBondContact O-CA 3.49Å; P180-N206 VanDerWaalsContact CA-OD1 3.26Å; P180-N206 WeakPolarHBondContact CA-OD1 3.49Å; A181-N206 PolarHBondContact N-OD1 3.08Å; W202-N206 WeakPolarHBondContact CA-O 3.48Å; E203-N206 PolarHBondContact N-O 3.09Å; E203-N206 WeakPolarHBondContact O-CA 3.17Å; E203-N206 WeakPolarHBondContact O-CB 3.45Å; E203-N206 PolarHBondContact O-N 3.06Å; D204-N206 PolarHBondContact O-N 2.78Å
207L80.4Confident75.3Confident0 Ų055.8 Ų55.80%031%0.307CS..EExtended strand (participates in β ladder)trans-107.6118.9176.9165.665.5000108.6F178 L179 A184 K188 E200 W202 M209F178-L207 WeakPolarHBondContact CA-O 3.27Å; L179-L207 HydrophobicContact CB-CB 4.24Å; L179-L207 HydrophobicContact CD1-CD2 3.89Å; L179-L207 HydrophobicContact CD1-CG 4.48Å; L179-L207 PolarHBondContact N-O 3.09Å; L179-L207 PolarHBondContact O-N 2.85Å; A184-L207 HydrophobicContact CB-CB 3.56Å; A184-L207 HydrophobicContact CB-CD2 4.32Å; K188-L207 HydrophobicContact CB-CD2 4.16Å; E200-L207 HydrophobicContact CG-CD1 3.68Å; W202-L207 HydrophobicContact CD2-CB 4.44Å; W202-L207 HydrophobicContact CD2-CD1 4.43Å; W202-L207 HydrophobicContact CH2-CB 4.44Å; W202-L207 HydrophobicContact CZ2-CB 4.24Å; W202-L207 HydrophobicContact CZ2-CD1 4.14Å; W202-L207 HydrophobicContact CZ2-CD2 4.13Å; W202-L207 HydrophobicContact CZ2-CG 4.41Å; L207-M209 HydrophobicContact CD1-CB 4.35Å
208E82Confident74.9Confident57 Ų5755 Ų5527%0.26630%0.299SS..EExtended strand (participates in β ladder)trans-106.6125165.3-165.3-174144.900108.6R176 I177 F178 V201R176-E208 HydrophobicContact CG-CG 4.29Å; R176-E208 IonicContact CZ-OE1 2.72Å; R176-E208 IonicContact NE-OE1 2.99Å; R176-E208 PolarHBondContact NE-OE1 2.9Å; R176-E208 IonicContact NH2-OE1 2.66Å; R176-E208 PolarHBondContact NH2-OE1 2.86Å; I177-E208 CarbonylContact O-C 3.58Å; I177-E208 WeakPolarHBondContact O-CA 3.47Å; F178-E208 HydrophobicContact CD2-CB 4.42Å; V201-E208 HydrophobicContact CB-CB 4.46Å; V201-E208 PolarHBondContact N-O 2.77Å; V201-E208 PolarHBondContact O-N 2.83Å
209M78.7Confident74.6Confident5 Ų561.6 Ų61.63%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-132.8129.2-179.9-164.9177.572.800110.3R176 I177 L191 F194 V197 H199 E200 L207R176-M209 CarbonylContact C-O 3.58Å; R176-M209 WeakPolarHBondContact CA-O 3.49Å; I177-M209 HydrophobicContact CD1-CE 3.7Å; I177-M209 PolarHBondContact N-O 3.46Å; I177-M209 PolarHBondContact O-N 3.4Å; L191-M209 HydrophobicContact CB-CE 4.06Å; L191-M209 HydrophobicContact CD1-CE 3.48Å; L191-M209 VanDerWaalsContact CD1-CE 3.48Å; L191-M209 HydrophobicContact CD1-SD 4.18Å; L191-M209 HydrophobicContact CD2-CE 4.24Å; L191-M209 HydrophobicContact CG-CE 4.11Å; F194-M209 HydrophobicContact CD1-CE 4.2Å; F194-M209 HydrophobicContact CD2-CE 3.46Å; F194-M209 VanDerWaalsContact CD2-CE 