A0A077Z3X5_TRITR Loading...

holo-[acyl-carrier-protein] synthase

AlphaFold DB , UniProt , Accession A0A077Z3X5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M84.2Confident90.7Very high31 Ų3126.6 Ų26.615%0.15315%0.148CC..  0132.40179.1171.945.300112.8E96 V199 P201 A202 E204M1-E96 WeakPolarHBondContact CA-OE1 3.4Å; M1-E96 HydrophobicContact CB-CB 4.32Å; M1-E96 HydrophobicContact CB-CG 4.48Å; M1-E96 WeakPolarHBondContact CB-OE1 3.49Å; M1-E96 HydrophobicContact CG-CB 3.95Å; M1-E96 PolarHBondContact N-OE1 2.83Å; M1-E96 VanDerWaalsContact N-OE1 3.15Å; M1-E96 HydrophobicContact SD-CB 4Å; M1-V199 HydrophobicContact SD-CG1 4.13Å; M1-P201 HydrophobicContact CE-CG 4.19Å; M1-A202 VanDerWaalsContact CE-C 3.47Å; M1-A202 HydrophobicContact CE-CB 3.95Å; M1-A202 WeakPolarHBondContact CE-O 3.35Å; M1-E204 HydrophobicContact CE-CG 4.03Å; M1-E204 PolarHBondContact N-OE2 3.43Å
2A93.4Very high88.1Confident27 Ų2740.6 Ų40.622%0.22321%0.211CC..EExtended strand (participates in β ladder)trans-119.6135.3173.100000110.8T95A2-T95 HydrophobicContact CB-CG2 4.16Å; A2-T95 PolarHBondContact N-OG1 2.88Å; A2-T95 PolarHBondContact O-N 3.44Å; A2-T95 PolarHBondContact O-OG1 3.23Å
3T97.1Very high85.8Confident1 Ų141.8 Ų41.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-117.1138.7173.2-49.20000109.3L93 T94 V197 V199 K205 L206 S207T3-L93 CarbonylContact C-O 3.59Å; T3-L93 WeakPolarHBondContact CA-O 3.32Å; T3-T94 PolarHBondContact OG1-OG1 2.9Å; T3-V197 HydrophobicContact CG2-CG1 3.97Å; T3-V199 HydrophobicContact CG2-CG2 3.76Å; T3-K205 PolarHBondContact N-O 3.02Å; T3-L206 HydrophobicContact CG2-CD1 3.93Å; T3-L206 VanDerWaalsContact O-CA 3.3Å; T3-L206 WeakPolarHBondContact O-CA 3.47Å; T3-S207 PolarHBondContact O-N 3.17Å
4H97.9Very high84.1Confident22 Ų2244.8 Ų44.810%0.10225%0.25CS..EExtended strand (participates in β ladder)trans-121.9132.9179.1-60.5-101.8000108.5L53 A92 L93 S207 W209H4-L53 HydrophobicContact CB-CD1 4.06Å; H4-L53 WeakPolarHBondContact CE1-CD2 3.11Å; H4-L53 WeakPolarHBondContact ND1-CD2 3.48Å; H4-A92 CarbonylContact O-C 3.5Å; H4-A92 WeakPolarHBondContact O-CA 3.49Å; H4-L93 PolarHBondContact N-O 3.14Å; H4-L93 PolarHBondContact O-N 2.99Å; H4-S207 CarbonylContact C-O 3.58Å; H4-S207 WeakPolarHBondContact CA-O 3.46Å; H4-W209 AromaticContact CG-NE1 3.87Å; H4-W209 AromaticContact ND1-CE2 3.82Å; H4-W209 AromaticContact ND1-NE1 3.12Å; H4-W209 PolarHBondContact ND1-NE1 3.42Å; H4-W209 VanDerWaalsContact ND1-NE1 3.12Å
5F98Very high83Confident0 Ų042.4 Ų42.40%024%0.237CC..EExtended strand (participates in β ladder)trans-117.2112.1167.2167.4-142.5000108.2R7 V91 L101 M103 W195 V197 L206 S207 V208 W209F5-R7 HydrophobicContact CE2-CB 4.15Å; F5-R7 HydrophobicContact CZ-CB 4.12Å; F5-V91 CarbonylContact C-O 3.55Å; F5-V91 WeakPolarHBondContact CA-O 3.32Å; F5-L101 HydrophobicContact CD2-CD1 3.73Å; F5-L101 HydrophobicContact CD2-CD2 3.94Å; F5-L101 HydrophobicContact CE2-CD1 3.68Å; F5-L101 HydrophobicContact CE2-CD2 3.81Å; F5-L101 HydrophobicContact CE2-CG 4.42Å; F5-L101 HydrophobicContact CG-CD1 4.3Å; F5-L101 HydrophobicContact CZ-CD1 4.18Å; F5-M103 HydrophobicContact CE2-SD 3.94Å; F5-M103 HydrophobicContact CZ-CG 4.34Å; F5-M103 HydrophobicContact CZ-SD 3.91Å; F5-W195 AromaticContact CD1-CD2 3.88Å; F5-W195 HydrophobicContact CD1-CD2 3.88Å; F5-W195 AromaticContact CD1-CE3 3.76Å; F5-W195 HydrophobicContact CD1-CE3 3.76Å; F5-W195 HydrophobicContact CD1-CG 4.38Å; F5-W195 HydrophobicContact CD1-CZ3 4.12Å; F5-W195 HydrophobicContact CE1-CB 3.9Å; F5-W195 AromaticContact CE1-CD2 3.47Å; F5-W195 HydrophobicContact CE1-CD2 3.47Å; F5-W195 VanDerWaalsContact CE1-CD2 3.47Å; F5-W195 AromaticContact CE1-CE2 3.97Å; F5-W195 AromaticContact CE1-CE3 3.81Å; F5-W195 HydrophobicContact CE1-CE3 3.81Å; F5-W195 AromaticContact CE1-CG 3.52Å; F5-W195 HydrophobicContact CE1-CG 3.52Å; F5-W195 HydrophobicContact CZ-CB 4.07Å; F5-W195 HydrophobicContact CZ-CD2 4.49Å; F5-W195 HydrophobicContact CZ-CG 4.17Å; F5-V197 HydrophobicContact CB-CG2 3.97Å; F5-V197 HydrophobicContact CD1-CG2 4.41Å; F5-V197 HydrophobicContact CG-CG2 4.15Å; F5-L206 HydrophobicContact CB-CD1 4.06Å; F5-S207 PolarHBondContact N-O 2.85Å; F5-V208 HydrophobicContact CD1-CG1 3.71Å; F5-V208 HydrophobicContact CD1-CG2 4.48Å; F5-V208 HydrophobicContact CE1-CG1 4.2Å; F5-V208 HydrophobicContact CG-CG1 4.41Å; F5-V208 CarbonylContact O-C 3.58Å; F5-V208 VanDerWaalsContact O-CA 3.29Å; F5-V208 WeakPolarHBondContact O-CA 3.46Å; F5-W209 PolarHBondContact O-N 3.11Å
6A97.2Very high82.6Confident0 Ų045.3 Ų45.30%025%0.25CS..EExtended strand (participates in β ladder)trans-103.9143.3173.900000110.5L45 L49 G90 V91 W209 W217A6-L45 HydrophobicContact CB-CD1 4.18Å; A6-L45 HydrophobicContact CB-CD2 4.49Å; A6-L45 HydrophobicContact CB-CG 4.39Å; A6-L49 HydrophobicContact CB-CD1 4.13Å; A6-L49 HydrophobicContact CB-CD2 3.91Å; A6-L49 HydrophobicContact CB-CG 4.48Å; A6-G90 CarbonylContact O-C 3.54Å; A6-G90 VanDerWaalsContact O-CA 3.25Å; A6-G90 WeakPolarHBondContact O-CA 2.94Å; A6-V91 PolarHBondContact N-O 2.98Å; A6-V91 PolarHBondContact O-N 3.37Å; A6-W209 CarbonylContact C-O 3.54Å; A6-W209 WeakPolarHBondContact CA-O 3.23Å; A6-W209 HydrophobicContact CB-CB 4.2Å; A6-W217 HydrophobicContact CB-CH2 3.87Å; A6-W217 HydrophobicContact CB-CZ3 3.74Å
7R95.7Very high82.9Confident20 Ų2042.9 Ų42.98%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-134.7154.5171.770.4-169.1-171.7-172.75.3111.8F5 M88 V89 E190 W209 E210 L211F5-R7 HydrophobicContact CE2-CB 4.15Å; F5-R7 HydrophobicContact CZ-CB 4.12Å; R7-M88 HydrophobicContact CB-CE 4.45Å; R7-M88 HydrophobicContact CG-CE 4.26Å; R7-V89 CarbonylContact C-O 3.47Å; R7-V89 VanDerWaalsContact CA-O 3.23Å; R7-V89 WeakPolarHBondContact CA-O 3.28Å; R7-E190 IonicContact CZ-OE1 2.78Å; R7-E190 IonicContact CZ-OE2 3.75Å; R7-E190 VanDerWaalsContact CZ-OE2 3.25Å; R7-E190 IonicContact NH1-OE1 3.81Å; R7-E190 PolarHBondContact NH1-OE1 2.82Å; R7-E190 IonicContact NH1-OE2 3.78Å; R7-E190 PolarHBondContact NH1-OE2 2.74Å; R7-E190 IonicContact NH2-OE1 3.25Å; R7-E190 IonicContact NH2-OE2 2.85Å; R7-E190 PolarHBondContact NH2-OE2 2.87Å; R7-W209 PolarHBondContact N-O 3.09Å; R7-E210 HydrophobicContact CG-CG 4.48Å; R7-E210 IonicContact CZ-OE1 2.81Å; R7-E210 IonicContact NE-OE1 3.92Å; R7-E210 PolarHBondContact NE-OE1 3.32Å; R7-E210 IonicContact NH2-OE1 3.6Å; R7-E210 WeakPolarHBondContact O-CA 3.3Å; R7-L211 PolarHBondContact O-N 3.17Å
