A0A087Y0M7_POEFO Loading...

Ddb1 and cul4 associated factor 17

AlphaFold DB , UniProt , Accession A0A087Y0M7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 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
1M35.2Very low46.5Very low244 Ų244130.5 Ų130.5100%1.20273%0.729SS**  0103.20-70.6-169.4-8700105.8
2S31Very low50.1Low111 Ų111125 Ų12578%0.77670%0.701SS**  -148.3117.772.7500000111.7Q4S2-Q4 PolarHBondContact O-N 3.23Å
3R28.6Very low53.3Low249 Ų249120.8 Ų120.894%0.9467%0.674SS**  trans-69114158.2-84.6177.7166.8-179.4-4.6106.6A5R3-A5 PolarHBondContact O-N 3.33Å
4Q34.6Very low56.1Low186 Ų186119.5 Ų119.587%0.86966%0.659SS**  trans-61.6120.1164.9-90.8176.5-28.600108S2S2-Q4 PolarHBondContact O-N 3.23Å
5A32.7Very low58.6Low96 Ų96113.7 Ų113.779%0.79363%0.626SS**  trans-66.2129.1-179.500000110.6R3 I7R3-A5 PolarHBondContact O-N 3.33Å; A5-I7 PolarHBondContact O-N 3.3Å
6G35.1Very low60.8Low77 Ų77110.1 Ų110.179%0.79462%0.616SS**  trans1884.6158.800000118.7S8G6-S8 VanDerWaalsContact C-N 3.29Å; G6-S8 PolarHBondContact O-N 3.26Å; G6-S8 VanDerWaalsContact O-N 3.08Å
7I39.8Very low62.7Low153 Ų153104.5 Ų104.579%0.78558%0.584SS**  trans-7396.8149.5-57.9173.4000105.3A5 Q9A5-I7 PolarHBondContact O-N 3.3Å; I7-Q9 VanDerWaalsContact C-N 3.29Å; I7-Q9 PolarHBondContact O-N 2.94Å
8S45Very low64.4Low94 Ų94103.7 Ų103.766%0.65757%0.574SS**  trans-57.398.6164.61540000107G6 N10G6-S8 VanDerWaalsContact C-N 3.29Å; G6-S8 PolarHBondContact O-N 3.26Å; G6-S8 VanDerWaalsContact O-N 3.08Å; S8-N10 PolarHBondContact O-N 2.82Å
9Q60.5Low65.7Low157 Ų157106.2 Ų106.273%0.73457%0.573SS**  trans-59.795.3168.1-81.7-178.7-24.300107.8I7 K33I7-Q9 VanDerWaalsContact C-N 3.29Å; I7-Q9 PolarHBondContact O-N 2.94Å; Q9-K33 PolarHBondContact O-NZ 3.44Å
10N82.1Confident66.7Low34 Ų34107 Ų10718%0.18258%0.582CS.*  trans-84.6-32.1-178-167.144.5000110.5S8 N32 K33 K34S8-N10 PolarHBondContact O-N 2.82Å; N10-N32 CarbonylContact O-C 3.6Å; N10-N32 VanDerWaalsContact O-CA 3.27Å; N10-N32 WeakPolarHBondContact O-CA 3.35Å; N10-N32 WeakPolarHBondContact O-CB 3.39Å; N10-K33 PolarHBondContact O-N 2.98Å; N10-K34 WeakPolarHBondContact ND2-CD 3.38Å; N10-K34 WeakPolarHBondContact ND2-CG 3.23Å
11A86.8Confident67.5Low35 Ų35111.2 Ų111.229%0.28960%0.595SS.*EExtended strand (participates in β ladder)trans-67.3135.7171.800000110.7E30A11-E30 HydrophobicContact CB-CG 3.78Å
12V89.9Confident70Confident64 Ų64103.7 Ų103.739%0.38857%0.565SS.*EExtended strand (participates in β ladder)trans-104.3-45.1175.4-178.60000109.6I31 K33 V40V12-I31 PolarHBondContact N-O 3.49Å; V12-K33 HydrophobicContact CG2-CG 3.79Å; V12-V40 HydrophobicContact CG1-CB 4.28Å; V12-V40 HydrophobicContact CG1-CG1 4.26Å
13M91.3Very high72.7Confident71 Ų71105.1 Ų105.135%0.3556%0.563SS.*EExtended strand (participates in β ladder)trans-150.6154.5-176.7179-175-76.400109.7M15 I31 V43M13-M15 HydrophobicContact CG-CG 4.33Å; M13-M15 HydrophobicContact SD-CG 3.99Å; M13-M15 HydrophobicContact SD-SD 4.46Å; M13-I31 HydrophobicContact CB-CB 4.22Å; M13-I31 HydrophobicContact CB-CG1 4.43Å; M13-I31 PolarHBondContact N-O 3.4Å; M13-I31 PolarHBondContact O-N 2.88Å; M13-V43 HydrophobicContact SD-CB 4.18Å
14H93.1Very high75.7Confident102 Ų10297.8 Ų97.847%0.47254%0.539SS..EExtended strand (participates in β ladder)trans-116.2137.2166.1-61.788.2000109.3I28 L29 E30H14-I28 HydrophobicContact CB-CG2 4.1Å; H14-L29 CarbonylContact C-O 3.57Å; H14-L29 WeakPolarHBondContact CA-O 3.14Å; H14-E30 IonicContact NE2-OE2 3.93Å
15M93.9Very high78.5Confident32 Ų3289.3 Ų89.316%0.15850%0.5CS..EExtended strand (participates in β ladder)trans-119.7124.4177.1-63.4-178.776.500109.5M13 I28 L29 I31 V43 L45 L50M13-M15 HydrophobicContact CG-CG 4.33Å; M13-M15 HydrophobicContact SD-CG 3.99Å; M13-M15 HydrophobicContact SD-SD 4.46Å; M15-I28 CarbonylContact O-C 3.46Å; M15-I28 WeakPolarHBondContact O-CA 3.44Å; M15-L29 HydrophobicContact CB-CB 4.49Å; M15-L29 PolarHBondContact N-O 2.93Å; M15-L29 PolarHBondContact O-N 2.81Å; M15-I31 HydrophobicContact CG-CG1 4.5Å; M15-I31 HydrophobicContact SD-CD1 4.42Å; M15-I31 HydrophobicContact SD-CG1 4.32Å; M15-V43 HydrophobicContact CE-CG1 4.35Å; M15-V43 HydrophobicContact SD-CB 4.16Å; M15-V43 HydrophobicContact SD-CG1 3.55Å; M15-V43 VanDerWaalsContact SD-CG1 3.55Å; M15-L45 HydrophobicContact CE-CB 3.92Å; M15-L50 HydrophobicContact CE-CD1 4.42Å; M15-L50 HydrophobicContact SD-CD1 3.97Å
16A93.5Very high81.3Confident57 Ų5786.8 Ų86.847%0.47148%0.475SS..EExtended strand (participates in β ladder)trans-86.1125.217100000109.4F18 I28A16-F18 HydrophobicContact CB-CD2 4.43Å; A16-F18 HydrophobicContact CB-CE2 3.55Å; A16-F18 HydrophobicContact CB-CZ 4.1Å; A16-I28 HydrophobicContact CB-CD1 3.42Å; A16-I28 VanDerWaalsContact CB-CD1 3.42Å
17I93.7Very high84.1Confident14 Ų1483.1 Ų83.17%0.07244%0.437CS..EExtended strand (participates in β ladder)trans-115124.6-175.4-53.4179.1000108.7V26 G27 L29 L45 L64I17-V26 HydrophobicContact CB-CB 4.15Å; I17-V26 HydrophobicContact CG2-CB 3.91Å; I17-V26 HydrophobicContact CG2-CG1 4.35Å; I17-V26 HydrophobicContact CG2-CG2 4.11Å; I17-V26 WeakPolarHBondContact O-CB 3.08Å; I17-V26 PolarHBondContact O-N 2.85Å; I17-G27 PolarHBondContact N-O 2.96Å; I17-G27 PolarHBondContact O-N 3.08Å; I17-L29 HydrophobicContact CD1-CB 4.02Å; I17-L29 HydrophobicContact CD1-CD2 4.23Å; I17-L45 HydrophobicContact CD1-CD2 4.48Å; I17-L45 HydrophobicContact CG1-CD2 4.49Å; I17-L45 HydrophobicContact CG2-CD2 4.41Å; I17-L64 HydrophobicContact CD1-CD1 3.64Å; I17-L64 HydrophobicContact CD1-CD2 4.14Å; I17-L64 HydrophobicContact CG2-CD2 4.26Å
18F92.3Very high86.7Confident91 Ų9176.8 Ų76.840%0.39940%0.404SS..EExtended strand (participates in β ladder)trans-124.4141.5178.9-57.9-90.6000110.3A16 L23 Q24 I25 I97A16-F18 HydrophobicContact CB-CD2 4.43Å; A16-F18 HydrophobicContact CB-CE2 3.55Å; A16-F18 HydrophobicContact CB-CZ 4.1Å; F18-L23 HydrophobicContact CB-CD1 4.15Å; F18-Q24 CarbonylContact C-O 3.6Å; F18-Q24 VanDerWaalsContact CA-O 3.29Å; F18-Q24 WeakPolarHBondContact CA-O 3.37Å; F18-I25 HydrophobicContact CD1-CB 4.08Å; F18-I25 HydrophobicContact CE1-CB 4.04Å; F18-I25 HydrophobicContact CE1-CD1 4.41Å; F18-I25 HydrophobicContact CE1-CG1 4.35Å; F18-I97 HydrophobicContact CZ-CD1 4.45Å
19R89.9Confident89.1Confident150 Ų15072.3 Ų72.357%0.56637%0.373SS*.EExtended strand (participates in β ladder)trans-77.9132.3157.8-175.8-178.6-64.4-102.7-0.4107L23 Q24R19-L23 CarbonylContact O-C 3.58Å; R19-L23 VanDerWaalsContact O-CA 3.23Å; R19-L23 WeakPolarHBondContact O-CA 3.38Å; R19-Q24 HydrophobicContact CB-CB 4.39Å; R19-Q24 PolarHBondContact N-O 3.31Å; R19-Q24 PolarHBondContact O-N 3.08Å
20V85.3Confident90.8Very high123 Ų12366.9 Ų66.975%0.74535%0.347SS*.THydrogen-bonded Turntrans-79.1-37.9-173.6179.60000112.3P22 L23V20-P22 CarbonylContact O-C 3.56Å; V20-L23 WeakPolarHBondContact O-CA 3.28Å; V20-L23 PolarHBondContact O-N 3.46Å; V20-L23 VanDerWaalsContact O-N 3.15Å
21F83.2Confident91.4Very high195 Ų19565.2 Ų65.286%0.85534%0.339SS*.THydrogen-bonded Turntrans-137115.7-178.5-160.5-99.7000112.6
22P87.4Confident91.6Very high87 Ų8763.8 Ų63.857%0.56533%0.326SS*.THydrogen-bonded Turncis-60.4152.1-15.229.8-35.1000110.7V20 Q24V20-P22 CarbonylContact O-C 3.56Å; P22-Q24 PolarHBondContact O-N 3.17Å
23L88.9Confident91.7Very high140 Ų14064.7 Ų64.773%0.73333%0.325SS*.THydrogen-bonded Turntrans-62.6108.1177.1-176.966.5000109.2F18 R19 V20F18-L23 HydrophobicContact CB-CD1 4.15Å; R19-L23 CarbonylContact O-C 3.58Å; R19-L23 VanDerWaalsContact O-CA 3.23Å; R19-L23 WeakPolarHBondContact O-CA 3.38Å; V20-L23 WeakPolarHBondContact O-CA 3.28Å; V20-L23 PolarHBondContact O-N 3.46Å; V20-L23 VanDerWaalsContact O-N 3.15Å
24Q91.3Very high91.6Very high96 Ų9668.2 Ų68.245%0.44934%0.338SS..EExtended strand (participates in β ladder)trans-140.7136-176-172.6-178.36.600109.9F18 R19 P22 V26F18-Q24 CarbonylContact C-O 3.6Å; F18-Q24 VanDerWaalsContact CA-O 3.29Å; F18-Q24 WeakPolarHBondContact CA-O 3.37Å; R19-Q24 HydrophobicContact CB-CB 4.39Å; R19-Q24 PolarHBondContact N-O 3.31Å; R19-Q24 PolarHBondContact O-N 3.08Å; P22-Q24 PolarHBondContact O-N 3.17Å; Q24-V26 PolarHBondContact O-N 3.15Å
25I92.4Very high91.4Very high8 Ų863.5 Ų63.54%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-68.8130.4171.8179.6158.6000110.7F18 G27 I28 L76 L78 I97F18-I25 HydrophobicContact CD1-CB 4.08Å; F18-I25 HydrophobicContact CE1-CB 4.04Å; F18-I25 HydrophobicContact CE1-CD1 4.41Å; F18-I25 HydrophobicContact CE1-CG1 4.35Å; I25-G27 VanDerWaalsContact CG1-N 3.34Å; I25-I28 HydrophobicContact CD1-CD1 4.45Å; I25-L76 HydrophobicContact CD1-CD1 4.42Å; I25-L76 HydrophobicContact CG2-CB 4.24Å; I25-L78 HydrophobicContact CG2-CD2 4.37Å; I25-L78 HydrophobicContact CG2-CG 4.08Å; I25-I97 HydrophobicContact CD1-CB 4.3Å; I25-I97 HydrophobicContact CD1-CD1 3.67Å; I25-I97 HydrophobicContact CD1-CG1 4.37Å; I25-I97 HydrophobicContact CD1-CG2 3.16Å
26V92.7Very high91.3Very high43 Ų4362.3 Ų62.326%0.26131%0.311SS..EExtended strand (participates in β ladder)trans-87-47.1165.6179.70000109.1I17 Q24 V68 N100I17-V26 HydrophobicContact CB-CB 4.15Å; I17-V26 HydrophobicContact CG2-CB 3.91Å; I17-V26 HydrophobicContact CG2-CG1 4.35Å; I17-V26 HydrophobicContact CG2-CG2 4.11Å; I17-V26 WeakPolarHBondContact O-CB 3.08Å; I17-V26 PolarHBondContact O-N 2.85Å; Q24-V26 PolarHBondContact O-N 3.15Å; V26-V68 HydrophobicContact CG1-CG1 4.2Å; V26-V68 HydrophobicContact CG1-CG2 4.19Å; V26-N100 PolarHBondContact O-ND2 2.83Å
27G93.4Very high91.1Very high0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans164.6177.6176.100000113.8I17 I25 N100I17-G27 PolarHBondContact N-O 2.96Å; I17-G27 PolarHBondContact O-N 3.08Å; I25-G27 VanDerWaalsContact CG1-N 3.34Å; G27-N100 WeakPolarHBondContact CA-OD1 3.32Å
28I95.3Very high90.8Very high20 Ų2071 Ų7110%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-102.7116.2167.1-51.3-60000107.9H14 M15 A16 I25 I97 P98 V99 N100 I101H14-I28 HydrophobicContact CB-CG2 4.1Å; M15-I28 CarbonylContact O-C 3.46Å; M15-I28 WeakPolarHBondContact O-CA 3.44Å; A16-I28 HydrophobicContact CB-CD1 3.42Å; A16-I28 VanDerWaalsContact CB-CD1 3.42Å; I25-I28 HydrophobicContact CD1-CD1 4.45Å; I28-I97 HydrophobicContact CD1-CB 4.21Å; I28-I97 HydrophobicContact CD1-CG2 3.88Å; I28-I97 HydrophobicContact CG1-CB 4.04Å; I28-I97 HydrophobicContact CG1-CG2 3.5Å; I28-I97 VanDerWaalsContact CG1-CG2 3.5Å; I28-P98 WeakPolarHBondContact CG1-O 3.48Å; I28-V99 HydrophobicContact CB-CG2 4.48Å; I28-V99 HydrophobicContact CG2-CG2 3.96Å; I28-N100 PolarHBondContact N-OD1 3.45Å; I28-N100 PolarHBondContact O-N 3.42Å; I28-I101 PolarHBondContact O-N 3.17Å
29L95.4Very high90.6Very high0 Ų068.1 Ų68.10%034%0.335CS..EExtended strand (participates in β ladder)trans-90.9124.2177.3172.264000110.8H14 M15 I17 I31 L50 L64 I67 I101 I103H14-L29 CarbonylContact C-O 3.57Å; H14-L29 WeakPolarHBondContact CA-O 3.14Å; M15-L29 HydrophobicContact CB-CB 4.49Å; M15-L29 PolarHBondContact N-O 2.93Å; M15-L29 PolarHBondContact O-N 2.81Å; I17-L29 HydrophobicContact CD1-CB 4.02Å; I17-L29 HydrophobicContact CD1-CD2 4.23Å; L29-I31 HydrophobicContact CD2-CD1 3.81Å; L29-I31 HydrophobicContact CG-CD1 4Å; L29-L50 HydrophobicContact CD2-CD1 4.46Å; L29-L50 HydrophobicContact CD2-CD2 4.15Å; L29-L64 HydrophobicContact CD2-CD1 4.45Å; L29-I67 HydrophobicContact CD1-CG2 4.02Å; L29-I101 HydrophobicContact CB-CB 4.34Å; L29-I101 HydrophobicContact CB-CD1 4.39Å; L29-I101 HydrophobicContact CD1-CB 4.05Å; L29-I101 HydrophobicContact CD1-CG2 3.53Å; L29-I103 HydrophobicContact CD1-CD1 3.74Å; L29-I103 HydrophobicContact CD1-CG1 4.16Å
30E94.6Very high90.7Very high42 Ų4261.9 Ų61.920%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-87.8116.4169.3-175.1-170.1103.400110.7A11 H14 N32 V99 I101A11-E30 HydrophobicContact CB-CG 3.78Å; H14-E30 IonicContact NE2-OE2 3.93Å; E30-N32 HydrophobicContact CG-CB 4.25Å; E30-N32 VanDerWaalsContact OE1-CB 3.27Å; E30-N32 WeakPolarHBondContact OE1-CB 3.49Å; E30-N32 PolarHBondContact OE1-ND2 2.84Å; E30-N32 VanDerWaalsContact OE1-ND2 3.08Å; E30-V99 HydrophobicContact CB-CG1 3.88Å; E30-I101 PolarHBondContact N-O 3.46Å
31I94.4Very high90.9Very high0 Ų060.2 Ų60.20%030%0.304CS..EExtended strand (participates in β ladder)trans-84.2113.5167.2-55.1-58.9000107.9V12 M13 M15 L29 F36 V40 V43 L50V12-I31 PolarHBondContact N-O 3.49Å; M13-I31 HydrophobicContact CB-CB 4.22Å; M13-I31 HydrophobicContact CB-CG1 4.43Å; M13-I31 PolarHBondContact N-O 3.4Å; M13-I31 PolarHBondContact O-N 2.88Å; M15-I31 HydrophobicContact CG-CG1 4.5Å; M15-I31 HydrophobicContact SD-CD1 4.42Å; M15-I31 HydrophobicContact SD-CG1 4.32Å; L29-I31 HydrophobicContact CD2-CD1 3.81Å; L29-I31 HydrophobicContact CG-CD1 4Å; I31-F36 HydrophobicContact CB-CD2 4.47Å; I31-F36 HydrophobicContact CB-CE2 4.44Å; I31-F36 HydrophobicContact CD1-CD2 4.34Å; I31-F36 HydrophobicContact CD1-CE2 3.6Å; I31-F36 HydrophobicContact CD1-CZ 4.01Å; I31-F36 HydrophobicContact CG2-CD2 3.72Å; I31-F36 HydrophobicContact CG2-CE2 4.08Å; I31-F36 HydrophobicContact CG2-CG 4.45Å; I31-V40 HydrophobicContact CG2-CG1 4.21Å; I31-V43 HydrophobicContact CD1-CG1 4.28Å; I31-V43 HydrophobicContact CG1-CG1 4.44Å; I31-V43 HydrophobicContact CG1-CG2 4.2Å; I31-V43 HydrophobicContact CG2-CG2 3.99Å; I31-L50 HydrophobicContact CD1-CD2 3.97Å
32N92.5Very high91.2Very high5 Ų554.6 Ų54.63%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-127.5161.4-176.972.650.3000114.1N10 E30 K34 G35 F36 I103N10-N32 CarbonylContact O-C 3.6Å; N10-N32 VanDerWaalsContact O-CA 3.27Å; N10-N32 WeakPolarHBondContact O-CA 3.35Å; N10-N32 WeakPolarHBondContact O-CB 3.39Å; E30-N32 HydrophobicContact CG-CB 4.25Å; E30-N32 VanDerWaalsContact OE1-CB 3.27Å; E30-N32 WeakPolarHBondContact OE1-CB 3.49Å; E30-N32 PolarHBondContact OE1-ND2 2.84Å; E30-N32 VanDerWaalsContact OE1-ND2 3.08Å; N32-K34 PolarHBondContact O-N 3.24Å; N32-K34 WeakPolarHBondContact OD1-CA 3.47Å; N32-K34 WeakPolarHBondContact OD1-CB 3.46Å; N32-K34 PolarHBondContact OD1-N 3.39Å; N32-G35 PolarHBondContact O-N 2.6Å; N32-G35 PolarHBondContact OD1-N 3.21Å; N32-F36 PolarHBondContact O-N 2.77Å; N32-F36 VanDerWaalsContact O-N 3.08Å; N32-I103 PolarHBondContact ND2-O 2.86Å
33K91Very high91.4Very high83 Ų8351 Ų5136%0.36126%0.259SS..THydrogen-bonded Turntrans-70.4-16.2-177.4-61166.9-175.4160.20113.6Q9 N10 V12 G37Q9-K33 PolarHBondContact O-NZ 3.44Å; N10-K33 PolarHBondContact O-N 2.98Å; V12-K33 HydrophobicContact CG2-CG 3.79Å; K33-G37 WeakPolarHBondContact CA-O 3.27Å; K33-G37 CarbonylContact O-C 3.58Å; K33-G37 WeakPolarHBondContact O-CA 3.47Å; K33-G37 PolarHBondContact O-N 3.18Å; K33-G37 VanDerWaalsContact O-N 3.12Å
34K88.9Confident91.3Very high145 Ų14547.9 Ų47.963%0.6325%0.246SC*.THydrogen-bonded Turntrans-78.2-46.7177.1-75.6179.7-177-177.80110.9N10 N32N10-K34 WeakPolarHBondContact ND2-CD 3.38Å; N10-K34 WeakPolarHBondContact ND2-CG 3.23Å; N32-K34 PolarHBondContact O-N 3.24Å; N32-K34 WeakPolarHBondContact OD1-CA 3.47Å; N32-K34 WeakPolarHBondContact OD1-CB 3.46Å; N32-K34 PolarHBondContact OD1-N 3.39Å
35G89.3Confident91.1Very high3 Ų346.2 Ų46.23%0.03124%0.24CC..THydrogen-bonded Turntrans-73.4-46.9179.100000113N32 P106N32-G35 PolarHBondContact O-N 2.6Å; N32-G35 PolarHBondContact OD1-N 3.21Å; G35-P106 VanDerWaalsContact O-CA 3.26Å; G35-P106 WeakPolarHBondContact O-CA 3.49Å; G35-P106 WeakPolarHBondContact O-CB 3.43Å
36F92.2Very high90.6Very high7 Ų747.9 Ų47.93%0.03125%0.252CS..SBendtrans-103.6-7-172.1-60.3-74.3000113.8I31 N32 V40 L50 V52 H54 Y62 I67 I103 P107I31-F36 HydrophobicContact CB-CD2 4.47Å; I31-F36 HydrophobicContact CB-CE2 4.44Å; I31-F36 HydrophobicContact CD1-CD2 4.34Å; I31-F36 HydrophobicContact CD1-CE2 3.6Å; I31-F36 HydrophobicContact CD1-CZ 4.01Å; I31-F36 HydrophobicContact CG2-CD2 3.72Å; I31-F36 HydrophobicContact CG2-CE2 4.08Å; I31-F36 HydrophobicContact CG2-CG 4.45Å; N32-F36 PolarHBondContact O-N 2.77Å; N32-F36 VanDerWaalsContact O-N 3.08Å; F36-V40 HydrophobicContact CB-CG2 3.76Å; F36-L50 HydrophobicContact CE1-CD2 4.02Å; F36-L50 HydrophobicContact CZ-CD2 3.7Å; F36-V52 HydrophobicContact CB-CG1 4.38Å; F36-V52 HydrophobicContact CD1-CG1 4.48Å; F36-V52 HydrophobicContact CD1-CG2 3.87Å; F36-V52 HydrophobicContact CE1-CG2 3.97Å; F36-H54 PolarHBondContact O-CE1 2.88Å; F36-Y62 HydrophobicContact CD1-CD2 4.06Å; F36-Y62 AromaticContact CD1-CE2 3.58Å; F36-Y62 HydrophobicContact CD1-CE2 3.58Å; F36-Y62 AromaticContact CD1-CZ 3.83Å; F36-Y62 AromaticContact CE1-CD2 3.7Å; F36-Y62 HydrophobicContact CE1-CD2 3.7Å; F36-Y62 AromaticContact CE1-CE2 3.73Å; F36-Y62 HydrophobicContact CE1-CE2 3.73Å; F36-Y62 HydrophobicContact CE1-CG 4.09Å; F36-I67 HydrophobicContact CZ-CD1 4.39Å; F36-I103 HydrophobicContact CD2-CD1 4.49Å; F36-I103 HydrophobicContact CE1-CD1 4.45Å; F36-I103 HydrophobicContact CE2-CD1 3.32Å; F36-I103 HydrophobicContact CZ-CD1 3.3Å; F36-P107 HydrophobicContact CD1-CG 4.46Å; F36-P107 HydrophobicContact CE1-CG 3.76Å; F36-P107 HydrophobicContact CZ-CG 4.18Å
37G89.7Confident90Very high28 Ų2851.8 Ų51.829%0.28927%0.267SS..  trans86177.5-177.500000113.6K33K33-G37 WeakPolarHBondContact CA-O 3.27Å; K33-G37 CarbonylContact O-C 3.58Å; K33-G37 WeakPolarHBondContact O-CA 3.47Å; K33-G37 PolarHBondContact O-N 3.18Å; K33-G37 VanDerWaalsContact O-N 3.12Å
38R86.4Confident89.7Confident226 Ų22653.6 Ų53.685%0.85329%0.286SS*.THydrogen-bonded Turntrans-82.2141.5179.6-61.5-177-178-151.80.6109.7
39G89.3Confident89.4Confident30 Ų3053.8 Ų53.831%0.30929%0.288SS..THydrogen-bonded Turntrans93.121.3175.700000115T41 H54 S55G39-T41 PolarHBondContact O-N 2.82Å; G39-H54 CarbonylContact O-C 3.58Å; G39-H54 WeakPolarHBondContact O-CA 3.27Å; G39-S55 PolarHBondContact O-N 3.32Å
40V91.4Very high89.2Confident18 Ų1853.8 Ų53.811%0.10929%0.288CS..EExtended strand (participates in β ladder)trans-60.2128.8163177.50000108.7V12 I31 F36 V43 V52 S53V12-V40 HydrophobicContact CG1-CB 4.28Å; V12-V40 HydrophobicContact CG1-CG1 4.26Å; I31-V40 HydrophobicContact CG2-CG1 4.21Å; F36-V40 HydrophobicContact CB-CG2 3.76Å; V40-V43 HydrophobicContact CG1-CG2 3.84Å; V40-V52 HydrophobicContact CB-CG1 4.37Å; V40-V52 HydrophobicContact CG1-CG1 3.82Å; V40-V52 HydrophobicContact CG2-CG1 3.8Å; V40-S53 WeakPolarHBondContact CA-O 3.43Å
41T90.1Very high89Confident88 Ų8852.3 Ų52.354%0.5428%0.283SS..EExtended strand (participates in β ladder)trans-113.7-32.9179.5540000112.7G39 S53G39-T41 PolarHBondContact O-N 2.82Å; T41-S53 PolarHBondContact N-O 2.94Å; T41-S53 PolarHBondContact OG1-O 3.01Å
42D89.6Confident88.8Confident77 Ų7752.3 Ų52.341%0.41228%0.283SS..EExtended strand (participates in β ladder)trans-155.7154.1-177.5-173.732.7000110.7S53D42-S53 PolarHBondContact O-N 2.82Å
43V89.7Confident88.7Confident11 Ų1153.1 Ų53.17%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-141.2125.2179.9-174.30000110.3M13 M15 I31 V40 L50 A51 V52M13-V43 HydrophobicContact SD-CB 4.18Å; M15-V43 HydrophobicContact CE-CG1 4.35Å; M15-V43 HydrophobicContact SD-CB 4.16Å; M15-V43 HydrophobicContact SD-CG1 3.55Å; M15-V43 VanDerWaalsContact SD-CG1 3.55Å; I31-V43 HydrophobicContact CD1-CG1 4.28Å; I31-V43 HydrophobicContact CG1-CG1 4.44Å; I31-V43 HydrophobicContact CG1-CG2 4.2Å; I31-V43 HydrophobicContact CG2-CG2 3.99Å; V40-V43 HydrophobicContact CG1-CG2 3.84Å; V43-L50 HydrophobicContact CG1-CD1 3.48Å; V43-L50 VanDerWaalsContact CG1-CD1 3.48Å; V43-L50 HydrophobicContact CG1-CD2 4.49Å; V43-L50 HydrophobicContact CG1-CG 3.92Å; V43-A51 WeakPolarHBondContact CA-O 3.42Å; V43-V52 HydrophobicContact CG1-CG2 4.27Å; V43-V52 HydrophobicContact CG2-CG1 4.29Å; V43-V52 HydrophobicContact CG2-CG2 4.37Å
44V88.4Confident88.7Confident75 Ų7549.8 Ų49.846%0.45528%0.275SS..EExtended strand (participates in β ladder)trans-121.7134.1177.9177.90000109.3A51V44-A51 PolarHBondContact N-O 3.35Å; V44-A51 PolarHBondContact O-N 3.04Å
45L87.3Confident88.7Confident61 Ų6146.9 Ų46.932%0.31927%0.273SS..EExtended strand (participates in β ladder)trans-104.8119.4171.6175.863.7000108.9M15 I17 L50 L64M15-L45 HydrophobicContact CE-CB 3.92Å; I17-L45 HydrophobicContact CD1-CD2 4.48Å; I17-L45 HydrophobicContact CG1-CD2 4.49Å; I17-L45 HydrophobicContact CG2-CD2 4.41Å; L45-L50 HydrophobicContact CB-CD1 4.37Å; L45-L50 HydrophobicContact CD1-CD1 4.47Å; L45-L64 HydrophobicContact CD1-CB 4.03Å; L45-L64 HydrophobicContact CD1-CD2 3.59Å; L45-L64 HydrophobicContact CD1-CG 4.28Å; L45-L64 HydrophobicContact CD2-CD2 3.72Å; L45-L64 HydrophobicContact CG-CD2 4.29Å
46S82Confident88.7Confident43 Ų4351.1 Ų51.130%0.30130%0.295SS..EExtended strand (participates in β ladder)trans-137.4125.7176.7-176.50000110.4G48 V49S46-G48 PolarHBondContact O-N 3.42Å; S46-G48 VanDerWaalsContact O-N 3.1Å; S46-V49 PolarHBondContact N-O 3.24Å; S46-V49 WeakPolarHBondContact O-CB 3.43Å; S46-V49 PolarHBondContact O-N 3.08Å
47Q79.6Confident88.3Confident125 Ų12555.2 Ų55.258%0.58431%0.313SS*.THydrogen-bonded Turntrans47.442.1175.2-49.8-175.150.300114.5V49 W126Q47-V49 VanDerWaalsContact C-N 3.29Å; Q47-V49 PolarHBondContact O-N 2.86Å; Q47-W126 HydrophobicContact CB-CH2 3.53Å; Q47-W126 HydrophobicContact CB-CZ3 4.04Å; Q47-W126 HydrophobicContact CG-CH2 4.11Å; Q47-W126 HydrophobicContact CG-CZ3 4.39Å
48G86.4Confident88.2Confident38 Ų3854 Ų5439%0.39230%0.299SS..THydrogen-bonded Turntrans80.72.7179.600000115.2S46 L64S46-G48 PolarHBondContact O-N 3.42Å; S46-G48 VanDerWaalsContact O-N 3.1Å; G48-L64 VanDerWaalsContact O-CB 3.22Å; G48-L64 WeakPolarHBondContact O-CB 2.98Å; G48-L64 PolarHBondContact O-N 2.76Å