3.46Å; F194-M209 HydrophobicContact CE1-CE 4.2Å; F194-M209 HydrophobicContact CE2-CE 3.5Å; F194-M209 HydrophobicContact CG-CE 3.84Å; F194-M209 HydrophobicContact CZ-CE 3.88Å; V197-M209 HydrophobicContact CG1-CG 3.54Å; V197-M209 HydrophobicContact CG1-SD 3.86Å; V197-M209 HydrophobicContact CG2-CE 4.37Å; V197-M209 HydrophobicContact CG2-CG 4.49Å; V197-M209 HydrophobicContact CG2-SD 3.87Å; H199-M209 CarbonylContact O-C 3.55Å; H199-M209 WeakPolarHBondContact O-CA 3.44Å; E200-M209 HydrophobicContact CG-CG 4.48Å; L207-M209 HydrophobicContact CD1-CB 4.35Å
210V82.2Confident74.4Confident11 Ų1160.1 Ų60.17%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-114.7128.6173.2-179.60000108.3R174 V175 R176 D198 H199 L238R174-V210 HydrophobicContact CG-CG1 4.09Å; V175-V210 WeakPolarHBondContact O-CA 3.35Å; R176-V210 HydrophobicContact CB-CG2 3.99Å; R176-V210 HydrophobicContact CG-CG2 4.01Å; D198-V210 PolarHBondContact N-O 3.46Å; H199-V210 HydrophobicContact CB-CB 4.26Å; H199-V210 PolarHBondContact N-O 2.81Å; H199-V210 VanDerWaalsContact N-O 3.09Å; H199-V210 PolarHBondContact O-N 2.93Å; V210-L238 HydrophobicContact CB-CD1 4.45Å; V210-L238 HydrophobicContact CG1-CD1 3.56Å; V210-L238 HydrophobicContact CG2-CD1 4.02Å
211G79.6Confident74.1Confident0 Ų056.5 Ų56.50%030%0.297CS..EExtended strand (participates in β ladder)trans-162.8178.1175.300000113.9R174 V175 F194 K196R174-G211 WeakPolarHBondContact CA-O 3.45Å; V175-G211 PolarHBondContact N-O 3.27Å; V175-G211 PolarHBondContact O-N 2.92Å; F194-G211 VanDerWaalsContact CE1-C 3.48Å; K196-G211 CarbonylContact O-C 3.53Å; K196-G211 WeakPolarHBondContact O-CA 3.35Å
212L77.1Confident73.8Confident10 Ų1057.8 Ų57.85%0.05230%0.298CS..EExtended strand (participates in β ladder)trans-94.5128.8-178.9-66.4165.2000109.8K172 M173 R174 D195 K196 E242K172-L212 HydrophobicContact CB-CB 4.2Å; K172-L212 HydrophobicContact CB-CD2 4.11Å; K172-L212 HydrophobicContact CD-CB 4.48Å; M173-L212 CarbonylContact O-C 3.57Å; M173-L212 WeakPolarHBondContact O-CA 3.38Å; R174-L212 HydrophobicContact CB-CD2 4.08Å; R174-L212 HydrophobicContact CG-CD2 4.14Å; D195-L212 PolarHBondContact N-O 2.69Å; K196-L212 HydrophobicContact CB-CB 4.44Å; K196-L212 HydrophobicContact CB-CD1 4.28Å; K196-L212 HydrophobicContact CD-CD1 4.49Å; K196-L212 PolarHBondContact O-N 3.27Å; L212-E242 WeakPolarHBondContact CD1-OE2 2.93Å; L212-E242 HydrophobicContact CD2-CB 4.13Å; L212-E242 HydrophobicContact CD2-CG 4.37Å