8G92.7Very high83.3Confident2 Ų247.9 Ų47.92%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-151.4163.4175.700000111.2M88 V89G8-M88 WeakPolarHBondContact O-CA 3.41Å; G8-V89 PolarHBondContact N-O 2.92Å; G8-V89 PolarHBondContact O-N 2.79Å
9I88.5Confident83.9Confident84 Ų8448.1 Ų48.143%0.43127%0.265SS..EExtended strand (participates in β ladder)trans-100.7131.7178.9-60.9175.8000109.5T11 L15 N87I9-T11 VanDerWaalsContact C-N 3.32Å; I9-T11 HydrophobicContact CG2-CG2 4.28Å; I9-T11 PolarHBondContact O-N 3.07Å; I9-L15 VanDerWaalsContact O-CD1 3.27Å; I9-L15 WeakPolarHBondContact O-CD1 3.46Å; I9-N87 WeakPolarHBondContact CG2-ND2 3.46Å
10L81.5Confident84.4Confident36 Ų3646.4 Ų46.419%0.18826%0.255CS..  trans-7483.3170.7-55.8169.6000109L15 R38 A41 N87 V89L10-L15 HydrophobicContact CD2-CD1 4.04Å; L10-R38 HydrophobicContact CD1-CG 3.67Å; L10-A41 HydrophobicContact CD2-CB 2.96Å; L10-A41 HydrophobicContact CG-CB 4.46Å; L10-N87 WeakPolarHBondContact CA-O 3.35Å; L10-N87 HydrophobicContact CB-CB 4.34Å; L10-N87 WeakPolarHBondContact CB-O 3.49Å; L10-N87 WeakPolarHBondContact CG-O 3.45Å; L10-N87 PolarHBondContact N-O 3.48Å; L10-V89 HydrophobicContact CD2-CB 4.31Å; L10-V89 HydrophobicContact CD2-CG1 4.13Å
11T71.4Confident84.9Confident70 Ų7045.1 Ų45.143%0.42925%0.249SC..  trans-98.1144161.631.10000109I9 G13 H14I9-T11 VanDerWaalsContact C-N 3.32Å; I9-T11 HydrophobicContact CG2-CG2 4.28Å; I9-T11 PolarHBondContact O-N 3.07Å; T11-G13 PolarHBondContact O-N 3.24Å; T11-G13 VanDerWaalsContact O-N 3.11Å; T11-H14 PolarHBondContact O-N 2.79Å; T11-H14 VanDerWaalsContact OG1-CB 3.26Å; T11-H14 WeakPolarHBondContact OG1-CB 3.14Å
12E59.8Low85.4Confident194 Ų19447.7 Ų47.791%0.90727%0.271SS*.THydrogen-bonded Turntrans-48.6122.5-177.3-71.3-174.5167.300110.9H14E12-H14 VanDerWaalsContact C-N 3.27Å; E12-H14 PolarHBondContact O-N 3.1Å; E12-H14 PolarHBondContact O-ND1 3.4Å
13G58Low85.4Confident56 Ų5650.8 Ų50.858%0.57728%0.28SS*.THydrogen-bonded Turntrans76.3-12.6179.800000117.4T11 L15T11-G13 PolarHBondContact O-N 3.24Å; T11-G13 VanDerWaalsContact O-N 3.11Å; G13-L15 PolarHBondContact O-N 3.47Å
14H62.1Low85.3Confident84 Ų8451.2 Ų51.239%0.38928%0.283SS..THydrogen-bonded Turntrans-83.6-4.1-166.5-78.766.8000115.7T11 E12 G213T11-H14 PolarHBondContact O-N 2.79Å; T11-H14 VanDerWaalsContact OG1-CB 3.26Å; T11-H14 WeakPolarHBondContact OG1-CB 3.14Å; E12-H14 VanDerWaalsContact C-N 3.27Å; E12-H14 PolarHBondContact O-N 3.1Å; E12-H14 PolarHBondContact O-ND1 3.4Å; H14-G213 PolarHBondContact CD2-O 3.04Å
15L67.7Low85Confident9 Ų953 Ų535%0.04729%0.291CS..THydrogen-bonded Turntrans-126.120.3176.9-70.8174.6000113.3I9 L10 G13 S17 A41 V89 L211I9-L15 VanDerWaalsContact O-CD1 3.27Å; I9-L15 WeakPolarHBondContact O-CD1 3.46Å; L10-L15 HydrophobicContact CD2-CD1 4.04Å; G13-L15 PolarHBondContact O-N 3.47Å; L15-S17 PolarHBondContact O-N 2.93Å; L15-S17 VanDerWaalsContact O-N 3.16Å; L15-A41 HydrophobicContact CB-CB 3.69Å; L15-A41 HydrophobicContact CD1-CB 3.92Å; L15-A41 HydrophobicContact CG-CB 4.48Å; L15-V89 HydrophobicContact CD1-CG1 3.64Å; L15-L211 HydrophobicContact CD2-CD2 3.75Å; L15-L211 HydrophobicContact CD2-CG 4.45Å
16I77.1Confident84.9Confident89 Ų8958 Ų5846%0.45632%0.315SS..  trans-84.388.9170.1-56.2179.9000107.5
17S86.2Confident84.7Confident4 Ų461.3 Ų61.33%0.02833%0.33CS..  trans-65.2138.7176.21680000111L15 R19 L20 E48L15-S17 PolarHBondContact O-N 2.93Å; L15-S17 VanDerWaalsContact O-N 3.16Å; S17-R19 PolarHBondContact O-N 3.48Å; S17-R19 WeakPolarHBondContact OG-CB 3.35Å; S17-R19 PolarHBondContact OG-N 3.26Å; S17-L20 WeakPolarHBondContact O-CB 3.45Å; S17-L20 PolarHBondContact O-N 2.81Å; S17-E48 VanDerWaalsContact CB-OE1 3.31Å; S17-E48 WeakPolarHBondContact CB-OE1 3.32Å; S17-E48 PolarHBondContact OG-OE1 3.28Å
18V90.8Very high84.6Confident133 Ų13360.4 Ų60.481%0.80633%0.327SS*.THydrogen-bonded Turntrans-65.9-11.3171-61.60000113.3L20V18-L20 VanDerWaalsContact C-N 3.31Å
19R93.9Very high84.6Confident51 Ų5169.1 Ų69.119%0.19236%0.36CS..THydrogen-bonded Turntrans-936.3179.7-54177.5174.856.76.7111.9S17 A47 E48 F51 G57 E58 L59S17-R19 PolarHBondContact O-N 3.48Å; S17-R19 WeakPolarHBondContact OG-CB 3.35Å; S17-R19 PolarHBondContact OG-N 3.26Å; R19-A47 HydrophobicContact CB-CB 4Å; R19-E48 IonicContact CZ-OE1 3.3Å; R19-E48 IonicContact CZ-OE2 3.39Å; R19-E48 IonicContact NE-OE2 2.64Å; R19-E48 IonicContact NH1-OE1 3.81Å; R19-E48 PolarHBondContact NH1-OE1 2.65Å; R19-E48 IonicContact NH1-OE2 3.44Å; R19-E48 PolarHBondContact NH1-OE2 3.18Å; R19-F51 VanDerWaalsContact NE-CD2 3.34Å; R19-G57 WeakPolarHBondContact CB-O 3.43Å; R19-G57 VanDerWaalsContact CG-O 3.29Å; R19-G57 WeakPolarHBondContact CG-O 3.41Å; R19-E58 CarbonylContact O-C 3.54Å; R19-E58 WeakPolarHBondContact O-CA 3.46Å; R19-L59 PolarHBondContact O-N 3.1Å
20L94.7Very high84.9Confident15 Ų1572.1 Ų72.18%0.07938%0.377CS..  trans-76.8125.4173.5-75.2179.5000110.4S17 V18 C24 L40 R43 A47 L59S17-L20 WeakPolarHBondContact O-CB 3.45Å; S17-L20 PolarHBondContact O-N 2.81Å; V18-L20 VanDerWaalsContact C-N 3.31Å; L20-C24 HydrophobicContact CD2-CB 4.28Å; L20-L40 HydrophobicContact CD1-CD2 4.4Å; L20-R43 HydrophobicContact CD2-CB 3.5Å; L20-R43 VanDerWaalsContact CD2-CB 3.5Å; L20-A47 HydrophobicContact CD2-CB 4.43Å; L20-L59 HydrophobicContact CD2-CD2 3.98Å
21P96Very high85.4Confident19 Ų1972.2 Ų72.212%0.12338%0.377CS..  trans-61.9149.5171.324-32.8000109.8Q23 C24 E58 L59P21-Q23 PolarHBondContact O-N 2.99Å; P21-Q23 VanDerWaalsContact O-N 3.07Å; P21-C24 HydrophobicContact CG-CB 4.27Å; P21-C24 WeakPolarHBondContact O-CB 3.4Å; P21-C24 PolarHBondContact O-N 2.88Å; P21-E58 WeakPolarHBondContact CA-OE1 3.43Å; P21-E58 HydrophobicContact CB-CG 4.33Å; P21-E58 VanDerWaalsContact CB-OE1 3.23Å; P21-E58 WeakPolarHBondContact CB-OE1 3.31Å; P21-L59 HydrophobicContact CG-CB 4.47Å
22S93.4Very high86.4Confident86 Ų8671.8 Ų71.860%0.60138%0.375SS*.Hα-helixtrans-54.2-31174.764.10000112.7C24 H25 Q26S22-C24 VanDerWaalsContact C-N 3.33Å; S22-C24 PolarHBondContact O-N 3.25Å; S22-H25 WeakPolarHBondContact O-CB 3.23Å; S22-H25 PolarHBondContact O-N 3.34Å; S22-H25 VanDerWaalsContact O-N 3.1Å; S22-Q26 WeakPolarHBondContact O-CG 3.36Å; S22-Q26 PolarHBondContact O-N 2.85Å; S22-Q26 VanDerWaalsContact O-N 3.09Å