49V88.3Confident88.4Confident25 Ų2543.4 Ų43.415%0.15226%0.26CS..EExtended strand (participates in β ladder)trans-105.3125.7173.7-177.50000109.8S46 Q47 L61 Y62 I121S46-V49 PolarHBondContact N-O 3.24Å; S46-V49 WeakPolarHBondContact O-CB 3.43Å; S46-V49 PolarHBondContact O-N 3.08Å; Q47-V49 VanDerWaalsContact C-N 3.29Å; Q47-V49 PolarHBondContact O-N 2.86Å; V49-L61 HydrophobicContact CG1-CB 3.89Å; V49-L61 HydrophobicContact CG1-CD1 4.39Å; V49-L61 HydrophobicContact CG1-CD2 4.42Å; V49-L61 HydrophobicContact CG1-CG 4.46Å; V49-Y62 WeakPolarHBondContact CA-O 3.4Å; V49-I121 HydrophobicContact CG1-CD1 4.1Å
50L91.5Very high88.4Confident0 Ų044.4 Ų44.40%026%0.256CS..EExtended strand (participates in β ladder)trans-91.5109.3173-169.875.5000109M15 L29 I31 F36 V43 L45 V52 L61 Y62 I67M15-L50 HydrophobicContact CE-CD1 4.42Å; M15-L50 HydrophobicContact SD-CD1 3.97Å; L29-L50 HydrophobicContact CD2-CD1 4.46Å; L29-L50 HydrophobicContact CD2-CD2 4.15Å; I31-L50 HydrophobicContact CD1-CD2 3.97Å; F36-L50 HydrophobicContact CE1-CD2 4.02Å; F36-L50 HydrophobicContact CZ-CD2 3.7Å; V43-L50 HydrophobicContact CG1-CD1 3.48Å; V43-L50 VanDerWaalsContact CG1-CD1 3.48Å; V43-L50 HydrophobicContact CG1-CD2 4.49Å; V43-L50 HydrophobicContact CG1-CG 3.92Å; L45-L50 HydrophobicContact CB-CD1 4.37Å; L45-L50 HydrophobicContact CD1-CD1 4.47Å; L50-V52 HydrophobicContact CD2-CG2 4.21Å; L50-V52 HydrophobicContact CG-CG2 4.2Å; L50-L61 WeakPolarHBondContact O-CA 3.43Å; L50-Y62 PolarHBondContact N-O 2.88Å; L50-Y62 PolarHBondContact O-N 2.9Å; L50-I67 HydrophobicContact CD2-CD1 3.9Å
51A90.1Very high88.4Confident11 Ų1143.7 Ų43.79%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-94.3118.1175.600000110V43 V44 V59 L61 I121V43-A51 WeakPolarHBondContact CA-O 3.42Å; V44-A51 PolarHBondContact N-O 3.35Å; V44-A51 PolarHBondContact O-N 3.04Å; A51-V59 HydrophobicContact CB-CG1 4.32Å; A51-L61 HydrophobicContact CB-CD2 3.55Å; A51-I121 HydrophobicContact CB-CD1 4.26Å
52V91.5Very high88.5Confident0 Ų040 Ų400%023%0.227CC..EExtended strand (participates in β ladder)trans-112.1115.3-177.9-176.90000109.2F36 V40 V43 L50 H54 V59 K60 Y62F36-V52 HydrophobicContact CB-CG1 4.38Å; F36-V52 HydrophobicContact CD1-CG1 4.48Å; F36-V52 HydrophobicContact CD1-CG2 3.87Å; F36-V52 HydrophobicContact CE1-CG2 3.97Å; V40-V52 HydrophobicContact CB-CG1 4.37Å; V40-V52 HydrophobicContact CG1-CG1 3.82Å; V40-V52 HydrophobicContact CG2-CG1 3.8Å; V43-V52 HydrophobicContact CG1-CG2 4.27Å; V43-V52 HydrophobicContact CG2-CG1 4.29Å; V43-V52 HydrophobicContact CG2-CG2 4.37Å; L50-V52 HydrophobicContact CD2-CG2 4.21Å; L50-V52 HydrophobicContact CG-CG2 4.2Å; V52-H54 PolarHBondContact O-CD2 2.79Å; V52-V59 WeakPolarHBondContact O-CA 3.45Å; V52-K60 PolarHBondContact N-O 3Å; V52-K60 PolarHBondContact O-N 3.44Å; V52-Y62 HydrophobicContact CB-CD2 4.49Å; V52-Y62 HydrophobicContact CB-CE2 4.05Å; V52-Y62 HydrophobicContact CG2-CD2 3.84Å; V52-Y62 HydrophobicContact CG2-CE2 3.79Å
53S90.6Very high88.6Confident22 Ų2237.7 Ų37.715%0.15422%0.218CC..EExtended strand (participates in β ladder)trans-89.8140.3178.7-64.20000111.1V40 T41 D42V40-S53 WeakPolarHBondContact CA-O 3.43Å; T41-S53 PolarHBondContact N-O 2.94Å; T41-S53 PolarHBondContact OG1-O 3.01Å; D42-S53 PolarHBondContact O-N 2.82Å
54H90.9Very high88.8Confident13 Ų1338.1 Ų38.16%0.0622%0.22CC..EExtended strand (participates in β ladder)trans-120.2153.9-178.1-69.5-88.9000113.4F36 G39 V52 N56 K57 S58F36-H54 PolarHBondContact O-CE1 2.88Å; G39-H54 CarbonylContact O-C 3.58Å; G39-H54 WeakPolarHBondContact O-CA 3.27Å; V52-H54 PolarHBondContact O-CD2 2.79Å; H54-N56 WeakPolarHBondContact CB-OD1 3.38Å; H54-N56 PolarHBondContact O-N 2.84Å; H54-N56 VanDerWaalsContact O-N 3.13Å; H54-K57 PolarHBondContact O-N 2.89Å; H54-S58 WeakPolarHBondContact CB-O 3.46Å; H54-S58 PolarHBondContact N-O 2.82Å
55S89.3Confident89Confident83 Ų8340.7 Ų40.758%0.5823%0.226SC*.THydrogen-bonded Turntrans-62.4-21.718062.40000114G39 K57G39-S55 PolarHBondContact O-N 3.32Å; S55-K57 PolarHBondContact O-N 2.84Å
56N88.1Confident89.3Confident93 Ų9340.8 Ų40.850%0.49723%0.225SC..THydrogen-bonded Turntrans-80.610173.570.2-16.3000113.1H54 S58H54-N56 WeakPolarHBondContact CB-OD1 3.38Å; H54-N56 PolarHBondContact O-N 2.84Å; H54-N56 VanDerWaalsContact O-N 3.13Å; N56-S58 PolarHBondContact ND2-OG 3.34Å; N56-S58 PolarHBondContact O-N 2.86Å; N56-S58 PolarHBondContact OD1-N 3.16Å; N56-S58 PolarHBondContact OD1-OG 3.2Å
57K84.6Confident89.9Confident93 Ų9338.8 Ų38.840%0.40421%0.211SC..SBendtrans68.315.4-177.3-51.1-57.4-168172.50114.3H54 S55 F114 S115H54-K57 PolarHBondContact O-N 2.89Å; S55-K57 PolarHBondContact O-N 2.84Å; K57-F114 CarbonylContact O-C 3.47Å; K57-F114 VanDerWaalsContact O-CA 3.26Å; K57-F114 WeakPolarHBondContact O-CA 3.42Å; K57-S115 WeakPolarHBondContact CB-O 3.41Å; K57-S115 PolarHBondContact O-N 3.13Å
58S88.3Confident90.6Very high1 Ų134.1 Ų34.11%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-91.2146.9168.483.50000111.6H54 N56 E112 A113H54-S58 WeakPolarHBondContact CB-O 3.46Å; H54-S58 PolarHBondContact N-O 2.82Å; N56-S58 PolarHBondContact ND2-OG 3.34Å; N56-S58 PolarHBondContact O-N 2.86Å; N56-S58 PolarHBondContact OD1-N 3.16Å; N56-S58 PolarHBondContact OD1-OG 3.2Å; S58-E112 WeakPolarHBondContact CB-OE1 2.92Å; S58-E112 PolarHBondContact OG-OE1 2.83Å; S58-A113 CarbonylContact C-O 3.53Å; S58-A113 WeakPolarHBondContact CA-O 3.47Å
59V88.9Confident91Very high4 Ų438.5 Ų38.52%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-123126.7173.2179.80000107.2A51 V52 L61 E112 A113 I119A51-V59 HydrophobicContact CB-CG1 4.32Å; V52-V59 WeakPolarHBondContact O-CA 3.45Å; V59-L61 HydrophobicContact CG1-CD2 4.1Å; V59-E112 WeakPolarHBondContact O-CA 3.06Å; V59-A113 PolarHBondContact N-O 3.17Å; V59-A113 PolarHBondContact O-N 3.01Å; V59-A113 VanDerWaalsContact O-N 3.08Å; V59-I119 HydrophobicContact CB-CB 4.45Å; V59-I119 HydrophobicContact CB-CD1 3.6Å; V59-I119 HydrophobicContact CB-CG1 3.83Å; V59-I119 HydrophobicContact CG1-CB 4.23Å; V59-I119 HydrophobicContact CG1-CD1 4.1Å; V59-I119 HydrophobicContact CG1-CG1 4.17Å; V59-I119 HydrophobicContact CG2-CD1 4.11Å; V59-I119 HydrophobicContact CG2-CG1 3.86Å
60K90.4Very high91.3Very high51 Ų5146.5 Ų46.522%0.22223%0.229CC..EExtended strand (participates in β ladder)trans-115.6132.6-175.1-68.5-174.4-177.6-177.60110.2V52 Y62 L109 F111 E112V52-K60 PolarHBondContact N-O 3Å; V52-K60 PolarHBondContact O-N 3.44Å; K60-Y62 HydrophobicContact CB-CE2 3.61Å; K60-Y62 WeakPolarHBondContact CD-OH 3.29Å; K60-L109 HydrophobicContact CB-CD1 3.58Å; K60-L109 HydrophobicContact CD-CD1 4.1Å; K60-L109 HydrophobicContact CG-CD1 3.86Å; K60-F111 WeakPolarHBondContact CA-O 3.39Å; K60-E112 WeakPolarHBondContact CE-OE1 2.95Å; K60-E112 HydrophobicContact CG-CB 4.39Å; K60-E112 HydrophobicContact CG-CG 4.2Å; K60-E112 IonicContact NZ-OE1 3.99Å
61L89.9Confident91.4Very high3 Ų347.5 Ų47.52%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-106.9134.8-176-50.7-170.8000110.8V49 L50 A51 V59 L110 F111 I121 L146V49-L61 HydrophobicContact CG1-CB 3.89Å; V49-L61 HydrophobicContact CG1-CD1 4.39Å; V49-L61 HydrophobicContact CG1-CD2 4.42Å; V49-L61 HydrophobicContact CG1-CG 4.46Å; L50-L61 WeakPolarHBondContact O-CA 3.43Å; A51-L61 HydrophobicContact CB-CD2 3.55Å; V59-L61 HydrophobicContact CG1-CD2 4.1Å; L61-L110 HydrophobicContact CB-CB 4.44Å; L61-L110 WeakPolarHBondContact O-CB 3.42Å; L61-L110 PolarHBondContact O-N 2.93Å; L61-F111 HydrophobicContact CB-CB 4.1Å; L61-F111 HydrophobicContact CD1-CB 3.91Å; L61-F111 HydrophobicContact CD1-CD1 3.68Å; L61-F111 HydrophobicContact CD1-CG 4.14Å; L61-F111 HydrophobicContact CG-CB 4.08Å; L61-F111 HydrophobicContact CG-CD1 4.02Å; L61-F111 PolarHBondContact N-O 3.12Å; L61-I121 HydrophobicContact CD1-CD1 3.44Å; L61-I121 VanDerWaalsContact CD1-CD1 3.44Å; L61-I121 HydrophobicContact CD1-CG1 3.99Å; L61-I121 HydrophobicContact CD2-CD1 3.5Å; L61-I121 HydrophobicContact CG-CD1 4.11Å; L61-L146 HydrophobicContact CD1-CD1 4.47Å; L61-L146 HydrophobicContact CD1-CD2 3.8Å
62Y92.3Very high91.6Very high10 Ų1049.6 Ų49.64%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-131.2148.2-179.6-54.7-85.7000110.7F36 V49 L50 V52 K60 L64 P107 P108 L109F36-Y62 HydrophobicContact CD1-CD2 4.06Å; F36-Y62 AromaticContact CD1-CE2 3.58Å; F36-Y62 HydrophobicContact CD1-CE2 3.58Å; F36-Y62 AromaticContact CD1-CZ 3.83Å; F36-Y62 AromaticContact CE1-CD2 3.7Å; F36-Y62 HydrophobicContact CE1-CD2 3.7Å; F36-Y62 AromaticContact CE1-CE2 3.73Å; F36-Y62 HydrophobicContact CE1-CE2 3.73Å; F36-Y62 HydrophobicContact CE1-CG 4.09Å; V49-Y62 WeakPolarHBondContact CA-O 3.4Å; L50-Y62 PolarHBondContact N-O 2.88Å; L50-Y62 PolarHBondContact O-N 2.9Å; V52-Y62 HydrophobicContact CB-CD2 4.49Å; V52-Y62 HydrophobicContact CB-CE2 4.05Å; V52-Y62 HydrophobicContact CG2-CD2 3.84Å; V52-Y62 HydrophobicContact CG2-CE2 3.79Å; K60-Y62 HydrophobicContact CB-CE2 3.61Å; K60-Y62 WeakPolarHBondContact CD-OH 3.29Å; Y62-L64 PolarHBondContact O-N 3.08Å; Y62-P107 HydrophobicContact CD1-CB 4.01Å; Y62-P107 HydrophobicContact CD1-CG 3.6Å; Y62-P107 HydrophobicContact CE1-CG 3.9Å; Y62-P107 WeakPolarHBondContact CE1-O 3.44Å; Y62-P107 HydrophobicContact CG-CG 4.16Å; Y62-P108 WeakPolarHBondContact CD1-O 3.46Å; Y62-L109 HydrophobicContact CE1-CB 4.45Å; Y62-L109 HydrophobicContact CE1-CD1 4.1Å
63S92.4Very high91.7Very high30 Ų3053.2 Ų53.221%0.2127%0.267CS..EExtended strand (participates in β ladder)trans-76.3118.4173.5169.70000109.5E65 H66 I67S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 PolarHBondContact OG-N 3Å; S63-H66 PolarHBondContact O-N 3.14Å; S63-H66 PolarHBondContact OG-N 2.95Å; S63-I67 WeakPolarHBondContact O-CG1 3.06Å; S63-I67 PolarHBondContact O-N 3.4Å; S63-I67 VanDerWaalsContact O-N 3.11Å
64L93.4Very high91.7Very high20 Ų2054.3 Ų54.311%0.10527%0.27CS..Hα-helixtrans-63.4-40.5172.7177.464.4000110.6I17 L29 L45 G48 Y62 H66 I67 V68I17-L64 HydrophobicContact CD1-CD1 3.64Å; I17-L64 HydrophobicContact CD1-CD2 4.14Å; I17-L64 HydrophobicContact CG2-CD2 4.26Å; L29-L64 HydrophobicContact CD2-CD1 4.45Å; L45-L64 HydrophobicContact CD1-CB 4.03Å; L45-L64 HydrophobicContact CD1-CD2 3.59Å; L45-L64 HydrophobicContact CD1-CG 4.28Å; L45-L64 HydrophobicContact CD2-CD2 3.72Å; L45-L64 HydrophobicContact CG-CD2 4.29Å; G48-L64 VanDerWaalsContact O-CB 3.22Å; G48-L64 WeakPolarHBondContact O-CB 2.98Å; G48-L64 PolarHBondContact O-N 2.76Å; Y62-L64 PolarHBondContact O-N 3.08Å; L64-H66 VanDerWaalsContact C-N 3.31Å; L64-H66 PolarHBondContact O-N 3.5Å; L64-I67 PolarHBondContact O-N 3.3Å; L64-V68 HydrophobicContact CD1-CG2 3.91Å; L64-V68 HydrophobicContact CG-CG2 4.1Å; L64-V68 WeakPolarHBondContact O-CG2 3.47Å; L64-V68 PolarHBondContact O-N 3.15Å
65E93.3Very high91.8Very high128 Ų12861.6 Ų61.660%0.59830%0.304SS*.Hα-helixtrans-56.3-47.5177.9-176.9-176.8177.100111.1S63 I67 V68 Q69S63-E65 VanDerWaalsContact C-N 3.29Å; S63-E65 PolarHBondContact OG-N 3Å; E65-I67 PolarHBondContact O-N 2.84Å; E65-V68 PolarHBondContact O-N 3.17Å; E65-Q69 HydrophobicContact CG-CG 4.47Å; E65-Q69 WeakPolarHBondContact O-CB 3.4Å; E65-Q69 VanDerWaalsContact O-CG 3.27Å; E65-Q69 WeakPolarHBondContact O-CG 3.43Å; E65-Q69 PolarHBondContact O-N 3.33Å; E65-Q69 PolarHBondContact OE1-NE2 3.15Å
66H93.9Very high92Very high64 Ų6458 Ų5830%0.29628%0.278SS..Hα-helixtrans-61.9-43.5177.2-174.187.9000112.1S63 L64 Q69 R70 P108S63-H66 PolarHBondContact O-N 3.14Å; S63-H66 PolarHBondContact OG-N 2.95Å; L64-H66 VanDerWaalsContact C-N 3.31Å; L64-H66 PolarHBondContact O-N 3.5Å; H66-Q69 PolarHBondContact O-N 3.1Å; H66-R70 WeakPolarHBondContact O-CB 3.43Å; H66-R70 WeakPolarHBondContact O-CG 3.33Å; H66-R70 PolarHBondContact O-N 2.9Å; H66-R70 VanDerWaalsContact O-N 3.1Å; H66-P108 VanDerWaalsContact CD2-CD 3.48Å; H66-P108 WeakPolarHBondContact CD2-CD 3.17Å; H66-P108 WeakPolarHBondContact NE2-CD 3.27Å; H66-P108 WeakPolarHBondContact NE2-CG 3.45Å
67I95.4Very high92.2Very high1 Ų157 Ų571%0.00528%0.276CS..Hα-helixtrans-60.5-49177.6-71.3167.2000110.1L29 F36 L50 S63 L64 E65 R70 C71 I101 I103 P107L29-I67 HydrophobicContact CD1-CG2 4.02Å; F36-I67 HydrophobicContact CZ-CD1 4.39Å; L50-I67 HydrophobicContact CD2-CD1 3.9Å; S63-I67 WeakPolarHBondContact O-CG1 3.06Å; S63-I67 PolarHBondContact O-N 3.4Å; S63-I67 VanDerWaalsContact O-N 3.11Å; L64-I67 PolarHBondContact O-N 3.3Å; E65-I67 PolarHBondContact O-N 2.84Å; I67-R70 PolarHBondContact O-N 3.43Å; I67-C71 HydrophobicContact CG2-CB 4.43Å; I67-C71 WeakPolarHBondContact O-CA 3.12Å; I67-C71 WeakPolarHBondContact O-CB 3.4Å; I67-C71 PolarHBondContact O-N 3.36Å; I67-I101 HydrophobicContact CG2-CG2 3.97Å; I67-I103 HydrophobicContact CD1-CD1 4.4Å; I67-I103 HydrophobicContact CG2-CD1 3.92Å; I67-I103 HydrophobicContact CG2-CG1 4.16Å; I67-P107 HydrophobicContact CD1-CB 4.28Å; I67-P107 HydrophobicContact CD1-CG 4.18Å; I67-P107 HydrophobicContact CG1-CB 3.87Å; I67-P107 HydrophobicContact CG1-CG 4.25Å
68V94.3Very high92.5Very high27 Ų2757.1 Ų57.116%0.16428%0.28CS..Hα-helixtrans-62.5-46.5179.5174.30000110.3V26 L64 E65 R70 L72 I101V26-V68 HydrophobicContact CG1-CG1 4.2Å; V26-V68 HydrophobicContact CG1-CG2 4.19Å; L64-V68 HydrophobicContact CD1-CG2 3.91Å; L64-V68 HydrophobicContact CG-CG2 4.1Å; L64-V68 WeakPolarHBondContact O-CG2 3.47Å; L64-V68 PolarHBondContact O-N 3.15Å; E65-V68 PolarHBondContact O-N 3.17Å; V68-R70 PolarHBondContact O-N 2.85Å; V68-L72 HydrophobicContact CG1-CB 4.47Å; V68-L72 HydrophobicContact CG1-CD2 4.38Å; V68-L72 WeakPolarHBondContact O-CB 3.23Å; V68-L72 PolarHBondContact O-N 3.46Å; V68-L72 VanDerWaalsContact O-N 3.16Å; V68-I101 HydrophobicContact CG2-CD1 4.16Å
69Q93.8Very high92.7Very high129 Ų12959.4 Ų59.460%0.60330%0.304SS*.Hα-helixtrans-61.3-29.4-179.7-75172.9-0.400114E65 H66E65-Q69 HydrophobicContact CG-CG 4.47Å; E65-Q69 WeakPolarHBondContact O-CB 3.4Å; E65-Q69 VanDerWaalsContact O-CG 3.27Å; E65-Q69 WeakPolarHBondContact O-CG 3.43Å; E65-Q69 PolarHBondContact O-N 3.33Å; E65-Q69 PolarHBondContact OE1-NE2 3.15Å; H66-Q69 PolarHBondContact O-N 3.1Å
70R93.9Very high92.9Very high193 Ų19365 Ų6573%0.72833%0.33SS*.Hα-helixtrans-103.7-29.6-174.2-68.1-65.1-173.4146.5-1114.5H66 I67 V68H66-R70 WeakPolarHBondContact O-CB 3.43Å; H66-R70 WeakPolarHBondContact O-CG 3.33Å; H66-R70 PolarHBondContact O-N 2.9Å; H66-R70 VanDerWaalsContact O-N 3.1Å; I67-R70 PolarHBondContact O-N 3.43Å; V68-R70 PolarHBondContact O-N 2.85Å
71C94.1Very high93Very high22 Ų2268.9 Ų68.915%0.14935%0.349CS..Hα-helixtrans-113.9-2.5-169.7-57.30000113.3I67 T73 I101 Q102 I103I67-C71 HydrophobicContact CG2-CB 4.43Å; I67-C71 WeakPolarHBondContact O-CA 3.12Å; I67-C71 WeakPolarHBondContact O-CB 3.4Å; I67-C71 PolarHBondContact O-N 3.36Å; C71-T73 PolarHBondContact O-N 3.11Å; C71-I101 HydrophobicContact CB-CG2 4.02Å; C71-I101 WeakPolarHBondContact O-CA 3.43Å; C71-Q102 WeakPolarHBondContact CB-O 3.43Å; C71-Q102 PolarHBondContact O-N 2.82Å; C71-I103 HydrophobicContact CB-CG1 4.3Å
72L94.3Very high93.1Very high54 Ų5468.8 Ų68.828%0.28335%0.348SS..BIsolated β-bridgetrans-69.3119.1171.9-174.373.5000109.5V68 E74 E75 N100 I101V68-L72 HydrophobicContact CG1-CB 4.47Å; V68-L72 HydrophobicContact CG1-CD2 4.38Å; V68-L72 WeakPolarHBondContact O-CB 3.23Å; V68-L72 PolarHBondContact O-N 3.46Å; V68-L72 VanDerWaalsContact O-N 3.16Å; L72-E74 WeakPolarHBondContact CD1-O 3.5Å; L72-E75 HydrophobicContact CD2-CG 3.91Å; L72-N100 CarbonylContact C-O 3.57Å; L72-N100 WeakPolarHBondContact CA-O 3.22Å; L72-N100 VanDerWaalsContact CD1-ND2 3.27Å; L72-N100 WeakPolarHBondContact CD1-ND2 3.46Å; L72-I101 HydrophobicContact CD1-CD1 4.39Å; L72-I101 HydrophobicContact CD1-CG1 3.64Å
73T93.6Very high93.1Very high77 Ų7772 Ų7247%0.47237%0.371SS..  trans-88.4-31.7-18057.90000112.2C71 N100 Q102C71-T73 PolarHBondContact O-N 3.11Å; T73-N100 PolarHBondContact N-O 2.84Å; T73-N100 WeakPolarHBondContact OG1-CA 3.17Å; T73-N100 PolarHBondContact OG1-O 3.41Å; T73-Q102 HydrophobicContact CG2-CB 4.44Å
74E91.7Very high93Very high45 Ų4574 Ų7421%0.2138%0.378CS..SBendtrans-155.1138.4-179.7-169.8-176.313200110.4L72 S82 P83 L84 N100L72-E74 WeakPolarHBondContact CD1-O 3.5Å; E74-S82 VanDerWaalsContact CD-OG 3.24Å; E74-S82 VanDerWaalsContact OE1-CB 3.23Å; E74-S82 WeakPolarHBondContact OE1-CB 3.4Å; E74-S82 PolarHBondContact OE1-OG 3.13Å; E74-S82 PolarHBondContact OE2-OG 2.84Å; E74-P83 WeakPolarHBondContact OE1-CD 3.43Å; E74-P83 WeakPolarHBondContact OE2-CD 3.36Å; E74-L84 HydrophobicContact CB-CD1 3.85Å; E74-L84 HydrophobicContact CB-CG 4.4Å; E74-L84 WeakPolarHBondContact OE2-CG 3.36Å; E74-N100 PolarHBondContact O-ND2 3.26Å
75E92.5Very high92.8Very high166 Ų16674.5 Ų74.578%0.77638%0.381SS*.  trans-74.6124167.8-73.6-173.6176.300110.2L72L72-E75 HydrophobicContact CD2-CG 3.91Å
76L92.6Very high92.6Very high6 Ų670.7 Ų70.73%0.03138%0.376CS..  trans-98.9141.7-179.5-64177.2000111.3I25 L84 V90 I97 P98 N100I25-L76 HydrophobicContact CD1-CD1 4.42Å; I25-L76 HydrophobicContact CG2-CB 4.24Å; L76-L84 HydrophobicContact CD2-CD1 4.46Å; L76-V90 HydrophobicContact CD2-CG2 4.01Å; L76-I97 HydrophobicContact CD1-CG2 3.9Å; L76-P98 HydrophobicContact CD1-CG 3.89Å; L76-P98 HydrophobicContact CD2-CG 3.9Å; L76-N100 HydrophobicContact CD1-CB 3.76Å; L76-N100 WeakPolarHBondContact CD1-ND2 3.4Å; L76-N100 HydrophobicContact CD2-CB 4.49Å; L76-N100 HydrophobicContact CG-CB 3.96Å; L76-N100 WeakPolarHBondContact CG-ND2 3.49Å
77T92Very high92.4Very high74 Ų7473.2 Ų73.245%0.45439%0.387SS..  trans-130127.8167.8-61.40000108.6G79 Q80T77-G79 PolarHBondContact O-N 3.19Å; T77-Q80 HydrophobicContact CG2-CG 3.8Å; T77-Q80 WeakPolarHBondContact O-CB 3.27Å; T77-Q80 PolarHBondContact O-N 3.44Å
78L91.8Very high92.3Very high94 Ų9479.6 Ų79.649%0.49241%0.412SS..THydrogen-bonded Turntrans-59136.2177.5-65.4177.7000110.3I25 Q80 V90 I97I25-L78 HydrophobicContact CG2-CD2 4.37Å; I25-L78 HydrophobicContact CG2-CG 4.08Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.85Å; L78-V90 HydrophobicContact CD2-CG1 4.21Å; L78-I97 HydrophobicContact CD2-CD1 3.84Å; L78-I97 HydrophobicContact CD2-CG1 4.12Å
79G91.8Very high92.3Very high49 Ų4980.1 Ų80.151%0.50542%0.415SS..THydrogen-bonded Turntrans80.4-2.1-178.300000115.3T77 T89 V90T77-G79 PolarHBondContact O-N 3.19Å; G79-T89 VanDerWaalsContact C-CG2 3.5Å; G79-V90 PolarHBondContact N-O 2.84Å
80Q93.1Very high92.2Very high122 Ų12274.1 Ų74.157%0.5739%0.387SS*.SBendtrans-97.6158.5173.4-65.9-65-25.400111.5T77 L78 T89 V90T77-Q80 HydrophobicContact CG2-CG 3.8Å; T77-Q80 WeakPolarHBondContact O-CB 3.27Å; T77-Q80 PolarHBondContact O-N 3.44Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 2.85Å; Q80-T89 CarbonylContact O-C 3.21Å; Q80-T89 WeakPolarHBondContact O-CA 3.47Å; Q80-V90 WeakPolarHBondContact O-CG2 3.34Å; Q80-V90 PolarHBondContact O-N 2.89Å
81Q93.7Very high92.1Very high133 Ų13366.6 Ų66.662%0.62137%0.37SS*.EExtended strand (participates in β ladder)trans-77.8138.9174.9-68.4-176.2-7.900111.2R88Q81-R88 WeakPolarHBondContact CA-O 3.43Å
82S91.9Very high92Very high0 Ų069.6 Ų69.60%038%0.384CS..EExtended strand (participates in β ladder)trans-123.5132.4178173.70000112.2E74 L84 L85 G86 H87 R88 V90E74-S82 VanDerWaalsContact CD-OG 3.24Å; E74-S82 VanDerWaalsContact OE1-CB 3.23Å; E74-S82 WeakPolarHBondContact OE1-CB 3.4Å; E74-S82 PolarHBondContact OE1-OG 3.13Å; E74-S82 PolarHBondContact OE2-OG 2.84Å; S82-L84 PolarHBondContact O-N 2.92Å; S82-L84 WeakPolarHBondContact OG-CB 3.35Å; S82-L84 PolarHBondContact OG-N 2.96Å; S82-L84 VanDerWaalsContact OG-N 3.15Å; S82-L85 PolarHBondContact O-N 2.99Å; S82-L85 VanDerWaalsContact O-N 3.08Å; S82-G86 PolarHBondContact O-N 2.99Å; S82-H87 VanDerWaalsContact O-CA 3.32Å; S82-H87 WeakPolarHBondContact O-CA 3.47Å; S82-H87 PolarHBondContact O-N 3.43Å; S82-R88 PolarHBondContact N-O 3.42Å; S82-V90 VanDerWaalsContact CB-CG2 3.43Å
83P91.8Very high91.8Very high79 Ų7973.6 Ų73.651%0.51341%0.411SS..G310 helixtrans-51.6-35.5166.5-28.134000114E74 L85 G86E74-P83 WeakPolarHBondContact OE1-CD 3.43Å; E74-P83 WeakPolarHBondContact OE2-CD 3.36Å; P83-L85 PolarHBondContact O-N 3.15Å; P83-L85 VanDerWaalsContact O-N 3.17Å; P83-G86 PolarHBondContact O-N 2.97Å
84L89.8Confident91.7Very high70 Ų7075 Ų7537%0.36642%0.421SS..G310 helixtrans-61.4-24177.7-67172.5000113.2E74 L76 S82 P98 N100E74-L84 HydrophobicContact CB-CD1 3.85Å; E74-L84 HydrophobicContact CB-CG 4.4Å; E74-L84 WeakPolarHBondContact OE2-CG 3.36Å; L76-L84 HydrophobicContact CD2-CD1 4.46Å; S82-L84 PolarHBondContact O-N 2.92Å; S82-L84 WeakPolarHBondContact OG-CB 3.35Å; S82-L84 PolarHBondContact OG-N 2.96Å; S82-L84 VanDerWaalsContact OG-N 3.15Å; L84-P98 HydrophobicContact CB-CB 3.99Å; L84-P98 HydrophobicContact CB-CG 4.05Å; L84-P98 HydrophobicContact CD1-CB 4.42Å; L84-P98 HydrophobicContact CD1-CG 4.24Å; L84-N100 HydrophobicContact CD1-CB 3.7Å
85L89.9Confident91.4Very high32 Ų3277.6 Ų77.617%0.16843%0.432CS..G310 helixtrans-103.914.3175.3-61.6178.3000112.8S82 P83 R88 V90 F95 P98S82-L85 PolarHBondContact O-N 2.99Å; S82-L85 VanDerWaalsContact O-N 3.08Å; P83-L85 PolarHBondContact O-N 3.15Å; P83-L85 VanDerWaalsContact O-N 3.17Å; L85-R88 HydrophobicContact CB-CB 3.92Å; L85-R88 WeakPolarHBondContact O-CB 3.48Å; L85-R88 WeakPolarHBondContact O-CG 3.36Å; L85-R88 PolarHBondContact O-N 2.86Å; L85-V90 HydrophobicContact CD1-CG2 4.21Å; L85-F95 HydrophobicContact CD1-CB 4.08Å; L85-F95 HydrophobicContact CD2-CB 4.23Å; L85-P98 HydrophobicContact CD1-CG 4.27Å; L85-P98 HydrophobicContact CD2-CB 3.76Å; L85-P98 HydrophobicContact CD2-CG 4.12Å; L85-P98 HydrophobicContact CG-CB 4.1Å; L85-P98 HydrophobicContact CG-CG 3.91Å