213I74.2Confident73.7Confident0 Ų058 Ų580%030%0.304CS..EExtended strand (participates in β ladder)trans-132.6149.8176.536.6162.3000111.2M173 V175 C193 F194 F218 L221M173-I213 PolarHBondContact N-O 2.95Å; M173-I213 PolarHBondContact O-N 3.28Å; V175-I213 HydrophobicContact CB-CD1 3.77Å; V175-I213 HydrophobicContact CB-CG1 4.01Å; V175-I213 HydrophobicContact CG1-CD1 4.29Å; V175-I213 HydrophobicContact CG2-CD1 3.24Å; V175-I213 HydrophobicContact CG2-CG1 3.37Å; C193-I213 WeakPolarHBondContact O-CG2 3.37Å; F194-I213 HydrophobicContact CB-CG2 4.33Å; F194-I213 HydrophobicContact CD1-CG2 3.69Å; F194-I213 HydrophobicContact CD2-CG2 3.89Å; F194-I213 HydrophobicContact CE1-CG1 4.44Å; F194-I213 HydrophobicContact CE1-CG2 3.8Å; F194-I213 HydrophobicContact CE2-CG2 3.95Å; F194-I213 HydrophobicContact CG-CG2 3.74Å; F194-I213 HydrophobicContact CZ-CG2 3.92Å; I213-F218 HydrophobicContact CD1-CD2 4.03Å; I213-L221 HydrophobicContact CD1-CD2 3.44Å; I213-L221 VanDerWaalsContact CD1-CD2 3.44Å
214D70Confident73.7Confident58 Ų5853.1 Ų53.131%0.3128%0.282SS..  trans-66.7135.7168.9-89.8-49.4000110.8G216 M217 F218D214-G216 PolarHBondContact O-N 2.78Å; D214-M217 HydrophobicContact CB-CG 4.2Å; D214-M217 PolarHBondContact O-N 3.5Å; D214-F218 PolarHBondContact O-N 3.41Å
215P66.1Low74Confident54 Ų5445.9 Ų45.935%0.35124%0.243SC..THydrogen-bonded Turntrans-53.9-30177.2-19.522.6000113.7A171 M173 M217 F218A171-P215 WeakPolarHBondContact O-CD 3.42Å; A171-P215 VanDerWaalsContact O-CG 3.31Å; A171-P215 WeakPolarHBondContact O-CG 3.21Å; M173-P215 HydrophobicContact CG-CB 4.27Å; M173-P215 HydrophobicContact CG-CG 3.87Å; M173-P215 VanDerWaalsContact SD-CA 3.59Å; M173-P215 HydrophobicContact SD-CB 3.55Å; M173-P215 VanDerWaalsContact SD-CB 3.55Å; M173-P215 HydrophobicContact SD-CG 3.83Å; P215-M217 VanDerWaalsContact C-N 3.29Å; P215-M217 PolarHBondContact O-N 3.24Å; P215-F218 WeakPolarHBondContact O-CB 3.34Å; P215-F218 PolarHBondContact O-N 3.46Å
216G62.8Low74.2Confident65 Ų6547.5 Ų47.567%0.6725%0.249SC*.THydrogen-bonded Turntrans-67.7-27.8177.300000113.7D214D214-G216 PolarHBondContact O-N 2.78Å
217M65.6Low74Confident51 Ų5153 Ų5325%0.25127%0.271SS..THydrogen-bonded Turntrans-90.1-13.8-179.4-61.9-62.7-77.800112.5Y192 C193 D214 P215 R219 Q220 L221Y192-M217 HydrophobicContact CE2-CE 4.4Å; C193-M217 HydrophobicContact CB-CB 4.31Å; C193-M217 HydrophobicContact CB-CE 4.08Å; D214-M217 HydrophobicContact CB-CG 4.2Å; D214-M217 PolarHBondContact O-N 3.5Å; P215-M217 VanDerWaalsContact C-N 3.29Å; P215-M217 PolarHBondContact O-N 3.24Å; M217-R219 VanDerWaalsContact C-N 3.29Å; M217-R219 PolarHBondContact O-N 2.88Å; M217-Q220 WeakPolarHBondContact O-CB 2.97Å; M217-Q220 PolarHBondContact O-N 3.2Å; M217-Q220 PolarHBondContact SD-OE1 2.83Å; M217-Q220 VanDerWaalsContact SD-OE1 3.41Å; M217-L221 PolarHBondContact O-N 2.96Å