23Q93.9Very high87.5Confident91 Ų9167.3 Ų67.343%0.42536%0.363SS..Hα-helixtrans-59.2-38.3175.2-174.1173.2-12.500113P21 H25 Q26 E27P21-Q23 PolarHBondContact O-N 2.99Å; P21-Q23 VanDerWaalsContact O-N 3.07Å; Q23-H25 VanDerWaalsContact C-N 3.26Å; Q23-H25 PolarHBondContact O-N 2.94Å; Q23-Q26 WeakPolarHBondContact O-CB 3.42Å; Q23-Q26 PolarHBondContact O-N 3.39Å; Q23-Q26 VanDerWaalsContact O-N 3.11Å; Q23-E27 HydrophobicContact CG-CG 4.46Å; Q23-E27 PolarHBondContact NE2-OE1 2.9Å; Q23-E27 WeakPolarHBondContact O-CG 3.39Å; Q23-E27 PolarHBondContact O-N 3.27Å
24C94.4Very high88.7Confident10 Ų1071.6 Ų71.67%0.06837%0.368CS..Hα-helixtrans-60.8-37.7175.1-82.30000111.7L20 P21 S22 A28 F39L20-C24 HydrophobicContact CD2-CB 4.28Å; P21-C24 HydrophobicContact CG-CB 4.27Å; P21-C24 WeakPolarHBondContact O-CB 3.4Å; P21-C24 PolarHBondContact O-N 2.88Å; S22-C24 VanDerWaalsContact C-N 3.33Å; S22-C24 PolarHBondContact O-N 3.25Å; C24-A28 WeakPolarHBondContact O-CB 3.31Å; C24-A28 PolarHBondContact O-N 3.33Å; C24-F39 WeakPolarHBondContact O-CE1 3.32Å
25H92.8Very high89.9Confident59 Ų5974.6 Ų74.627%0.27338%0.376SS..Hα-helixtrans-70.3-34.6175.8-65.6-76.7000112.6S22 Q23 R29S22-H25 WeakPolarHBondContact O-CB 3.23Å; S22-H25 PolarHBondContact O-N 3.34Å; S22-H25 VanDerWaalsContact O-N 3.1Å; Q23-H25 VanDerWaalsContact C-N 3.26Å; Q23-H25 PolarHBondContact O-N 2.94Å; H25-R29 WeakPolarHBondContact O-CG 3.29Å; H25-R29 PolarHBondContact O-N 2.96Å
26Q94.4Very high91Very high107 Ų10776.7 Ų76.750%0.539%0.385SS..Hα-helixtrans-67.9-46.8175.2-65.5171.28.900111S22 Q23 A28 R29S22-Q26 WeakPolarHBondContact O-CG 3.36Å; S22-Q26 PolarHBondContact O-N 2.85Å; S22-Q26 VanDerWaalsContact O-N 3.09Å; Q23-Q26 WeakPolarHBondContact O-CB 3.42Å; Q23-Q26 PolarHBondContact O-N 3.39Å; Q23-Q26 VanDerWaalsContact O-N 3.11Å; Q26-A28 VanDerWaalsContact C-N 3.32Å; Q26-A28 PolarHBondContact O-N 2.88Å; Q26-R29 WeakPolarHBondContact O-CB 3.38Å; Q26-R29 PolarHBondContact O-N 2.88Å
27E94.2Very high91.6Very high68 Ų6876.6 Ų76.632%0.31839%0.392SS..Hα-helixtrans-59.1-43.7175.5-74.6178.3-15300111.6Q23 R29 N30 I31 F39Q23-E27 HydrophobicContact CG-CG 4.46Å; Q23-E27 PolarHBondContact NE2-OE1 2.9Å; Q23-E27 WeakPolarHBondContact O-CG 3.39Å; Q23-E27 PolarHBondContact O-N 3.27Å; E27-R29 VanDerWaalsContact C-N 3.25Å; E27-R29 PolarHBondContact O-N 3.09Å; E27-N30 PolarHBondContact O-N 3.14Å; E27-I31 WeakPolarHBondContact O-CG1 3.15Å; E27-F39 HydrophobicContact CB-CE1 4.05Å; E27-F39 HydrophobicContact CB-CZ 3.94Å; E27-F39 WeakPolarHBondContact OE2-CZ 3.46Å
28A93.2Very high91.8Very high2 Ų281.4 Ų81.42%0.01741%0.41CS..Hα-helixtrans-56.3-39.1177.300000112.4C24 Q26 N30 I31 Q36 F39 L40C24-A28 WeakPolarHBondContact O-CB 3.31Å; C24-A28 PolarHBondContact O-N 3.33Å; Q26-A28 VanDerWaalsContact C-N 3.32Å; Q26-A28 PolarHBondContact O-N 2.88Å; A28-N30 PolarHBondContact O-N 3.08Å; A28-I31 PolarHBondContact O-N 3.34Å; A28-I31 VanDerWaalsContact O-N 3.1Å; A28-Q36 WeakPolarHBondContact O-CG 3.41Å; A28-Q36 PolarHBondContact O-NE2 2.79Å; A28-F39 HydrophobicContact CB-CD1 3.87Å; A28-F39 HydrophobicContact CB-CE1 4.28Å; A28-L40 HydrophobicContact CB-CD1 4.01Å; A28-L40 HydrophobicContact CB-CD2 3.7Å; A28-L40 HydrophobicContact CB-CG 3.69Å
29R93.4Very high91.9Very high185 Ų18576.4 Ų76.470%0.69838%0.377SS*.Hα-helixtrans-64.2-24.8179.2-69.8170.2-174.2168.12.4113.3H25 Q26 E27 I31H25-R29 WeakPolarHBondContact O-CG 3.29Å; H25-R29 PolarHBondContact O-N 2.96Å; Q26-R29 WeakPolarHBondContact O-CB 3.38Å; Q26-R29 PolarHBondContact O-N 2.88Å; E27-R29 VanDerWaalsContact C-N 3.25Å; E27-R29 PolarHBondContact O-N 3.09Å; R29-I31 VanDerWaalsContact C-N 3.33Å
30N94.2Very high91.8Very high147 Ų14775.1 Ų75.179%0.78637%0.374SS*.THydrogen-bonded Turntrans-86.7-4.3179-62.4-30.8000113.1E27 A28E27-N30 PolarHBondContact O-N 3.14Å; A28-N30 PolarHBondContact O-N 3.08Å
31I91.6Very high91.7Very high37 Ų3774.7 Ų74.719%0.1937%0.373CS..SBendtrans-98.9148.2179.7-61.5170.6000109.1E27 A28 R29 R35 Q36 F39E27-I31 WeakPolarHBondContact O-CG1 3.15Å; A28-I31 PolarHBondContact O-N 3.34Å; A28-I31 VanDerWaalsContact O-N 3.1Å; R29-I31 VanDerWaalsContact C-N 3.33Å; I31-R35 HydrophobicContact CG2-CB 3.54Å; I31-Q36 HydrophobicContact CB-CG 4.48Å; I31-Q36 WeakPolarHBondContact O-CG 3.45Å; I31-Q36 PolarHBondContact O-NE2 3.48Å; I31-F39 HydrophobicContact CD1-CB 4.06Å; I31-F39 HydrophobicContact CD1-CD1 4.07Å; I31-F39 HydrophobicContact CD1-CD2 3.49Å; I31-F39 VanDerWaalsContact CD1-CD2 3.49Å; I31-F39 HydrophobicContact CD1-CE1 4.41Å; I31-F39 HydrophobicContact CD1-CE2 3.88Å; I31-F39 HydrophobicContact CD1-CG 3.59Å; I31-F39 HydrophobicContact CD1-CZ 4.32Å
32P91.9Very high91.6Very high62 Ų6273.9 Ų73.940%0.40337%0.367SS..  trans-49.9138.1174.9-30.936.5000113.3H34 R35 Q36P32-H34 VanDerWaalsContact C-N 3.29Å; P32-H34 VanDerWaalsContact CB-CE1 3.46Å; P32-H34 WeakPolarHBondContact CB-CE1 3.12Å; P32-H34 PolarHBondContact O-N 3.44Å; P32-H34 VanDerWaalsContact O-N 3.09Å; P32-R35 PolarHBondContact O-N 2.84Å; P32-Q36 WeakPolarHBondContact O-CG 3.49Å; P32-Q36 PolarHBondContact O-N 3.25Å
33P84.3Confident91.7Very high100 Ų10070.7 Ų70.765%0.64934%0.342SS*.Hα-helixtrans-48.3-44.5-172.5-32.736.2000114.7R35 Q36P33-R35 PolarHBondContact O-N 3.28Å; P33-R35 VanDerWaalsContact O-N 3.08Å; P33-Q36 PolarHBondContact O-N 2.91Å; P33-Q36 VanDerWaalsContact O-N 3.14Å
34H82Confident91.7Very high146 Ų14666.4 Ų66.468%0.67632%0.323SS*.Hα-helixtrans-64.8-13.2-179.768.4-86.7000114.5P32P32-H34 VanDerWaalsContact C-N 3.29Å; P32-H34 VanDerWaalsContact CB-CE1 3.46Å; P32-H34 WeakPolarHBondContact CB-CE1 3.12Å; P32-H34 PolarHBondContact O-N 3.44Å; P32-H34 VanDerWaalsContact O-N 3.09Å
35R88.2Confident91.8Very high146 Ų14666 Ų6655%0.55132%0.319SS*.Hα-helixtrans-106.1-15.5176.6-66.9-178.467.7-171.7-0.2113.3I31 P32 P33 S37 R38 F39I31-R35 HydrophobicContact CG2-CB 3.54Å; P32-R35 PolarHBondContact O-N 2.84Å; P33-R35 PolarHBondContact O-N 3.28Å; P33-R35 VanDerWaalsContact O-N 3.08Å; R35-S37 PolarHBondContact O-N 2.92Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-F39 WeakPolarHBondContact O-CB 3.48Å; R35-F39 PolarHBondContact O-N 3.22Å