86G89.1Confident91.3Very high47 Ų4771 Ų7149%0.48541%0.409SS..THydrogen-bonded Turntrans65.943.6-175.200000112.7S82 P83 R88S82-G86 PolarHBondContact O-N 2.99Å; P83-G86 PolarHBondContact O-N 2.97Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.1Å
87H90.3Very high91.3Very high117 Ų11773.3 Ų73.354%0.54242%0.42SS..SBendtrans6132.2-176.5-55-77.1000113.9S82S82-H87 VanDerWaalsContact O-CA 3.32Å; S82-H87 WeakPolarHBondContact O-CA 3.47Å; S82-H87 PolarHBondContact O-N 3.43Å
88R92.4Very high91.4Very high136 Ų13670.4 Ų70.451%0.51340%0.403SS..EExtended strand (participates in β ladder)trans-93.5160.3168.4-58.6-68.8-176.9-115.21.3110.3Q81 S82 L85 G86 F95Q81-R88 WeakPolarHBondContact CA-O 3.43Å; S82-R88 PolarHBondContact N-O 3.42Å; L85-R88 HydrophobicContact CB-CB 3.92Å; L85-R88 WeakPolarHBondContact O-CB 3.48Å; L85-R88 WeakPolarHBondContact O-CG 3.36Å; L85-R88 PolarHBondContact O-N 2.86Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.1Å; R88-F95 HydrophobicContact CB-CD2 4.05Å; R88-F95 HydrophobicContact CB-CE2 4.17Å; R88-F95 HydrophobicContact CB-CG 4.35Å; R88-F95 HydrophobicContact CG-CD2 4.32Å; R88-F95 HydrophobicContact CG-CE1 4.29Å; R88-F95 HydrophobicContact CG-CE2 3.98Å; R88-F95 HydrophobicContact CG-CZ 3.98Å
89T94Very high91.5Very high37 Ų3767.7 Ų67.723%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-69.7131.8-179.2-46.10000111.4G79 Q80 D92G79-T89 VanDerWaalsContact C-CG2 3.5Å; Q80-T89 CarbonylContact O-C 3.21Å; Q80-T89 WeakPolarHBondContact O-CA 3.47Å; T89-D92 WeakPolarHBondContact CB-OD2 3.48Å; T89-D92 HydrophobicContact CG2-CB 4.35Å; T89-D92 VanDerWaalsContact CG2-OD2 3.28Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.34Å; T89-D92 PolarHBondContact OG1-OD2 2.92Å
90V92.6Very high91.6Very high3 Ų365.3 Ų65.32%0.01837%0.366CS..THydrogen-bonded Turntrans-73126.7175.3-178.50000110.1L76 L78 G79 Q80 S82 L85 I97L76-V90 HydrophobicContact CD2-CG2 4.01Å; L78-V90 HydrophobicContact CD2-CG1 4.21Å; G79-V90 PolarHBondContact N-O 2.84Å; Q80-V90 WeakPolarHBondContact O-CG2 3.34Å; Q80-V90 PolarHBondContact O-N 2.89Å; S82-V90 VanDerWaalsContact CB-CG2 3.43Å; L85-V90 HydrophobicContact CD1-CG2 4.21Å; V90-I97 HydrophobicContact CG1-CG1 4.45Å; V90-I97 HydrophobicContact CG1-CG2 4.32Å
91G90.8Very high91.7Very high36 Ų3659.5 Ų59.537%0.37134%0.339SS..THydrogen-bonded Turntrans93.6-13.218000000114.4G96G91-G96 WeakPolarHBondContact CA-O 3.26Å; G91-G96 PolarHBondContact N-O 3.05Å
92D92.8Very high91.6Very high84 Ų8457.2 Ų57.245%0.44933%0.328SS..  trans-76.8144.5-179.9-81.5-1.6000112T89 F95 G96T89-D92 WeakPolarHBondContact CB-OD2 3.48Å; T89-D92 HydrophobicContact CG2-CB 4.35Å; T89-D92 VanDerWaalsContact CG2-OD2 3.28Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.34Å; T89-D92 PolarHBondContact OG1-OD2 2.92Å; D92-F95 PolarHBondContact O-N 3.41Å; D92-G96 PolarHBondContact O-N 2.8Å
93V89.8Confident91.6Very high139 Ų13957.4 Ų57.484%0.84233%0.329SS*.THydrogen-bonded Turntrans-68.1135.2171.6176.90000109.4
94P90.7Very high91.3Very high107 Ų10758.7 Ų58.770%0.69534%0.335SS*.THydrogen-bonded Turncis-9584.838-38.2000115.3
95F85.5Confident91.3Very high99 Ų9962.5 Ų62.543%0.43435%0.351SS..THydrogen-bonded Turntrans-84.8-31.8-166.2-54.6-73.3000113.8L85 R88 D92L85-F95 HydrophobicContact CD1-CB 4.08Å; L85-F95 HydrophobicContact CD2-CB 4.23Å; R88-F95 HydrophobicContact CB-CD2 4.05Å; R88-F95 HydrophobicContact CB-CE2 4.17Å; R88-F95 HydrophobicContact CB-CG 4.35Å; R88-F95 HydrophobicContact CG-CD2 4.32Å; R88-F95 HydrophobicContact CG-CE1 4.29Å; R88-F95 HydrophobicContact CG-CE2 3.98Å; R88-F95 HydrophobicContact CG-CZ 3.98Å; D92-F95 PolarHBondContact O-N 3.41Å
96G90.8Very high91.3Very high28 Ų2865.4 Ų65.429%0.28937%0.372SS..  trans60.4-143.6-178.700000112.1G91 D92G91-G96 WeakPolarHBondContact CA-O 3.26Å; G91-G96 PolarHBondContact N-O 3.05Å; D92-G96 PolarHBondContact O-N 2.8Å
97I93.4Very high91.5Very high53 Ų5363.8 Ų63.827%0.27235%0.353SS..  trans-108.6124.2-176.7-54.8179.6000109.2F18 I25 I28 L76 L78 V90F18-I97 HydrophobicContact CZ-CD1 4.45Å; I25-I97 HydrophobicContact CD1-CB 4.3Å; I25-I97 HydrophobicContact CD1-CD1 3.67Å; I25-I97 HydrophobicContact CD1-CG1 4.37Å; I25-I97 HydrophobicContact CD1-CG2 3.16Å; I28-I97 HydrophobicContact CD1-CB 4.21Å; I28-I97 HydrophobicContact CD1-CG2 3.88Å; I28-I97 HydrophobicContact CG1-CB 4.04Å; I28-I97 HydrophobicContact CG1-CG2 3.5Å; I28-I97 VanDerWaalsContact CG1-CG2 3.5Å; L76-I97 HydrophobicContact CD1-CG2 3.9Å; L78-I97 HydrophobicContact CD2-CD1 3.84Å; L78-I97 HydrophobicContact CD2-CG1 4.12Å; V90-I97 HydrophobicContact CG1-CG1 4.45Å; V90-I97 HydrophobicContact CG1-CG2 4.32Å
98P93.7Very high91.5Very high14 Ų1461.6 Ų61.69%0.09135%0.349CS..  trans-75.6158.5-178.331.3-33.7000112.5I28 L76 L84 L85 N100I28-P98 WeakPolarHBondContact CG1-O 3.48Å; L76-P98 HydrophobicContact CD1-CG 3.89Å; L76-P98 HydrophobicContact CD2-CG 3.9Å; L84-P98 HydrophobicContact CB-CB 3.99Å; L84-P98 HydrophobicContact CB-CG 4.05Å; L84-P98 HydrophobicContact CD1-CB 4.42Å; L84-P98 HydrophobicContact CD1-CG 4.24Å; L85-P98 HydrophobicContact CD1-CG 4.27Å; L85-P98 HydrophobicContact CD2-CB 3.76Å; L85-P98 HydrophobicContact CD2-CG 4.12Å; L85-P98 HydrophobicContact CG-CB 4.1Å; L85-P98 HydrophobicContact CG-CG 3.91Å; P98-N100 PolarHBondContact O-N 2.91Å
99V93.8Very high91.5Very high36 Ų3659 Ų5922%0.21835%0.345CS..EExtended strand (participates in β ladder)trans-70.1107.3166.6-177.80000109.6I28 E30 Q102I28-V99 HydrophobicContact CB-CG2 4.48Å; I28-V99 HydrophobicContact CG2-CG2 3.96Å; E30-V99 HydrophobicContact CB-CG1 3.88Å; V99-Q102 HydrophobicContact CG1-CG 3.92Å
100N94.5Very high91Very high0 Ų062 Ų620%036%0.36CS..EExtended strand (participates in β ladder)trans-113.10.4178.769.3-37.9000113.3V26 G27 I28 L72 T73 E74 L76 L84 P98V26-N100 PolarHBondContact O-ND2 2.83Å; G27-N100 WeakPolarHBondContact CA-OD1 3.32Å; I28-N100 PolarHBondContact N-OD1 3.45Å; I28-N100 PolarHBondContact O-N 3.42Å; L72-N100 CarbonylContact C-O 3.57Å; L72-N100 WeakPolarHBondContact CA-O 3.22Å; L72-N100 VanDerWaalsContact CD1-ND2 3.27Å; L72-N100 WeakPolarHBondContact CD1-ND2 3.46Å; T73-N100 PolarHBondContact N-O 2.84Å; T73-N100 WeakPolarHBondContact OG1-CA 3.17Å; T73-N100 PolarHBondContact OG1-O 3.41Å; E74-N100 PolarHBondContact O-ND2 3.26Å; L76-N100 HydrophobicContact CD1-CB 3.76Å; L76-N100 WeakPolarHBondContact CD1-ND2 3.4Å; L76-N100 HydrophobicContact CD2-CB 4.49Å; L76-N100 HydrophobicContact CG-CB 3.96Å; L76-N100 WeakPolarHBondContact CG-ND2 3.49Å; L84-N100 HydrophobicContact CD1-CB 3.7Å; P98-N100 PolarHBondContact O-N 2.91Å
101I94.8Very high90.6Very high0 Ų062.5 Ų62.50%036%0.361CS..EExtended strand (participates in β ladder)trans-120.7105.6172.1-52.2162.9000108.2I28 L29 E30 I67 V68 C71 L72I28-I101 PolarHBondContact O-N 3.17Å; L29-I101 HydrophobicContact CB-CB 4.34Å; L29-I101 HydrophobicContact CB-CD1 4.39Å; L29-I101 HydrophobicContact CD1-CB 4.05Å; L29-I101 HydrophobicContact CD1-CG2 3.53Å; E30-I101 PolarHBondContact N-O 3.46Å; I67-I101 HydrophobicContact CG2-CG2 3.97Å; V68-I101 HydrophobicContact CG2-CD1 4.16Å; C71-I101 HydrophobicContact CB-CG2 4.02Å; C71-I101 WeakPolarHBondContact O-CA 3.43Å; L72-I101 HydrophobicContact CD1-CD1 4.39Å; L72-I101 HydrophobicContact CD1-CG1 3.64Å
102Q90.9Very high90.4Very high85 Ų8564.3 Ų64.340%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-119.9115.2-173.2-67.2-174.86.200111.2C71 T73 V99 T104C71-Q102 WeakPolarHBondContact CB-O 3.43Å; C71-Q102 PolarHBondContact O-N 2.82Å; T73-Q102 HydrophobicContact CG2-CB 4.44Å; V99-Q102 HydrophobicContact CG1-CG 3.92Å; Q102-T104 PolarHBondContact O-N 2.88Å
103I91.4Very high90Very high3 Ų360.8 Ų60.82%0.01534%0.342CS..  trans-87.5110.3179.7-63.6171.9000109.1L29 N32 F36 I67 C71 E105L29-I103 HydrophobicContact CD1-CD1 3.74Å; L29-I103 HydrophobicContact CD1-CG1 4.16Å; N32-I103 PolarHBondContact ND2-O 2.86Å; F36-I103 HydrophobicContact CD2-CD1 4.49Å; F36-I103 HydrophobicContact CE1-CD1 4.45Å; F36-I103 HydrophobicContact CE2-CD1 3.32Å; F36-I103 HydrophobicContact CZ-CD1 3.3Å; I67-I103 HydrophobicContact CD1-CD1 4.4Å; I67-I103 HydrophobicContact CG2-CD1 3.92Å; I67-I103 HydrophobicContact CG2-CG1 4.16Å; C71-I103 HydrophobicContact CB-CG1 4.3Å; I103-E105 WeakPolarHBondContact CG2-O 3.17Å
104T86.4Confident89.6Confident106 Ų10659 Ų5965%0.6532%0.324SS*.  trans-93.7-31.1178.751.20000112.6Q102Q102-T104 PolarHBondContact O-N 2.88Å
105E88.9Confident88.9Confident150 Ų15054.1 Ų54.170%0.70129%0.292SS*.SBendtrans-126.7152.3-179.7-65.4-177.6-179.200110.4I103 P107I103-E105 WeakPolarHBondContact CG2-O 3.17Å; E105-P107 WeakPolarHBondContact O-CD 3.35Å
106P90.3Very high88.1Confident93 Ų9353.3 Ų53.360%0.60429%0.289SS*.PPolyproline II helixtrans-58.5122.5177.6-24.734.8000112.3G35G35-P106 VanDerWaalsContact O-CA 3.26Å; G35-P106 WeakPolarHBondContact O-CA 3.49Å; G35-P106 WeakPolarHBondContact O-CB 3.43Å
107P92.9Very high87Confident14 Ų1458.6 Ų58.69%0.09131%0.311CS..PPolyproline II helixtrans-65.9154.5176.523.9-29000111F36 Y62 I67 E105 L109F36-P107 HydrophobicContact CD1-CG 4.46Å; F36-P107 HydrophobicContact CE1-CG 3.76Å; F36-P107 HydrophobicContact CZ-CG 4.18Å; Y62-P107 HydrophobicContact CD1-CB 4.01Å; Y62-P107 HydrophobicContact CD1-CG 3.6Å; Y62-P107 HydrophobicContact CE1-CG 3.9Å; Y62-P107 WeakPolarHBondContact CE1-O 3.44Å; Y62-P107 HydrophobicContact CG-CG 4.16Å; I67-P107 HydrophobicContact CD1-CB 4.28Å; I67-P107 HydrophobicContact CD1-CG 4.18Å; I67-P107 HydrophobicContact CG1-CB 3.87Å; I67-P107 HydrophobicContact CG1-CG 4.25Å; E105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-L109 PolarHBondContact O-N 3.35Å
108P91.9Very high86Confident71 Ų7157.4 Ų57.446%0.46131%0.312SS..PPolyproline II helixtrans-57.3126.5177.8-24.334.3000111.7Y62 H66 L110Y62-P108 WeakPolarHBondContact CD1-O 3.46Å; H66-P108 VanDerWaalsContact CD2-CD 3.48Å; H66-P108 WeakPolarHBondContact CD2-CD 3.17Å; H66-P108 WeakPolarHBondContact NE2-CD 3.27Å; H66-P108 WeakPolarHBondContact NE2-CG 3.45Å; P108-L110 PolarHBondContact O-N 3.47Å
109L90.7Very high85.5Confident80 Ų8058 Ų5842%0.41931%0.314SS..EExtended strand (participates in β ladder)trans-73.3122.3176.3-177.866.5000109.5K60 Y62 P107 F111 E112K60-L109 HydrophobicContact CB-CD1 3.58Å; K60-L109 HydrophobicContact CD-CD1 4.1Å; K60-L109 HydrophobicContact CG-CD1 3.86Å; Y62-L109 HydrophobicContact CE1-CB 4.45Å; Y62-L109 HydrophobicContact CE1-CD1 4.1Å; P107-L109 PolarHBondContact O-N 3.35Å; L109-F111 VanDerWaalsContact CD1-O 3.27Å; L109-F111 WeakPolarHBondContact CD1-O 3.03Å; L109-E112 HydrophobicContact CD2-CB 4.06Å
110L85.3Confident85.2Confident102 Ų10260 Ų6053%0.53432%0.321SS..EExtended strand (participates in β ladder)trans-81.9-41.4174-61.3-179.3000111.4L61 P108L61-L110 HydrophobicContact CB-CB 4.44Å; L61-L110 WeakPolarHBondContact O-CB 3.42Å; L61-L110 PolarHBondContact O-N 2.93Å; P108-L110 PolarHBondContact O-N 3.47Å
111F84.1Confident84.8Confident13 Ų1361 Ų616%0.05733%0.326CS..EExtended strand (participates in β ladder)trans-160.9147.4-172.4-179-95.2000110.7K60 L61 L109 A113 L146 S149K60-F111 WeakPolarHBondContact CA-O 3.39Å; L61-F111 HydrophobicContact CB-CB 4.1Å; L61-F111 HydrophobicContact CD1-CB 3.91Å; L61-F111 HydrophobicContact CD1-CD1 3.68Å; L61-F111 HydrophobicContact CD1-CG 4.14Å; L61-F111 HydrophobicContact CG-CB 4.08Å; L61-F111 HydrophobicContact CG-CD1 4.02Å; L61-F111 PolarHBondContact N-O 3.12Å; L109-F111 VanDerWaalsContact CD1-O 3.27Å; L109-F111 WeakPolarHBondContact CD1-O 3.03Å; F111-A113 HydrophobicContact CD1-CB 4.35Å; F111-A113 HydrophobicContact CE1-CB 3.43Å; F111-A113 VanDerWaalsContact CE1-CB 3.43Å; F111-A113 HydrophobicContact CZ-CB 3.89Å; F111-L146 HydrophobicContact CB-CD2 4.27Å; F111-L146 HydrophobicContact CD1-CD2 3.86Å; F111-L146 HydrophobicContact CD2-CD2 3.89Å; F111-L146 HydrophobicContact CE1-CD2 4.07Å; F111-L146 HydrophobicContact CE2-CD2 4.11Å; F111-L146 HydrophobicContact CG-CD2 3.75Å; F111-L146 HydrophobicContact CZ-CD2 4.22Å; F111-S149 WeakPolarHBondContact CD2-OG 3.49Å; F111-S149 WeakPolarHBondContact CE2-OG 3.27Å
112E87Confident84.4Confident74 Ų7461.1 Ų61.135%0.34633%0.327SS..EExtended strand (participates in β ladder)trans-135135.2171.8175.5168.2-143.800109.9S58 V59 K60 L109 F114S58-E112 WeakPolarHBondContact CB-OE1 2.92Å; S58-E112 PolarHBondContact OG-OE1 2.83Å; V59-E112 WeakPolarHBondContact O-CA 3.06Å; K60-E112 WeakPolarHBondContact CE-OE1 2.95Å; K60-E112 HydrophobicContact CG-CB 4.39Å; K60-E112 HydrophobicContact CG-CG 4.2Å; K60-E112 IonicContact NZ-OE1 3.99Å; L109-E112 HydrophobicContact CD2-CB 4.06Å; E112-F114 HydrophobicContact CG-CE2 4.46Å
113A82.6Confident84Confident9 Ų957.5 Ų57.57%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-142.5162.8171.100000111S58 V59 F111 I119S58-A113 CarbonylContact C-O 3.53Å; S58-A113 WeakPolarHBondContact CA-O 3.47Å; V59-A113 PolarHBondContact N-O 3.17Å; V59-A113 PolarHBondContact O-N 3.01Å; V59-A113 VanDerWaalsContact O-N 3.08Å; F111-A113 HydrophobicContact CD1-CB 4.35Å; F111-A113 HydrophobicContact CE1-CB 3.43Å; F111-A113 VanDerWaalsContact CE1-CB 3.43Å; F111-A113 HydrophobicContact CZ-CB 3.89Å; A113-I119 HydrophobicContact CB-CD1 3.37Å
114F81.6Confident83.6Confident103 Ų10364.5 Ų64.545%0.45234%0.343SS..EExtended strand (participates in β ladder)trans-111.1122.7-177.4-65-94.2000109.8K57 E112 Y130 P133K57-F114 CarbonylContact O-C 3.47Å; K57-F114 VanDerWaalsContact O-CA 3.26Å; K57-F114 WeakPolarHBondContact O-CA 3.42Å; E112-F114 HydrophobicContact CG-CE2 4.46Å; F114-Y130 WeakPolarHBondContact O-CD2 3.48Å; F114-P133 HydrophobicContact CB-CG 4.24Å
115S75.7Confident83.6Confident4 Ų461.5 Ų61.53%0.02833%0.326CS..  trans-147.6145.7177.4-167.70000112.9K57 N117 G118 T131K57-S115 WeakPolarHBondContact CB-O 3.41Å; K57-S115 PolarHBondContact O-N 3.13Å; S115-N117 PolarHBondContact OG-N 2.87Å; S115-G118 VanDerWaalsContact CB-O 3.28Å; S115-G118 WeakPolarHBondContact CB-O 3.47Å; S115-G118 PolarHBondContact OG-O 2.89Å; S115-T131 PolarHBondContact OG-O 2.65Å
116H69Low83.4Confident82 Ų8259.7 Ų59.738%0.3831%0.312SS..SBendtrans-74.9-31.5173-80.8-45.2000113.5P133H116-P133 VanDerWaalsContact CD2-C 3.43Å; H116-P133 WeakPolarHBondContact CD2-CA 3Å; H116-P133 PolarHBondContact CD2-O 3.39Å; H116-P133 VanDerWaalsContact NE2-CA 3.26Å; H116-P133 WeakPolarHBondContact NE2-CA 3.41Å; H116-P133 WeakPolarHBondContact NE2-CB 3.26Å; H116-P133 PolarHBondContact NE2-O 3.02Å
117N68.5Low83.4Confident139 Ų13955.3 Ų55.374%0.74328%0.284SS*.SBendtrans-116.316.8-165-63.2-0.8000112.5S115S115-N117 PolarHBondContact OG-N 2.87Å
118G72.8Confident83.2Confident28 Ų2854.6 Ų54.629%0.28928%0.279SS..  trans84.8-178.4-17500000113.2S115S115-G118 VanDerWaalsContact CB-O 3.28Å; S115-G118 WeakPolarHBondContact CB-O 3.47Å; S115-G118 PolarHBondContact OG-O 2.89Å
119I83.1Confident83.1Confident25 Ų2551.5 Ų51.513%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-128.4136.1-179.5-60.6-168.8000108.1V59 A113 I121 C128V59-I119 HydrophobicContact CB-CB 4.45Å; V59-I119 HydrophobicContact CB-CD1 3.6Å; V59-I119 HydrophobicContact CB-CG1 3.83Å; V59-I119 HydrophobicContact CG1-CB 4.23Å; V59-I119 HydrophobicContact CG1-CD1 4.1Å; V59-I119 HydrophobicContact CG1-CG1 4.17Å; V59-I119 HydrophobicContact CG2-CD1 4.11Å; V59-I119 HydrophobicContact CG2-CG1 3.86Å; A113-I119 HydrophobicContact CB-CD1 3.37Å; I119-I121 HydrophobicContact CG2-CG1 4.3Å; I119-C128 HydrophobicContact CG2-CB 3.77Å
120Q86.2Confident83Confident80 Ų8049.9 Ų49.937%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-99.1143.3168.7-59.5-17725.600109.8C128 I129 I169 F171Q120-C128 CarbonylContact O-C 3.6Å; Q120-C128 WeakPolarHBondContact O-CA 3.47Å; Q120-C128 WeakPolarHBondContact O-CB 3.38Å; Q120-I129 HydrophobicContact CB-CB 4.34Å; Q120-I129 PolarHBondContact N-O 3.44Å; Q120-I129 PolarHBondContact O-N 2.67Å; Q120-I169 PolarHBondContact NE2-O 2.94Å; Q120-I169 PolarHBondContact OE1-O 2.88Å; Q120-F171 HydrophobicContact CB-CD2 4.3Å; Q120-F171 HydrophobicContact CB-CE2 4.39Å
121I86.1Confident83Confident21 Ų2145.7 Ų45.711%0.10823%0.226CC..EExtended strand (participates in β ladder)trans-127.7134.4179.6-62.9155.9000108V49 A51 L61 I119 W126 C128 L146V49-I121 HydrophobicContact CG1-CD1 4.1Å; A51-I121 HydrophobicContact CB-CD1 4.26Å; L61-I121 HydrophobicContact CD1-CD1 3.44Å; L61-I121 VanDerWaalsContact CD1-CD1 3.44Å; L61-I121 HydrophobicContact CD1-CG1 3.99Å; L61-I121 HydrophobicContact CD2-CD1 3.5Å; L61-I121 HydrophobicContact CG-CD1 4.11Å; I119-I121 HydrophobicContact CG2-CG1 4.3Å; I121-W126 HydrophobicContact CG2-CE3 4.24Å; I121-W126 HydrophobicContact CG2-CZ3 4.44Å; I121-C128 HydrophobicContact CG1-CB 4.48Å; I121-L146 HydrophobicContact CG1-CD1 4.47Å; I121-L146 HydrophobicContact CG2-CD1 3.59Å
122G86.5Confident82.9Confident1 Ų146 Ų461%0.0123%0.229CC..EExtended strand (participates in β ladder)trans168.4-159.8179.800000112.1H127 F171G122-H127 PolarHBondContact N-O 2.81Å; G122-H127 VanDerWaalsContact N-O 3.09Å; G122-H127 PolarHBondContact O-N 2.85Å; G122-H127 VanDerWaalsContact O-O 3.11Å; G122-F171 VanDerWaalsContact N-CD2 3.34Å; G122-F171 WeakPolarHBondContact O-CE1 3.16Å; G122-F171 WeakPolarHBondContact O-CZ 3.5Å
123G84.3Confident82.2Confident10 Ų1045.2 Ų45.210%0.10323%0.231CC..THydrogen-bonded Turntrans75.7165.2-175.700000113.4P125G123-P125 CarbonylContact C-O 3.48Å; G123-P125 CarbonylContact O-C 3.57Å
124F82.8Confident81.6Confident150 Ų15049.5 Ų49.566%0.65825%0.249SC*.THydrogen-bonded Turntrans-132109.7174-175.1-97.8000108.2G177F124-G177 VanDerWaalsContact N-CA 3.28Å; F124-G177 WeakPolarHBondContact O-CA 3.32Å
125P84.8Confident80.7Confident43 Ų4354.3 Ų54.328%0.27927%0.27SS..THydrogen-bonded Turncis-70.91692.519.1-16.2000113.6G123 H127G123-P125 CarbonylContact C-O 3.48Å; G123-P125 CarbonylContact O-C 3.57Å; P125-H127 PolarHBondContact O-N 2.86Å; P125-H127 PolarHBondContact O-ND1 2.87Å
126W86.1Confident80.2Confident111 Ų11162.6 Ų62.642%0.4231%0.305SS..THydrogen-bonded Turntrans-62.9120.1-175.3-66.3107.9000113.7Q47 I121 L146Q47-W126 HydrophobicContact CB-CH2 3.53Å; Q47-W126 HydrophobicContact CB-CZ3 4.04Å; Q47-W126 HydrophobicContact CG-CH2 4.11Å; Q47-W126 HydrophobicContact CG-CZ3 4.39Å; I121-W126 HydrophobicContact CG2-CE3 4.24Å; I121-W126 HydrophobicContact CG2-CZ3 4.44Å; W126-L146 HydrophobicContact CB-CB 4.28Å; W126-L146 HydrophobicContact CB-CD1 4.19Å; W126-L146 PolarHBondContact O-N 2.7Å; W126-L146 VanDerWaalsContact O-N 3.09Å
127H89.4Confident79.8Confident1 Ų161.7 Ų61.71%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-128.9166.7175.9-71.370.8000110.6G122 P125 I143 C144 S145 F171 I192 S202G122-H127 PolarHBondContact N-O 2.81Å; G122-H127 VanDerWaalsContact N-O 3.09Å; G122-H127 PolarHBondContact O-N 2.85Å; G122-H127 VanDerWaalsContact O-O 3.11Å; P125-H127 PolarHBondContact O-N 2.86Å; P125-H127 PolarHBondContact O-ND1 2.87Å; H127-I143 HydrophobicContact CB-CG2 4.19Å; H127-C144 CarbonylContact C-O 3.59Å; H127-C144 WeakPolarHBondContact CA-O 3.43Å; H127-C144 VanDerWaalsContact CB-O 3.26Å; H127-C144 WeakPolarHBondContact CB-O 3.33Å; H127-C144 VanDerWaalsContact CD2-C 3.44Å; H127-C144 PolarHBondContact CD2-O 2.85Å; H127-S145 PolarHBondContact CD2-N 2.88Å; H127-F171 VanDerWaalsContact C-CZ 3.47Å; H127-F171 HydrophobicContact CB-CE1 3.93Å; H127-F171 HydrophobicContact CB-CZ 3.71Å; H127-F171 WeakPolarHBondContact O-CE2 3.28Å; H127-F171 VanDerWaalsContact O-CZ 3.25Å; H127-F171 WeakPolarHBondContact O-CZ 3.39Å; H127-I192 HydrophobicContact CB-CD1 4.05Å; H127-I192 VanDerWaalsContact CE1-CG2 3.44Å; H127-I192 WeakPolarHBondContact CE1-CG2 3.42Å; H127-S202 PolarHBondContact CE1-OG 2.85Å; H127-S202 WeakPolarHBondContact NE2-CB 3.46Å; H127-S202 PolarHBondContact NE2-OG 2.81Å
128C88.8Confident79.8Confident0 Ų064 Ų640%030%0.3CS..EExtended strand (participates in β ladder)trans-121147.1167.968.30000111.3I119 Q120 I121 I143 C144 L146I119-C128 HydrophobicContact CG2-CB 3.77Å; Q120-C128 CarbonylContact O-C 3.6Å; Q120-C128 WeakPolarHBondContact O-CA 3.47Å; Q120-C128 WeakPolarHBondContact O-CB 3.38Å; I121-C128 HydrophobicContact CG1-CB 4.48Å; C128-I143 WeakPolarHBondContact O-CA 3.37Å; C128-C144 PolarHBondContact N-O 2.87Å; C128-C144 PolarHBondContact O-N 2.89Å; C128-L146 HydrophobicContact CB-CD2 3.91Å; C128-L146 HydrophobicContact CB-CG 4.31Å
129I90.7Very high79.9Confident5 Ų563.2 Ų63.23%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-114.7127.3171.9-52.4175.9000107.8Q120 H141 Y142 I143 I169 F171 V179Q120-I129 HydrophobicContact CB-CB 4.34Å; Q120-I129 PolarHBondContact N-O 3.44Å; Q120-I129 PolarHBondContact O-N 2.67Å; I129-H141 HydrophobicContact CG2-CB 4.12Å; I129-Y142 WeakPolarHBondContact CA-O 3.36Å; I129-I143 HydrophobicContact CG1-CG1 4.19Å; I129-I169 HydrophobicContact CD1-CG1 4.28Å; I129-I169 HydrophobicContact CG2-CG2 3.72Å; I129-F171 HydrophobicContact CB-CE2 4.38Å; I129-F171 HydrophobicContact CD1-CD1 4.2Å; I129-F171 HydrophobicContact CD1-CD2 3.96Å; I129-F171 HydrophobicContact CD1-CE1 4.04Å; I129-F171 HydrophobicContact CD1-CE2 3.81Å; I129-F171 HydrophobicContact CD1-CG 4.16Å; I129-F171 HydrophobicContact CD1-CZ 3.85Å; I129-F171 HydrophobicContact CG1-CD2 4.2Å; I129-F171 HydrophobicContact CG1-CE1 4.11Å; I129-F171 HydrophobicContact CG1-CE2 3.54Å; I129-F171 HydrophobicContact CG1-CZ 3.49Å; I129-F171 VanDerWaalsContact CG1-CZ 3.49Å; I129-V179 HydrophobicContact CD1-CG1 3.75Å; I129-V179 HydrophobicContact CD1-CG2 4.19Å