218F66.5Low73.5Confident47 Ų4754.9 Ų54.921%0.20628%0.281CS..Hα-helixtrans-51.6-44.8-179.1-177.1-91.2000112.9V175 I213 D214 P215 Q220 L221 E222 L235 L237V175-F218 HydrophobicContact CG1-CE2 4.03Å; V175-F218 HydrophobicContact CG2-CD2 4.3Å; V175-F218 HydrophobicContact CG2-CE2 4.4Å; I213-F218 HydrophobicContact CD1-CD2 4.03Å; D214-F218 PolarHBondContact O-N 3.41Å; P215-F218 WeakPolarHBondContact O-CB 3.34Å; P215-F218 PolarHBondContact O-N 3.46Å; F218-Q220 VanDerWaalsContact C-N 3.35Å; F218-Q220 PolarHBondContact O-N 2.66Å; F218-L221 WeakPolarHBondContact O-CB 3.37Å; F218-L221 PolarHBondContact O-N 3.32Å; F218-E222 WeakPolarHBondContact O-CB 3.23Å; F218-E222 PolarHBondContact O-N 3.17Å; F218-L235 HydrophobicContact CD2-CD2 4.19Å; F218-L235 HydrophobicContact CE1-CD2 4.09Å; F218-L235 HydrophobicContact CE2-CD2 3.44Å; F218-L235 VanDerWaalsContact CE2-CD2 3.44Å; F218-L235 HydrophobicContact CE2-CG 4.34Å; F218-L235 HydrophobicContact CZ-CD2 3.38Å; F218-L235 HydrophobicContact CZ-CG 4.49Å; F218-L237 HydrophobicContact CD2-CD1 4.35Å; F218-L237 HydrophobicContact CE2-CD1 3.63Å; F218-L237 HydrophobicContact CE2-CG 4.19Å; F218-L237 HydrophobicContact CZ-CD1 3.86Å
219R68.7Low72.6Confident181 Ų18152.5 Ų52.568%0.68327%0.271SS*.Hα-helixtrans-67.4-34.9179.7-168175.1-175.7139.42112.7M217 Q223M217-R219 VanDerWaalsContact C-N 3.29Å; M217-R219 PolarHBondContact O-N 2.88Å; R219-Q223 WeakPolarHBondContact O-CG 3.16Å; R219-Q223 PolarHBondContact O-N 2.81Å
220Q72Confident72Confident93 Ų9361.5 Ų61.544%0.43531%0.31SS..Hα-helixtrans-70.7-40.9175.2-68.1-176.4-500110.4M217 F218 Q223 L224M217-Q220 WeakPolarHBondContact O-CB 2.97Å; M217-Q220 PolarHBondContact O-N 3.2Å; M217-Q220 PolarHBondContact SD-OE1 2.83Å; M217-Q220 VanDerWaalsContact SD-OE1 3.41Å; F218-Q220 VanDerWaalsContact C-N 3.35Å; F218-Q220 PolarHBondContact O-N 2.66Å; Q220-Q223 PolarHBondContact O-N 2.79Å; Q220-L224 WeakPolarHBondContact O-CB 3.24Å; Q220-L224 WeakPolarHBondContact O-CG 3.26Å; Q220-L224 PolarHBondContact O-N 3.46Å
221L73.5Confident71.2Confident0 Ų063.7 Ų63.70%034%0.335CS..Hα-helixtrans-59.8-50175.8-175.873.8000111.5I177 L191 C193 F194 I213 M217 F218 Q223 L224 V225 L235I177-L221 HydrophobicContact CD1-CD1 4.2Å; I177-L221 HydrophobicContact CD1-CD2 4.27Å; L191-L221 HydrophobicContact CD2-CD1 3.35Å; C193-L221 HydrophobicContact CB-CD1 4.43Å; F194-L221 HydrophobicContact CD2-CD1 4.23Å; F194-L221 HydrophobicContact CE2-CD1 3.52Å; F194-L221 HydrophobicContact CE2-CD2 3.67Å; F194-L221 HydrophobicContact CE2-CG 4.26Å; F194-L221 HydrophobicContact CZ-CD1 4.42Å; F194-L221 HydrophobicContact CZ-CD2 3.75Å; I213-L221 HydrophobicContact CD1-CD2 3.44Å; I213-L221 VanDerWaalsContact CD1-CD2 3.44Å; M217-L221 PolarHBondContact O-N 2.96Å; F218-L221 WeakPolarHBondContact O-CB 3.37Å; F218-L221 PolarHBondContact O-N 3.32Å; L221-Q223 VanDerWaalsContact C-N 3.3Å; L221-Q223 PolarHBondContact O-N 3.3Å; L221-L224 PolarHBondContact O-N 3.38Å; L221-L224 VanDerWaalsContact O-N 3.16Å; L221-V225 HydrophobicContact CG-CG2 4.38Å; L221-V225 WeakPolarHBondContact O-CB 3.36Å; L221-V225 VanDerWaalsContact O-CG2 3.28Å; L221-V225 WeakPolarHBondContact O-CG2 3.26Å; L221-V225 PolarHBondContact O-N 2.79Å; L221-L235 HydrophobicContact CD2-CD1 3.6Å; L221-L235 HydrophobicContact CG-CD1 4.15Å