36Q91.1Very high92Very high54 Ų5463.1 Ų63.125%0.25231%0.306SS..Hα-helixtrans-60.8-46.4-175.9-58.4-171.1-2.100111.5A28 I31 P32 P33 R38 F39 L40A28-Q36 WeakPolarHBondContact O-CG 3.41Å; A28-Q36 PolarHBondContact O-NE2 2.79Å; I31-Q36 HydrophobicContact CB-CG 4.48Å; I31-Q36 WeakPolarHBondContact O-CG 3.45Å; I31-Q36 PolarHBondContact O-NE2 3.48Å; P32-Q36 WeakPolarHBondContact O-CG 3.49Å; P32-Q36 PolarHBondContact O-N 3.25Å; P33-Q36 PolarHBondContact O-N 2.91Å; P33-Q36 VanDerWaalsContact O-N 3.14Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.36Å; Q36-F39 WeakPolarHBondContact O-CB 3.45Å; Q36-F39 PolarHBondContact O-N 3.13Å; Q36-L40 PolarHBondContact O-N 2.78Å
37S88.6Confident92Very high86 Ų8658.1 Ų58.160%0.60128%0.283SS*.Hα-helixtrans-60.9-42.2179.5-48.70000112R35 A41R35-S37 PolarHBondContact O-N 2.92Å; S37-A41 WeakPolarHBondContact O-CB 3.44Å; S37-A41 PolarHBondContact O-N 3.02Å
38R90.4Very high92.1Very high105 Ų10555.4 Ų55.440%0.39627%0.27SS..Hα-helixtrans-64-46.8175.6-78.8-175177.5167.81.3111.5L10 R35 Q36 A41 S42 Y84 G86L10-R38 HydrophobicContact CD1-CG 3.67Å; R35-R38 PolarHBondContact O-N 3.39Å; Q36-R38 VanDerWaalsContact C-N 3.33Å; Q36-R38 PolarHBondContact O-N 3.36Å; R38-A41 PolarHBondContact O-N 3.42Å; R38-S42 WeakPolarHBondContact O-CB 3.35Å; R38-S42 PolarHBondContact O-N 3.24Å; R38-S42 PolarHBondContact O-OG 3.29Å; R38-Y84 HydrophobicContact CB-CD1 4.09Å; R38-Y84 HydrophobicContact CB-CE1 3.63Å; R38-Y84 HydrophobicContact CG-CD1 4.04Å; R38-Y84 HydrophobicContact CG-CE1 4.11Å; R38-Y84 WeakPolarHBondContact O-CE1 3.33Å; R38-Y84 PolarHBondContact O-OH 3.23Å; R38-G86 PolarHBondContact NH2-O 3.19Å
39F92.8Very high92.2Very high28 Ų2855.3 Ų55.312%0.12327%0.269CS..Hα-helixtrans-55.9-57.1178.1177.2-92.5000110.5C24 E27 A28 I31 R35 Q36 A41 S42 R43C24-F39 WeakPolarHBondContact O-CE1 3.32Å; E27-F39 HydrophobicContact CB-CE1 4.05Å; E27-F39 HydrophobicContact CB-CZ 3.94Å; E27-F39 WeakPolarHBondContact OE2-CZ 3.46Å; A28-F39 HydrophobicContact CB-CD1 3.87Å; A28-F39 HydrophobicContact CB-CE1 4.28Å; I31-F39 HydrophobicContact CD1-CB 4.06Å; I31-F39 HydrophobicContact CD1-CD1 4.07Å; I31-F39 HydrophobicContact CD1-CD2 3.49Å; I31-F39 VanDerWaalsContact CD1-CD2 3.49Å; I31-F39 HydrophobicContact CD1-CE1 4.41Å; I31-F39 HydrophobicContact CD1-CE2 3.88Å; I31-F39 HydrophobicContact CD1-CG 3.59Å; I31-F39 HydrophobicContact CD1-CZ 4.32Å; R35-F39 WeakPolarHBondContact O-CB 3.48Å; R35-F39 PolarHBondContact O-N 3.22Å; Q36-F39 WeakPolarHBondContact O-CB 3.45Å; Q36-F39 PolarHBondContact O-N 3.13Å; F39-A41 VanDerWaalsContact C-N 3.35Å; F39-A41 PolarHBondContact O-N 2.91Å; F39-S42 PolarHBondContact O-N 3.34Å; F39-S42 PolarHBondContact O-OG 3.34Å; F39-R43 HydrophobicContact CD1-CG 4.49Å; F39-R43 HydrophobicContact CE1-CG 4.18Å; F39-R43 HydrophobicContact CZ-CG 4.2Å; F39-R43 WeakPolarHBondContact O-CG 3.46Å; F39-R43 PolarHBondContact O-N 2.82Å; F39-R43 VanDerWaalsContact O-N 3.13Å
40L93.2Very high92.4Very high25 Ų2546.5 Ų46.513%0.13124%0.236CC..Hα-helixtrans-59.4-44.4-178.3-72.2174.1000112.4L20 A28 Q36 S42 R43 G44L20-L40 HydrophobicContact CD1-CD2 4.4Å; A28-L40 HydrophobicContact CB-CD1 4.01Å; A28-L40 HydrophobicContact CB-CD2 3.7Å; A28-L40 HydrophobicContact CB-CG 3.69Å; Q36-L40 PolarHBondContact O-N 2.78Å; L40-S42 PolarHBondContact O-N 2.84Å; L40-R43 PolarHBondContact O-N 2.99Å; L40-G44 PolarHBondContact O-N 3.19Å
41A92Very high92.5Very high6 Ų643.5 Ų43.55%0.0522%0.217CC..Hα-helixtrans-68.4-34.9-179.100000113.5L10 L15 S37 R38 F39 R43 G44 L45L10-A41 HydrophobicContact CD2-CB 2.96Å; L10-A41 HydrophobicContact CG-CB 4.46Å; L15-A41 HydrophobicContact CB-CB 3.69Å; L15-A41 HydrophobicContact CD1-CB 3.92Å; L15-A41 HydrophobicContact CG-CB 4.48Å; S37-A41 WeakPolarHBondContact O-CB 3.44Å; S37-A41 PolarHBondContact O-N 3.02Å; R38-A41 PolarHBondContact O-N 3.42Å; F39-A41 VanDerWaalsContact C-N 3.35Å; F39-A41 PolarHBondContact O-N 2.91Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-G44 PolarHBondContact O-N 3.14Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 3.28Å
42S94.3Very high92.7Very high1 Ų144.6 Ų44.61%0.00722%0.222CC..Hα-helixtrans-65.7-38.7173.971.40000112.5R38 F39 L40 L46 Y84R38-S42 WeakPolarHBondContact O-CB 3.35Å; R38-S42 PolarHBondContact O-N 3.24Å; R38-S42 PolarHBondContact O-OG 3.29Å; F39-S42 PolarHBondContact O-N 3.34Å; F39-S42 PolarHBondContact O-OG 3.34Å; L40-S42 PolarHBondContact O-N 2.84Å; S42-L46 WeakPolarHBondContact O-CB 3.41Å; S42-L46 PolarHBondContact O-N 3.31Å; S42-Y84 WeakPolarHBondContact CB-OH 3.39Å; S42-Y84 PolarHBondContact OG-OH 3.01Å
43R95.5Very high92.9Very high20 Ų2044 Ų448%0.07522%0.215CC..Hα-helixtrans-67.2-41.6174-62.4-57.2-178.9-144.34.7110.4L20 F39 L40 A41 L46 A47 L59L20-R43 HydrophobicContact CD2-CB 3.5Å; L20-R43 VanDerWaalsContact CD2-CB 3.5Å; F39-R43 HydrophobicContact CD1-CG 4.49Å; F39-R43 HydrophobicContact CE1-CG 4.18Å; F39-R43 HydrophobicContact CZ-CG 4.2Å; F39-R43 WeakPolarHBondContact O-CG 3.46Å; F39-R43 PolarHBondContact O-N 2.82Å; F39-R43 VanDerWaalsContact O-N 3.13Å; L40-R43 PolarHBondContact O-N 2.99Å; A41-R43 VanDerWaalsContact C-N 3.33Å; R43-L46 PolarHBondContact O-N 3.42Å; R43-A47 VanDerWaalsContact O-CB 3.32Å; R43-A47 WeakPolarHBondContact O-CB 3.29Å; R43-A47 PolarHBondContact O-N 2.7Å; R43-L59 HydrophobicContact CB-CD2 3.72Å; R43-L59 HydrophobicContact CG-CD2 4.29Å
44G94.2Very high93.4Very high1 Ų143.6 Ų43.61%0.0120%0.201CC..Hα-helixtrans-63.5-46178.100000112L40 A41 L46 A47 E48L40-G44 PolarHBondContact O-N 3.19Å; A41-G44 PolarHBondContact O-N 3.14Å; G44-L46 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 3.14Å; G44-A47 WeakPolarHBondContact O-CB 3.5Å; G44-A47 PolarHBondContact O-N 3.3Å; G44-E48 WeakPolarHBondContact O-CG 3.39Å; G44-E48 PolarHBondContact O-N 3.41Å
45L95.2Very high94.2Very high0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-61.5-43175.7-178.761.9000111.7A6 A41 A47 L49 V89 V91 L211 W217A6-L45 HydrophobicContact CB-CD1 4.18Å; A6-L45 HydrophobicContact CB-CD2 4.49Å; A6-L45 HydrophobicContact CB-CG 4.39Å; A41-L45 WeakPolarHBondContact O-CB 3.36Å; A41-L45 PolarHBondContact O-N 3.28Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-L49 WeakPolarHBondContact O-CB 3.41Å; L45-L49 PolarHBondContact O-N 2.99Å; L45-V89 HydrophobicContact CD2-CG1 3.93Å; L45-V89 HydrophobicContact CD2-CG2 4.48Å; L45-V91 HydrophobicContact CB-CG2 4.16Å; L45-V91 HydrophobicContact CD2-CB 4.27Å; L45-V91 HydrophobicContact CD2-CG2 3.86Å; L45-V91 HydrophobicContact CG-CB 4.38Å; L45-V91 HydrophobicContact CG-CG2 3.92Å; L45-L211 HydrophobicContact CD1-CB 3.75Å; L45-L211 HydrophobicContact CD1-CD2 3.7Å; L45-L211 HydrophobicContact CD1-CG 4.39Å; L45-W217 HydrophobicContact CD1-CH2 3.77Å; L45-W217 HydrophobicContact CD1-CZ3 4.3Å