130Y87.6Confident80.1Confident46 Ų4662.5 Ų62.518%0.1829%0.288CS..EExtended strand (participates in β ladder)trans-148.2157.6174.672.1-80.3000111.6F114 P132 Y142 C144F114-Y130 WeakPolarHBondContact O-CD2 3.48Å; Y130-P132 HydrophobicContact CE2-CG 4.1Å; Y130-Y142 PolarHBondContact N-O 3.42Å; Y130-Y142 VanDerWaalsContact N-O 3.1Å; Y130-Y142 PolarHBondContact O-N 2.96Å; Y130-C144 HydrophobicContact CE1-CB 4.46Å
131T86.1Confident80.3Confident15 Ų1559.8 Ų59.89%0.09228%0.275CS..  trans-102.5122.8170.7-63.90000109S115 H137 T140 H141S115-T131 PolarHBondContact OG-O 2.65Å; T131-H137 WeakPolarHBondContact CG2-O 3.33Å; T131-T140 WeakPolarHBondContact CG2-O 3.29Å; T131-T140 PolarHBondContact OG1-O 3.3Å; T131-H141 PolarHBondContact OG1-CE1 2.67Å; T131-H141 PolarHBondContact OG1-ND1 2.86Å
132P81.3Confident80.6Confident18 Ų1861 Ų6112%0.11728%0.279CS..  trans-59.9151.2178.4-24.232.6000112.5Y130 H134 Y142Y130-P132 HydrophobicContact CE2-CG 4.1Å; P132-H134 PolarHBondContact O-N 3.03Å; P132-Y142 HydrophobicContact CG-CD1 4.33Å; P132-Y142 HydrophobicContact CG-CD2 3.37Å; P132-Y142 HydrophobicContact CG-CE1 4.27Å; P132-Y142 HydrophobicContact CG-CE2 3.3Å; P132-Y142 HydrophobicContact CG-CG 3.93Å
133P71.4Confident80.9Confident58 Ų5860.9 Ų60.938%0.37728%0.278SS..SBendtrans-76.424.6-169.430.4-36000115.2F114 H116F114-P133 HydrophobicContact CB-CG 4.24Å; H116-P133 VanDerWaalsContact CD2-C 3.43Å; H116-P133 WeakPolarHBondContact CD2-CA 3Å; H116-P133 PolarHBondContact CD2-O 3.39Å; H116-P133 VanDerWaalsContact NE2-CA 3.26Å; H116-P133 WeakPolarHBondContact NE2-CA 3.41Å; H116-P133 WeakPolarHBondContact NE2-CB 3.26Å; H116-P133 PolarHBondContact NE2-O 3.02Å
134H71.8Confident81.2Confident100 Ų10060.6 Ų60.646%0.46327%0.274SS..  trans-107131.1-177.3-160.6-88.9000111.3P132 K136 H137P132-H134 PolarHBondContact O-N 3.03Å; H134-K136 WeakPolarHBondContact ND1-CB 3.37Å; H134-K136 PolarHBondContact ND1-N 2.86Å; H134-K136 PolarHBondContact O-N 2.87Å; H134-H137 PolarHBondContact O-N 3.42Å
135K61.6Low81.4Confident204 Ų20454 Ų5489%0.88725%0.246SC*.G310 helixtrans-56.1-25.5-177.1-70.1-171.8177.7-175.80114.3H137K135-H137 VanDerWaalsContact C-N 3.25Å; K135-H137 PolarHBondContact O-N 2.82Å
136K65Low81.4Confident177 Ų17753.5 Ų53.577%0.7724%0.242SC*.G310 helixtrans-74.8-10.3176.6-61.6-177-177.9-179.90114.1H134H134-K136 WeakPolarHBondContact ND1-CB 3.37Å; H134-K136 PolarHBondContact ND1-N 2.86Å; H134-K136 PolarHBondContact O-N 2.87Å
137H62.1Low81.2Confident64 Ų6455.6 Ų55.630%0.29625%0.254SS..G310 helixtrans-110.519-178.3-60-47.5000112.3T131 H134 K135 G139 T140T131-H137 WeakPolarHBondContact CG2-O 3.33Å; H134-H137 PolarHBondContact O-N 3.42Å; K135-H137 VanDerWaalsContact C-N 3.25Å; K135-H137 PolarHBondContact O-N 2.82Å; H137-G139 PolarHBondContact O-N 3.08Å; H137-T140 WeakPolarHBondContact O-CB 3.47Å; H137-T140 PolarHBondContact O-N 3.37Å
138R67.3Low80.9Confident188 Ų18859.3 Ų59.371%0.70927%0.274SS*.THydrogen-bonded Turntrans-61.9127.9169.9-170.6178.7179.8-174.8-0.4108T140 S166R138-T140 VanDerWaalsContact C-N 3.33Å; R138-S166 PolarHBondContact NE-OG 2.8Å
139G75.3Confident80.6Confident11 Ų1162.8 Ų62.811%0.11330%0.298CS..THydrogen-bonded Turntrans75.318.1-17100000114.3H137 N158 D167H137-G139 PolarHBondContact O-N 3.08Å; G139-N158 WeakPolarHBondContact O-CA 3.2Å; G139-D167 WeakPolarHBondContact CA-OD1 3.06Å
140T87.4Confident80.5Confident10 Ų1064.9 Ų64.96%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-118.7127.1170.7-52.20000109.8T131 H137 R138 Y142 I156 Q157 N158T131-T140 WeakPolarHBondContact CG2-O 3.29Å; T131-T140 PolarHBondContact OG1-O 3.3Å; H137-T140 WeakPolarHBondContact O-CB 3.47Å; H137-T140 PolarHBondContact O-N 3.37Å; R138-T140 VanDerWaalsContact C-N 3.33Å; T140-Y142 HydrophobicContact CG2-CD2 4.28Å; T140-Y142 HydrophobicContact CG2-CE2 3.76Å; T140-I156 HydrophobicContact CG2-CG2 3.52Å; T140-Q157 CarbonylContact C-O 3.45Å; T140-Q157 WeakPolarHBondContact CA-O 3.43Å; T140-N158 HydrophobicContact CG2-CB 4.49Å; T140-N158 PolarHBondContact OG1-ND2 3.09Å; T140-N158 VanDerWaalsContact OG1-ND2 3.17Å
141H90.6Very high80.7Confident22 Ų2266 Ų6610%0.10232%0.32CS..EExtended strand (participates in β ladder)trans-120.4136.9-173.9-55.8-80000110I129 T131 I156 Q157 D167 I169I129-H141 HydrophobicContact CG2-CB 4.12Å; T131-H141 PolarHBondContact OG1-CE1 2.67Å; T131-H141 PolarHBondContact OG1-ND1 2.86Å; H141-I156 CarbonylContact O-C 3.58Å; H141-I156 WeakPolarHBondContact O-CA 3.5Å; H141-Q157 HydrophobicContact CB-CB 4.43Å; H141-Q157 PolarHBondContact N-O 2.75Å; H141-Q157 PolarHBondContact O-N 2.96Å; H141-D167 IonicContact CD2-OD2 2.66Å; H141-D167 IonicContact NE2-OD1 3.44Å; H141-D167 IonicContact NE2-OD2 3.51Å; H141-I169 HydrophobicContact CB-CD1 4.2Å; H141-I169 HydrophobicContact CB-CG2 3.68Å; H141-I169 VanDerWaalsContact ND1-CG2 3.31Å; H141-I169 WeakPolarHBondContact ND1-CG2 3.08Å
142Y91.6Very high81Confident46 Ų4665.5 Ų65.518%0.1832%0.317CS..EExtended strand (participates in β ladder)trans-110.5123.7-177.9-77.6-124.3000108I129 Y130 P132 T140 L151 I156I129-Y142 WeakPolarHBondContact CA-O 3.36Å; Y130-Y142 PolarHBondContact N-O 3.42Å; Y130-Y142 VanDerWaalsContact N-O 3.1Å; Y130-Y142 PolarHBondContact O-N 2.96Å; P132-Y142 HydrophobicContact CG-CD1 4.33Å; P132-Y142 HydrophobicContact CG-CD2 3.37Å; P132-Y142 HydrophobicContact CG-CE1 4.27Å; P132-Y142 HydrophobicContact CG-CE2 3.3Å; P132-Y142 HydrophobicContact CG-CG 3.93Å; T140-Y142 HydrophobicContact CG2-CD2 4.28Å; T140-Y142 HydrophobicContact CG2-CE2 3.76Å; Y142-L151 HydrophobicContact CD1-CD1 3.84Å; Y142-L151 HydrophobicContact CD1-CD2 4.46Å; Y142-L151 HydrophobicContact CG-CD1 4.38Å; Y142-I156 HydrophobicContact CD1-CG1 4.28Å; Y142-I156 HydrophobicContact CE1-CD1 4.02Å; Y142-I156 HydrophobicContact CE1-CG1 4.07Å; Y142-I156 HydrophobicContact CE2-CG1 4.49Å; Y142-I156 HydrophobicContact CE2-CG2 4.22Å
143I92.8Very high81.6Confident0 Ų070 Ų700%034%0.335CS..EExtended strand (participates in β ladder)trans-102.4108.7175.4-52.5178.6000107.9H127 C128 I129 A152 G155 Q157 I169 V179 I192 V204H127-I143 HydrophobicContact CB-CG2 4.19Å; C128-I143 WeakPolarHBondContact O-CA 3.37Å; I129-I143 HydrophobicContact CG1-CG1 4.19Å; I143-A152 WeakPolarHBondContact O-CB 3.47Å; I143-A152 PolarHBondContact O-N 2.82Å; I143-G155 PolarHBondContact N-O 2.57Å; I143-Q157 HydrophobicContact CD1-CG 3.84Å; I143-Q157 HydrophobicContact CG1-CG 4.48Å; I143-I169 HydrophobicContact CD1-CD1 4.34Å; I143-V179 HydrophobicContact CD1-CG1 4.34Å; I143-V179 HydrophobicContact CD1-CG2 4.41Å; I143-I192 HydrophobicContact CG2-CD1 4.1Å; I143-V204 HydrophobicContact CB-CG2 4.38Å; I143-V204 HydrophobicContact CD1-CG1 4.18Å; I143-V204 HydrophobicContact CD1-CG2 4.12Å; I143-V204 HydrophobicContact CG2-CG2 4.26Å
144C90.1Very high82.6Confident4 Ų471.4 Ų71.43%0.02734%0.339CS..EExtended strand (participates in β ladder)trans-117.7145.2-177.4-66.20000111.7H127 C128 Y130 T150H127-C144 CarbonylContact C-O 3.59Å; H127-C144 WeakPolarHBondContact CA-O 3.43Å; H127-C144 VanDerWaalsContact CB-O 3.26Å; H127-C144 WeakPolarHBondContact CB-O 3.33Å; H127-C144 VanDerWaalsContact CD2-C 3.44Å; H127-C144 PolarHBondContact CD2-O 2.85Å; C128-C144 PolarHBondContact N-O 2.87Å; C128-C144 PolarHBondContact O-N 2.89Å; Y130-C144 HydrophobicContact CE1-CB 4.46Å; C144-T150 CarbonylContact C-O 3.5Å; C144-T150 VanDerWaalsContact CA-O 3.29Å; C144-T150 WeakPolarHBondContact CA-O 3.15Å
145S88.1Confident83.6Confident10 Ų1066.7 Ų66.77%0.0732%0.317CS..EExtended strand (participates in β ladder)trans-66.6131.9171.1155.20000110H127 K147 D148 S149 T150H127-S145 PolarHBondContact CD2-N 2.88Å; S145-K147 VanDerWaalsContact C-N 3.27Å; S145-K147 WeakPolarHBondContact OG-CB 3.33Å; S145-K147 PolarHBondContact OG-N 2.94Å; S145-D148 VanDerWaalsContact CB-OD1 3.29Å; S145-D148 WeakPolarHBondContact CB-OD1 3.41Å; S145-D148 PolarHBondContact OG-OD1 3.23Å; S145-S149 WeakPolarHBondContact O-CA 3.49Å; S145-S149 PolarHBondContact O-N 2.66Å; S145-T150 PolarHBondContact N-O 2.95Å
146L84.2Confident85.1Confident34 Ų3461 Ų6118%0.17830%0.296CS..THydrogen-bonded Turntrans-75.2-17.7174.1-78.9-178.4000113.1L61 F111 I121 W126 C128 D148L61-L146 HydrophobicContact CD1-CD1 4.47Å; L61-L146 HydrophobicContact CD1-CD2 3.8Å; F111-L146 HydrophobicContact CB-CD2 4.27Å; F111-L146 HydrophobicContact CD1-CD2 3.86Å; F111-L146 HydrophobicContact CD2-CD2 3.89Å; F111-L146 HydrophobicContact CE1-CD2 4.07Å; F111-L146 HydrophobicContact CE2-CD2 4.11Å; F111-L146 HydrophobicContact CG-CD2 3.75Å; F111-L146 HydrophobicContact CZ-CD2 4.22Å; I121-L146 HydrophobicContact CG1-CD1 4.47Å; I121-L146 HydrophobicContact CG2-CD1 3.59Å; W126-L146 HydrophobicContact CB-CB 4.28Å; W126-L146 HydrophobicContact CB-CD1 4.19Å; W126-L146 PolarHBondContact O-N 2.7Å; W126-L146 VanDerWaalsContact O-N 3.09Å; C128-L146 HydrophobicContact CB-CD2 3.91Å; C128-L146 HydrophobicContact CB-CG 4.31Å; L146-D148 PolarHBondContact O-N 2.85Å
147K82.3Confident86.4Confident155 Ų15554 Ų5467%0.67427%0.266SS*.THydrogen-bonded Turntrans-64.5-40.9-178.9178-174.5172-170.90112.1S145S145-K147 VanDerWaalsContact C-N 3.27Å; S145-K147 WeakPolarHBondContact OG-CB 3.33Å; S145-K147 PolarHBondContact OG-N 2.94Å
148D82.3Confident87.6Confident79 Ų7955.2 Ų55.242%0.42228%0.275SS..THydrogen-bonded Turntrans-143.47.3-167.657.33.3000113.2S145 L146 T150S145-D148 VanDerWaalsContact CB-OD1 3.29Å; S145-D148 WeakPolarHBondContact CB-OD1 3.41Å; S145-D148 PolarHBondContact OG-OD1 3.23Å; L146-D148 PolarHBondContact O-N 2.85Å; D148-T150 HydrophobicContact CB-CG2 4.09Å; D148-T150 VanDerWaalsContact CG-OG1 3.24Å; D148-T150 PolarHBondContact O-N 2.89Å; D148-T150 VanDerWaalsContact O-N 3.14Å; D148-T150 WeakPolarHBondContact OD1-CB 3.47Å; D148-T150 WeakPolarHBondContact OD1-CG2 3.14Å; D148-T150 PolarHBondContact OD1-N 2.51Å; D148-T150 VanDerWaalsContact OD1-N 3.14Å; D148-T150 PolarHBondContact OD1-OG1 2.86Å; D148-T150 WeakPolarHBondContact OD2-CG2 3.25Å; D148-T150 PolarHBondContact OD2-OG1 2.93Å
149S82.8Confident88.5Confident72 Ų7247.1 Ų47.150%0.50325%0.245SC..  trans61.314.7-177-43.90000114.2F111 S145F111-S149 WeakPolarHBondContact CD2-OG 3.49Å; F111-S149 WeakPolarHBondContact CE2-OG 3.27Å; S145-S149 WeakPolarHBondContact O-CA 3.49Å; S145-S149 PolarHBondContact O-N 2.66Å
150T89.1Confident88.5Confident50 Ų5053.9 Ų53.931%0.30728%0.279SS..PPolyproline II helixtrans-74.7136.6-179.260.60000110.5C144 S145 D148 A152C144-T150 CarbonylContact C-O 3.5Å; C144-T150 VanDerWaalsContact CA-O 3.29Å; C144-T150 WeakPolarHBondContact CA-O 3.15Å; S145-T150 PolarHBondContact N-O 2.95Å; D148-T150 HydrophobicContact CB-CG2 4.09Å; D148-T150 VanDerWaalsContact CG-OG1 3.24Å; D148-T150 PolarHBondContact O-N 2.89Å; D148-T150 VanDerWaalsContact O-N 3.14Å; D148-T150 WeakPolarHBondContact OD1-CB 3.47Å; D148-T150 WeakPolarHBondContact OD1-CG2 3.14Å; D148-T150 PolarHBondContact OD1-N 2.51Å; D148-T150 VanDerWaalsContact OD1-N 3.14Å; D148-T150 PolarHBondContact OD1-OG1 2.86Å; D148-T150 WeakPolarHBondContact OD2-CG2 3.25Å; D148-T150 PolarHBondContact OD2-OG1 2.93Å; T150-A152 PolarHBondContact O-N 2.93Å
151L91.4Very high87.9Confident69 Ų6954.7 Ų54.736%0.36128%0.284SS..EExtended strand (participates in β ladder)trans-67.3127.6172178.165.7000108.7Y142 I156Y142-L151 HydrophobicContact CD1-CD1 3.84Å; Y142-L151 HydrophobicContact CD1-CD2 4.46Å; Y142-L151 HydrophobicContact CG-CD1 4.38Å; L151-I156 HydrophobicContact CD1-CG1 4.11Å; L151-I156 HydrophobicContact CD2-CD1 3.83Å; L151-I156 HydrophobicContact CD2-CG1 3.73Å; L151-I156 HydrophobicContact CG-CG1 4.45Å
152A92.8Very high87.2Confident4 Ų456.4 Ų56.43%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-62.1146.817500000110.1I143 T150 N154 G155 S202 V204I143-A152 WeakPolarHBondContact O-CB 3.47Å; I143-A152 PolarHBondContact O-N 2.82Å; T150-A152 PolarHBondContact O-N 2.93Å; A152-N154 PolarHBondContact O-N 3.01Å; A152-G155 WeakPolarHBondContact O-CA 3.4Å; A152-G155 PolarHBondContact O-N 2.96Å; A152-S202 CarbonylContact C-O 3.54Å; A152-S202 VanDerWaalsContact CA-O 3.23Å; A152-S202 WeakPolarHBondContact CA-O 3.47Å; A152-S202 WeakPolarHBondContact CB-O 3.15Å; A152-V204 HydrophobicContact CB-CG2 3.8Å
153K93.5Very high86.5Confident113 Ų11355.6 Ų55.649%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-60.4130.5169.7-175.6-178.4172.4-144.80108.4G155 S202 E203 V204K153-G155 PolarHBondContact O-N 3.44Å; K153-S202 PolarHBondContact N-O 2.88Å; K153-E203 HydrophobicContact CB-CB 4.18Å; K153-E203 HydrophobicContact CB-CG 4.14Å; K153-E203 HydrophobicContact CD-CG 4.14Å; K153-E203 WeakPolarHBondContact CD-OE1 3.29Å; K153-E203 VanDerWaalsContact CE-OE1 3.25Å; K153-E203 WeakPolarHBondContact CE-OE1 3.49Å; K153-E203 HydrophobicContact CG-CG 4.26Å; K153-E203 IonicContact NZ-OE1 2.71Å; K153-E203 PolarHBondContact NZ-OE1 2.88Å; K153-E203 IonicContact NZ-OE2 3.64Å; K153-E203 WeakPolarHBondContact O-CA 3.37Å; K153-V204 PolarHBondContact O-N 2.65Å
154N93.2Very high85.6Confident88 Ų8861.9 Ų61.947%0.47133%0.332SS..EExtended strand (participates in β ladder)trans56.621.8-168-45.7-35.4000113.8A152 I156 Q157 E203 V204A152-N154 PolarHBondContact O-N 3.01Å; N154-I156 VanDerWaalsContact C-N 3.25Å; N154-I156 PolarHBondContact O-N 2.95Å; N154-Q157 PolarHBondContact O-NE2 2.87Å; N154-E203 PolarHBondContact ND2-OE1 2.92Å; N154-V204 WeakPolarHBondContact CB-O 3.26Å; N154-V204 PolarHBondContact ND2-O 2.89Å
155G91.4Very high84.9Confident1 Ų168.4 Ų68.41%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-77.6-6179.400000114.4I143 A152 K153 Q157I143-G155 PolarHBondContact N-O 2.57Å; A152-G155 WeakPolarHBondContact O-CA 3.4Å; A152-G155 PolarHBondContact O-N 2.96Å; K153-G155 PolarHBondContact O-N 3.44Å; G155-Q157 PolarHBondContact O-N 3.49Å
156I93.1Very high84.3Confident83 Ų8370.7 Ų70.743%0.42638%0.378SS..EExtended strand (participates in β ladder)trans-86.6106.8170.9-56.6178.5000107.5T140 H141 Y142 L151 N154T140-I156 HydrophobicContact CG2-CG2 3.52Å; H141-I156 CarbonylContact O-C 3.58Å; H141-I156 WeakPolarHBondContact O-CA 3.5Å; Y142-I156 HydrophobicContact CD1-CG1 4.28Å; Y142-I156 HydrophobicContact CE1-CD1 4.02Å; Y142-I156 HydrophobicContact CE1-CG1 4.07Å; Y142-I156 HydrophobicContact CE2-CG1 4.49Å; Y142-I156 HydrophobicContact CE2-CG2 4.22Å; L151-I156 HydrophobicContact CD1-CG1 4.11Å; L151-I156 HydrophobicContact CD2-CD1 3.83Å; L151-I156 HydrophobicContact CD2-CG1 3.73Å; L151-I156 HydrophobicContact CG-CG1 4.45Å; N154-I156 VanDerWaalsContact C-N 3.25Å; N154-I156 PolarHBondContact O-N 2.95Å
157Q92.7Very high84.5Confident30 Ų3069.8 Ų69.814%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-104.4129.4-179.9-65-60.2-40.800109.7T140 H141 I143 N154 G155 I169 L190T140-Q157 CarbonylContact C-O 3.45Å; T140-Q157 WeakPolarHBondContact CA-O 3.43Å; H141-Q157 HydrophobicContact CB-CB 4.43Å; H141-Q157 PolarHBondContact N-O 2.75Å; H141-Q157 PolarHBondContact O-N 2.96Å; I143-Q157 HydrophobicContact CD1-CG 3.84Å; I143-Q157 HydrophobicContact CG1-CG 4.48Å; N154-Q157 PolarHBondContact O-NE2 2.87Å; G155-Q157 PolarHBondContact O-N 3.49Å; Q157-I169 HydrophobicContact CB-CD1 3.9Å; Q157-I169 HydrophobicContact CG-CD1 4.08Å; Q157-L190 VanDerWaalsContact CD-CD1 3.45Å; Q157-L190 HydrophobicContact CG-CD1 3.79Å
158N88.4Confident84.8Confident91 Ų9166.1 Ų66.149%0.48736%0.364SS..EExtended strand (participates in β ladder)trans-142.9120.1175.9178.3-38.4000107.2G139 T140G139-N158 WeakPolarHBondContact O-CA 3.2Å; T140-N158 HydrophobicContact CG2-CB 4.49Å; T140-N158 PolarHBondContact OG1-ND2 3.09Å; T140-N158 VanDerWaalsContact OG1-ND2 3.17Å
159M84.5Confident85.3Confident17 Ų1762.6 Ų62.68%0.08435%0.345CS..  trans-90.1109.7171.9-160.8154.9-56.700108.5C161 D167 H181 G183M159-C161 PolarHBondContact O-N 2.87Å; M159-C161 PolarHBondContact O-SG 3.1Å; M159-D167 HydrophobicContact CB-CB 4.02Å; M159-D167 WeakPolarHBondContact CB-OD2 3.36Å; M159-H181 HydrophobicContact CE-CB 4.02Å; M159-H181 VanDerWaalsContact CE-CG 3.46Å; M159-H181 WeakPolarHBondContact CE-O 3.26Å; M159-G183 WeakPolarHBondContact SD-CA 3.47Å; M159-G183 PolarHBondContact SD-N 2.96Å
160N75.9Confident85.8Confident154 Ų15461.3 Ų61.382%0.82433%0.33SS*.  trans-70.881.5178.2-17636.2000110.2
161C74.8Confident86Confident26 Ų2659.9 Ų59.918%0.17632%0.32CS..  trans-125.6144.6177.360.10000111.1M159 P184 D238M159-C161 PolarHBondContact O-N 2.87Å; M159-C161 PolarHBondContact O-SG 3.1Å; C161-P184 HydrophobicContact CB-CG 3.96Å; C161-D238 WeakPolarHBondContact CA-OD2 3.36Å; C161-D238 HydrophobicContact CB-CB 4.48Å
162C76.3Confident86.1Confident58 Ų5856.9 Ų56.939%0.39230%0.304SS..  trans-106.372175.3-72.10000109L237 D238C162-L237 CarbonylContact O-C 3.54Å; C162-L237 VanDerWaalsContact O-CA 3.29Å; C162-L237 WeakPolarHBondContact O-CA 3.4Å; C162-L237 VanDerWaalsContact O-CD2 3.3Å; C162-L237 WeakPolarHBondContact O-CD2 3.16Å; C162-D238 PolarHBondContact N-OD2 3.36Å; C162-D238 PolarHBondContact O-N 2.81Å
163S76Confident85.9Confident29 Ų2960.8 Ų60.820%0.20333%0.329CS..  trans-114.4162.1178.647.90000111.8E165 D239S163-E165 WeakPolarHBondContact CB-O 3.35Å; S163-E165 PolarHBondContact OG-O 2.94Å; S163-D239 WeakPolarHBondContact CA-OD1 3.44Å; S163-D239 WeakPolarHBondContact CB-OD2 3.41Å
164L75Confident85.6Confident132 Ų13257.6 Ų57.669%0.69132%0.324SS*.SBendtrans-71.9-42.2170.3-63.3172.7000110.6L237 D239L164-L237 HydrophobicContact CD1-CD1 4.2Å; L164-L237 HydrophobicContact CD2-CD1 3.91Å; L164-L237 HydrophobicContact CG-CD1 3.8Å; L164-D239 WeakPolarHBondContact CB-OD2 3.23Å; L164-D239 PolarHBondContact N-OD1 2.82Å; L164-D239 PolarHBondContact N-OD2 2.72Å
165E74.9Confident85Confident142 Ų14255.2 Ų55.266%0.66432%0.32SS*.SBendtrans-82145.4174.6-62.2-167.3159.800111S163 D239S163-E165 WeakPolarHBondContact CB-O 3.35Å; S163-E165 PolarHBondContact OG-O 2.94Å; E165-D239 PolarHBondContact N-OD2 2.77Å
166S76.1Confident84.6Confident58 Ų5857.6 Ų57.641%0.40634%0.336SS..PPolyproline II helixtrans-81.7148.2176.1-57.70000109.6R138R138-S166 PolarHBondContact NE-OG 2.8Å
167D87.3Confident84.4Confident14 Ų1453.7 Ų53.78%0.07532%0.317CS..PPolyproline II helixtrans-56.2149.8170.456.3-40.1000111.4G139 H141 M159 H181 I182G139-D167 WeakPolarHBondContact CA-OD1 3.06Å; H141-D167 IonicContact CD2-OD2 2.66Å; H141-D167 IonicContact NE2-OD1 3.44Å; H141-D167 IonicContact NE2-OD2 3.51Å; M159-D167 HydrophobicContact CB-CB 4.02Å; M159-D167 WeakPolarHBondContact CB-OD2 3.36Å; D167-H181 IonicContact OD2-CD2 3.47Å; D167-H181 IonicContact OD2-CE1 3.71Å; D167-H181 PolarHBondContact OD2-CE1 2.85Å; D167-H181 IonicContact OD2-NE2 2.92Å; D167-H181 PolarHBondContact OD2-NE2 3.16Å; D167-I182 WeakPolarHBondContact CA-O 3.2Å; D167-I182 WeakPolarHBondContact CB-O 3.33Å
168V89Confident84.4Confident79 Ų7952.6 Ų52.648%0.47931%0.311SS..EExtended strand (participates in β ladder)trans-117.6132-176.7-175.90000108.6F170 H181 I182V168-F170 HydrophobicContact CG1-CD1 4Å; V168-F170 HydrophobicContact CG1-CE1 4.33Å; V168-H181 CarbonylContact O-C 3.59Å; V168-H181 WeakPolarHBondContact O-CA 3.03Å; V168-H181 PolarHBondContact O-CD2 3.5Å; V168-I182 PolarHBondContact N-O 3.15Å; V168-I182 PolarHBondContact O-N 3.43Å
169I92.4Very high84.8Confident4 Ų448.2 Ų48.22%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-129.7138.3176-169.4171.7000109.8Q120 I129 H141 I143 Q157 V179 I180 H181Q120-I169 PolarHBondContact NE2-O 2.94Å; Q120-I169 PolarHBondContact OE1-O 2.88Å; I129-I169 HydrophobicContact CD1-CG1 4.28Å; I129-I169 HydrophobicContact CG2-CG2 3.72Å; H141-I169 HydrophobicContact CB-CD1 4.2Å; H141-I169 HydrophobicContact CB-CG2 3.68Å; H141-I169 VanDerWaalsContact ND1-CG2 3.31Å; H141-I169 WeakPolarHBondContact ND1-CG2 3.08Å; I143-I169 HydrophobicContact CD1-CD1 4.34Å; Q157-I169 HydrophobicContact CB-CD1 3.9Å; Q157-I169 HydrophobicContact CG-CD1 4.08Å; I169-V179 HydrophobicContact CD1-CG1 3.73Å; I169-V179 HydrophobicContact CG1-CG1 3.46Å; I169-V179 VanDerWaalsContact CG1-CG1 3.46Å; I169-I180 CarbonylContact C-O 3.58Å; I169-I180 VanDerWaalsContact CA-O 3.29Å; I169-I180 WeakPolarHBondContact CA-O 3.37Å; I169-H181 HydrophobicContact CB-CB 4.41Å; I169-H181 HydrophobicContact CD1-CB 4.09Å; I169-H181 HydrophobicContact CG1-CB 3.97Å
170F93.1Very high85.4Confident46 Ų4647.4 Ų47.420%0.20228%0.284CS..EExtended strand (participates in β ladder)trans-156.2159.2176.556-84.1000113.2V168 V179 I180 I182 L249V168-F170 HydrophobicContact CG1-CD1 4Å; V168-F170 HydrophobicContact CG1-CE1 4.33Å; F170-V179 CarbonylContact O-C 3.53Å; F170-V179 WeakPolarHBondContact O-CA 3.05Å; F170-V179 WeakPolarHBondContact O-CG1 3.37Å; F170-I180 HydrophobicContact CE1-CB 4.39Å; F170-I180 HydrophobicContact CE1-CG2 4.49Å; F170-I180 HydrophobicContact CE2-CB 4.16Å; F170-I180 HydrophobicContact CE2-CD1 3.92Å; F170-I180 HydrophobicContact CE2-CG1 4.39Å; F170-I180 HydrophobicContact CZ-CB 4.08Å; F170-I180 HydrophobicContact CZ-CD1 4.19Å; F170-I180 HydrophobicContact CZ-CG2 4.23Å; F170-I180 PolarHBondContact N-O 3.15Å; F170-I180 PolarHBondContact O-N 2.81Å; F170-I182 HydrophobicContact CE1-CD1 3.68Å; F170-I182 HydrophobicContact CE1-CG1 4.31Å; F170-I182 HydrophobicContact CZ-CD1 4.02Å; F170-L249 HydrophobicContact CZ-CD2 4.13Å