222E74.9Confident70.6Confident97 Ų9771.3 Ų71.345%0.45337%0.368SS..Hα-helixtrans-57.4-43177.5-174-176.3-142.200111.7F218 V225 S226 L235F218-E222 WeakPolarHBondContact O-CB 3.23Å; F218-E222 PolarHBondContact O-N 3.17Å; E222-V225 PolarHBondContact O-N 3.38Å; E222-S226 VanDerWaalsContact O-CB 3.22Å; E222-S226 WeakPolarHBondContact O-CB 3.27Å; E222-S226 PolarHBondContact O-N 3.29Å; E222-L235 HydrophobicContact CB-CD2 4Å; E222-L235 HydrophobicContact CG-CD2 4.31Å
223Q77.5Confident70.1Confident107 Ų10771.8 Ų71.850%0.538%0.375SS..Hα-helixtrans-65.8-39.6176.7-76.1-176.96.400113R219 Q220 L221 K227R219-Q223 WeakPolarHBondContact O-CG 3.16Å; R219-Q223 PolarHBondContact O-N 2.81Å; Q220-Q223 PolarHBondContact O-N 2.79Å; L221-Q223 VanDerWaalsContact C-N 3.3Å; L221-Q223 PolarHBondContact O-N 3.3Å; Q223-K227 VanDerWaalsContact O-CB 3.31Å; Q223-K227 WeakPolarHBondContact O-CB 3.37Å; Q223-K227 PolarHBondContact O-N 3.1Å
224L75.4Confident70.1Confident39 Ų3977.7 Ų77.720%0.20440%0.402CS..Hα-helixtrans-64.4-48.4176-76.6169000110.8K190 Q220 L221 S226 K227 D228K190-L224 HydrophobicContact CB-CD2 4.29Å; K190-L224 HydrophobicContact CD-CD2 4Å; Q220-L224 WeakPolarHBondContact O-CB 3.24Å; Q220-L224 WeakPolarHBondContact O-CG 3.26Å; Q220-L224 PolarHBondContact O-N 3.46Å; L221-L224 PolarHBondContact O-N 3.38Å; L221-L224 VanDerWaalsContact O-N 3.16Å; L224-S226 PolarHBondContact O-N 3.33Å; L224-K227 PolarHBondContact O-N 2.95Å; L224-D228 WeakPolarHBondContact O-CB 3.48Å; L224-D228 PolarHBondContact O-N 3.03Å
225V76.2Confident70.4Confident4 Ų476.8 Ų76.82%0.02440%0.398CS..Hα-helixtrans-60.1-45.9177.2171.70000110.6I177 L179 L221 E222 A229 L235I177-V225 HydrophobicContact CG2-CB 4.4Å; I177-V225 HydrophobicContact CG2-CG1 3.92Å; I177-V225 HydrophobicContact CG2-CG2 3.52Å; L179-V225 HydrophobicContact CD2-CG1 3.96Å; L221-V225 HydrophobicContact CG-CG2 4.38Å; L221-V225 WeakPolarHBondContact O-CB 3.36Å; L221-V225 VanDerWaalsContact O-CG2 3.28Å; L221-V225 WeakPolarHBondContact O-CG2 3.26Å; L221-V225 PolarHBondContact O-N 2.79Å; E222-V225 PolarHBondContact O-N 3.38Å; V225-A229 WeakPolarHBondContact O-CB 3.5Å; V225-A229 PolarHBondContact O-N 2.9Å; V225-L235 HydrophobicContact CG2-CD1 4.48Å
226S75.2Confident70.8Confident66 Ų6679.3 Ų79.346%0.46240%0.404SS..Hα-helixtrans-65.1-43.6179.1-171.90000112.7E222 L224 K230 G231E222-S226 VanDerWaalsContact O-CB 3.22Å; E222-S226 WeakPolarHBondContact O-CB 3.27Å; E222-S226 PolarHBondContact O-N 3.29Å; L224-S226 PolarHBondContact O-N 3.33Å; S226-K230 PolarHBondContact O-N 3.08Å; S226-G231 PolarHBondContact O-N 2.91Å