46L96.8Very high94.6Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-64-40.6175.4178.960.6000111.2S42 R43 G44 L49 M50 L59 I62 F72 F80 V91 L93S42-L46 WeakPolarHBondContact O-CB 3.41Å; S42-L46 PolarHBondContact O-N 3.31Å; R43-L46 PolarHBondContact O-N 3.42Å; G44-L46 VanDerWaalsContact C-N 3.35Å; G44-L46 PolarHBondContact O-N 3.14Å; L46-L49 PolarHBondContact O-N 3.2Å; L46-M50 HydrophobicContact CD1-CG 4.24Å; L46-M50 HydrophobicContact CG-CG 4.46Å; L46-M50 WeakPolarHBondContact O-CB 3.32Å; L46-M50 VanDerWaalsContact O-CG 3.27Å; L46-M50 WeakPolarHBondContact O-CG 3.36Å; L46-M50 PolarHBondContact O-N 3.32Å; L46-L59 HydrophobicContact CB-CD1 4.15Å; L46-L59 HydrophobicContact CD2-CD1 3.92Å; L46-L59 HydrophobicContact CG-CD1 3.69Å; L46-I62 HydrophobicContact CD2-CD1 3.73Å; L46-F72 HydrophobicContact CD1-CZ 4.04Å; L46-F72 HydrophobicContact CD2-CE1 4.11Å; L46-F72 HydrophobicContact CD2-CZ 3.84Å; L46-F72 HydrophobicContact CG-CZ 4.07Å; L46-F80 HydrophobicContact CD1-CB 4.1Å; L46-F80 HydrophobicContact CD1-CG 4.19Å; L46-F80 HydrophobicContact CD2-CD1 4.18Å; L46-F80 HydrophobicContact CD2-CD2 3.78Å; L46-F80 HydrophobicContact CD2-CE1 4.18Å; L46-F80 HydrophobicContact CD2-CE2 3.82Å; L46-F80 HydrophobicContact CD2-CG 3.98Å; L46-F80 HydrophobicContact CD2-CZ 4.02Å; L46-V91 HydrophobicContact CB-CG1 4.23Å; L46-V91 HydrophobicContact CB-CG2 4.1Å; L46-V91 HydrophobicContact CD1-CG1 3.59Å; L46-V91 HydrophobicContact CG-CG1 4.46Å; L46-L93 HydrophobicContact CD1-CD1 4.11Å
47A96Very high94.9Very high1 Ų134.3 Ų34.31%0.00819%0.193CC..Hα-helixtrans-63.1-47.6179.100000111.7R19 L20 R43 G44 L45 L49 M50 F51 L59R19-A47 HydrophobicContact CB-CB 4Å; L20-A47 HydrophobicContact CD2-CB 4.43Å; R43-A47 VanDerWaalsContact O-CB 3.32Å; R43-A47 WeakPolarHBondContact O-CB 3.29Å; R43-A47 PolarHBondContact O-N 2.7Å; G44-A47 WeakPolarHBondContact O-CB 3.5Å; G44-A47 PolarHBondContact O-N 3.3Å; L45-A47 VanDerWaalsContact C-N 3.35Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 2.97Å; A47-M50 PolarHBondContact O-N 2.75Å; A47-F51 PolarHBondContact O-N 2.84Å; A47-L59 HydrophobicContact CB-CB 3.78Å; A47-L59 HydrophobicContact CB-CD1 4.04Å; A47-L59 HydrophobicContact CB-CG 4.35Å
48E95Very high95.3Very high11 Ų1135.9 Ų35.95%0.05119%0.19CC..Hα-helixtrans-63.6-36.4176.1-67-57.4142.900111.5S17 R19 G44 F51 M52 L211 W217S17-E48 VanDerWaalsContact CB-OE1 3.31Å; S17-E48 WeakPolarHBondContact CB-OE1 3.32Å; S17-E48 PolarHBondContact OG-OE1 3.28Å; R19-E48 IonicContact CZ-OE1 3.3Å; R19-E48 IonicContact CZ-OE2 3.39Å; R19-E48 IonicContact NE-OE2 2.64Å; R19-E48 IonicContact NH1-OE1 3.81Å; R19-E48 PolarHBondContact NH1-OE1 2.65Å; R19-E48 IonicContact NH1-OE2 3.44Å; R19-E48 PolarHBondContact NH1-OE2 3.18Å; G44-E48 WeakPolarHBondContact O-CG 3.39Å; G44-E48 PolarHBondContact O-N 3.41Å; E48-F51 PolarHBondContact O-N 3.46Å; E48-M52 VanDerWaalsContact O-CB 3.31Å; E48-M52 WeakPolarHBondContact O-CB 3.49Å; E48-M52 PolarHBondContact O-N 3.2Å; E48-L211 HydrophobicContact CB-CD2 4.16Å; E48-L211 HydrophobicContact CG-CD2 4.21Å; E48-W217 HydrophobicContact CB-CZ2 3.7Å
49L96Very high95.7Very high0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-67.6-42.9176.7-175.361.2000111.4A6 L45 L46 A47 F51 M52 L53 V91 L93 W217A6-L49 HydrophobicContact CB-CD1 4.13Å; A6-L49 HydrophobicContact CB-CD2 3.91Å; A6-L49 HydrophobicContact CB-CG 4.48Å; L45-L49 WeakPolarHBondContact O-CB 3.41Å; L45-L49 PolarHBondContact O-N 2.99Å; L46-L49 PolarHBondContact O-N 3.2Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 2.97Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 2.61Å; L49-M52 HydrophobicContact CD1-CE 3.53Å; L49-M52 PolarHBondContact O-N 3.25Å; L49-L53 HydrophobicContact CD1-CD1 3.66Å; L49-L53 HydrophobicContact CD1-CG 4.05Å; L49-L53 HydrophobicContact CG-CD1 3.89Å; L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 WeakPolarHBondContact O-CG 3.31Å; L49-L53 PolarHBondContact O-N 2.98Å; L49-V91 HydrophobicContact CD2-CB 4.45Å; L49-V91 HydrophobicContact CD2-CG1 3.85Å; L49-L93 HydrophobicContact CD2-CB 4Å; L49-L93 HydrophobicContact CD2-CD1 4.4Å; L49-W217 HydrophobicContact CB-CH2 4.09Å; L49-W217 HydrophobicContact CB-CZ2 4.26Å; L49-W217 HydrophobicContact CD1-CH2 4.11Å
50M97.4Very high95.9Very high1 Ų131 Ų311%0.00517%0.174CC..Hα-helixtrans-61.4-41.7175.1-72.2-58.4-62.800111.4L46 A47 Y54 G55 I56 P60 F72 L77 P78 L93L46-M50 HydrophobicContact CD1-CG 4.24Å; L46-M50 HydrophobicContact CG-CG 4.46Å; L46-M50 WeakPolarHBondContact O-CB 3.32Å; L46-M50 VanDerWaalsContact O-CG 3.27Å; L46-M50 WeakPolarHBondContact O-CG 3.36Å; L46-M50 PolarHBondContact O-N 3.32Å; A47-M50 PolarHBondContact O-N 2.75Å; M50-Y54 HydrophobicContact CE-CD2 3.76Å; M50-Y54 HydrophobicContact CE-CE2 4.25Å; M50-Y54 HydrophobicContact CE-CG 4.4Å; M50-Y54 WeakPolarHBondContact O-CA 3.46Å; M50-Y54 WeakPolarHBondContact O-CB 3.37Å; M50-Y54 PolarHBondContact O-N 3.36Å; M50-Y54 HydrophobicContact SD-CD2 4.01Å; M50-Y54 HydrophobicContact SD-CE2 4.16Å; M50-G55 PolarHBondContact O-N 3.07Å; M50-I56 HydrophobicContact CE-CD1 3.62Å; M50-P60 HydrophobicContact CE-CG 4.39Å; M50-F72 HydrophobicContact CE-CE2 4.27Å; M50-F72 HydrophobicContact CE-CZ 4.38Å; M50-F72 HydrophobicContact CG-CZ 4Å; M50-F72 HydrophobicContact SD-CE2 3.88Å; M50-F72 HydrophobicContact SD-CZ 3.86Å; M50-L77 HydrophobicContact CE-CD2 4.13Å; M50-P78 HydrophobicContact CE-CG 4.1Å; M50-P78 HydrophobicContact SD-CG 4.05Å; M50-L93 HydrophobicContact SD-CD1 3.39Å; M50-L93 WeakPolarHBondContact SD-CD1 3.39Å
51F95.9Very high96.1Very high84 Ų8435 Ų3537%0.36819%0.193SC..Hα-helixtrans-64.3-47.2175.5179.3-106.5000112R19 A47 E48 L49 L53 G55 I56R19-F51 VanDerWaalsContact NE-CD2 3.34Å; A47-F51 PolarHBondContact O-N 2.84Å; E48-F51 PolarHBondContact O-N 3.46Å; L49-F51 VanDerWaalsContact C-N 3.32Å; L49-F51 PolarHBondContact O-N 2.61Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 3.11Å; F51-G55 WeakPolarHBondContact O-CA 3.21Å; F51-G55 PolarHBondContact O-N 2.95Å; F51-I56 WeakPolarHBondContact CA-O 3.47Å; F51-I56 WeakPolarHBondContact CB-O 3.11Å; F51-I56 WeakPolarHBondContact CD2-O 3.39Å