171F93.8Very high86.3Confident20 Ų2040.1 Ų40.19%0.08825%0.245CC..EExtended strand (participates in β ladder)trans-66.2135.2172.4-69.4-72000110.5Q120 G122 H127 I129 V179 I192Q120-F171 HydrophobicContact CB-CD2 4.3Å; Q120-F171 HydrophobicContact CB-CE2 4.39Å; G122-F171 VanDerWaalsContact N-CD2 3.34Å; G122-F171 WeakPolarHBondContact O-CE1 3.16Å; G122-F171 WeakPolarHBondContact O-CZ 3.5Å; H127-F171 VanDerWaalsContact C-CZ 3.47Å; H127-F171 HydrophobicContact CB-CE1 3.93Å; H127-F171 HydrophobicContact CB-CZ 3.71Å; H127-F171 WeakPolarHBondContact O-CE2 3.28Å; H127-F171 VanDerWaalsContact O-CZ 3.25Å; H127-F171 WeakPolarHBondContact O-CZ 3.39Å; I129-F171 HydrophobicContact CB-CE2 4.38Å; I129-F171 HydrophobicContact CD1-CD1 4.2Å; I129-F171 HydrophobicContact CD1-CD2 3.96Å; I129-F171 HydrophobicContact CD1-CE1 4.04Å; I129-F171 HydrophobicContact CD1-CE2 3.81Å; I129-F171 HydrophobicContact CD1-CG 4.16Å; I129-F171 HydrophobicContact CD1-CZ 3.85Å; I129-F171 HydrophobicContact CG1-CD2 4.2Å; I129-F171 HydrophobicContact CG1-CE1 4.11Å; I129-F171 HydrophobicContact CG1-CE2 3.54Å; I129-F171 HydrophobicContact CG1-CZ 3.49Å; I129-F171 VanDerWaalsContact CG1-CZ 3.49Å; F171-V179 HydrophobicContact CD1-CG2 3.72Å; F171-V179 HydrophobicContact CE1-CG2 3.92Å; F171-I192 HydrophobicContact CE1-CD1 3.85Å
172H94.1Very high87.1Confident5 Ų540.3 Ų40.32%0.02324%0.244CC..  trans-57.4130.2177.4-172.9-62.2000110.4A174 G175 R178 I180 Y251 N279H172-A174 VanDerWaalsContact C-N 3.29Å; H172-A174 VanDerWaalsContact CE1-CB 3.47Å; H172-A174 WeakPolarHBondContact CE1-CB 3.42Å; H172-A174 VanDerWaalsContact ND1-CB 3.29Å; H172-A174 WeakPolarHBondContact ND1-CB 3.43Å; H172-A174 PolarHBondContact ND1-N 3.21Å; H172-A174 PolarHBondContact O-N 3.32Å; H172-G175 PolarHBondContact O-N 3.39Å; H172-G175 VanDerWaalsContact O-N 3.12Å; H172-R178 HydrophobicContact CB-CB 3.73Å; H172-R178 VanDerWaalsContact CB-O 3.32Å; H172-R178 WeakPolarHBondContact CB-O 3.15Å; H172-R178 PolarHBondContact N-O 2.81Å; H172-I180 HydrophobicContact CB-CG1 4.26Å; H172-Y251 AromaticContact CE1-CD1 3.92Å; H172-Y251 AromaticContact CE1-CD2 3.73Å; H172-Y251 AromaticContact CE1-CE1 3.93Å; H172-Y251 AromaticContact CE1-CE2 3.78Å; H172-Y251 AromaticContact CE1-CG 3.79Å; H172-Y251 AromaticContact CE1-CZ 3.86Å; H172-N279 PolarHBondContact CE1-ND2 2.67Å; H172-N279 PolarHBondContact NE2-ND2 3.44Å; H172-N279 PolarHBondContact NE2-OD1 2.84Å
173P89.3Confident87.9Confident86 Ų8637.8 Ų37.856%0.55823%0.228SC*.THydrogen-bonded Turntrans-59.3-33-173.3-26.134.2000114.9G175 Y251P173-G175 PolarHBondContact O-N 2.7Å; P173-Y251 HydrophobicContact CB-CD1 3.92Å; P173-Y251 HydrophobicContact CG-CD1 4.32Å
174A87.1Confident88.4Confident46 Ų4636.9 Ų36.938%0.3822%0.221SC..THydrogen-bonded Turntrans-58.9-3.3174.200000116.5H172 S176 Y251H172-A174 VanDerWaalsContact C-N 3.29Å; H172-A174 VanDerWaalsContact CE1-CB 3.47Å; H172-A174 WeakPolarHBondContact CE1-CB 3.42Å; H172-A174 VanDerWaalsContact ND1-CB 3.29Å; H172-A174 WeakPolarHBondContact ND1-CB 3.43Å; H172-A174 PolarHBondContact ND1-N 3.21Å; H172-A174 PolarHBondContact O-N 3.32Å; A174-S176 PolarHBondContact O-N 2.7Å; A174-S176 VanDerWaalsContact O-N 3.16Å; A174-Y251 HydrophobicContact CB-CE1 3.79Å
175G79.8Confident89.1Confident38 Ų3832.2 Ų32.239%0.39220%0.197SC..  trans69.314.117700000114.9H172 P173 G177H172-G175 PolarHBondContact O-N 3.39Å; H172-G175 VanDerWaalsContact O-N 3.12Å; P173-G175 PolarHBondContact O-N 2.7Å; G175-G177 VanDerWaalsContact C-N 3.26Å; G175-G177 PolarHBondContact O-N 2.77Å; G175-G177 VanDerWaalsContact O-N 3.16Å
176S82.2Confident90Very high51 Ų5126.9 Ų26.936%0.35717%0.174SC..SBendtrans-82.113.8-169.273.30000115.3A174 R178A174-S176 PolarHBondContact O-N 2.7Å; A174-S176 VanDerWaalsContact O-N 3.16Å; S176-R178 PolarHBondContact O-N 3.06Å; S176-R178 WeakPolarHBondContact OG-CG 3.39Å; S176-R178 PolarHBondContact OG-NE 2.96Å
177G88.9Confident90.9Very high1 Ų124.1 Ų24.11%0.0116%0.155CC..SBendtrans67.613.4-170.400000115F124 G175 I192F124-G177 VanDerWaalsContact N-CA 3.28Å; F124-G177 WeakPolarHBondContact O-CA 3.32Å; G175-G177 VanDerWaalsContact C-N 3.26Å; G175-G177 PolarHBondContact O-N 2.77Å; G175-G177 VanDerWaalsContact O-N 3.16Å; G177-I192 WeakPolarHBondContact O-CB 3.38Å; G177-I192 WeakPolarHBondContact O-CG1 3.24Å; G177-I192 PolarHBondContact O-N 2.89Å
178R94.6Very high91.4Very high7 Ų724.8 Ų24.83%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-90.9155172.7-69.2-178.7-64.8170.33.8111.2H172 S176 V189 L190 K191 D207 N279H172-R178 HydrophobicContact CB-CB 3.73Å; H172-R178 VanDerWaalsContact CB-O 3.32Å; H172-R178 WeakPolarHBondContact CB-O 3.15Å; H172-R178 PolarHBondContact N-O 2.81Å; S176-R178 PolarHBondContact O-N 3.06Å; S176-R178 WeakPolarHBondContact OG-CG 3.39Å; S176-R178 PolarHBondContact OG-NE 2.96Å; R178-V189 HydrophobicContact CB-CG1 4.37Å; R178-L190 CarbonylContact C-O 3.5Å; R178-L190 WeakPolarHBondContact CA-O 3.43Å; R178-L190 WeakPolarHBondContact CB-O 3.32Å; R178-K191 HydrophobicContact CG-CB 4.45Å; R178-K191 HydrophobicContact CG-CG 4.4Å; R178-D207 WeakPolarHBondContact CD-OD2 3.46Å; R178-N279 PolarHBondContact NH1-O 2.82Å; R178-N279 PolarHBondContact NH2-ND2 2.81Å; R178-N279 PolarHBondContact NH2-OD1 3.37Å
179V95.9Very high91.7Very high0 Ų021 Ų210%014%0.136CC..EExtended strand (participates in β ladder)trans-128.9132.9177.4176.30000107.3I129 I143 I169 F170 F171 L190 I192I129-V179 HydrophobicContact CD1-CG1 3.75Å; I129-V179 HydrophobicContact CD1-CG2 4.19Å; I143-V179 HydrophobicContact CD1-CG1 4.34Å; I143-V179 HydrophobicContact CD1-CG2 4.41Å; I169-V179 HydrophobicContact CD1-CG1 3.73Å; I169-V179 HydrophobicContact CG1-CG1 3.46Å; I169-V179 VanDerWaalsContact CG1-CG1 3.46Å; F170-V179 CarbonylContact O-C 3.53Å; F170-V179 WeakPolarHBondContact O-CA 3.05Å; F170-V179 WeakPolarHBondContact O-CG1 3.37Å; F171-V179 HydrophobicContact CD1-CG2 3.72Å; F171-V179 HydrophobicContact CE1-CG2 3.92Å; V179-L190 HydrophobicContact CB-CB 4.26Å; V179-L190 PolarHBondContact N-O 3.06Å; V179-L190 PolarHBondContact O-N 2.84Å; V179-I192 HydrophobicContact CG2-CD1 3.98Å; V179-I192 HydrophobicContact CG2-CG1 4.27Å
180I96Very high91.9Very high0 Ų021.1 Ų21.10%014%0.136CC..EExtended strand (participates in β ladder)trans-102.1125.5175.7-53.1-177.8000107.4I169 F170 H172 I182 I187 L249 L258I169-I180 CarbonylContact C-O 3.58Å; I169-I180 VanDerWaalsContact CA-O 3.29Å; I169-I180 WeakPolarHBondContact CA-O 3.37Å; F170-I180 HydrophobicContact CE1-CB 4.39Å; F170-I180 HydrophobicContact CE1-CG2 4.49Å; F170-I180 HydrophobicContact CE2-CB 4.16Å; F170-I180 HydrophobicContact CE2-CD1 3.92Å; F170-I180 HydrophobicContact CE2-CG1 4.39Å; F170-I180 HydrophobicContact CZ-CB 4.08Å; F170-I180 HydrophobicContact CZ-CD1 4.19Å; F170-I180 HydrophobicContact CZ-CG2 4.23Å; F170-I180 PolarHBondContact N-O 3.15Å; F170-I180 PolarHBondContact O-N 2.81Å; H172-I180 HydrophobicContact CB-CG1 4.26Å; I180-I182 HydrophobicContact CG2-CD1 4.04Å; I180-I182 HydrophobicContact CG2-CG1 3.67Å; I180-I187 HydrophobicContact CG2-CG2 3.91Å; I180-L249 HydrophobicContact CD1-CD2 3.89Å; I180-L249 HydrophobicContact CG2-CD1 4Å; I180-L258 HydrophobicContact CD1-CD2 4.47Å
181H95.2Very high92Very high1 Ų123.4 Ų23.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-120.4110.1176.4-169.8-171.7000108.9M159 D167 V168 I169 I187 N188M159-H181 HydrophobicContact CE-CB 4.02Å; M159-H181 VanDerWaalsContact CE-CG 3.46Å; M159-H181 WeakPolarHBondContact CE-O 3.26Å; D167-H181 IonicContact OD2-CD2 3.47Å; D167-H181 IonicContact OD2-CE1 3.71Å; D167-H181 PolarHBondContact OD2-CE1 2.85Å; D167-H181 IonicContact OD2-NE2 2.92Å; D167-H181 PolarHBondContact OD2-NE2 3.16Å; V168-H181 CarbonylContact O-C 3.59Å; V168-H181 WeakPolarHBondContact O-CA 3.03Å; V168-H181 PolarHBondContact O-CD2 3.5Å; I169-H181 HydrophobicContact CB-CB 4.41Å; I169-H181 HydrophobicContact CD1-CB 4.09Å; I169-H181 HydrophobicContact CG1-CB 3.97Å; H181-I187 CarbonylContact O-C 3.54Å; H181-I187 WeakPolarHBondContact O-CA 3.4Å; H181-N188 HydrophobicContact CB-CB 4.35Å; H181-N188 PolarHBondContact N-O 2.87Å; H181-N188 PolarHBondContact O-N 3.36Å
182I93.1Very high92Very high29 Ų2922.9 Ų22.915%0.14914%0.144CC..EExtended strand (participates in β ladder)trans-107.6123.1-171.4-52.7-178.5000108.7D167 V168 F170 I180 I187 L249D167-I182 WeakPolarHBondContact CA-O 3.2Å; D167-I182 WeakPolarHBondContact CB-O 3.33Å; V168-I182 PolarHBondContact N-O 3.15Å; V168-I182 PolarHBondContact O-N 3.43Å; F170-I182 HydrophobicContact CE1-CD1 3.68Å; F170-I182 HydrophobicContact CE1-CG1 4.31Å; F170-I182 HydrophobicContact CZ-CD1 4.02Å; I180-I182 HydrophobicContact CG2-CD1 4.04Å; I180-I182 HydrophobicContact CG2-CG1 3.67Å; I182-I187 HydrophobicContact CB-CG1 4.42Å; I182-I187 HydrophobicContact CG1-CG1 4.3Å; I182-I187 HydrophobicContact CG1-CG2 4.34Å; I182-I187 HydrophobicContact CG2-CG1 4.03Å; I182-L249 HydrophobicContact CD1-CB 3.7Å; I182-L249 HydrophobicContact CD1-CD1 3.99Å; I182-L249 HydrophobicContact CD1-CG 4.29Å
183G91.6Very high91.9Very high5 Ų526.5 Ų26.55%0.05216%0.162CC..  trans-119.4-176.8161.600000110.8M159 N185 T186M159-G183 WeakPolarHBondContact SD-CA 3.47Å; M159-G183 PolarHBondContact SD-N 2.96Å; G183-N185 VanDerWaalsContact C-N 3.31Å; G183-N185 PolarHBondContact O-N 2.85Å; G183-T186 PolarHBondContact N-O 3.25Å
184P88.1Confident91.7Very high11 Ų1124.7 Ų24.77%0.07115%0.152CC..SBendtrans-62.7-35.2-173.623.6-34.9000113.4C161 D238 D239 T245 F246C161-P184 HydrophobicContact CB-CG 3.96Å; P184-D238 HydrophobicContact CB-CB 4.24Å; P184-D238 WeakPolarHBondContact CB-O 3.29Å; P184-D238 HydrophobicContact CG-CB 3.54Å; P184-D239 HydrophobicContact CB-CB 4.21Å; P184-T245 HydrophobicContact CB-CG2 3.8Å; P184-T245 CarbonylContact O-C 3.58Å; P184-T245 VanDerWaalsContact O-CA 3.28Å; P184-T245 WeakPolarHBondContact O-CA 3.49Å; P184-T245 VanDerWaalsContact O-CG2 3.26Å; P184-T245 WeakPolarHBondContact O-CG2 3.43Å; P184-F246 PolarHBondContact O-N 3.33Å
185N89.3Confident91.4Very high34 Ų3429.1 Ų29.118%0.18217%0.165CC..SBendtrans-122.7-4.7-175.665.9-32000114.6G183 T211 T212 R214 F246G183-N185 VanDerWaalsContact C-N 3.31Å; G183-N185 PolarHBondContact O-N 2.85Å; N185-T211 VanDerWaalsContact O-CA 3.28Å; N185-T211 WeakPolarHBondContact O-CA 3.38Å; N185-T212 WeakPolarHBondContact CA-OG1 3.31Å; N185-T212 WeakPolarHBondContact CB-OG1 3.37Å; N185-T212 PolarHBondContact O-N 3.44Å; N185-R214 VanDerWaalsContact CB-NH2 3.35Å; N185-R214 VanDerWaalsContact CG-CZ 3.48Å; N185-R214 PolarHBondContact ND2-NE 3.4Å; N185-R214 PolarHBondContact ND2-NH1 2.91Å; N185-F246 VanDerWaalsContact C-CE2 3.48Å; N185-F246 WeakPolarHBondContact O-CE2 3.38Å
186T92.8Very high90.8Very high29 Ų2934.5 Ų34.518%0.17818%0.184CC..EExtended strand (participates in β ladder)trans-138.1132.3-175.7-55.20000109.3G183 N188 L210 T211G183-T186 PolarHBondContact N-O 3.25Å; T186-N188 VanDerWaalsContact CG2-OD1 3.23Å; T186-N188 WeakPolarHBondContact CG2-OD1 3.2Å; T186-L210 CarbonylContact C-O 3.54Å; T186-L210 VanDerWaalsContact CA-O 3.28Å; T186-L210 WeakPolarHBondContact CA-O 3.43Å; T186-T211 HydrophobicContact CG2-CG2 4.24Å
187I95.8Very high90.2Very high1 Ų138.7 Ų38.71%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-116.7116.8166.7-64.6161.5000106.9I180 H181 I182 S209 L210 F246 L249 I260I180-I187 HydrophobicContact CG2-CG2 3.91Å; H181-I187 CarbonylContact O-C 3.54Å; H181-I187 WeakPolarHBondContact O-CA 3.4Å; I182-I187 HydrophobicContact CB-CG1 4.42Å; I182-I187 HydrophobicContact CG1-CG1 4.3Å; I182-I187 HydrophobicContact CG1-CG2 4.34Å; I182-I187 HydrophobicContact CG2-CG1 4.03Å; I187-S209 CarbonylContact O-C 3.46Å; I187-S209 VanDerWaalsContact O-CA 3.28Å; I187-S209 WeakPolarHBondContact O-CA 3.29Å; I187-L210 HydrophobicContact CB-CB 4.23Å; I187-L210 HydrophobicContact CB-CD1 4.49Å; I187-L210 PolarHBondContact N-O 3.48Å; I187-L210 PolarHBondContact O-N 2.77Å; I187-F246 HydrophobicContact CB-CE2 4.46Å; I187-F246 HydrophobicContact CD1-CB 4.14Å; I187-F246 HydrophobicContact CD1-CD1 3.75Å; I187-F246 HydrophobicContact CD1-CD2 3.67Å; I187-F246 HydrophobicContact CD1-CE1 4Å; I187-F246 HydrophobicContact CD1-CE2 3.9Å; I187-F246 HydrophobicContact CD1-CG 3.59Å; I187-F246 HydrophobicContact CD1-CZ 4.07Å; I187-F246 HydrophobicContact CG1-CD2 3.62Å; I187-F246 HydrophobicContact CG1-CE2 3.85Å; I187-F246 HydrophobicContact CG1-CG 4.03Å; I187-F246 HydrophobicContact CG1-CZ 4.47Å; I187-L249 HydrophobicContact CD1-CD1 4.13Å; I187-L249 HydrophobicContact CG2-CD1 4.16Å; I187-I260 HydrophobicContact CD1-CD1 3.81Å; I187-I260 HydrophobicContact CD1-CG1 4.35Å; I187-I260 HydrophobicContact CD1-CG2 3.99Å
188N96.4Very high89.6Confident28 Ų2839.8 Ų39.815%0.1521%0.21CC..EExtended strand (participates in β ladder)trans-99.3124.1173.8-65.4-25.8000109.2H181 T186 L190 S209H181-N188 HydrophobicContact CB-CB 4.35Å; H181-N188 PolarHBondContact N-O 2.87Å; H181-N188 PolarHBondContact O-N 3.36Å; T186-N188 VanDerWaalsContact CG2-OD1 3.23Å; T186-N188 WeakPolarHBondContact CG2-OD1 3.2Å; N188-L190 HydrophobicContact CB-CD2 4.04Å; N188-L190 HydrophobicContact CB-CG 4.44Å; N188-S209 VanDerWaalsContact OD1-CB 3.28Å; N188-S209 WeakPolarHBondContact OD1-CB 3.46Å
189V96.8Very high88.7Confident0 Ų045.5 Ų45.50%025%0.248CC..EExtended strand (participates in β ladder)trans-97.2112.9166.4-179.70000107.2R178 D207 Y208R178-V189 HydrophobicContact CB-CG1 4.37Å; V189-D207 HydrophobicContact CG1-CB 4.41Å; V189-D207 WeakPolarHBondContact O-CA 3.46Å; V189-D207 VanDerWaalsContact O-CB 3.28Å; V189-D207 WeakPolarHBondContact O-CB 3.4Å; V189-D207 PolarHBondContact O-N 2.74Å; V189-Y208 HydrophobicContact CB-CD1 4.19Å; V189-Y208 HydrophobicContact CB-CD2 4.13Å; V189-Y208 HydrophobicContact CB-CE1 3.89Å; V189-Y208 HydrophobicContact CB-CE2 3.82Å; V189-Y208 HydrophobicContact CB-CG 4.31Å; V189-Y208 HydrophobicContact CG1-CD1 4.44Å; V189-Y208 HydrophobicContact CG1-CE1 3.9Å; V189-Y208 HydrophobicContact CG2-CD2 4.09Å; V189-Y208 HydrophobicContact CG2-CE1 4.16Å; V189-Y208 HydrophobicContact CG2-CE2 3.39Å; V189-Y208 VanDerWaalsContact CG2-CZ 3.45Å; V189-Y208 PolarHBondContact N-O 2.83Å; V189-Y208 PolarHBondContact O-N 3.49Å
190L96.4Very high88.1Confident6 Ų651.3 Ų51.33%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-102.4153.1-178.4-49.4174.2000109.5Q157 R178 V179 N188 V204 L205 E206Q157-L190 VanDerWaalsContact CD-CD1 3.45Å; Q157-L190 HydrophobicContact CG-CD1 3.79Å; R178-L190 CarbonylContact C-O 3.5Å; R178-L190 WeakPolarHBondContact CA-O 3.43Å; R178-L190 WeakPolarHBondContact CB-O 3.32Å; V179-L190 HydrophobicContact CB-CB 4.26Å; V179-L190 PolarHBondContact N-O 3.06Å; V179-L190 PolarHBondContact O-N 2.84Å; N188-L190 HydrophobicContact CB-CD2 4.04Å; N188-L190 HydrophobicContact CB-CG 4.44Å; L190-V204 HydrophobicContact CB-CG1 3.84Å; L190-V204 HydrophobicContact CD1-CG1 3.95Å; L190-V204 HydrophobicContact CG-CG1 4.41Å; L190-L205 CarbonylContact C-O 3.53Å; L190-L205 VanDerWaalsContact CA-O 3.25Å; L190-L205 WeakPolarHBondContact CA-O 3.15Å; L190-E206 HydrophobicContact CD2-CB 4.26Å
191K95.1Very high87.6Confident93 Ų9354.6 Ų54.640%0.40430%0.299SS..EExtended strand (participates in β ladder)trans-124.1130.2177.6-170.4171.3-174169.20110.4R178 I193 L205 D207R178-K191 HydrophobicContact CG-CB 4.45Å; R178-K191 HydrophobicContact CG-CG 4.4Å; K191-I193 HydrophobicContact CG-CG1 4.45Å; K191-L205 PolarHBondContact N-O 2.92Å; K191-L205 PolarHBondContact O-N 3.19Å; K191-D207 HydrophobicContact CB-CB 4.31Å
192I94.3Very high87.5Confident9 Ų955 Ų555%0.04630%0.302CS..EExtended strand (participates in β ladder)trans-85.4114.9172.9-57.6175.3000107.8H127 I143 F171 G177 V179 V204H127-I192 HydrophobicContact CB-CD1 4.05Å; H127-I192 VanDerWaalsContact CE1-CG2 3.44Å; H127-I192 WeakPolarHBondContact CE1-CG2 3.42Å; I143-I192 HydrophobicContact CG2-CD1 4.1Å; F171-I192 HydrophobicContact CE1-CD1 3.85Å; G177-I192 WeakPolarHBondContact O-CB 3.38Å; G177-I192 WeakPolarHBondContact O-CG1 3.24Å; G177-I192 PolarHBondContact O-N 2.89Å; V179-I192 HydrophobicContact CG2-CD1 3.98Å; V179-I192 HydrophobicContact CG2-CG1 4.27Å; I192-V204 HydrophobicContact CG1-CG2 4.4Å
193I91.5Very high87.5Confident81 Ų8156.1 Ų56.142%0.41531%0.307SS..EExtended strand (participates in β ladder)trans-102.2125.8175.8-54.3-172.4000107.8K191 S202 E203 L205K191-I193 HydrophobicContact CG-CG1 4.45Å; I193-S202 CarbonylContact O-C 3.43Å; I193-S202 WeakPolarHBondContact O-CA 3.44Å; I193-E203 PolarHBondContact N-O 3.12Å; I193-E203 PolarHBondContact O-N 3.33Å; I193-L205 HydrophobicContact CD1-CD1 3.56Å; I193-L205 HydrophobicContact CD1-CG 4.18Å
194S85.4Confident87.7Confident48 Ų4856 Ų5634%0.33631%0.305SS..  trans-148.8135.4179.1-168.30000109S202S194-S202 WeakPolarHBondContact CB-OG 3.49Å; S194-S202 PolarHBondContact OG-OG 2.75Å; S194-S202 VanDerWaalsContact OG-OG 3.09Å
195E79.5Confident88Confident139 Ų13958.7 Ų58.765%0.6532%0.319SS*.  trans-88.2125.5172.6-73179.9177.700109.3N197 S198E195-N197 PolarHBondContact O-N 3.26Å; E195-S198 WeakPolarHBondContact O-CB 3.46Å; E195-S198 PolarHBondContact O-N 3.16Å; E195-S198 VanDerWaalsContact O-N 3.07Å
196L68.4Low88.3Confident152 Ų15262.6 Ų62.680%0.79634%0.336SS*.THydrogen-bonded Turntrans-59.4125.5179.5-163.474.3000109.8S198L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 3.32Å
197N69.3Low88.4Confident138 Ų13864.4 Ų64.474%0.73835%0.345SS*.THydrogen-bonded Turntrans67.213.4-178-52.2-46.4000116.2E195E195-N197 PolarHBondContact O-N 3.26Å
198S76.3Confident88.5Confident24 Ų2465.4 Ų65.417%0.16835%0.348CS..  trans-73.1144.2169.4-171.80000111E195 L196 L200E195-S198 WeakPolarHBondContact O-CB 3.46Å; E195-S198 PolarHBondContact O-N 3.16Å; E195-S198 VanDerWaalsContact O-N 3.07Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 3.32Å; S198-L200 PolarHBondContact OG-N 3Å
199P76.1Confident88.5Confident128 Ų12866.6 Ų66.683%0.83136%0.359SS*.SBendtrans-77.7-8.7169.433.2-35.5000112.3
200L83.1Confident88.4Confident122 Ų12267.3 Ų67.364%0.63936%0.363SS*.SBendtrans-75.6143.1178.5-64.8172.7000110.4S198S198-L200 PolarHBondContact OG-N 3Å
201P85.3Confident88.2Confident68 Ų6871.9 Ų71.944%0.44239%0.391SS..PPolyproline II helixtrans-63.9147.4174.428.2-33.9000110
202S92Very high87.9Confident9 Ų968.2 Ų68.26%0.06338%0.376CS..PPolyproline II helixtrans-55.7152.4169.5-50.50000110.6H127 A152 K153 I193 S194H127-S202 PolarHBondContact CE1-OG 2.85Å; H127-S202 WeakPolarHBondContact NE2-CB 3.46Å; H127-S202 PolarHBondContact NE2-OG 2.81Å; A152-S202 CarbonylContact C-O 3.54Å; A152-S202 VanDerWaalsContact CA-O 3.23Å; A152-S202 WeakPolarHBondContact CA-O 3.47Å; A152-S202 WeakPolarHBondContact CB-O 3.15Å; K153-S202 PolarHBondContact N-O 2.88Å; I193-S202 CarbonylContact O-C 3.43Å; I193-S202 WeakPolarHBondContact O-CA 3.44Å; S194-S202 WeakPolarHBondContact CB-OG 3.49Å; S194-S202 PolarHBondContact OG-OG 2.75Å; S194-S202 VanDerWaalsContact OG-OG 3.09Å
203E94.1Very high87.2Confident53 Ų5374.9 Ų74.925%0.24841%0.407CS..EExtended strand (participates in β ladder)trans-116.2138.2176.2-175.6166.5-149.300110.3K153 N154 I193 L205K153-E203 HydrophobicContact CB-CB 4.18Å; K153-E203 HydrophobicContact CB-CG 4.14Å; K153-E203 HydrophobicContact CD-CG 4.14Å; K153-E203 WeakPolarHBondContact CD-OE1 3.29Å; K153-E203 VanDerWaalsContact CE-OE1 3.25Å; K153-E203 WeakPolarHBondContact CE-OE1 3.49Å; K153-E203 HydrophobicContact CG-CG 4.26Å; K153-E203 IonicContact NZ-OE1 2.71Å; K153-E203 PolarHBondContact NZ-OE1 2.88Å; K153-E203 IonicContact NZ-OE2 3.64Å; K153-E203 WeakPolarHBondContact O-CA 3.37Å; N154-E203 PolarHBondContact ND2-OE1 2.92Å; I193-E203 PolarHBondContact N-O 3.12Å; I193-E203 PolarHBondContact O-N 3.33Å; E203-L205 HydrophobicContact CG-CD2 3.83Å; E203-L205 HydrophobicContact CG-CG 4.04Å
204V95.3Very high86.3Confident3 Ų374.3 Ų74.32%0.01840%0.4CS..EExtended strand (participates in β ladder)trans-101.3121.6173.2-1760000108.1I143 A152 K153 N154 L190 I192I143-V204 HydrophobicContact CB-CG2 4.38Å; I143-V204 HydrophobicContact CD1-CG1 4.18Å; I143-V204 HydrophobicContact CD1-CG2 4.12Å; I143-V204 HydrophobicContact CG2-CG2 4.26Å; A152-V204 HydrophobicContact CB-CG2 3.8Å; K153-V204 PolarHBondContact O-N 2.65Å; N154-V204 WeakPolarHBondContact CB-O 3.26Å; N154-V204 PolarHBondContact ND2-O 2.89Å; L190-V204 HydrophobicContact CB-CG1 3.84Å; L190-V204 HydrophobicContact CD1-CG1 3.95Å; L190-V204 HydrophobicContact CG-CG1 4.41Å; I192-V204 HydrophobicContact CG1-CG2 4.4Å
205L95.1Very high85.1Confident68 Ų6874.3 Ų74.336%0.35640%0.4SS..EExtended strand (participates in β ladder)trans-122.4152.3176.6-62.7-175.6000110.5L190 K191 I193 E203L190-L205 CarbonylContact C-O 3.53Å; L190-L205 VanDerWaalsContact CA-O 3.25Å; L190-L205 WeakPolarHBondContact CA-O 3.15Å; K191-L205 PolarHBondContact N-O 2.92Å; K191-L205 PolarHBondContact O-N 3.19Å; I193-L205 HydrophobicContact CD1-CD1 3.56Å; I193-L205 HydrophobicContact CD1-CG 4.18Å; E203-L205 HydrophobicContact CG-CD2 3.83Å; E203-L205 HydrophobicContact CG-CG 4.04Å
206E95.9Very high84Confident115 Ų11575.3 Ų75.354%0.53741%0.409SS..EExtended strand (participates in β ladder)trans-68.6130.2167.8-172.5175.9126.100109.4L190 S209L190-E206 HydrophobicContact CD2-CB 4.26Å; E206-S209 WeakPolarHBondContact OE1-CB 3.29Å; E206-S209 PolarHBondContact OE1-OG 3.09Å
207D95.2Very high83.2Confident68 Ų6874.3 Ų74.336%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-90.2-56.3172.4-155.19.2000108.7R178 V189 K191R178-D207 WeakPolarHBondContact CD-OD2 3.46Å; V189-D207 HydrophobicContact CG1-CB 4.41Å; V189-D207 WeakPolarHBondContact O-CA 3.46Å; V189-D207 VanDerWaalsContact O-CB 3.28Å; V189-D207 WeakPolarHBondContact O-CB 3.4Å; V189-D207 PolarHBondContact O-N 2.74Å; K191-D207 HydrophobicContact CB-CB 4.31Å