227K75.1Confident71.3Confident168 Ų16879.7 Ų79.773%0.7339%0.391SS*.Hα-helixtrans-67.6-53.2178.5-87.9-175.4173.3178.90112.5Q223 L224 K230Q223-K227 VanDerWaalsContact O-CB 3.31Å; Q223-K227 WeakPolarHBondContact O-CB 3.37Å; Q223-K227 PolarHBondContact O-N 3.1Å; L224-K227 PolarHBondContact O-N 2.95Å; K227-K230 PolarHBondContact O-N 3.13Å
228D69.8Low71.5Confident40 Ų4080.9 Ų80.921%0.21440%0.398CS..Hα-helixtrans-72.8-33.7-173.9-77.8-32000111.6A183 A187 K190 L224 K230A183-D228 WeakPolarHBondContact CB-O 3.35Å; A187-D228 HydrophobicContact CB-CB 4.13Å; K190-D228 VanDerWaalsContact CD-OD2 3.31Å; K190-D228 WeakPolarHBondContact CD-OD2 3.46Å; K190-D228 WeakPolarHBondContact CE-OD2 3.09Å; K190-D228 IonicContact NZ-OD1 2.64Å; K190-D228 PolarHBondContact NZ-OD1 3.31Å; K190-D228 IonicContact NZ-OD2 2.69Å; K190-D228 PolarHBondContact NZ-OD2 3.1Å; L224-D228 WeakPolarHBondContact O-CB 3.48Å; L224-D228 PolarHBondContact O-N 3.03Å; D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 2.75Å
229A64.1Low71.4Confident6 Ų681.6 Ų81.65%0.0541%0.406CS..THydrogen-bonded Turntrans-84.47.4175.200000114.2L179 A183 V225 G231 K232L179-A229 HydrophobicContact CD2-CB 3.89Å; A183-A229 HydrophobicContact CB-CB 4.34Å; V225-A229 WeakPolarHBondContact O-CB 3.5Å; V225-A229 PolarHBondContact O-N 2.9Å; A229-G231 PolarHBondContact O-N 3.39Å; A229-G231 VanDerWaalsContact O-N 3.15Å; A229-K232 WeakPolarHBondContact O-CB 3.45Å; A229-K232 PolarHBondContact O-N 2.87Å
230K64.9Low70.9Confident194 Ų19478.9 Ų78.984%0.84341%0.405SS*.THydrogen-bonded Turntrans48.440.1-176.7-61.1-178.6179178.20112.9S226 K227 D228 K232S226-K230 PolarHBondContact O-N 3.08Å; K227-K230 PolarHBondContact O-N 3.13Å; D228-K230 VanDerWaalsContact C-N 3.26Å; D228-K230 PolarHBondContact O-N 2.75Å; K230-K232 VanDerWaalsContact C-N 3.32Å; K230-K232 PolarHBondContact O-N 2.79Å
231G65.6Low70Confident57 Ų5776.5 Ų76.559%0.58839%0.393SS*.THydrogen-bonded Turntrans77.14.8-178.400000116.2S226 A229S226-G231 PolarHBondContact O-N 2.91Å; A229-G231 PolarHBondContact O-N 3.39Å; A229-G231 VanDerWaalsContact O-N 3.15Å
232K66.9Low68.9Low161 Ų16179.8 Ų79.870%0.741%0.408SS*.  trans-97.3-2.9175.3-65.5-170.7176.8-1730114.4P180 A229 K230P180-K232 HydrophobicContact CG-CB 3.95Å; A229-K232 WeakPolarHBondContact O-CB 3.45Å; A229-K232 PolarHBondContact O-N 2.87Å; K230-K232 VanDerWaalsContact C-N 3.32Å; K230-K232 PolarHBondContact O-N 2.79Å
233G67.4Low67.5Low19 Ų1979.9 Ų79.920%0.19641%0.41CS..  trans-79.4132.8176.200000110.1F178F178-G233 CarbonylContact O-C 3.54Å; F178-G233 VanDerWaalsContact O-CA 3.31Å; F178-G233 WeakPolarHBondContact O-CA 3.43Å