52M95.4Very high96.4Very high60 Ų6036 Ų3630%0.29620%0.197SC..Hα-helixtrans-62.2-39.6-178.5-179.3-89.7-7600112.4E48 L49 W209 W217E48-M52 VanDerWaalsContact O-CB 3.31Å; E48-M52 WeakPolarHBondContact O-CB 3.49Å; E48-M52 PolarHBondContact O-N 3.2Å; L49-M52 HydrophobicContact CD1-CE 3.53Å; L49-M52 PolarHBondContact O-N 3.25Å; M52-W209 HydrophobicContact CE-CD2 3.93Å; M52-W209 HydrophobicContact CE-CE3 4.24Å; M52-W209 HydrophobicContact CE-CG 4.26Å; M52-W209 HydrophobicContact CE-CZ2 4.41Å; M52-W217 HydrophobicContact CE-CD2 4.25Å; M52-W217 HydrophobicContact CE-CE3 4.44Å; M52-W217 HydrophobicContact CG-CG 4.35Å
53L96Very high96.5Very high50 Ų5038.5 Ų38.526%0.26221%0.212SC..Hα-helixtrans-89.5-35.1-175.7-64.9176.1000114.2H4 L49 F51 L93H4-L53 HydrophobicContact CB-CD1 4.06Å; H4-L53 WeakPolarHBondContact CE1-CD2 3.11Å; H4-L53 WeakPolarHBondContact ND1-CD2 3.48Å; L49-L53 HydrophobicContact CD1-CD1 3.66Å; L49-L53 HydrophobicContact CD1-CG 4.05Å; L49-L53 HydrophobicContact CG-CD1 3.89Å; L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 WeakPolarHBondContact O-CG 3.31Å; L49-L53 PolarHBondContact O-N 2.98Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 3.11Å; L53-L93 HydrophobicContact CD1-CD2 4.16Å
54Y96.6Very high96.5Very high91 Ų9142 Ų4236%0.35724%0.236SC..Hα-helixtrans-123.8-3-169.9-56.1-81.5000113.8M50 I56 P78 L93M50-Y54 HydrophobicContact CE-CD2 3.76Å; M50-Y54 HydrophobicContact CE-CE2 4.25Å; M50-Y54 HydrophobicContact CE-CG 4.4Å; M50-Y54 WeakPolarHBondContact O-CA 3.46Å; M50-Y54 WeakPolarHBondContact O-CB 3.37Å; M50-Y54 PolarHBondContact O-N 3.36Å; M50-Y54 HydrophobicContact SD-CD2 4.01Å; M50-Y54 HydrophobicContact SD-CE2 4.16Å; Y54-I56 PolarHBondContact O-N 3.45Å; Y54-P78 HydrophobicContact CE2-CG 3.76Å; Y54-L93 HydrophobicContact CE2-CD1 4.41Å; Y54-L93 HydrophobicContact CE2-CD2 3.77Å; Y54-L93 WeakPolarHBondContact OH-CD2 3.17Å
55G97.1Very high96.5Very high52 Ų5245.8 Ų45.854%0.53626%0.255SS..  trans69.713-177.200000114.3M50 F51 G57M50-G55 PolarHBondContact O-N 3.07Å; F51-G55 WeakPolarHBondContact O-CA 3.21Å; F51-G55 PolarHBondContact O-N 2.95Å; G55-G57 PolarHBondContact O-N 3.03Å
56I97.5Very high96.2Very high49 Ų4952.4 Ų52.425%0.25130%0.299SS..  trans-74.1115.6-178.8-61.2-175.7000109.5M50 F51 Y54 E58 P60 L77M50-I56 HydrophobicContact CE-CD1 3.62Å; F51-I56 WeakPolarHBondContact CA-O 3.47Å; F51-I56 WeakPolarHBondContact CB-O 3.11Å; F51-I56 WeakPolarHBondContact CD2-O 3.39Å; Y54-I56 PolarHBondContact O-N 3.45Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 WeakPolarHBondContact CG2-O 3.39Å; I56-E58 PolarHBondContact O-N 3.41Å; I56-P60 HydrophobicContact CD1-CG 4.35Å; I56-P60 HydrophobicContact CG2-CG 4.1Å; I56-L77 HydrophobicContact CD1-CD2 3.82Å
57G96.6Very high95.8Very high50 Ų5058.5 Ų58.552%0.51533%0.325SS..SBendtrans-75.9-12.5-171.500000116.1R19 G55R19-G57 WeakPolarHBondContact CB-O 3.43Å; R19-G57 VanDerWaalsContact CG-O 3.29Å; R19-G57 WeakPolarHBondContact CG-O 3.41Å; G55-G57 PolarHBondContact O-N 3.03Å
58E97.4Very high95.5Very high118 Ų11860.7 Ų60.755%0.55135%0.348SS*.SBendtrans-143.6141.1-179.7-171.6172.1164.600109.6R19 P21 I56 P60R19-E58 CarbonylContact O-C 3.54Å; R19-E58 WeakPolarHBondContact O-CA 3.46Å; P21-E58 WeakPolarHBondContact CA-OE1 3.43Å; P21-E58 HydrophobicContact CB-CG 4.33Å; P21-E58 VanDerWaalsContact CB-OE1 3.23Å; P21-E58 WeakPolarHBondContact CB-OE1 3.31Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 WeakPolarHBondContact CG2-O 3.39Å; I56-E58 PolarHBondContact O-N 3.41Å; E58-P60 VanDerWaalsContact O-CD 3.29Å; E58-P60 WeakPolarHBondContact O-CD 3.39Å
59L98.1Very high95.5Very high6 Ų661.2 Ų61.23%0.03135%0.35CS..PPolyproline II helixtrans-58.6122.2-179.1-177.266.4000110.3R19 L20 P21 R43 L46 A47 I62 F72R19-L59 PolarHBondContact O-N 3.1Å; L20-L59 HydrophobicContact CD2-CD2 3.98Å; P21-L59 HydrophobicContact CG-CB 4.47Å; R43-L59 HydrophobicContact CB-CD2 3.72Å; R43-L59 HydrophobicContact CG-CD2 4.29Å; L46-L59 HydrophobicContact CB-CD1 4.15Å; L46-L59 HydrophobicContact CD2-CD1 3.92Å; L46-L59 HydrophobicContact CG-CD1 3.69Å; A47-L59 HydrophobicContact CB-CB 3.78Å; A47-L59 HydrophobicContact CB-CD1 4.04Å; A47-L59 HydrophobicContact CB-CG 4.35Å; L59-I62 HydrophobicContact CD1-CD1 4.46Å; L59-I62 HydrophobicContact CD2-CD1 4.08Å; L59-I62 HydrophobicContact CG-CD1 4.42Å; L59-F72 HydrophobicContact CD1-CE1 4.16Å
60P98.2Very high95.6Very high24 Ų2462.8 Ų62.816%0.15636%0.36CS..PPolyproline II helixtrans-61.7154.6177.3-23.834.9000112.4M50 I56 E58 I62 F72 L77M50-P60 HydrophobicContact CE-CG 4.39Å; I56-P60 HydrophobicContact CD1-CG 4.35Å; I56-P60 HydrophobicContact CG2-CG 4.1Å; E58-P60 VanDerWaalsContact O-CD 3.29Å; E58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-I62 PolarHBondContact O-N 3.06Å; P60-F72 HydrophobicContact CB-CD1 3.75Å; P60-F72 HydrophobicContact CB-CE1 3.93Å; P60-F72 HydrophobicContact CB-CG 4.47Å; P60-F72 HydrophobicContact CG-CD1 4.37Å; P60-F72 HydrophobicContact CG-CE1 4.14Å; P60-L77 HydrophobicContact CB-CD1 3.38Å; P60-L77 HydrophobicContact CG-CD1 3.58Å
61E97.7Very high95.6Very high110 Ų11064.2 Ų64.251%0.51437%0.369SS..PPolyproline II helixtrans-56.9132.5179.3-175-174.7-15100111.4F72 S73E61-F72 WeakPolarHBondContact O-CA 2.95Å; E61-S73 PolarHBondContact O-N 3.21Å; E61-S73 VanDerWaalsContact OE2-CB 3.23Å; E61-S73 WeakPolarHBondContact OE2-CB 3.37Å; E61-S73 PolarHBondContact OE2-OG 3.16Å
62I97.9Very high95.7Very high26 Ų2660.9 Ų60.913%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-113125.3178.9-65.9171.3000109.2L46 L59 P60 P70 V71 F72 F80L46-I62 HydrophobicContact CD2-CD1 3.73Å; L59-I62 HydrophobicContact CD1-CD1 4.46Å; L59-I62 HydrophobicContact CD2-CD1 4.08Å; L59-I62 HydrophobicContact CG-CD1 4.42Å; P60-I62 PolarHBondContact O-N 3.06Å; I62-P70 HydrophobicContact CG2-CB 3.79Å; I62-V71 CarbonylContact C-O 3.58Å; I62-V71 VanDerWaalsContact CA-O 3.31Å; I62-V71 WeakPolarHBondContact CA-O 3.39Å; I62-F72 HydrophobicContact CD1-CD1 4.48Å; I62-F72 HydrophobicContact CD1-CE1 4.1Å; I62-F72 HydrophobicContact CG1-CD1 3.71Å; I62-F72 HydrophobicContact CG1-CE1 3.81Å; I62-F80 HydrophobicContact CD1-CE1 4.33Å; I62-F80 HydrophobicContact CD1-CE2 4.47Å; I62-F80 HydrophobicContact CD1-CZ 3.8Å; I62-F80 HydrophobicContact CG1-CE1 4.23Å; I62-F80 HydrophobicContact CG1-CZ 3.98Å; I62-F80 HydrophobicContact CG2-CZ 3.92Å