208Y96.5Very high82.2Confident21 Ų2178.5 Ų78.58%0.08241%0.41CS..EExtended strand (participates in β ladder)trans-153.9164.4168.961.8-96000111.2V189 L210 L258 N279 Q280 G282V189-Y208 HydrophobicContact CB-CD1 4.19Å; V189-Y208 HydrophobicContact CB-CD2 4.13Å; V189-Y208 HydrophobicContact CB-CE1 3.89Å; V189-Y208 HydrophobicContact CB-CE2 3.82Å; V189-Y208 HydrophobicContact CB-CG 4.31Å; V189-Y208 HydrophobicContact CG1-CD1 4.44Å; V189-Y208 HydrophobicContact CG1-CE1 3.9Å; V189-Y208 HydrophobicContact CG2-CD2 4.09Å; V189-Y208 HydrophobicContact CG2-CE1 4.16Å; V189-Y208 HydrophobicContact CG2-CE2 3.39Å; V189-Y208 VanDerWaalsContact CG2-CZ 3.45Å; V189-Y208 PolarHBondContact N-O 2.83Å; V189-Y208 PolarHBondContact O-N 3.49Å; Y208-L210 HydrophobicContact CD2-CD2 4.19Å; Y208-L210 HydrophobicContact CD2-CG 4.42Å; Y208-L210 HydrophobicContact CE2-CD2 4.29Å; Y208-L210 HydrophobicContact CE2-CG 4.34Å; Y208-L258 WeakPolarHBondContact OH-CD1 3.35Å; Y208-N279 VanDerWaalsContact CE1-O 3.28Å; Y208-N279 WeakPolarHBondContact CE1-O 3.44Å; Y208-N279 PolarHBondContact OH-O 3.43Å; Y208-Q280 WeakPolarHBondContact CE1-O 3.27Å; Y208-G282 VanDerWaalsContact CE2-CA 3.42Å
209S96.1Very high81Confident54 Ų5482 Ų8238%0.37843%0.432SS..EExtended strand (participates in β ladder)trans-130.8144.8174.352.60000111.8I187 N188 E206I187-S209 CarbonylContact O-C 3.46Å; I187-S209 VanDerWaalsContact O-CA 3.28Å; I187-S209 WeakPolarHBondContact O-CA 3.29Å; N188-S209 VanDerWaalsContact OD1-CB 3.28Å; N188-S209 WeakPolarHBondContact OD1-CB 3.46Å; E206-S209 WeakPolarHBondContact OE1-CB 3.29Å; E206-S209 PolarHBondContact OE1-OG 3.09Å
210L95.6Very high79.7Confident14 Ų1487 Ų877%0.07343%0.434CS..EExtended strand (participates in β ladder)trans-110138.4173.4-50.1178.2000108.1T186 I187 Y208 F246 I260 G282T186-L210 CarbonylContact C-O 3.54Å; T186-L210 VanDerWaalsContact CA-O 3.28Å; T186-L210 WeakPolarHBondContact CA-O 3.43Å; I187-L210 HydrophobicContact CB-CB 4.23Å; I187-L210 HydrophobicContact CB-CD1 4.49Å; I187-L210 PolarHBondContact N-O 3.48Å; I187-L210 PolarHBondContact O-N 2.77Å; Y208-L210 HydrophobicContact CD2-CD2 4.19Å; Y208-L210 HydrophobicContact CD2-CG 4.42Å; Y208-L210 HydrophobicContact CE2-CD2 4.29Å; Y208-L210 HydrophobicContact CE2-CG 4.34Å; L210-F246 HydrophobicContact CB-CZ 4.04Å; L210-I260 HydrophobicContact CD1-CD1 3.35Å; L210-G282 VanDerWaalsContact CD2-O 3.23Å; L210-G282 WeakPolarHBondContact CD2-O 3.39Å
211T93Very high78.3Confident103 Ų10386 Ų8663%0.63243%0.433SS*.EExtended strand (participates in β ladder)trans-133.1140.8179.650.60000111N185 T186N185-T211 VanDerWaalsContact O-CA 3.28Å; N185-T211 WeakPolarHBondContact O-CA 3.38Å; T186-T211 HydrophobicContact CG2-CG2 4.24Å
212T88.4Confident76.7Confident15 Ų1587.1 Ų87.19%0.09244%0.439CS..  trans-79.8152.6172.763.90000111.3N185 R214 E244 F246 V262N185-T212 WeakPolarHBondContact CA-OG1 3.31Å; N185-T212 WeakPolarHBondContact CB-OG1 3.37Å; N185-T212 PolarHBondContact O-N 3.44Å; T212-R214 PolarHBondContact O-N 2.63Å; T212-E244 VanDerWaalsContact CB-O 3.3Å; T212-E244 WeakPolarHBondContact CB-O 3.18Å; T212-E244 WeakPolarHBondContact CB-OE2 3.44Å; T212-E244 HydrophobicContact CG2-CG 4.06Å; T212-E244 PolarHBondContact OG1-O 3.01Å; T212-F246 HydrophobicContact CG2-CD1 3.87Å; T212-F246 HydrophobicContact CG2-CD2 3.83Å; T212-F246 HydrophobicContact CG2-CE1 3.64Å; T212-F246 HydrophobicContact CG2-CE2 3.61Å; T212-F246 HydrophobicContact CG2-CG 3.96Å; T212-F246 HydrophobicContact CG2-CZ 3.5Å; T212-V262 HydrophobicContact CG2-CG1 4.38Å
213H80.3Confident74.8Confident150 Ų15090.8 Ų90.869%0.69446%0.46SS*.  trans-80.8101176.3-178-80.2000110.3E244H213-E244 PolarHBondContact N-OE2 3.12Å
214R71.4Confident73.4Confident68 Ų6890.9 Ų90.926%0.25747%0.465SS..  trans-86.9125.8174-69.5-175.4168.2-169.8-5.4111.9N185 T212 N216 D238N185-R214 VanDerWaalsContact CB-NH2 3.35Å; N185-R214 VanDerWaalsContact CG-CZ 3.48Å; N185-R214 PolarHBondContact ND2-NE 3.4Å; N185-R214 PolarHBondContact ND2-NH1 2.91Å; T212-R214 PolarHBondContact O-N 2.63Å; R214-N216 PolarHBondContact O-N 2.94Å; R214-D238 IonicContact CZ-OD1 3.26Å; R214-D238 VanDerWaalsContact CZ-OD1 3.26Å; R214-D238 IonicContact NH1-OD1 2.67Å; R214-D238 PolarHBondContact NH1-OD1 2.8Å; R214-D238 VanDerWaalsContact NH2-CG 3.3Å; R214-D238 PolarHBondContact NH2-O 2.84Å; R214-D238 IonicContact NH2-OD1 2.98Å; R214-D238 PolarHBondContact NH2-OD1 2.87Å
215S61.1Low71.6Confident48 Ų4897.5 Ų97.534%0.33651%0.511SS..  trans-79.5113.5166.468.40000108.2L217S215-L217 PolarHBondContact O-N 2.99Å; S215-L217 WeakPolarHBondContact OG-CD1 3.33Å
216N55.4Low70.6Confident160 Ų16098.2 Ų98.286%0.85652%0.522SS*.  trans-71.852.6169.6-77-44.8000110.5R214 R218R214-N216 PolarHBondContact O-N 2.94Å; N216-R218 PolarHBondContact O-N 2.83Å
217L52.4Low69.1Low132 Ų13295.5 Ų95.569%0.69153%0.525SS*.  trans-68.9106171.5-81.2163.7000106.9S215S215-L217 PolarHBondContact O-N 2.99Å; S215-L217 WeakPolarHBondContact OG-CD1 3.33Å
218R48Very low67.7Low225 Ų225101.3 Ų101.385%0.84954%0.542SS*.  trans-44.3142.2172.5-64.2-177.9-174.8-174.91.4109.2N216 R220N216-R218 PolarHBondContact O-N 2.83Å; R218-R220 PolarHBondContact O-N 2.84Å
219P50.2Low66.2Low97 Ų97103.4 Ų103.463%0.6356%0.563SS**  trans-50.8115.5-177.818.6-30.8000109.2V221P219-V221 PolarHBondContact O-N 2.96Å; P219-V221 VanDerWaalsContact O-N 3.11Å
220R49.9Very low64.4Low234 Ų234104.2 Ų104.288%0.88357%0.566SS**  trans-55.5121.8172.2-98180164.1-177.9-3.1106.2R218 T222R218-R220 PolarHBondContact O-N 2.84Å; R220-T222 VanDerWaalsContact C-N 3.34Å; R220-T222 PolarHBondContact O-N 2.78Å
221V53.4Low62.3Low100 Ų100114.3 Ų114.361%0.60660%0.603SS**  trans-65.299.9172.8176.20000106.6P219 V223 A229P219-V221 PolarHBondContact O-N 2.96Å; P219-V221 VanDerWaalsContact O-N 3.11Å; V221-V223 HydrophobicContact CG1-CG2 4.28Å; V221-V223 PolarHBondContact O-N 3.14Å; V221-A229 HydrophobicContact CG1-CB 3.54Å
222T52.6Low60.3Low93 Ų93113.1 Ų113.157%0.57160%0.599SS**EExtended strand (participates in β ladder)trans-74121.1173-520000107.7R220 V230R220-T222 VanDerWaalsContact C-N 3.34Å; R220-T222 PolarHBondContact O-N 2.78Å; T222-V230 VanDerWaalsContact O-CB 3.32Å; T222-V230 WeakPolarHBondContact O-CB 3.29Å; T222-V230 WeakPolarHBondContact O-CG2 3.29Å; T222-V230 PolarHBondContact O-N 2.66Å
223V52Low58.3Low85 Ų85123.5 Ų123.552%0.51564%0.637SS.*EExtended strand (participates in β ladder)trans-98127.8177.4-1730000107.7V221 G227 R228V221-V223 HydrophobicContact CG1-CG2 4.28Å; V221-V223 PolarHBondContact O-N 3.14Å; V223-G227 VanDerWaalsContact CG1-CA 3.42Å; V223-R228 WeakPolarHBondContact CA-O 3.45Å
224T63.6Low57Low55 Ų55124.8 Ų124.834%0.33764%0.64SS.*PPolyproline II helixtrans-66.3162.917363.50000110.4S226 G227 R228 V230T224-S226 PolarHBondContact O-N 3.34Å; T224-S226 PolarHBondContact OG1-N 2.83Å; T224-S226 PolarHBondContact OG1-OG 3.21Å; T224-G227 PolarHBondContact O-N 2.79Å; T224-R228 PolarHBondContact N-O 3.14Å; T224-R228 PolarHBondContact OG1-N 2.95Å; T224-V230 HydrophobicContact CG2-CG2 3.68Å
225S57.6Low56.5Low142 Ų142129.4 Ų129.499%0.99367%0.665SS**THydrogen-bonded Turntrans-54.6-15.717352.70000114.3
226S75.1Confident56.9Low83 Ų83131.5 Ų131.558%0.5867%0.67SS**THydrogen-bonded Turntrans-93.88.8174.476.70000114.4T224 R228T224-S226 PolarHBondContact O-N 3.34Å; T224-S226 PolarHBondContact OG1-N 2.83Å; T224-S226 PolarHBondContact OG1-OG 3.21Å; S226-R228 VanDerWaalsContact C-N 3.34Å; S226-R228 PolarHBondContact O-N 3.27Å
227G63.7Low57.9Low59 Ų59127.2 Ų127.261%0.60865%0.646SS**SBendtrans77.79.3-179.600000115.4V223 T224V223-G227 VanDerWaalsContact CG1-CA 3.42Å; T224-G227 PolarHBondContact O-N 2.79Å
228R65.1Low59.2Low189 Ų189122.1 Ų122.171%0.71362%0.62SS**  trans-85.3123.8179-68.9178.6175.5-176.7-0.7110.1V223 T224 S226 V230V223-R228 WeakPolarHBondContact CA-O 3.45Å; T224-R228 PolarHBondContact N-O 3.14Å; T224-R228 PolarHBondContact OG1-N 2.95Å; S226-R228 VanDerWaalsContact C-N 3.34Å; S226-R228 PolarHBondContact O-N 3.27Å; R228-V230 PolarHBondContact O-N 2.87Å
229A65Low60.4Low65 Ų65112.2 Ų112.254%0.53758%0.583SS.*EExtended strand (participates in β ladder)trans-66.8115.2170.400000110.1V221 R231V221-A229 HydrophobicContact CG1-CB 3.54Å; A229-R231 PolarHBondContact O-N 3Å
230V59.5Low61.8Low72 Ų72109.4 Ų109.444%0.43656%0.563SS.*EExtended strand (participates in β ladder)trans-75.3103.4169.9-176.70000107T222 T224 R228 S232T222-V230 VanDerWaalsContact O-CB 3.32Å; T222-V230 WeakPolarHBondContact O-CB 3.29Å; T222-V230 WeakPolarHBondContact O-CG2 3.29Å; T222-V230 PolarHBondContact O-N 2.66Å; T224-V230 HydrophobicContact CG2-CG2 3.68Å; R228-V230 PolarHBondContact O-N 2.87Å; V230-S232 PolarHBondContact O-N 3.45Å; V230-S232 VanDerWaalsContact O-N 3.1Å
231R50.3Low63.1Low225 Ų225102 Ų10285%0.84955%0.545SS*.  trans-66.8107162-79.5-174.6173.8-178.3-1.7106.8A229 R233A229-R231 PolarHBondContact O-N 3Å; R231-R233 PolarHBondContact O-N 3.21Å; R231-R233 VanDerWaalsContact O-N 3.08Å
232S50.8Low64.2Low78 Ų78101 Ų10155%0.54554%0.54SS..  trans-51118.1167.2174.60000108.1V230 F234V230-S232 PolarHBondContact O-N 3.45Å; V230-S232 VanDerWaalsContact O-N 3.1Å; S232-F234 PolarHBondContact OG-O 3.37Å
233R46.9Very low65.5Low233 Ų23397.6 Ų97.688%0.87952%0.517SS*.  trans-94.8-5175.7-74.7-172.1178.4-174.7-0.4112.3R231R231-R233 PolarHBondContact O-N 3.21Å; R231-R233 VanDerWaalsContact O-N 3.08Å
234F53.5Low67.2Low177 Ų17795 Ų9578%0.77650%0.5SS*.SBendtrans-101.5127.3-178.3-65.3-77.8000108.6S232 Q236S232-F234 PolarHBondContact OG-O 3.37Å; F234-Q236 PolarHBondContact O-N 2.85Å
235Q60.1Low68.4Low166 Ų16692.5 Ų92.578%0.77648%0.484SS*.PPolyproline II helixtrans-56.7124.3163.6-140.2162.5-19.800105.8L237Q235-L237 PolarHBondContact O-N 3.31Å
236Q68.9Low70.1Confident92 Ų9286.3 Ų86.343%0.4344%0.439SS..PPolyproline II helixtrans-58.2133.2177.1-171.3171.85.800108F234 D240F234-Q236 PolarHBondContact O-N 2.85Å; Q236-D240 HydrophobicContact CG-CB 4.21Å; Q236-D240 VanDerWaalsContact CG-OD2 3.27Å; Q236-D240 WeakPolarHBondContact CG-OD2 3.47Å; Q236-D240 PolarHBondContact NE2-OD2 2.83Å
237L78.1Confident70.8Confident69 Ų6985 Ų8536%0.36142%0.422SS..PPolyproline II helixtrans-75152.6-178.5-64.5168.7000110C162 L164 Q235 D239 D240C162-L237 CarbonylContact O-C 3.54Å; C162-L237 VanDerWaalsContact O-CA 3.29Å; C162-L237 WeakPolarHBondContact O-CA 3.4Å; C162-L237 VanDerWaalsContact O-CD2 3.3Å; C162-L237 WeakPolarHBondContact O-CD2 3.16Å; L164-L237 HydrophobicContact CD1-CD1 4.2Å; L164-L237 HydrophobicContact CD2-CD1 3.91Å; L164-L237 HydrophobicContact CG-CD1 3.8Å; Q235-L237 PolarHBondContact O-N 3.31Å; L237-D239 VanDerWaalsContact C-N 3.27Å; L237-D239 VanDerWaalsContact CB-OD1 3.29Å; L237-D239 WeakPolarHBondContact CB-OD1 3.48Å; L237-D239 PolarHBondContact O-N 2.85Å; L237-D240 WeakPolarHBondContact O-CB 3.46Å; L237-D240 PolarHBondContact O-N 3.14Å
238D78.6Confident72.3Confident26 Ų2684.6 Ų84.614%0.13941%0.405CS..THydrogen-bonded Turntrans-74.3-21.6-177-79.2-30.5000113.3C161 C162 P184 R214C161-D238 WeakPolarHBondContact CA-OD2 3.36Å; C161-D238 HydrophobicContact CB-CB 4.48Å; C162-D238 PolarHBondContact N-OD2 3.36Å; C162-D238 PolarHBondContact O-N 2.81Å; P184-D238 HydrophobicContact CB-CB 4.24Å; P184-D238 WeakPolarHBondContact CB-O 3.29Å; P184-D238 HydrophobicContact CG-CB 3.54Å; R214-D238 IonicContact CZ-OD1 3.26Å; R214-D238 VanDerWaalsContact CZ-OD1 3.26Å; R214-D238 IonicContact NH1-OD1 2.67Å; R214-D238 PolarHBondContact NH1-OD1 2.8Å; R214-D238 VanDerWaalsContact NH2-CG 3.3Å; R214-D238 PolarHBondContact NH2-O 2.84Å; R214-D238 IonicContact NH2-OD1 2.98Å; R214-D238 PolarHBondContact NH2-OD1 2.87Å
239D74.4Confident73.7Confident16 Ų1676.9 Ų76.99%0.08638%0.378CS..THydrogen-bonded Turntrans-101.119.6176.659.2-15.1000112.7S163 L164 E165 P184 L237S163-D239 WeakPolarHBondContact CA-OD1 3.44Å; S163-D239 WeakPolarHBondContact CB-OD2 3.41Å; L164-D239 WeakPolarHBondContact CB-OD2 3.23Å; L164-D239 PolarHBondContact N-OD1 2.82Å; L164-D239 PolarHBondContact N-OD2 2.72Å; E165-D239 PolarHBondContact N-OD2 2.77Å; P184-D239 HydrophobicContact CB-CB 4.21Å; L237-D239 VanDerWaalsContact C-N 3.27Å; L237-D239 VanDerWaalsContact CB-OD1 3.29Å; L237-D239 WeakPolarHBondContact CB-OD1 3.48Å; L237-D239 PolarHBondContact O-N 2.85Å
240D79.3Confident75.2Confident39 Ų3977 Ų7721%0.20937%0.367CS..  trans-57.4126176.8-173.7-37.4000110.5Q236 L237 T242 Q243Q236-D240 HydrophobicContact CG-CB 4.21Å; Q236-D240 VanDerWaalsContact CG-OD2 3.27Å; Q236-D240 WeakPolarHBondContact CG-OD2 3.47Å; Q236-D240 PolarHBondContact NE2-OD2 2.83Å; L237-D240 WeakPolarHBondContact O-CB 3.46Å; L237-D240 PolarHBondContact O-N 3.14Å; D240-T242 PolarHBondContact O-N 2.74Å; D240-T242 VanDerWaalsContact OD1-CB 3.31Å; D240-T242 WeakPolarHBondContact OD1-CB 3.2Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.38Å; D240-T242 PolarHBondContact OD1-N 2.83Å; D240-T242 PolarHBondContact OD1-OG1 3.27Å; D240-T242 PolarHBondContact OD2-OG1 3.45Å; D240-Q243 HydrophobicContact CB-CG 4.33Å; D240-Q243 PolarHBondContact O-N 3.36Å
241P76.7Confident76.9Confident78 Ų7875.3 Ų75.351%0.50635%0.353SS..THydrogen-bonded Turntrans-57.3-17.5179.8-21.928.7000114.4Q243 G265 E296P241-Q243 VanDerWaalsContact C-N 3.29Å; P241-G265 WeakPolarHBondContact O-CA 3.13Å; P241-E296 WeakPolarHBondContact CG-OE2 3.48Å
242T76.6Confident79Confident79 Ų7964.7 Ų64.749%0.48531%0.314SS..THydrogen-bonded Turntrans-85.32.2176.5680000113.8D240 G265D240-T242 PolarHBondContact O-N 2.74Å; D240-T242 VanDerWaalsContact OD1-CB 3.31Å; D240-T242 WeakPolarHBondContact OD1-CB 3.2Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.38Å; D240-T242 PolarHBondContact OD1-N 2.83Å; D240-T242 PolarHBondContact OD1-OG1 3.27Å; D240-T242 PolarHBondContact OD2-OG1 3.45Å; T242-G265 CarbonylContact C-O 3.47Å; T242-G265 WeakPolarHBondContact CA-O 3.46Å; T242-G265 WeakPolarHBondContact O-CA 3.4Å
243Q80.3Confident81Confident21 Ų2166.5 Ų66.510%0.09832%0.317CS..SBendtrans-119.8157.2178.1-63.9-63.3-52.300111.4D240 P241 T245D240-Q243 HydrophobicContact CB-CG 4.33Å; D240-Q243 PolarHBondContact O-N 3.36Å; P241-Q243 VanDerWaalsContact C-N 3.29Å; Q243-T245 PolarHBondContact O-N 3.36Å; Q243-T245 PolarHBondContact O-OG1 2.7Å
244E87.2Confident83.2Confident32 Ų3260.2 Ų60.215%0.1530%0.298CS..EExtended strand (participates in β ladder)trans-70.4120.2174.9-167.1179.3-12800110.4T212 H213 V262 T263 H273T212-E244 VanDerWaalsContact CB-O 3.3Å; T212-E244 WeakPolarHBondContact CB-O 3.18Å; T212-E244 WeakPolarHBondContact CB-OE2 3.44Å; T212-E244 HydrophobicContact CG2-CG 4.06Å; T212-E244 PolarHBondContact OG1-O 3.01Å; H213-E244 PolarHBondContact N-OE2 3.12Å; E244-V262 HydrophobicContact CG-CG1 3.38Å; E244-T263 WeakPolarHBondContact CA-O 3.41Å; E244-T263 VanDerWaalsContact CG-O 3.32Å; E244-T263 WeakPolarHBondContact CG-O 3.41Å; E244-H273 IonicContact OE1-CE1 3.67Å
245T89.3Confident85.1Confident1 Ų155.9 Ų55.91%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-136.6137-170.6-540000110.9P184 Q243 V262 T263P184-T245 HydrophobicContact CB-CG2 3.8Å; P184-T245 CarbonylContact O-C 3.58Å; P184-T245 VanDerWaalsContact O-CA 3.28Å; P184-T245 WeakPolarHBondContact O-CA 3.49Å; P184-T245 VanDerWaalsContact O-CG2 3.26Å; P184-T245 WeakPolarHBondContact O-CG2 3.43Å; Q243-T245 PolarHBondContact O-N 3.36Å; Q243-T245 PolarHBondContact O-OG1 2.7Å; T245-V262 WeakPolarHBondContact O-CA 3.41Å; T245-T263 PolarHBondContact N-O 2.93Å; T245-T263 PolarHBondContact O-N 2.79Å; T245-T263 PolarHBondContact O-OG1 3.21Å
246F92.4Very high86.8Confident13 Ų1350 Ų506%0.05726%0.256CS..EExtended strand (participates in β ladder)trans-72.7131.1170.3-64.1-54.1000110.2P184 N185 I187 L210 T212 I260 V262P184-F246 PolarHBondContact O-N 3.33Å; N185-F246 VanDerWaalsContact C-CE2 3.48Å; N185-F246 WeakPolarHBondContact O-CE2 3.38Å; I187-F246 HydrophobicContact CB-CE2 4.46Å; I187-F246 HydrophobicContact CD1-CB 4.14Å; I187-F246 HydrophobicContact CD1-CD1 3.75Å; I187-F246 HydrophobicContact CD1-CD2 3.67Å; I187-F246 HydrophobicContact CD1-CE1 4Å; I187-F246 HydrophobicContact CD1-CE2 3.9Å; I187-F246 HydrophobicContact CD1-CG 3.59Å; I187-F246 HydrophobicContact CD1-CZ 4.07Å; I187-F246 HydrophobicContact CG1-CD2 3.62Å; I187-F246 HydrophobicContact CG1-CE2 3.85Å; I187-F246 HydrophobicContact CG1-CG 4.03Å; I187-F246 HydrophobicContact CG1-CZ 4.47Å; L210-F246 HydrophobicContact CB-CZ 4.04Å; T212-F246 HydrophobicContact CG2-CD1 3.87Å; T212-F246 HydrophobicContact CG2-CD2 3.83Å; T212-F246 HydrophobicContact CG2-CE1 3.64Å; T212-F246 HydrophobicContact CG2-CE2 3.61Å; T212-F246 HydrophobicContact CG2-CG 3.96Å; T212-F246 HydrophobicContact CG2-CZ 3.5Å; F246-I260 HydrophobicContact CD1-CG2 3.51Å; F246-I260 HydrophobicContact CE1-CG2 4.03Å; F246-I260 HydrophobicContact CG-CG2 4.38Å; F246-V262 HydrophobicContact CD1-CG2 3.81Å; F246-V262 HydrophobicContact CE1-CG2 4.03Å
247R91.4Very high88.1Confident56 Ų5646.9 Ų46.921%0.21124%0.242CC..EExtended strand (participates in β ladder)trans-114.2-53.1-176.7-61.9-58.9179.8-176.6-5.2113.1A261 T263 W294 E296R247-A261 HydrophobicContact CB-CB 4.45Å; R247-A261 PolarHBondContact N-O 2.85Å; R247-T263 HydrophobicContact CG-CG2 3.71Å; R247-T263 PolarHBondContact NE-OG1 3.23Å; R247-W294 HydrophobicContact CB-CZ2 3.81Å; R247-W294 HydrophobicContact CG-CZ2 4.16Å; R247-E296 VanDerWaalsContact CZ-CD 3.44Å; R247-E296 IonicContact CZ-OE1 3.59Å; R247-E296 IonicContact CZ-OE2 3.92Å; R247-E296 IonicContact NE-OE1 2.67Å; R247-E296 IonicContact NH1-OE2 3.78Å; R247-E296 IonicContact NH2-OE1 3.79Å; R247-E296 PolarHBondContact NH2-OE1 2.91Å; R247-E296 IonicContact NH2-OE2 3.63Å; R247-E296 PolarHBondContact NH2-OE2 2.83Å
248L93.3Very high89Confident49 Ų4943.6 Ų43.626%0.25723%0.225SC..EExtended strand (participates in β ladder)trans-132.9146.7-178-60.2173.3000109.2I260 A261 W294 H300 L302L248-I260 CarbonylContact O-C 3.6Å; L248-I260 VanDerWaalsContact O-CA 3.29Å; L248-I260 WeakPolarHBondContact O-CA 3.32Å; L248-A261 HydrophobicContact CB-CB 4.01Å; L248-A261 PolarHBondContact O-N 2.8Å; L248-W294 HydrophobicContact CD1-CH2 3.84Å; L248-W294 HydrophobicContact CD1-CZ2 4.37Å; L248-W294 HydrophobicContact CG-CH2 4.43Å; L248-H300 HydrophobicContact CD1-CB 4.13Å; L248-L302 HydrophobicContact CB-CB 4.36Å; L248-L302 HydrophobicContact CD1-CB 3.69Å
249L95.3Very high89.9Confident27 Ų2742.3 Ų42.314%0.14122%0.218CC..EExtended strand (participates in β ladder)trans-131.4126.9171.8179.4151.4000108F170 I180 I182 I187 L258 A259 I260F170-L249 HydrophobicContact CZ-CD2 4.13Å; I180-L249 HydrophobicContact CD1-CD2 3.89Å; I180-L249 HydrophobicContact CG2-CD1 4Å; I182-L249 HydrophobicContact CD1-CB 3.7Å; I182-L249 HydrophobicContact CD1-CD1 3.99Å; I182-L249 HydrophobicContact CD1-CG 4.29Å; I187-L249 HydrophobicContact CD1-CD1 4.13Å; I187-L249 HydrophobicContact CG2-CD1 4.16Å; L249-L258 HydrophobicContact CD2-CD2 4.24Å; L249-A259 WeakPolarHBondContact CA-O 3.16Å; L249-I260 HydrophobicContact CB-CG1 4.43Å; L249-I260 HydrophobicContact CD1-CD1 4.22Å; L249-I260 HydrophobicContact CD1-CG1 4.04Å; L249-I260 HydrophobicContact CG-CG1 4.12Å
250E95.7Very high91Very high68 Ų6841.6 Ų41.632%0.31821%0.214SC..EExtended strand (participates in β ladder)trans-124.5137.5174.5-174.569166.700109.3A259E250-A259 HydrophobicContact CB-CB 4.49Å; E250-A259 PolarHBondContact N-O 3.3Å; E250-A259 PolarHBondContact O-N 3.17Å
251Y95.7Very high91.7Very high36 Ų3639.7 Ų39.714%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-103.1126.2174.3170.2-113.5000109.8H172 P173 A174 D253 D256 L257 L258 N279H172-Y251 AromaticContact CE1-CD1 3.92Å; H172-Y251 AromaticContact CE1-CD2 3.73Å; H172-Y251 AromaticContact CE1-CE1 3.93Å; H172-Y251 AromaticContact CE1-CE2 3.78Å; H172-Y251 AromaticContact CE1-CG 3.79Å; H172-Y251 AromaticContact CE1-CZ 3.86Å; P173-Y251 HydrophobicContact CB-CD1 3.92Å; P173-Y251 HydrophobicContact CG-CD1 4.32Å; A174-Y251 HydrophobicContact CB-CE1 3.79Å; Y251-D253 HydrophobicContact CD1-CB 4.5Å; Y251-D253 HydrophobicContact CE1-CB 3.74Å; Y251-D256 WeakPolarHBondContact CE2-OD1 3.28Å; Y251-D256 PolarHBondContact OH-OD1 2.87Å; Y251-L257 WeakPolarHBondContact CD2-O 3.44Å; Y251-L258 HydrophobicContact CD2-CD2 3.88Å; Y251-L258 HydrophobicContact CG-CD2 4.39Å; Y251-N279 HydrophobicContact CE2-CB 4.25Å; Y251-N279 WeakPolarHBondContact CE2-ND2 3.04Å
252E95.2Very high92.6Very high3 Ų336 Ų361%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-107.1122.6174.4-159.6-78.3171.700108.8E254 L255 D256 L257 F304 R306E252-E254 PolarHBondContact OE2-N 3.07Å; E252-L255 WeakPolarHBondContact OE2-CA 3.48Å; E252-L255 WeakPolarHBondContact OE2-CB 3.41Å; E252-L255 WeakPolarHBondContact OE2-CG 3.33Å; E252-L255 PolarHBondContact OE2-N 3.48Å; E252-D256 WeakPolarHBondContact O-CA 3.19Å; E252-D256 PolarHBondContact O-N 2.87Å; E252-L257 PolarHBondContact N-O 3.16Å; E252-L257 PolarHBondContact O-N 3.25Å; E252-L257 VanDerWaalsContact O-N 3.15Å; E252-F304 HydrophobicContact CB-CD1 3.51Å; E252-F304 HydrophobicContact CB-CE1 3.94Å; E252-F304 HydrophobicContact CB-CG 4.3Å; E252-F304 HydrophobicContact CG-CD1 3.91Å; E252-F304 HydrophobicContact CG-CE1 4.21Å; E252-F304 HydrophobicContact CG-CG 4.36Å; E252-F304 WeakPolarHBondContact CG-O 3.49Å; E252-R306 PolarHBondContact OE1-N 2.99Å
253D92.9Very high93.2Very high116 Ų11632.4 Ų32.462%0.6216%0.158SC*.THydrogen-bonded Turntrans-85.5-27.9-165.364.4-34.8000113.9Y251Y251-D253 HydrophobicContact CD1-CB 4.5Å; Y251-D253 HydrophobicContact CE1-CB 3.74Å