234Q73.1Confident65.6Low124 Ų12477.4 Ų77.458%0.57941%0.405SS*.EExtended strand (participates in β ladder)trans-103.2132.1174.8-66.2-178.1-19.500109.3I177 F178I177-Q234 WeakPolarHBondContact CA-O 3.35Å; F178-Q234 HydrophobicContact CB-CB 4.26Å; F178-Q234 PolarHBondContact N-O 3.39Å; F178-Q234 PolarHBondContact O-N 2.8Å
235L77.2Confident63.7Low40 Ų4083 Ų8321%0.20943%0.434CS..EExtended strand (participates in β ladder)trans-114.5110.5173.6-172.285.6000107.2V175 I177 F218 L221 E222 V225V175-L235 HydrophobicContact CG1-CD1 3.71Å; V175-L235 HydrophobicContact CG1-CD2 4.34Å; V175-L235 HydrophobicContact CG1-CG 3.8Å; I177-L235 HydrophobicContact CB-CD1 4.4Å; I177-L235 HydrophobicContact CG1-CD1 4.04Å; I177-L235 HydrophobicContact CG2-CD1 3.98Å; F218-L235 HydrophobicContact CD2-CD2 4.19Å; F218-L235 HydrophobicContact CE1-CD2 4.09Å; F218-L235 HydrophobicContact CE2-CD2 3.44Å; F218-L235 VanDerWaalsContact CE2-CD2 3.44Å; F218-L235 HydrophobicContact CE2-CG 4.34Å; F218-L235 HydrophobicContact CZ-CD2 3.38Å; F218-L235 HydrophobicContact CZ-CG 4.49Å; L221-L235 HydrophobicContact CD2-CD1 3.6Å; L221-L235 HydrophobicContact CG-CD1 4.15Å; E222-L235 HydrophobicContact CB-CD2 4Å; E222-L235 HydrophobicContact CG-CD2 4.31Å; V225-L235 HydrophobicContact CG2-CD1 4.48Å
236E75Confident61.7Low106 Ų10688.2 Ų88.250%0.49546%0.462SS..EExtended strand (participates in β ladder)trans-105.9130.3176.2-83.3-166.3153.700110.7V175 R176 L238V175-E236 VanDerWaalsContact CG1-O 3.28Å; V175-E236 WeakPolarHBondContact CG1-O 3.49Å; R176-E236 HydrophobicContact CB-CB 4.21Å; R176-E236 PolarHBondContact N-O 2.79Å; R176-E236 PolarHBondContact O-N 3.08Å; R176-E236 VanDerWaalsContact O-O 3.08Å; E236-L238 PolarHBondContact O-N 3.06Å
237L72.6Confident59.8Low73 Ų7390.8 Ų90.838%0.38248%0.478SS..EExtended strand (participates in β ladder)trans-89.7104.5177.7-149.5156.5000108.1M173 F218 L240M173-L237 HydrophobicContact CE-CD1 3.29Å; M173-L237 HydrophobicContact CE-CD2 3.71Å; M173-L237 HydrophobicContact CE-CG 3.79Å; F218-L237 HydrophobicContact CD2-CD1 4.35Å; F218-L237 HydrophobicContact CE2-CD1 3.63Å; F218-L237 HydrophobicContact CE2-CG 4.19Å; F218-L237 HydrophobicContact CZ-CD1 3.86Å; L237-L240 HydrophobicContact CD2-CG 3.85Å
238L70.2Confident57.8Low76 Ų7690 Ų9040%0.39848%0.481SS..EExtended strand (participates in β ladder)trans-76.4-46.8-178-76.4168.3000111.2R174 R176 V210 E236R174-L238 PolarHBondContact O-N 2.97Å; R174-L238 VanDerWaalsContact O-N 3.08Å; R176-L238 HydrophobicContact CB-CD1 3.72Å; R176-L238 HydrophobicContact CB-CG 3.92Å; V210-L238 HydrophobicContact CB-CD1 4.45Å; V210-L238 HydrophobicContact CG1-CD1 3.56Å; V210-L238 HydrophobicContact CG2-CD1 4.02Å; E236-L238 PolarHBondContact O-N 3.06Å
239T64.2Low56.1Low63 Ų6399.3 Ų99.339%0.38753%0.53SS..EExtended strand (participates in β ladder)trans-151.5127.1-177-36.20000111.6R174 K241R174-T239 PolarHBondContact N-O 2.95Å; R174-T239 PolarHBondContact O-N 3.13Å; R174-T239 VanDerWaalsContact O-N 3.09Å; T239-K241 VanDerWaalsContact C-N 3.28Å; T239-K241 WeakPolarHBondContact CG2-O 3.16Å; T239-K241 PolarHBondContact O-N 2.99Å