63V96.5Very high95.8Very high54 Ų5460.7 Ų60.733%0.32736%0.359SS..EExtended strand (participates in β ladder)trans-108.5156172.8-61.70000110.1P70 V71V63-P70 CarbonylContact O-C 3.6Å; V63-P70 WeakPolarHBondContact O-CA 3.31Å; V63-V71 HydrophobicContact CG2-CG2 3.7Å; V63-V71 PolarHBondContact N-O 2.85Å; V63-V71 PolarHBondContact O-N 3.46Å; V63-V71 VanDerWaalsContact O-O 3.14Å
64T94.4Very high95.9Very high95 Ų9562.1 Ų62.158%0.58337%0.366SS*.EExtended strand (participates in β ladder)trans-107.3122.2177.6-57.40000109.8
65L93.8Very high95.8Very high79 Ų7967.2 Ų67.241%0.41439%0.391SS..  trans-67.5161.5175.4-62.4-177.3000111K67 G68 K69 V71L65-K67 PolarHBondContact O-N 2.94Å; L65-G68 WeakPolarHBondContact O-CA 3.34Å; L65-G68 PolarHBondContact O-N 3.18Å; L65-K69 WeakPolarHBondContact CB-O 3.46Å; L65-K69 HydrophobicContact CD1-CB 4.48Å; L65-K69 PolarHBondContact N-O 3.2Å; L65-V71 HydrophobicContact CD1-CG1 3.83Å; L65-V71 HydrophobicContact CD1-CG2 4.36Å; L65-V71 HydrophobicContact CD2-CG2 3.91Å; L65-V71 HydrophobicContact CG-CG1 4.12Å; L65-V71 HydrophobicContact CG-CG2 3.91Å
66P89.9Confident95.7Very high140 Ų14071.9 Ų71.991%0.90940%0.403SS*.THydrogen-bonded Turntrans-54.3-31.6-174.6-30.136.5000115.6G68P66-G68 VanDerWaalsContact C-N 3.28Å; P66-G68 PolarHBondContact O-N 2.52Å
67K88.7Confident95.7Very high128 Ų12871.3 Ų71.356%0.55740%0.4SS*.THydrogen-bonded Turntrans-85.47.3176.2-64.9-168.9175-173.40114.2L65 G156 D157L65-K67 PolarHBondContact O-N 2.94Å; K67-G156 WeakPolarHBondContact CB-O 3.33Å; K67-D157 HydrophobicContact CD-CB 4.22Å; K67-D157 IonicContact NZ-OD1 3.44Å; K67-D157 IonicContact NZ-OD2 3.58Å; K67-D157 PolarHBondContact NZ-OD2 3.38Å
68G90.3Very high95.7Very high47 Ų4769.6 Ų69.649%0.48538%0.38SS..SBendtrans91.2-0.8176.200000115.7L65 P66 P70L65-G68 WeakPolarHBondContact O-CA 3.34Å; L65-G68 PolarHBondContact O-N 3.18Å; P66-G68 VanDerWaalsContact C-N 3.28Å; P66-G68 PolarHBondContact O-N 2.52Å; G68-P70 WeakPolarHBondContact O-CD 3.27Å
69K94.8Very high95.7Very high22 Ų2264.9 Ų64.910%0.09636%0.36CS..  trans-71.4119.9177.5-176177178.9-177.10110.4L65 V71 E98 L154L65-K69 WeakPolarHBondContact CB-O 3.46Å; L65-K69 HydrophobicContact CD1-CB 4.48Å; L65-K69 PolarHBondContact N-O 3.2Å; K69-V71 HydrophobicContact CG-CG1 4.33Å; K69-E98 IonicContact NZ-OE2 2.66Å; K69-E98 PolarHBondContact NZ-OE2 2.89Å; K69-L154 PolarHBondContact NZ-O 3.02Å
70P96.6Very high95.8Very high32 Ų3264.8 Ų64.821%0.20836%0.36CS..EExtended strand (participates in β ladder)trans-75.113917331.7-33.7000110.4I62 V63 G68 F80I62-P70 HydrophobicContact CG2-CB 3.79Å; V63-P70 CarbonylContact O-C 3.6Å; V63-P70 WeakPolarHBondContact O-CA 3.31Å; G68-P70 WeakPolarHBondContact O-CD 3.27Å; P70-F80 HydrophobicContact CB-CE2 4.12Å; P70-F80 HydrophobicContact CB-CZ 4.01Å; P70-F80 HydrophobicContact CG-CE2 4.01Å; P70-F80 HydrophobicContact CG-CZ 4.39Å
71V97.7Very high95.8Very high32 Ų3264.1 Ų64.119%0.19436%0.355CS..EExtended strand (participates in β ladder)trans-142.2160.4176.7-60.90000109.7I62 V63 L65 K69I62-V71 CarbonylContact C-O 3.58Å; I62-V71 VanDerWaalsContact CA-O 3.31Å; I62-V71 WeakPolarHBondContact CA-O 3.39Å; V63-V71 HydrophobicContact CG2-CG2 3.7Å; V63-V71 PolarHBondContact N-O 2.85Å; V63-V71 PolarHBondContact O-N 3.46Å; V63-V71 VanDerWaalsContact O-O 3.14Å; L65-V71 HydrophobicContact CD1-CG1 3.83Å; L65-V71 HydrophobicContact CD1-CG2 4.36Å; L65-V71 HydrophobicContact CD2-CG2 3.91Å; L65-V71 HydrophobicContact CG-CG1 4.12Å; L65-V71 HydrophobicContact CG-CG2 3.91Å; K69-V71 HydrophobicContact CG-CG1 4.33Å
72F98.1Very high95.8Very high14 Ų1459.9 Ų59.96%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-70.1145170.2-68.1-57.4000110.4L46 M50 L59 P60 E61 I62 D74 L77 P78 F80L46-F72 HydrophobicContact CD1-CZ 4.04Å; L46-F72 HydrophobicContact CD2-CE1 4.11Å; L46-F72 HydrophobicContact CD2-CZ 3.84Å; L46-F72 HydrophobicContact CG-CZ 4.07Å; M50-F72 HydrophobicContact CE-CE2 4.27Å; M50-F72 HydrophobicContact CE-CZ 4.38Å; M50-F72 HydrophobicContact CG-CZ 4Å; M50-F72 HydrophobicContact SD-CE2 3.88Å; M50-F72 HydrophobicContact SD-CZ 3.86Å; L59-F72 HydrophobicContact CD1-CE1 4.16Å; P60-F72 HydrophobicContact CB-CD1 3.75Å; P60-F72 HydrophobicContact CB-CE1 3.93Å; P60-F72 HydrophobicContact CB-CG 4.47Å; P60-F72 HydrophobicContact CG-CD1 4.37Å; P60-F72 HydrophobicContact CG-CE1 4.14Å; E61-F72 WeakPolarHBondContact O-CA 2.95Å; I62-F72 HydrophobicContact CD1-CD1 4.48Å; I62-F72 HydrophobicContact CD1-CE1 4.1Å; I62-F72 HydrophobicContact CG1-CD1 3.71Å; I62-F72 HydrophobicContact CG1-CE1 3.81Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-L77 HydrophobicContact CB-CB 4.01Å; F72-L77 HydrophobicContact CB-CD1 3.89Å; F72-L77 HydrophobicContact CD1-CD1 4.3Å; F72-L77 HydrophobicContact CD2-CB 3.68Å; F72-L77 HydrophobicContact CD2-CD1 4.14Å; F72-L77 HydrophobicContact CE2-CB 4.46Å; F72-L77 HydrophobicContact CG-CB 4.08Å; F72-L77 HydrophobicContact CG-CD1 3.87Å; F72-P78 WeakPolarHBondContact CD2-O 3.39Å; F72-F80 HydrophobicContact CD1-CD1 4.45Å; F72-F80 AromaticContact CD1-CE1 3.92Å; F72-F80 HydrophobicContact CD1-CE1 3.92Å; F72-F80 AromaticContact CD2-CD1 3.63Å; F72-F80 HydrophobicContact CD2-CD1 3.63Å; F72-F80 AromaticContact CD2-CE1 3.83Å; F72-F80 HydrophobicContact CD2-CE1 3.83Å; F72-F80 HydrophobicContact CE1-CD1 4.27Å; F72-F80 AromaticContact CE1-CE1 3.95Å; F72-F80 HydrophobicContact CE1-CE1 3.95Å; F72-F80 AromaticContact CE2-CD1 3.41Å; F72-F80 HydrophobicContact CE2-CD1 3.41Å; F72-F80 VanDerWaalsContact CE2-CD1 3.41Å; F72-F80 AromaticContact CE2-CE1 3.87Å; F72-F80 HydrophobicContact CE2-CE1 3.87Å; F72-F80 HydrophobicContact CE2-CG 4.37Å; F72-F80 HydrophobicContact CG-CD1 4.16Å; F72-F80 AromaticContact CG-CE1 3.86Å; F72-F80 HydrophobicContact CG-CE1 3.86Å; F72-F80 AromaticContact CZ-CD1 3.76Å; F72-F80 HydrophobicContact CZ-CD1 3.76Å; F72-F80 AromaticContact CZ-CE1 3.93Å; F72-F80 HydrophobicContact CZ-CE1 3.93Å