254E93.1Very high93.3Very high100 Ų10033.4 Ų33.447%0.46716%0.164SC..THydrogen-bonded Turntrans-77.7-33.8-177.6-58.4-169.7154.500113.6E252 R306E252-E254 PolarHBondContact OE2-N 3.07Å; E254-R306 IonicContact OE1-CZ 3.55Å; E254-R306 IonicContact OE1-NE 3.98Å; E254-R306 IonicContact OE1-NH2 2.96Å; E254-R306 PolarHBondContact OE1-NH2 3.36Å; E254-R306 VanDerWaalsContact OE2-CD 3.29Å; E254-R306 WeakPolarHBondContact OE2-CD 3.28Å; E254-R306 WeakPolarHBondContact OE2-CG 3.28Å; E254-R306 IonicContact OE2-CZ 2.86Å; E254-R306 IonicContact OE2-NE 2.57Å; E254-R306 PolarHBondContact OE2-NE 2.77Å; E254-R306 IonicContact OE2-NH1 3.94Å; E254-R306 IonicContact OE2-NH2 2.67Å; E254-R306 PolarHBondContact OE2-NH2 3.07Å
255L94Very high92.5Very high86 Ų8632.8 Ų32.845%0.4517%0.166SC..THydrogen-bonded Turntrans-95.5-11175.7-56.9-177.6000112.6E252 L257 F304 R306E252-L255 WeakPolarHBondContact OE2-CA 3.48Å; E252-L255 WeakPolarHBondContact OE2-CB 3.41Å; E252-L255 WeakPolarHBondContact OE2-CG 3.33Å; E252-L255 PolarHBondContact OE2-N 3.48Å; L255-L257 HydrophobicContact CB-CB 4.47Å; L255-L257 HydrophobicContact CB-CD1 3.86Å; L255-L257 HydrophobicContact CB-CG 3.88Å; L255-L257 HydrophobicContact CD1-CD1 4.08Å; L255-F304 HydrophobicContact CD1-CE1 4.4Å; L255-F304 HydrophobicContact CD1-CZ 4Å; L255-R306 WeakPolarHBondContact CD1-O 3.46Å
256D95.1Very high91.4Very high42 Ų4240 Ų4023%0.22520%0.2CC..THydrogen-bonded Turntrans53.751.7-173.9-160.937.8000112Y251 E252 N279 Q280Y251-D256 WeakPolarHBondContact CE2-OD1 3.28Å; Y251-D256 PolarHBondContact OH-OD1 2.87Å; E252-D256 WeakPolarHBondContact O-CA 3.19Å; E252-D256 PolarHBondContact O-N 2.87Å; D256-N279 WeakPolarHBondContact O-CB 3.36Å; D256-N279 PolarHBondContact O-N 2.89Å; D256-N279 VanDerWaalsContact O-N 3.14Å; D256-N279 WeakPolarHBondContact OD1-CB 3.36Å; D256-N279 PolarHBondContact OD1-ND2 3.47Å; D256-Q280 PolarHBondContact OD2-NE2 3Å
257L96.3Very high89.7Confident27 Ų2742.7 Ų42.714%0.14123%0.231CC..EExtended strand (participates in β ladder)trans-119.4148.5-178-66.1178.2000111.8Y251 E252 L255 H277 Q285 F304Y251-L257 WeakPolarHBondContact CD2-O 3.44Å; E252-L257 PolarHBondContact N-O 3.16Å; E252-L257 PolarHBondContact O-N 3.25Å; E252-L257 VanDerWaalsContact O-N 3.15Å; L255-L257 HydrophobicContact CB-CB 4.47Å; L255-L257 HydrophobicContact CB-CD1 3.86Å; L255-L257 HydrophobicContact CB-CG 3.88Å; L255-L257 HydrophobicContact CD1-CD1 4.08Å; L257-H277 WeakPolarHBondContact CA-O 3.48Å; L257-H277 WeakPolarHBondContact CD2-O 3.43Å; L257-Q285 HydrophobicContact CD2-CG 4.31Å; L257-F304 HydrophobicContact CB-CE1 4.19Å; L257-F304 HydrophobicContact CD1-CE1 4.16Å; L257-F304 HydrophobicContact CD1-CZ 4.46Å
258L96.8Very high88Confident0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-100.9118.7166.8-61.9174.2000108.9I180 Y208 L249 Y251 L276 H277 N279I180-L258 HydrophobicContact CD1-CD2 4.47Å; Y208-L258 WeakPolarHBondContact OH-CD1 3.35Å; L249-L258 HydrophobicContact CD2-CD2 4.24Å; Y251-L258 HydrophobicContact CD2-CD2 3.88Å; Y251-L258 HydrophobicContact CG-CD2 4.39Å; L258-L276 CarbonylContact O-C 3.58Å; L258-L276 WeakPolarHBondContact O-CA 3.31Å; L258-H277 HydrophobicContact CB-CB 4.32Å; L258-H277 PolarHBondContact N-O 3.37Å; L258-H277 PolarHBondContact O-N 3.42Å; L258-N279 HydrophobicContact CG-CB 4.3Å
259A97.3Very high86.4Confident0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-95.6118.2171.400000109.4L249 E250 V274 L276 F304L249-A259 WeakPolarHBondContact CA-O 3.16Å; E250-A259 HydrophobicContact CB-CB 4.49Å; E250-A259 PolarHBondContact N-O 3.3Å; E250-A259 PolarHBondContact O-N 3.17Å; A259-V274 HydrophobicContact CB-CG1 4.15Å; A259-L276 HydrophobicContact CB-CD2 3.69Å; A259-F304 HydrophobicContact CB-CB 3.9Å; A259-F304 HydrophobicContact CB-CD1 3.78Å; A259-F304 HydrophobicContact CB-CG 4.05Å
260I96.9Very high85.4Confident0 Ų054.9 Ų54.90%030%0.295CS..EExtended strand (participates in β ladder)trans-120.6120-175.5-58.3166000109.2I187 L210 F246 L248 L249 V262 V274 Q275I187-I260 HydrophobicContact CD1-CD1 3.81Å; I187-I260 HydrophobicContact CD1-CG1 4.35Å; I187-I260 HydrophobicContact CD1-CG2 3.99Å; L210-I260 HydrophobicContact CD1-CD1 3.35Å; F246-I260 HydrophobicContact CD1-CG2 3.51Å; F246-I260 HydrophobicContact CE1-CG2 4.03Å; F246-I260 HydrophobicContact CG-CG2 4.38Å; L248-I260 CarbonylContact O-C 3.6Å; L248-I260 VanDerWaalsContact O-CA 3.29Å; L248-I260 WeakPolarHBondContact O-CA 3.32Å; L249-I260 HydrophobicContact CB-CG1 4.43Å; L249-I260 HydrophobicContact CD1-CD1 4.22Å; L249-I260 HydrophobicContact CD1-CG1 4.04Å; L249-I260 HydrophobicContact CG-CG1 4.12Å; I260-V262 HydrophobicContact CG2-CG2 3.93Å; I260-V274 CarbonylContact O-C 3.54Å; I260-V274 WeakPolarHBondContact O-CA 3.4Å; I260-Q275 PolarHBondContact N-O 3.34Å; I260-Q275 PolarHBondContact O-N 3.06Å
261A95.4Very high85Confident0 Ų059.4 Ų59.40%031%0.309CS..EExtended strand (participates in β ladder)trans-79.4128.2170.300000110R247 L248 W294 L302R247-A261 HydrophobicContact CB-CB 4.45Å; R247-A261 PolarHBondContact N-O 2.85Å; L248-A261 HydrophobicContact CB-CB 4.01Å; L248-A261 PolarHBondContact O-N 2.8Å; A261-W294 HydrophobicContact CB-CH2 3.94Å; A261-W294 HydrophobicContact CB-CZ3 4.33Å; A261-L302 HydrophobicContact CB-CD2 4.26Å
262V93.7Very high84.8Confident0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-129.6127-176.7-1710000109.5T212 E244 T245 F246 I260 N264 A272 H273 Q275T212-V262 HydrophobicContact CG2-CG1 4.38Å; E244-V262 HydrophobicContact CG-CG1 3.38Å; T245-V262 WeakPolarHBondContact O-CA 3.41Å; F246-V262 HydrophobicContact CD1-CG2 3.81Å; F246-V262 HydrophobicContact CE1-CG2 4.03Å; I260-V262 HydrophobicContact CG2-CG2 3.93Å; V262-N264 PolarHBondContact O-OD1 2.83Å; V262-A272 CarbonylContact O-C 3.57Å; V262-A272 WeakPolarHBondContact O-CA 3.43Å; V262-H273 PolarHBondContact N-O 3.31Å; V262-H273 PolarHBondContact O-N 2.85Å; V262-H273 PolarHBondContact O-ND1 2.81Å; V262-Q275 HydrophobicContact CG2-CG 3.86Å
263T90.8Very high84.7Confident4 Ų457.7 Ų57.73%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-86.914217249.70000110.1E244 T245 R247 R271 A272 W294E244-T263 WeakPolarHBondContact CA-O 3.41Å; E244-T263 VanDerWaalsContact CG-O 3.32Å; E244-T263 WeakPolarHBondContact CG-O 3.41Å; T245-T263 PolarHBondContact N-O 2.93Å; T245-T263 PolarHBondContact O-N 2.79Å; T245-T263 PolarHBondContact O-OG1 3.21Å; R247-T263 HydrophobicContact CG-CG2 3.71Å; R247-T263 PolarHBondContact NE-OG1 3.23Å; T263-R271 WeakPolarHBondContact CA-O 3.46Å; T263-A272 HydrophobicContact CG2-CB 4.19Å; T263-W294 HydrophobicContact CG2-CB 4.41Å; T263-W294 VanDerWaalsContact CG2-CD1 3.4Å; T263-W294 HydrophobicContact CG2-CD2 4.31Å; T263-W294 HydrophobicContact CG2-CG 3.79Å
264N80.8Confident84.9Confident41 Ų4152.1 Ų52.122%0.21927%0.273CS..EExtended strand (participates in β ladder)trans-90.4-10.4-165.1-50.38.8000113.6V262 E266 R271 H273V262-N264 PolarHBondContact O-OD1 2.83Å; N264-E266 PolarHBondContact O-N 2.85Å; N264-E266 VanDerWaalsContact O-N 3.16Å; N264-R271 PolarHBondContact N-O 2.77Å; N264-R271 PolarHBondContact OD1-O 3.3Å; N264-H273 PolarHBondContact OD1-CE1 2.96Å; N264-H273 PolarHBondContact OD1-ND1 2.89Å
265G70.8Confident85.1Confident19 Ų1948.6 Ų48.620%0.19626%0.257CS..SBendtrans72-2.9-17300000115.4P241 T242P241-G265 WeakPolarHBondContact O-CA 3.13Å; T242-G265 CarbonylContact C-O 3.47Å; T242-G265 WeakPolarHBondContact CA-O 3.46Å; T242-G265 WeakPolarHBondContact O-CA 3.4Å
266E66.8Low85.2Confident154 Ų15444.9 Ų44.972%0.7224%0.237SC*.  trans-112121.9-171.5-66.3-173.5167.400112.2N264N264-E266 PolarHBondContact O-N 2.85Å; N264-E266 VanDerWaalsContact O-N 3.16Å
267G57.1Low85.3Confident69 Ų6943.3 Ų43.371%0.71123%0.229SC*.SBendtrans109.5157.9171.500000114.9E269G267-E269 VanDerWaalsContact C-N 3.33Å
268E55.7Low85.4Confident209 Ų20943.9 Ų43.998%0.97723%0.232SC*.THydrogen-bonded Turntrans-73.4-22.6179.1-67.1-169.8165.600113.3
269E59Low85.3Confident154 Ų15443.9 Ų43.972%0.7223%0.232SC*.THydrogen-bonded Turntrans-99.5-0.3-173.9-72.5-178.4158.400114.8G267 P293G267-E269 VanDerWaalsContact C-N 3.33Å; E269-P293 HydrophobicContact CB-CB 4.46Å; E269-P293 WeakPolarHBondContact O-CB 3.38Å
270G74.4Confident85.2Confident25 Ų2548.6 Ų48.626%0.25825%0.254SS..  trans66.2119.5-176.700000112.3P293 W294G270-P293 WeakPolarHBondContact O-CA 3.38Å; G270-W294 PolarHBondContact O-N 3.3Å
271R86.6Confident85.1Confident163 Ų16352.8 Ų52.862%0.61528%0.28SS*.  trans-122.1142.9174.9-69.1-170.1180-146.6-2.3110.2T263 N264T263-R271 WeakPolarHBondContact CA-O 3.46Å; N264-R271 PolarHBondContact N-O 2.77Å; N264-R271 PolarHBondContact OD1-O 3.3Å
272A92Very high85.1Confident2 Ų253.2 Ų53.22%0.01728%0.284CS..EExtended strand (participates in β ladder)trans-128.8160.117600000111.4V262 T263 L290 W294V262-A272 CarbonylContact O-C 3.57Å; V262-A272 WeakPolarHBondContact O-CA 3.43Å; T263-A272 HydrophobicContact CG2-CB 4.19Å; A272-L290 HydrophobicContact CB-CD1 4.11Å; A272-L290 WeakPolarHBondContact O-CB 3.42Å; A272-L290 PolarHBondContact O-N 2.79Å; A272-W294 HydrophobicContact CB-CB 3.68Å; A272-W294 HydrophobicContact CB-CD2 3.59Å; A272-W294 HydrophobicContact CB-CE3 3.39Å; A272-W294 HydrophobicContact CB-CG 3.74Å; A272-W294 HydrophobicContact CB-CZ3 4.21Å
273H94.3Very high85.2Confident0 Ų061.7 Ų61.70%032%0.316CS..EExtended strand (participates in β ladder)trans-142.8153.117462.2-82000109.4E244 V262 N264 Q275 K287 I288 D289E244-H273 IonicContact OE1-CE1 3.67Å; V262-H273 PolarHBondContact N-O 3.31Å; V262-H273 PolarHBondContact O-N 2.85Å; V262-H273 PolarHBondContact O-ND1 2.81Å; N264-H273 PolarHBondContact OD1-CE1 2.96Å; N264-H273 PolarHBondContact OD1-ND1 2.89Å; H273-Q275 VanDerWaalsContact CD2-CG 3.48Å; H273-Q275 WeakPolarHBondContact CD2-CG 3.43Å; H273-Q275 PolarHBondContact NE2-NE2 3.09Å; H273-K287 HydrophobicContact CB-CG 4.29Å; H273-K287 WeakPolarHBondContact CD2-CD 3.3Å; H273-K287 WeakPolarHBondContact CD2-CE 3.29Å; H273-K287 PolarHBondContact CD2-NZ 2.78Å; H273-K287 VanDerWaalsContact CD2-NZ 3.33Å; H273-K287 PolarHBondContact CE1-NZ 3.24Å; H273-K287 PolarHBondContact ND1-NZ 3.38Å; H273-K287 WeakPolarHBondContact NE2-CE 3.49Å; H273-K287 PolarHBondContact NE2-NZ 3.35Å; H273-I288 CarbonylContact C-O 3.57Å; H273-I288 VanDerWaalsContact CA-O 3.24Å; H273-I288 WeakPolarHBondContact CA-O 3.44Å; H273-I288 WeakPolarHBondContact CB-O 3.38Å; H273-D289 WeakPolarHBondContact CB-OD1 3.41Å
274V96.6Very high85.5Confident0 Ų065.5 Ų65.50%034%0.335CS..EExtended strand (participates in β ladder)trans-96.2124.3173.7-1800000108.9A259 I260 L276 K287 I288 L290 L302 I309A259-V274 HydrophobicContact CB-CG1 4.15Å; I260-V274 CarbonylContact O-C 3.54Å; I260-V274 WeakPolarHBondContact O-CA 3.4Å; V274-L276 HydrophobicContact CG1-CD2 3.95Å; V274-K287 CarbonylContact O-C 3.45Å; V274-K287 WeakPolarHBondContact O-CA 3.36Å; V274-I288 PolarHBondContact N-O 2.67Å; V274-I288 PolarHBondContact O-N 2.85Å; V274-L290 HydrophobicContact CG2-CD1 4.37Å; V274-L290 HydrophobicContact CG2-CD2 4.04Å; V274-L290 HydrophobicContact CG2-CG 4.38Å; V274-L302 HydrophobicContact CG1-CD2 4.41Å; V274-L302 HydrophobicContact CG2-CD1 4.1Å; V274-L302 HydrophobicContact CG2-CD2 4.12Å; V274-I309 HydrophobicContact CG1-CD1 4.25Å
275Q96.7Very high86.2Confident26 Ų2668.7 Ų68.712%0.12135%0.349CS..EExtended strand (participates in β ladder)trans-98.9123.6171.3-60.5-173.54.800109.1I260 V262 H273 H277 L284I260-Q275 PolarHBondContact N-O 3.34Å; I260-Q275 PolarHBondContact O-N 3.06Å; V262-Q275 HydrophobicContact CG2-CG 3.86Å; H273-Q275 VanDerWaalsContact CD2-CG 3.48Å; H273-Q275 WeakPolarHBondContact CD2-CG 3.43Å; H273-Q275 PolarHBondContact NE2-NE2 3.09Å; Q275-H277 VanDerWaalsContact CB-NE2 3.33Å; Q275-H277 WeakPolarHBondContact CB-NE2 3.28Å; Q275-H277 PolarHBondContact OE1-NE2 2.63Å; Q275-L284 HydrophobicContact CB-CD1 3.73Å; Q275-L284 HydrophobicContact CG-CD1 4.22Å
276L97.1Very high87.3Confident7 Ų773.1 Ų73.14%0.03736%0.36CS..EExtended strand (participates in β ladder)trans-97.2116.9173.4-57.5-175.8000108.9L258 A259 V274 Q285 R286 I288 F304 L326L258-L276 CarbonylContact O-C 3.58Å; L258-L276 WeakPolarHBondContact O-CA 3.31Å; A259-L276 HydrophobicContact CB-CD2 3.69Å; V274-L276 HydrophobicContact CG1-CD2 3.95Å; L276-Q285 WeakPolarHBondContact O-CB 3.37Å; L276-Q285 PolarHBondContact O-N 3.3Å; L276-R286 HydrophobicContact CB-CB 4.33Å; L276-R286 HydrophobicContact CD1-CB 4.3Å; L276-R286 PolarHBondContact N-O 3.28Å; L276-R286 PolarHBondContact O-N 3.08Å; L276-I288 HydrophobicContact CD1-CD1 3.76Å; L276-I288 HydrophobicContact CG-CD1 3.81Å; L276-F304 HydrophobicContact CD1-CZ 4.12Å; L276-F304 HydrophobicContact CD2-CD1 4.22Å; L276-F304 HydrophobicContact CD2-CE1 3.95Å; L276-F304 HydrophobicContact CD2-CZ 4.2Å; L276-L326 HydrophobicContact CD1-CD1 3.95Å
277H97.3Very high88.6Confident10 Ų1070.4 Ų70.45%0.04635%0.346CS..EExtended strand (participates in β ladder)trans-111.5143.1179.5-67.4-107.4000111L257 L258 Q275 N279 G282 R283L257-H277 WeakPolarHBondContact CA-O 3.48Å; L257-H277 WeakPolarHBondContact CD2-O 3.43Å; L258-H277 HydrophobicContact CB-CB 4.32Å; L258-H277 PolarHBondContact N-O 3.37Å; L258-H277 PolarHBondContact O-N 3.42Å; Q275-H277 VanDerWaalsContact CB-NE2 3.33Å; Q275-H277 WeakPolarHBondContact CB-NE2 3.28Å; Q275-H277 PolarHBondContact OE1-NE2 2.63Å; H277-N279 PolarHBondContact O-N 3.42Å; H277-G282 PolarHBondContact ND1-O 2.77Å; H277-R283 WeakPolarHBondContact CA-O 3.26Å
278D96.6Very high90.4Very high39 Ų3968.1 Ų68.121%0.20932%0.317CS..EExtended strand (participates in β ladder)trans-60.8124.1166.4-180-94.1000110.1Q280 T281 G282 R283 Q285D278-Q280 VanDerWaalsContact C-N 3.27Å; D278-Q280 PolarHBondContact O-N 3.39Å; D278-Q280 PolarHBondContact OD1-N 3.47Å; D278-Q280 VanDerWaalsContact OD1-N 3.15Å; D278-T281 WeakPolarHBondContact CB-OG1 3.47Å; D278-T281 VanDerWaalsContact CG-OG1 3.27Å; D278-T281 WeakPolarHBondContact OD1-CB 3.33Å; D278-T281 WeakPolarHBondContact OD1-CG2 3.44Å; D278-T281 PolarHBondContact OD1-N 3.43Å; D278-T281 PolarHBondContact OD1-OG1 3.28Å; D278-G282 VanDerWaalsContact O-CA 3.27Å; D278-G282 WeakPolarHBondContact O-CA 3.5Å; D278-G282 PolarHBondContact O-N 3.36Å; D278-R283 HydrophobicContact CB-CB 4.4Å; D278-R283 PolarHBondContact N-O 2.86Å; D278-Q285 HydrophobicContact CB-CG 4.32Å
279N95.7Very high92.2Very high0 Ų062.9 Ų62.90%030%0.296CS..THydrogen-bonded Turntrans-66.6-27.6-174-176.828.4000113.4H172 R178 Y208 Y251 D256 L258 H277H172-N279 PolarHBondContact CE1-ND2 2.67Å; H172-N279 PolarHBondContact NE2-ND2 3.44Å; H172-N279 PolarHBondContact NE2-OD1 2.84Å; R178-N279 PolarHBondContact NH1-O 2.82Å; R178-N279 PolarHBondContact NH2-ND2 2.81Å; R178-N279 PolarHBondContact NH2-OD1 3.37Å; Y208-N279 VanDerWaalsContact CE1-O 3.28Å; Y208-N279 WeakPolarHBondContact CE1-O 3.44Å; Y208-N279 PolarHBondContact OH-O 3.43Å; Y251-N279 HydrophobicContact CE2-CB 4.25Å; Y251-N279 WeakPolarHBondContact CE2-ND2 3.04Å; D256-N279 WeakPolarHBondContact O-CB 3.36Å; D256-N279 PolarHBondContact O-N 2.89Å; D256-N279 VanDerWaalsContact O-N 3.14Å; D256-N279 WeakPolarHBondContact OD1-CB 3.36Å; D256-N279 PolarHBondContact OD1-ND2 3.47Å; L258-N279 HydrophobicContact CG-CB 4.3Å; H277-N279 PolarHBondContact O-N 3.42Å
280Q94.5Very high93.9Very high98 Ų9856 Ų5646%0.45826%0.264SS..THydrogen-bonded Turntrans-83.6-37.3-176.5-58.9-57.4-35.800112.5Y208 D256 D278Y208-Q280 WeakPolarHBondContact CE1-O 3.27Å; D256-Q280 PolarHBondContact OD2-NE2 3Å; D278-Q280 VanDerWaalsContact C-N 3.27Å; D278-Q280 PolarHBondContact O-N 3.39Å; D278-Q280 PolarHBondContact OD1-N 3.47Å; D278-Q280 VanDerWaalsContact OD1-N 3.15Å
281T94.9Very high94.7Very high89 Ų8962 Ų6255%0.54629%0.29SS..THydrogen-bonded Turntrans-109.8-13.4-171.462.50000113.7D278 R283D278-T281 WeakPolarHBondContact CB-OG1 3.47Å; D278-T281 VanDerWaalsContact CG-OG1 3.27Å; D278-T281 WeakPolarHBondContact OD1-CB 3.33Å; D278-T281 WeakPolarHBondContact OD1-CG2 3.44Å; D278-T281 PolarHBondContact OD1-N 3.43Å; D278-T281 PolarHBondContact OD1-OG1 3.28Å; T281-R283 PolarHBondContact O-N 3.17Å; T281-R283 WeakPolarHBondContact OG1-CB 3.34Å; T281-R283 PolarHBondContact OG1-N 2.9Å
282G95.3Very high94.9Very high8 Ų855 Ų558%0.08226%0.264CS..  trans70.64.6-171.800000113.8Y208 L210 H277 D278 L284Y208-G282 VanDerWaalsContact CE2-CA 3.42Å; L210-G282 VanDerWaalsContact CD2-O 3.23Å; L210-G282 WeakPolarHBondContact CD2-O 3.39Å; H277-G282 PolarHBondContact ND1-O 2.77Å; D278-G282 VanDerWaalsContact O-CA 3.27Å; D278-G282 WeakPolarHBondContact O-CA 3.5Å; D278-G282 PolarHBondContact O-N 3.36Å; G282-L284 PolarHBondContact O-N 3.5Å
283R96.7Very high94.7Very high179 Ų17957.6 Ų57.668%0.67528%0.281SS*.  trans-69128.9-175.9-175.9178.8175.4-178.8-0.8110.7H277 D278 T281 Q285H277-R283 WeakPolarHBondContact CA-O 3.26Å; D278-R283 HydrophobicContact CB-CB 4.4Å; D278-R283 PolarHBondContact N-O 2.86Å; T281-R283 PolarHBondContact O-N 3.17Å; T281-R283 WeakPolarHBondContact OG1-CB 3.34Å; T281-R283 PolarHBondContact OG1-N 2.9Å; R283-Q285 PolarHBondContact O-N 2.87Å
284L96.8Very high94.5Very high83 Ų8358.1 Ų58.144%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-62.1122.1172.5-178.168.1000110.6Q275 G282 R286Q275-L284 HydrophobicContact CB-CD1 3.73Å; Q275-L284 HydrophobicContact CG-CD1 4.22Å; G282-L284 PolarHBondContact O-N 3.5Å; L284-R286 WeakPolarHBondContact CD1-O 3.23Å
285Q94.9Very high94Very high109 Ų10961 Ų6151%0.50930%0.298SS..EExtended strand (participates in β ladder)trans-97.4-43.3176.7-64-68.3-600111.4L257 L276 D278 R283L257-Q285 HydrophobicContact CD2-CG 4.31Å; L276-Q285 WeakPolarHBondContact O-CB 3.37Å; L276-Q285 PolarHBondContact O-N 3.3Å; D278-Q285 HydrophobicContact CB-CG 4.32Å; R283-Q285 PolarHBondContact O-N 2.87Å
286R93.9Very high93.2Very high112 Ų11262.9 Ų62.942%0.42331%0.307SS..EExtended strand (participates in β ladder)trans-154147.8-175.8-167.6171.3-177.5167.11.8111.8L276 L284 I288L276-R286 HydrophobicContact CB-CB 4.33Å; L276-R286 HydrophobicContact CD1-CB 4.3Å; L276-R286 PolarHBondContact N-O 3.28Å; L276-R286 PolarHBondContact O-N 3.08Å; L284-R286 WeakPolarHBondContact CD1-O 3.23Å; R286-I288 HydrophobicContact CG-CD1 4.08Å; R286-I288 HydrophobicContact CG-CG1 4.28Å
287K94.9Very high92.6Very high96 Ų9667.8 Ų67.842%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-115.6134.2167.9171163.8170.9155.60109.1H273 V274 D289H273-K287 HydrophobicContact CB-CG 4.29Å; H273-K287 WeakPolarHBondContact CD2-CD 3.3Å; H273-K287 WeakPolarHBondContact CD2-CE 3.29Å; H273-K287 PolarHBondContact CD2-NZ 2.78Å; H273-K287 VanDerWaalsContact CD2-NZ 3.33Å; H273-K287 PolarHBondContact CE1-NZ 3.24Å; H273-K287 PolarHBondContact ND1-NZ 3.38Å; H273-K287 WeakPolarHBondContact NE2-CE 3.49Å; H273-K287 PolarHBondContact NE2-NZ 3.35Å; V274-K287 CarbonylContact O-C 3.45Å; V274-K287 WeakPolarHBondContact O-CA 3.36Å; K287-D289 VanDerWaalsContact CE-OD1 3.23Å; K287-D289 WeakPolarHBondContact CE-OD1 3.44Å
288I94.8Very high92.2Very high22 Ų2271.2 Ų71.211%0.11335%0.351CS..EExtended strand (participates in β ladder)trans-125.7113.8177.3-59.5108.8000107.7H273 V274 L276 R286 I309 L326H273-I288 CarbonylContact C-O 3.57Å; H273-I288 VanDerWaalsContact CA-O 3.24Å; H273-I288 WeakPolarHBondContact CA-O 3.44Å; H273-I288 WeakPolarHBondContact CB-O 3.38Å; V274-I288 PolarHBondContact N-O 2.67Å; V274-I288 PolarHBondContact O-N 2.85Å; L276-I288 HydrophobicContact CD1-CD1 3.76Å; L276-I288 HydrophobicContact CG-CD1 3.81Å; R286-I288 HydrophobicContact CG-CD1 4.08Å; R286-I288 HydrophobicContact CG-CG1 4.28Å; I288-I309 HydrophobicContact CD1-CD1 4.05Å; I288-L326 HydrophobicContact CD1-CD2 3.99Å; I288-L326 HydrophobicContact CG1-CD2 3.86Å
289D93.9Very high91.9Very high99 Ų9973 Ų7353%0.52937%0.365SS..EExtended strand (participates in β ladder)trans-73.3137.9175-60.1-44.9000109.8H273 K287H273-D289 WeakPolarHBondContact CB-OD1 3.41Å; K287-D289 VanDerWaalsContact CE-OD1 3.23Å; K287-D289 WeakPolarHBondContact CE-OD1 3.44Å
290L93.3Very high91.8Very high10 Ų1074.3 Ų74.35%0.05237%0.37CS..  trans-86136.7173-59.9179.9000109.1A272 V274 W294 Y324A272-L290 HydrophobicContact CB-CD1 4.11Å; A272-L290 WeakPolarHBondContact O-CB 3.42Å; A272-L290 PolarHBondContact O-N 2.79Å; V274-L290 HydrophobicContact CG2-CD1 4.37Å; V274-L290 HydrophobicContact CG2-CD2 4.04Å; V274-L290 HydrophobicContact CG2-CG 4.38Å; L290-W294 HydrophobicContact CD1-CE3 3.99Å; L290-W294 HydrophobicContact CD1-CZ3 3.92Å; L290-Y324 WeakPolarHBondContact CA-OH 3.46Å; L290-Y324 HydrophobicContact CD2-CD2 4.22Å; L290-Y324 HydrophobicContact CD2-CE1 4.38Å; L290-Y324 HydrophobicContact CD2-CE2 3.64Å
291D91.4Very high91.8Very high149 Ų14974.7 Ų74.780%0.79737%0.372SS*.SBendtrans-78.1-33.8-178.3-72.7-31.5000111.6Y324D291-Y324 PolarHBondContact N-OH 3.08Å
292E91.1Very high91.8Very high16 Ų1671 Ų718%0.07535%0.349CS..SBendtrans-73.1149.5175.667.2-77.6176.100113H311 H322 Y324E292-H311 IonicContact OE1-CE1 3.35Å; E292-H311 IonicContact OE1-CG 3.68Å; E292-H311 IonicContact OE1-ND1 2.65Å; E292-H311 PolarHBondContact OE1-ND1 3.15Å; E292-H322 IonicContact OE2-CG 3.61Å; E292-H322 IonicContact OE2-ND1 3.79Å; E292-Y324 PolarHBondContact OE2-OH 3.15Å
293P88.5Confident91.9Very high58 Ų5875 Ų7538%0.37736%0.364SS..  trans-66147.7169.829-34.8000110.8E269 G270E269-P293 HydrophobicContact CB-CB 4.46Å; E269-P293 WeakPolarHBondContact O-CB 3.38Å; G270-P293 WeakPolarHBondContact O-CA 3.38Å