240L57.6Low55.7Low124 Ų124104 Ų10465%0.64955%0.554SS**SBendtrans-69.8-23.4176.9-84.8141.4000113.1M173 L237M173-L240 HydrophobicContact CE-CD2 3.74Å; M173-L240 HydrophobicContact CE-CG 4.31Å; L237-L240 HydrophobicContact CD2-CG 3.85Å
241K53.3Low55.2Low43 Ų4399.3 Ų99.319%0.18754%0.539CS..SBendtrans-143.9117.5179.1-79.7176.9171.1172.40108.5A117 D118 P128 A171 T239 M243A117-K241 PolarHBondContact O-NZ 3.02Å; D118-K241 WeakPolarHBondContact O-CE 3.36Å; D118-K241 PolarHBondContact O-NZ 3.42Å; P128-K241 HydrophobicContact CB-CD 4.29Å; P128-K241 HydrophobicContact CG-CD 4.39Å; A171-K241 HydrophobicContact CB-CG 4.18Å; T239-K241 VanDerWaalsContact C-N 3.28Å; T239-K241 WeakPolarHBondContact CG2-O 3.16Å; T239-K241 PolarHBondContact O-N 2.99Å; K241-M243 VanDerWaalsContact C-N 3.28Å; K241-M243 PolarHBondContact O-N 3.06Å
242E50.8Low54.6Low69 Ų69101.6 Ų101.632%0.32254%0.536SS..  trans-70.191.4167.4-155.2-173.2-14700108.5L212L212-E242 WeakPolarHBondContact CD1-OE2 2.93Å; L212-E242 HydrophobicContact CD2-CB 4.13Å; L212-E242 HydrophobicContact CD2-CG 4.37Å
243M44.8Very low53.9Low98 Ų9898.1 Ų98.148%0.48353%0.526SS..  trans-82.8127.4161.3-68.5-178.5-178.800106.3P128 K241 D245P128-M243 HydrophobicContact CG-CE 3.8Å; K241-M243 VanDerWaalsContact C-N 3.28Å; K241-M243 PolarHBondContact O-N 3.06Å; M243-D245 PolarHBondContact O-N 2.98Å
244S38.5Very low53Low56 Ų56103.1 Ų103.139%0.39255%0.547SS..  trans-65.5102.9165.744.20000108.1D246S244-D246 PolarHBondContact O-N 2.95Å
245D36.3Very low51.7Low155 Ų155101.7 Ų101.783%0.82955%0.545SS*.  trans-69.474.3156.1-75.8-40.5000107.4M243 P247M243-D245 PolarHBondContact O-N 2.98Å; D245-P247 VanDerWaalsContact O-CD 3.3Å; D245-P247 WeakPolarHBondContact O-CD 3.3Å
246D34.2Very low49.9Very low114 Ų114106.1 Ų106.161%0.6157%0.569SS**  trans-81.2112162-105.7-66.5000106.9S244 N248S244-D246 PolarHBondContact O-N 2.95Å; D246-N248 PolarHBondContact O-N 3.14Å; D246-N248 VanDerWaalsContact O-N 3.14Å
247P33.7Very low47.9Very low121 Ų121106.1 Ų106.179%0.78657%0.574SS**THydrogen-bonded Turntrans-75.36178.7-4.421.7000113D245D245-P247 VanDerWaalsContact O-CD 3.3Å; D245-P247 WeakPolarHBondContact O-CD 3.3Å
248N34.3Very low45.9Very low150 Ų150108.8 Ų108.880%0.80259%0.59SS**THydrogen-bonded Turntrans-121.828.7-168-80-17.4000114.6D246D246-N248 PolarHBondContact O-N 3.14Å; D246-N248 VanDerWaalsContact O-N 3.14Å
249L32.6Very low43.7Very low237 Ų237111.8 Ų111.8100%1.24161%0.608SS**  trans-122.90166.5-126.4112.6000112.8

Retrieved 249 of 249 residues in 141.6 ms (Link to these results)

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