294W89.2Confident91.9Very high11 Ų1167 Ų674%0.04233%0.334CS..  trans-105.597.2175.7-169.1-75000109.8R247 L248 A261 T263 G270 A272 L290 H300 H311R247-W294 HydrophobicContact CB-CZ2 3.81Å; R247-W294 HydrophobicContact CG-CZ2 4.16Å; L248-W294 HydrophobicContact CD1-CH2 3.84Å; L248-W294 HydrophobicContact CD1-CZ2 4.37Å; L248-W294 HydrophobicContact CG-CH2 4.43Å; A261-W294 HydrophobicContact CB-CH2 3.94Å; A261-W294 HydrophobicContact CB-CZ3 4.33Å; T263-W294 HydrophobicContact CG2-CB 4.41Å; T263-W294 VanDerWaalsContact CG2-CD1 3.4Å; T263-W294 HydrophobicContact CG2-CD2 4.31Å; T263-W294 HydrophobicContact CG2-CG 3.79Å; G270-W294 PolarHBondContact O-N 3.3Å; A272-W294 HydrophobicContact CB-CB 3.68Å; A272-W294 HydrophobicContact CB-CD2 3.59Å; A272-W294 HydrophobicContact CB-CE3 3.39Å; A272-W294 HydrophobicContact CB-CG 3.74Å; A272-W294 HydrophobicContact CB-CZ3 4.21Å; L290-W294 HydrophobicContact CD1-CE3 3.99Å; L290-W294 HydrophobicContact CD1-CZ3 3.92Å; W294-H300 AromaticContact CE2-CD2 3.89Å; W294-H300 AromaticContact CE2-CG 3.97Å; W294-H300 HydrophobicContact CH2-CB 3.79Å; W294-H300 AromaticContact CH2-CG 3.96Å; W294-H300 HydrophobicContact CZ2-CB 3.74Å; W294-H300 AromaticContact CZ2-CD2 3.96Å; W294-H300 AromaticContact CZ2-CG 3.7Å; W294-H300 AromaticContact NE1-CD2 3.95Å; W294-H300 AromaticContact NE1-NE2 4Å; W294-H311 AromaticContact CZ3-CE1 3.99Å; W294-H311 AromaticContact CZ3-NE2 3.72Å
295D86.4Confident91.8Very high60 Ų6067.7 Ų67.732%0.32134%0.339SS..  trans-95.8104.3176.9-180-12.9000110.2T297 Y298 H300D295-T297 VanDerWaalsContact CG-OG1 3.29Å; D295-T297 PolarHBondContact O-N 2.86Å; D295-T297 WeakPolarHBondContact OD1-CB 3.27Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.48Å; D295-T297 PolarHBondContact OD1-N 2.87Å; D295-T297 PolarHBondContact OD1-OG1 3.31Å; D295-T297 PolarHBondContact OD2-OG1 2.97Å; D295-Y298 HydrophobicContact CB-CD2 3.79Å; D295-Y298 HydrophobicContact CB-CE2 4.07Å; D295-Y298 PolarHBondContact O-N 2.73Å; D295-Y298 WeakPolarHBondContact OD2-CE2 3.23Å; D295-H300 PolarHBondContact O-NE2 3.24Å
296E81Confident91.7Very high65 Ų6569 Ų6930%0.30434%0.339SS..THydrogen-bonded Turntrans-59.6-11.7-176.5-58.4-178.4-173.100114.6P241 R247 Y298P241-E296 WeakPolarHBondContact CG-OE2 3.48Å; R247-E296 VanDerWaalsContact CZ-CD 3.44Å; R247-E296 IonicContact CZ-OE1 3.59Å; R247-E296 IonicContact CZ-OE2 3.92Å; R247-E296 IonicContact NE-OE1 2.67Å; R247-E296 IonicContact NH1-OE2 3.78Å; R247-E296 IonicContact NH2-OE1 3.79Å; R247-E296 PolarHBondContact NH2-OE1 2.91Å; R247-E296 IonicContact NH2-OE2 3.63Å; R247-E296 PolarHBondContact NH2-OE2 2.83Å; E296-Y298 VanDerWaalsContact C-N 3.28Å
297T83.8Confident91.7Very high111 Ų11166.6 Ų66.668%0.68133%0.334SS*.THydrogen-bonded Turntrans-77.6-15.2175.769.10000113.3D295D295-T297 VanDerWaalsContact CG-OG1 3.29Å; D295-T297 PolarHBondContact O-N 2.86Å; D295-T297 WeakPolarHBondContact OD1-CB 3.27Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.48Å; D295-T297 PolarHBondContact OD1-N 2.87Å; D295-T297 PolarHBondContact OD1-OG1 3.31Å; D295-T297 PolarHBondContact OD2-OG1 2.97Å
298Y87.9Confident91.7Very high82 Ų8263.4 Ų63.432%0.32232%0.323SS..SBendtrans-98.4149.1177.5-62.3-55.7000112.3D295 E296 H300 Q314 K315D295-Y298 HydrophobicContact CB-CD2 3.79Å; D295-Y298 HydrophobicContact CB-CE2 4.07Å; D295-Y298 PolarHBondContact O-N 2.73Å; D295-Y298 WeakPolarHBondContact OD2-CE2 3.23Å; E296-Y298 VanDerWaalsContact C-N 3.28Å; Y298-H300 PolarHBondContact O-CD2 2.81Å; Y298-H300 PolarHBondContact O-NE2 2.75Å; Y298-Q314 WeakPolarHBondContact CB-O 3.47Å; Y298-Q314 WeakPolarHBondContact CD1-O 3.34Å; Y298-K315 HydrophobicContact CD1-CG 4.46Å; Y298-K315 HydrophobicContact CD2-CG 3.87Å; Y298-K315 HydrophobicContact CE1-CB 4.45Å; Y298-K315 HydrophobicContact CE1-CG 4.47Å; Y298-K315 HydrophobicContact CE2-CG 3.91Å; Y298-K315 HydrophobicContact CG-CG 4.18Å
299P90.9Very high91.8Very high77 Ų7762.3 Ų62.350%0.532%0.318SS..  trans-64.6135.1166.7-2032.2000111.2E313 Q314P299-E313 WeakPolarHBondContact O-CA 3.5Å; P299-Q314 HydrophobicContact CB-CB 4.32Å; P299-Q314 HydrophobicContact CG-CB 4.31Å; P299-Q314 PolarHBondContact O-N 2.72Å
300H93.2Very high92Very high26 Ų2659.3 Ų59.312%0.1230%0.302CS..EExtended strand (participates in β ladder)trans-124.3139.2177.2-65.6-87.6000110.6L248 W294 D295 Y298 H311 I312L248-H300 HydrophobicContact CD1-CB 4.13Å; W294-H300 AromaticContact CE2-CD2 3.89Å; W294-H300 AromaticContact CE2-CG 3.97Å; W294-H300 HydrophobicContact CH2-CB 3.79Å; W294-H300 AromaticContact CH2-CG 3.96Å; W294-H300 HydrophobicContact CZ2-CB 3.74Å; W294-H300 AromaticContact CZ2-CD2 3.96Å; W294-H300 AromaticContact CZ2-CG 3.7Å; W294-H300 AromaticContact NE1-CD2 3.95Å; W294-H300 AromaticContact NE1-NE2 4Å; D295-H300 PolarHBondContact O-NE2 3.24Å; Y298-H300 PolarHBondContact O-CD2 2.81Å; Y298-H300 PolarHBondContact O-NE2 2.75Å; H300-H311 AromaticContact CE1-NE2 3.81Å; H300-H311 AromaticContact CG-NE2 3.8Å; H300-H311 AromaticContact ND1-CE1 3.61Å; H300-H311 AromaticContact ND1-NE2 2.87Å; H300-H311 PolarHBondContact ND1-NE2 2.98Å; H300-I312 CarbonylContact C-O 3.48Å; H300-I312 WeakPolarHBondContact CA-O 3.42Å
301E95.4Very high92.1Very high106 Ų10658.8 Ų58.850%0.49530%0.3SS..EExtended strand (participates in β ladder)trans-126140.7171.1-64.2179-170.900109.5F303 H311 I312E301-F303 HydrophobicContact CB-CE2 3.91Å; E301-F303 HydrophobicContact CB-CZ 4.3Å; E301-H311 WeakPolarHBondContact O-CA 3.41Å; E301-H311 PolarHBondContact O-CD2 3.28Å; E301-I312 HydrophobicContact CB-CB 4.38Å; E301-I312 PolarHBondContact N-O 2.72Å; E301-I312 PolarHBondContact O-N 2.67Å
302L95.6Very high92.3Very high12 Ų1253.8 Ų53.86%0.06327%0.272CS..EExtended strand (participates in β ladder)trans-129.1127.8178.3-172.380.8000109.1L248 A261 V274 I309 V310 H311L248-L302 HydrophobicContact CB-CB 4.36Å; L248-L302 HydrophobicContact CD1-CB 3.69Å; A261-L302 HydrophobicContact CB-CD2 4.26Å; V274-L302 HydrophobicContact CG1-CD2 4.41Å; V274-L302 HydrophobicContact CG2-CD1 4.1Å; V274-L302 HydrophobicContact CG2-CD2 4.12Å; L302-I309 HydrophobicContact CD1-CG2 3.61Å; L302-I309 HydrophobicContact CG-CG2 4.4Å; L302-V310 CarbonylContact C-O 3.38Å; L302-V310 WeakPolarHBondContact CA-O 3.25Å; L302-H311 HydrophobicContact CD1-CB 4.08Å
303F95.9Very high92.5Very high92 Ų9253.1 Ų53.140%0.40427%0.27SS..EExtended strand (participates in β ladder)trans-120.1142.2172.5-55.3-83.8000109.3E301 I309 V310 I312E301-F303 HydrophobicContact CB-CE2 3.91Å; E301-F303 HydrophobicContact CB-CZ 4.3Å; F303-I309 CarbonylContact O-C 3.54Å; F303-I309 WeakPolarHBondContact O-CA 3.48Å; F303-V310 HydrophobicContact CB-CB 4.3Å; F303-V310 HydrophobicContact CD2-CB 4.49Å; F303-V310 PolarHBondContact N-O 2.82Å; F303-V310 PolarHBondContact O-N 2.85Å; F303-I312 HydrophobicContact CE2-CD1 4.1Å
304F96.5Very high92.7Very high10 Ų1053.8 Ų53.84%0.04427%0.267CS..EExtended strand (participates in β ladder)trans-131.6120.5174.1180-135000109.1E252 L255 L257 A259 L276 R306 T308 I309 L326E252-F304 HydrophobicContact CB-CD1 3.51Å; E252-F304 HydrophobicContact CB-CE1 3.94Å; E252-F304 HydrophobicContact CB-CG 4.3Å; E252-F304 HydrophobicContact CG-CD1 3.91Å; E252-F304 HydrophobicContact CG-CE1 4.21Å; E252-F304 HydrophobicContact CG-CG 4.36Å; E252-F304 WeakPolarHBondContact CG-O 3.49Å; L255-F304 HydrophobicContact CD1-CE1 4.4Å; L255-F304 HydrophobicContact CD1-CZ 4Å; L257-F304 HydrophobicContact CB-CE1 4.19Å; L257-F304 HydrophobicContact CD1-CE1 4.16Å; L257-F304 HydrophobicContact CD1-CZ 4.46Å; A259-F304 HydrophobicContact CB-CB 3.9Å; A259-F304 HydrophobicContact CB-CD1 3.78Å; A259-F304 HydrophobicContact CB-CG 4.05Å; L276-F304 HydrophobicContact CD1-CZ 4.12Å; L276-F304 HydrophobicContact CD2-CD1 4.22Å; L276-F304 HydrophobicContact CD2-CE1 3.95Å; L276-F304 HydrophobicContact CD2-CZ 4.2Å; F304-R306 WeakPolarHBondContact CE2-O 3.3Å; F304-R306 WeakPolarHBondContact CZ-O 3.28Å; F304-T308 WeakPolarHBondContact CD2-O 3.28Å; F304-I309 HydrophobicContact CD2-CD1 4.39Å; F304-I309 HydrophobicContact CD2-CG1 3.44Å; F304-I309 VanDerWaalsContact CD2-CG1 3.44Å; F304-I309 HydrophobicContact CE2-CG1 3.94Å; F304-I309 HydrophobicContact CG-CG1 4.28Å; F304-L326 HydrophobicContact CE2-CD1 3.89Å; F304-L326 HydrophobicContact CZ-CD1 4.26Å
305D95.1Very high92.6Very high98 Ų9856.4 Ų56.452%0.52428%0.279SS..EExtended strand (participates in β ladder)trans-133.7111.2178.9176.337.4000108.4D307 T308D305-D307 PolarHBondContact O-N 3.46Å; D305-T308 PolarHBondContact N-O 3.43Å; D305-T308 PolarHBondContact O-N 3.44Å
306R92.6Very high92.6Very high138 Ų13856 Ų5652%0.52129%0.289SS..THydrogen-bonded Turntrans48.9-95.3-174.2-64.7178.3144.5133.924.1114.5E252 E254 L255 F304E252-R306 PolarHBondContact OE1-N 2.99Å; E254-R306 IonicContact OE1-CZ 3.55Å; E254-R306 IonicContact OE1-NE 3.98Å; E254-R306 IonicContact OE1-NH2 2.96Å; E254-R306 PolarHBondContact OE1-NH2 3.36Å; E254-R306 VanDerWaalsContact OE2-CD 3.29Å; E254-R306 WeakPolarHBondContact OE2-CD 3.28Å; E254-R306 WeakPolarHBondContact OE2-CG 3.28Å; E254-R306 IonicContact OE2-CZ 2.86Å; E254-R306 IonicContact OE2-NE 2.57Å; E254-R306 PolarHBondContact OE2-NE 2.77Å; E254-R306 IonicContact OE2-NH1 3.94Å; E254-R306 IonicContact OE2-NH2 2.67Å; E254-R306 PolarHBondContact OE2-NH2 3.07Å; L255-R306 WeakPolarHBondContact CD1-O 3.46Å; F304-R306 WeakPolarHBondContact CE2-O 3.3Å; F304-R306 WeakPolarHBondContact CZ-O 3.28Å
307D93.7Very high93Very high60 Ų6058.2 Ų58.232%0.32131%0.312SS..THydrogen-bonded Turntrans-111.37.5-175.168.1-24.7000112.1D305 K325 L326D305-D307 PolarHBondContact O-N 3.46Å; D307-K325 CarbonylContact O-C 3.47Å; D307-K325 IonicContact OD1-NZ 2.67Å; D307-K325 PolarHBondContact OD1-NZ 3.37Å; D307-K325 WeakPolarHBondContact OD2-CD 3.25Å; D307-K325 WeakPolarHBondContact OD2-CE 3.43Å; D307-K325 IonicContact OD2-NZ 2.89Å; D307-K325 PolarHBondContact OD2-NZ 2.76Å; D307-L326 HydrophobicContact CB-CB 4.3Å; D307-L326 WeakPolarHBondContact O-CB 3.46Å; D307-L326 PolarHBondContact O-N 3.46Å
308T96.2Very high93.4Very high29 Ų2959.4 Ų59.418%0.17831%0.31CS..EExtended strand (participates in β ladder)trans-118.8122.3-175-48.80000110F304 D305 V310 V323 Y324 K325F304-T308 WeakPolarHBondContact CD2-O 3.28Å; D305-T308 PolarHBondContact N-O 3.43Å; D305-T308 PolarHBondContact O-N 3.44Å; T308-V310 HydrophobicContact CG2-CG2 4.17Å; T308-V323 HydrophobicContact CG2-CG1 3.85Å; T308-Y324 WeakPolarHBondContact CA-O 3.32Å; T308-K325 WeakPolarHBondContact OG1-CD 3.28Å; T308-K325 PolarHBondContact OG1-NZ 2.71Å
309I96.9Very high93.7Very high0 Ų062 Ų620%032%0.323CS..EExtended strand (participates in β ladder)trans-106130.4170.2-60.5163.8000107.3V274 I288 L302 F303 F304 Y324 L326V274-I309 HydrophobicContact CG1-CD1 4.25Å; I288-I309 HydrophobicContact CD1-CD1 4.05Å; L302-I309 HydrophobicContact CD1-CG2 3.61Å; L302-I309 HydrophobicContact CG-CG2 4.4Å; F303-I309 CarbonylContact O-C 3.54Å; F303-I309 WeakPolarHBondContact O-CA 3.48Å; F304-I309 HydrophobicContact CD2-CD1 4.39Å; F304-I309 HydrophobicContact CD2-CG1 3.44Å; F304-I309 VanDerWaalsContact CD2-CG1 3.44Å; F304-I309 HydrophobicContact CE2-CG1 3.94Å; F304-I309 HydrophobicContact CG-CG1 4.28Å; I309-Y324 PolarHBondContact N-O 3.1Å; I309-Y324 PolarHBondContact O-N 3.19Å; I309-L326 HydrophobicContact CD1-CD1 4.39Å; I309-L326 HydrophobicContact CD1-CD2 4.29Å; I309-L326 HydrophobicContact CD1-CG 4.5Å
310V97.1Very high93.9Very high35 Ų3560.2 Ų60.221%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-118.4120175.5-177.20000107.9L302 F303 T308 I312 V323L302-V310 CarbonylContact C-O 3.38Å; L302-V310 WeakPolarHBondContact CA-O 3.25Å; F303-V310 HydrophobicContact CB-CB 4.3Å; F303-V310 HydrophobicContact CD2-CB 4.49Å; F303-V310 PolarHBondContact N-O 2.82Å; F303-V310 PolarHBondContact O-N 2.85Å; T308-V310 HydrophobicContact CG2-CG2 4.17Å; V310-I312 HydrophobicContact CG1-CD1 4.4Å; V310-I312 HydrophobicContact CG1-CG1 4.04Å; V310-V323 HydrophobicContact CG1-CG2 4.46Å; V310-V323 HydrophobicContact CG2-CG1 4.44Å; V310-V323 HydrophobicContact CG2-CG2 4.43Å
311H96.4Very high94Very high0 Ų062.7 Ų62.70%033%0.331CS..EExtended strand (participates in β ladder)trans-109.8127.5171.7168.1-139.8000109.1E292 W294 H300 E301 L302 C321 H322E292-H311 IonicContact OE1-CE1 3.35Å; E292-H311 IonicContact OE1-CG 3.68Å; E292-H311 IonicContact OE1-ND1 2.65Å; E292-H311 PolarHBondContact OE1-ND1 3.15Å; W294-H311 AromaticContact CZ3-CE1 3.99Å; W294-H311 AromaticContact CZ3-NE2 3.72Å; H300-H311 AromaticContact CE1-NE2 3.81Å; H300-H311 AromaticContact CG-NE2 3.8Å; H300-H311 AromaticContact ND1-CE1 3.61Å; H300-H311 AromaticContact ND1-NE2 2.87Å; H300-H311 PolarHBondContact ND1-NE2 2.98Å; E301-H311 WeakPolarHBondContact O-CA 3.41Å; E301-H311 PolarHBondContact O-CD2 3.28Å; L302-H311 HydrophobicContact CD1-CB 4.08Å; H311-C321 WeakPolarHBondContact O-CA 3.41Å; H311-H322 HydrophobicContact CB-CB 4.42Å; H311-H322 PolarHBondContact N-O 3.27Å; H311-H322 AromaticContact ND1-CD2 3.82Å; H311-H322 PolarHBondContact O-N 2.93Å
312I95.4Very high94Very high43 Ų4360.1 Ų60.122%0.22132%0.319CS..EExtended strand (participates in β ladder)trans-117.9127.4176.4-53.8179.5000108.4H300 E301 F303 V310 F319 C320 C321H300-I312 CarbonylContact C-O 3.48Å; H300-I312 WeakPolarHBondContact CA-O 3.42Å; E301-I312 HydrophobicContact CB-CB 4.38Å; E301-I312 PolarHBondContact N-O 2.72Å; E301-I312 PolarHBondContact O-N 2.67Å; F303-I312 HydrophobicContact CE2-CD1 4.1Å; V310-I312 HydrophobicContact CG1-CD1 4.4Å; V310-I312 HydrophobicContact CG1-CG1 4.04Å; I312-F319 HydrophobicContact CG2-CD1 4.23Å; I312-C320 WeakPolarHBondContact CA-O 3.39Å; I312-C321 HydrophobicContact CG1-CB 4.45Å
313E94.2Very high94.1Very high3 Ų364.1 Ų64.11%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-118.4138.917361.9177.4169.300110.1P299 K315 F319 C320 H322P299-E313 WeakPolarHBondContact O-CA 3.5Å; E313-K315 WeakPolarHBondContact OE1-CE 3.23Å; E313-K315 IonicContact OE1-NZ 2.7Å; E313-K315 PolarHBondContact OE1-NZ 3.2Å; E313-K315 WeakPolarHBondContact OE2-CE 3.35Å; E313-K315 IonicContact OE2-NZ 2.87Å; E313-K315 PolarHBondContact OE2-NZ 2.79Å; E313-F319 WeakPolarHBondContact O-CA 3.19Å; E313-C320 HydrophobicContact CG-CB 3.66Å; E313-C320 PolarHBondContact N-O 2.83Å; E313-C320 PolarHBondContact O-N 3.41Å; E313-H322 IonicContact OE1-CD2 3.96Å; E313-H322 IonicContact OE1-CE1 3.85Å; E313-H322 IonicContact OE1-NE2 2.94Å; E313-H322 PolarHBondContact OE1-NE2 2.8Å
314Q92.5Very high94.1Very high71 Ų7161.4 Ų61.433%0.33233%0.331SS..EExtended strand (participates in β ladder)trans-104.898177.8-173.2-175.2-15.800111.5Y298 P299 G316 Q318 F319Y298-Q314 WeakPolarHBondContact CB-O 3.47Å; Y298-Q314 WeakPolarHBondContact CD1-O 3.34Å; P299-Q314 HydrophobicContact CB-CB 4.32Å; P299-Q314 HydrophobicContact CG-CB 4.31Å; P299-Q314 PolarHBondContact O-N 2.72Å; Q314-G316 PolarHBondContact NE2-O 2.76Å; Q314-G316 PolarHBondContact O-N 3.35Å; Q314-G316 VanDerWaalsContact O-N 3.15Å; Q314-Q318 CarbonylContact C-O 3.51Å; Q314-F319 HydrophobicContact CB-CD1 3.96Å; Q314-F319 HydrophobicContact CB-CE1 3.79Å; Q314-F319 HydrophobicContact CG-CD1 3.97Å; Q314-F319 HydrophobicContact CG-CE1 3.56Å; Q314-F319 HydrophobicContact CG-CE2 4.4Å; Q314-F319 HydrophobicContact CG-CZ 3.8Å
315K88.8Confident94Very high67 Ų6766.7 Ų66.729%0.29135%0.354SS..EExtended strand (participates in β ladder)trans-86.681176.3-70.1177.9168.3150.80110.6Y298 E313 S317 Q318Y298-K315 HydrophobicContact CD1-CG 4.46Å; Y298-K315 HydrophobicContact CD2-CG 3.87Å; Y298-K315 HydrophobicContact CE1-CB 4.45Å; Y298-K315 HydrophobicContact CE1-CG 4.47Å; Y298-K315 HydrophobicContact CE2-CG 3.91Å; Y298-K315 HydrophobicContact CG-CG 4.18Å; E313-K315 WeakPolarHBondContact OE1-CE 3.23Å; E313-K315 IonicContact OE1-NZ 2.7Å; E313-K315 PolarHBondContact OE1-NZ 3.2Å; E313-K315 WeakPolarHBondContact OE2-CE 3.35Å; E313-K315 IonicContact OE2-NZ 2.87Å; E313-K315 PolarHBondContact OE2-NZ 2.79Å; K315-S317 PolarHBondContact O-N 3.4Å; K315-S317 VanDerWaalsContact O-N 3.14Å; K315-Q318 PolarHBondContact N-O 3.27Å; K315-Q318 PolarHBondContact O-N 2.89Å; K315-Q318 VanDerWaalsContact O-N 3.15Å
316G86.4Confident93.8Very high51 Ų5163.2 Ų63.253%0.52634%0.336SS..THydrogen-bonded Turntrans67.8-107-17700000112Q314Q314-G316 PolarHBondContact NE2-O 2.76Å; Q314-G316 PolarHBondContact O-N 3.35Å; Q314-G316 VanDerWaalsContact O-N 3.15Å
317S88.6Confident93.6Very high112 Ų11266.4 Ų66.478%0.78335%0.348SS*.THydrogen-bonded Turntrans-95.7-4.6176.5610000114.1K315K315-S317 PolarHBondContact O-N 3.4Å; K315-S317 VanDerWaalsContact O-N 3.14Å
318Q92.9Very high92.7Very high135 Ų13569.8 Ų69.863%0.63137%0.37SS*.EExtended strand (participates in β ladder)trans-103.2143.8179.6-66.3-176.8-16.800110.5Q314 K315Q314-Q318 CarbonylContact C-O 3.51Å; K315-Q318 PolarHBondContact N-O 3.27Å; K315-Q318 PolarHBondContact O-N 2.89Å; K315-Q318 VanDerWaalsContact O-N 3.15Å
319F94Very high91.5Very high136 Ų13675 Ų7560%0.59640%0.396SS*.EExtended strand (participates in β ladder)trans-109.6131172.1-66.9-91.4000108.6I312 E313 Q314I312-F319 HydrophobicContact CG2-CD1 4.23Å; E313-F319 WeakPolarHBondContact O-CA 3.19Å; Q314-F319 HydrophobicContact CB-CD1 3.96Å; Q314-F319 HydrophobicContact CB-CE1 3.79Å; Q314-F319 HydrophobicContact CG-CD1 3.97Å; Q314-F319 HydrophobicContact CG-CE1 3.56Å; Q314-F319 HydrophobicContact CG-CE2 4.4Å; Q314-F319 HydrophobicContact CG-CZ 3.8Å
320C93.9Very high89.6Confident40 Ų4081.2 Ų81.227%0.2743%0.434SS..EExtended strand (participates in β ladder)trans-110.5134.5169.9-61.50000108.4I312 E313I312-C320 WeakPolarHBondContact CA-O 3.39Å; E313-C320 HydrophobicContact CG-CB 3.66Å; E313-C320 PolarHBondContact N-O 2.83Å; E313-C320 PolarHBondContact O-N 3.41Å
321C96Very high87.1Confident79 Ų7992.2 Ų92.253%0.53448%0.479SS..EExtended strand (participates in β ladder)trans-122.9119.1-178.81790000108.7H311 I312H311-C321 WeakPolarHBondContact O-CA 3.41Å; I312-C321 HydrophobicContact CG1-CB 4.45Å
322H95.8Very high86.6Confident52 Ų5296.9 Ų96.924%0.24150%0.503CS..EExtended strand (participates in β ladder)trans-110.5125.2-179.2-54.9-79.5000108.3E292 H311 E313 Y324E292-H322 IonicContact OE2-CG 3.61Å; E292-H322 IonicContact OE2-ND1 3.79Å; H311-H322 HydrophobicContact CB-CB 4.42Å; H311-H322 PolarHBondContact N-O 3.27Å; H311-H322 AromaticContact ND1-CD2 3.82Å; H311-H322 PolarHBondContact O-N 2.93Å; E313-H322 IonicContact OE1-CD2 3.96Å; E313-H322 IonicContact OE1-CE1 3.85Å; E313-H322 IonicContact OE1-NE2 2.94Å; E313-H322 PolarHBondContact OE1-NE2 2.8Å; H322-Y324 HydrophobicContact CB-CE2 3.95Å
323V96.8Very high86.2Confident96 Ų9699.7 Ų99.758%0.58252%0.518SS*.EExtended strand (participates in β ladder)trans-121.2120.6-173.5-1760000109.8T308 V310T308-V323 HydrophobicContact CG2-CG1 3.85Å; V310-V323 HydrophobicContact CG1-CG2 4.46Å; V310-V323 HydrophobicContact CG2-CG1 4.44Å; V310-V323 HydrophobicContact CG2-CG2 4.43Å
324Y95.9Very high85.7Confident34 Ų34105.1 Ų105.113%0.13355%0.546CS..EExtended strand (participates in β ladder)trans-110.2130.9-179.9-64.4-96.7000109.8L290 D291 E292 T308 I309 H322L290-Y324 WeakPolarHBondContact CA-OH 3.46Å; L290-Y324 HydrophobicContact CD2-CD2 4.22Å; L290-Y324 HydrophobicContact CD2-CE1 4.38Å; L290-Y324 HydrophobicContact CD2-CE2 3.64Å; D291-Y324 PolarHBondContact N-OH 3.08Å; E292-Y324 PolarHBondContact OE2-OH 3.15Å; T308-Y324 WeakPolarHBondContact CA-O 3.32Å; I309-Y324 PolarHBondContact N-O 3.1Å; I309-Y324 PolarHBondContact O-N 3.19Å; H322-Y324 HydrophobicContact CB-CE2 3.95Å
325K94.6Very high85.3Confident121 Ų121107.1 Ų107.153%0.52656%0.559SS.*EExtended strand (participates in β ladder)trans-112.3112176.2-165.664.1155.7175.20110D307 T308 R327D307-K325 CarbonylContact O-C 3.47Å; D307-K325 IonicContact OD1-NZ 2.67Å; D307-K325 PolarHBondContact OD1-NZ 3.37Å; D307-K325 WeakPolarHBondContact OD2-CD 3.25Å; D307-K325 WeakPolarHBondContact OD2-CE 3.43Å; D307-K325 IonicContact OD2-NZ 2.89Å; D307-K325 PolarHBondContact OD2-NZ 2.76Å; T308-K325 WeakPolarHBondContact OG1-CD 3.28Å; T308-K325 PolarHBondContact OG1-NZ 2.71Å; K325-R327 PolarHBondContact O-N 2.97Å
326L91.2Very high85.1Confident26 Ų26109.6 Ų109.614%0.13658%0.575CS.*  trans-70.7116.2176.6-58.2-179.6000109.1L276 I288 F304 D307 I309L276-L326 HydrophobicContact CD1-CD1 3.95Å; I288-L326 HydrophobicContact CD1-CD2 3.99Å; I288-L326 HydrophobicContact CG1-CD2 3.86Å; F304-L326 HydrophobicContact CE2-CD1 3.89Å; F304-L326 HydrophobicContact CZ-CD1 4.26Å; D307-L326 HydrophobicContact CB-CB 4.3Å; D307-L326 WeakPolarHBondContact O-CB 3.46Å; D307-L326 PolarHBondContact O-N 3.46Å; I309-L326 HydrophobicContact CD1-CD1 4.39Å; I309-L326 HydrophobicContact CD1-CD2 4.29Å; I309-L326 HydrophobicContact CD1-CG 4.5Å
327R87.8Confident85Confident205 Ų205113.5 Ų113.577%0.77458%0.579SS**  trans-91132.5174.9-61.9-173.9-177.3-168.41110.3K325 I329K325-R327 PolarHBondContact O-N 2.97Å; R327-I329 PolarHBondContact O-N 2.93Å
328T75.9Confident84.8Confident130 Ų130113.6 Ų113.680%0.79856%0.564SS**  trans-71.3113.9165.3-35.90000107.7T330T328-T330 PolarHBondContact O-N 3.04Å
329I70.7Confident84.2Confident138 Ų138111.9 Ų111.971%0.70856%0.559SS**  trans-83.694.2168.7-57.2171.8000105.5R327 K331R327-I329 PolarHBondContact O-N 2.93Å; I329-K331 PolarHBondContact O-N 3.11Å; I329-K331 VanDerWaalsContact O-N 3.08Å
330T55.9Low83.3Confident132 Ų132109.9 Ų109.981%0.8156%0.556SS**  trans-62.2108161.827.60000107.1T328T328-T330 PolarHBondContact O-N 3.04Å
331K45.4Very low82.4Confident266 Ų266116.3 Ų116.3100%1.15758%0.582SS**  trans-75.80171.1-90-174.61761790110.9I329I329-K331 PolarHBondContact O-N 3.11Å; I329-K331 VanDerWaalsContact O-N 3.08Å

Retrieved 331 of 331 residues in 370.3 ms (Link to these results)

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