73S97.7Very high95.7Very high56 Ų5658.8 Ų58.839%0.39233%0.331SS..SBendtrans-63-41.3175.4-168.20000111.2E61 K75E61-S73 PolarHBondContact O-N 3.21Å; E61-S73 VanDerWaalsContact OE2-CB 3.23Å; E61-S73 WeakPolarHBondContact OE2-CB 3.37Å; E61-S73 PolarHBondContact OE2-OG 3.16Å; S73-K75 PolarHBondContact O-N 2.81Å
74D97.4Very high95.6Very high79 Ų7959.8 Ų59.842%0.42233%0.329SS..SBendtrans-77.9117.9171.9-176.4-1.7000111F72 N76 L77F72-D74 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 2.7Å; D74-N76 WeakPolarHBondContact OD1-CB 2.98Å; D74-N76 PolarHBondContact OD1-N 2.85Å; D74-N76 PolarHBondContact OD1-ND2 3.07Å; D74-L77 HydrophobicContact CB-CD1 3.95Å; D74-L77 HydrophobicContact CB-CG 4.03Å; D74-L77 WeakPolarHBondContact O-CB 3Å; D74-L77 PolarHBondContact O-N 3.21Å
75K94.7Very high95.5Very high199 Ų19955.6 Ų55.687%0.86530%0.304SS*.THydrogen-bonded Turntrans-73.3-11.5-178.7-61.3-176.3-178.9179.90114.1S73 L77S73-K75 PolarHBondContact O-N 2.81Å; K75-L77 VanDerWaalsContact C-N 3.3Å
76N95.7Very high95.2Very high150 Ų15053 Ų5380%0.80230%0.297SS*.THydrogen-bonded Turntrans-84.1-10.6175.4-55.8-61.5000112.3D74D74-N76 PolarHBondContact O-N 2.7Å; D74-N76 WeakPolarHBondContact OD1-CB 2.98Å; D74-N76 PolarHBondContact OD1-N 2.85Å; D74-N76 PolarHBondContact OD1-ND2 3.07Å
77L97.2Very high95.2Very high37 Ų3750.2 Ų50.219%0.19427%0.274CS..SBendtrans-78.7153174.3-67.8178.2000111.1M50 I56 P60 F72 D74 K75M50-L77 HydrophobicContact CE-CD2 4.13Å; I56-L77 HydrophobicContact CD1-CD2 3.82Å; P60-L77 HydrophobicContact CB-CD1 3.38Å; P60-L77 HydrophobicContact CG-CD1 3.58Å; F72-L77 HydrophobicContact CB-CB 4.01Å; F72-L77 HydrophobicContact CB-CD1 3.89Å; F72-L77 HydrophobicContact CD1-CD1 4.3Å; F72-L77 HydrophobicContact CD2-CB 3.68Å; F72-L77 HydrophobicContact CD2-CD1 4.14Å; F72-L77 HydrophobicContact CE2-CB 4.46Å; F72-L77 HydrophobicContact CG-CB 4.08Å; F72-L77 HydrophobicContact CG-CD1 3.87Å; D74-L77 HydrophobicContact CB-CD1 3.95Å; D74-L77 HydrophobicContact CB-CG 4.03Å; D74-L77 WeakPolarHBondContact O-CB 3Å; D74-L77 PolarHBondContact O-N 3.21Å; K75-L77 VanDerWaalsContact C-N 3.3Å
78P97.4Very high95.3Very high13 Ų1345.1 Ų45.18%0.08425%0.252CS..PPolyproline II helixtrans-61.6149.1179.927.5-39000112.8M50 Y54 F72 L93 T94M50-P78 HydrophobicContact CE-CG 4.1Å; M50-P78 HydrophobicContact SD-CG 4.05Å; Y54-P78 HydrophobicContact CE2-CG 3.76Å; F72-P78 WeakPolarHBondContact CD2-O 3.39Å; P78-L93 HydrophobicContact CB-CD1 4.36Å; P78-L93 HydrophobicContact CB-CD2 3.58Å; P78-L93 HydrophobicContact CB-CG 3.86Å; P78-L93 HydrophobicContact CG-CD1 3.82Å; P78-L93 HydrophobicContact CG-CD2 3.69Å; P78-L93 HydrophobicContact CG-CG 3.87Å; P78-T94 WeakPolarHBondContact CA-O 3.42Å; P78-T94 WeakPolarHBondContact CB-O 3.45Å
79S97.7Very high95.5Very high20 Ų2042.9 Ų42.914%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-67.5143.2170.3165.30000110.2L93 T94 G97 E98 C99S79-L93 CarbonylContact O-C 3.54Å; S79-L93 VanDerWaalsContact O-CA 3.3Å; S79-L93 WeakPolarHBondContact O-CA 3.22Å; S79-T94 PolarHBondContact N-O 2.91Å; S79-T94 PolarHBondContact O-N 2.81Å; S79-G97 VanDerWaalsContact CB-O 3.29Å; S79-G97 WeakPolarHBondContact CB-O 3.37Å; S79-E98 PolarHBondContact OG-OE2 3.01Å; S79-C99 PolarHBondContact O-SG 3.41Å; S79-C99 PolarHBondContact OG-N 2.86Å
80F98.5Very high95.6Very high4 Ų441.8 Ų41.82%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-133.8161.3174.673.5-91.2000113L46 I62 P70 F72 I82 A92L46-F80 HydrophobicContact CD1-CB 4.1Å; L46-F80 HydrophobicContact CD1-CG 4.19Å; L46-F80 HydrophobicContact CD2-CD1 4.18Å; L46-F80 HydrophobicContact CD2-CD2 3.78Å; L46-F80 HydrophobicContact CD2-CE1 4.18Å; L46-F80 HydrophobicContact CD2-CE2 3.82Å; L46-F80 HydrophobicContact CD2-CG 3.98Å; L46-F80 HydrophobicContact CD2-CZ 4.02Å; I62-F80 HydrophobicContact CD1-CE1 4.33Å; I62-F80 HydrophobicContact CD1-CE2 4.47Å; I62-F80 HydrophobicContact CD1-CZ 3.8Å; I62-F80 HydrophobicContact CG1-CE1 4.23Å; I62-F80 HydrophobicContact CG1-CZ 3.98Å; I62-F80 HydrophobicContact CG2-CZ 3.92Å; P70-F80 HydrophobicContact CB-CE2 4.12Å; P70-F80 HydrophobicContact CB-CZ 4.01Å; P70-F80 HydrophobicContact CG-CE2 4.01Å; P70-F80 HydrophobicContact CG-CZ 4.39Å; F72-F80 HydrophobicContact CD1-CD1 4.45Å; F72-F80 AromaticContact CD1-CE1 3.92Å; F72-F80 HydrophobicContact CD1-CE1 3.92Å; F72-F80 AromaticContact CD2-CD1 3.63Å; F72-F80 HydrophobicContact CD2-CD1 3.63Å; F72-F80 AromaticContact CD2-CE1 3.83Å; F72-F80 HydrophobicContact CD2-CE1 3.83Å; F72-F80 HydrophobicContact CE1-CD1 4.27Å; F72-F80 AromaticContact CE1-CE1 3.95Å; F72-F80 HydrophobicContact CE1-CE1 3.95Å; F72-F80 AromaticContact CE2-CD1 3.41Å; F72-F80 HydrophobicContact CE2-CD1 3.41Å; F72-F80 VanDerWaalsContact CE2-CD1 3.41Å; F72-F80 AromaticContact CE2-CE1 3.87Å; F72-F80 HydrophobicContact CE2-CE1 3.87Å; F72-F80 HydrophobicContact CE2-CG 4.37Å; F72-F80 HydrophobicContact CG-CD1 4.16Å; F72-F80 AromaticContact CG-CE1 3.86Å; F72-F80 HydrophobicContact CG-CE1 3.86Å; F72-F80 AromaticContact CZ-CD1 3.76Å; F72-F80 HydrophobicContact CZ-CD1 3.76Å; F72-F80 AromaticContact CZ-CE1 3.93Å; F72-F80 HydrophobicContact CZ-CE1 3.93Å; F80-I82 HydrophobicContact CD2-CD1 4.24Å; F80-I82 HydrophobicContact CD2-CG1 4.13Å; F80-I82 HydrophobicContact CE2-CD1 3.86Å; F80-I82 HydrophobicContact CE2-CG1 4.22Å; F80-A92 CarbonylContact C-O 3.56Å; F80-A92 WeakPolarHBondContact CA-O 3.44Å; F80-A92 VanDerWaalsContact CB-O 3.31Å; F80-A92 WeakPolarHBondContact CB-O 3.29Å
81S98.6Very high95.7Very high9 Ų940.3 Ų40.36%0.06322%0.215CC..EExtended strand (participates in β ladder)trans-142.2146.1170.71780000110.7V91 A92 L101S81-V91 CarbonylContact O-C 3.59Å; S81-V91 WeakPolarHBondContact O-CA 3.3Å; S81-A92 PolarHBondContact N-O 3.27Å; S81-A92 PolarHBondContact O-N 2.99Å; S81-L101 PolarHBondContact OG-N 2.85Å
82I97.7Very high95.7Very high22 Ų2238.8 Ų38.811%0.11321%0.206CC..EExtended strand (participates in β ladder)trans-116.1143-177.4-65.3167.7000110.2F80 Y84 G90 V91 K153F80-I82 HydrophobicContact CD2-CD1 4.24Å; F80-I82 HydrophobicContact CD2-CG1 4.13Å; F80-I82 HydrophobicContact CE2-CD1 3.86Å; F80-I82 HydrophobicContact CE2-CG1 4.22Å; I82-Y84 HydrophobicContact CG2-CD2 4.49Å; I82-Y84 HydrophobicContact CG2-CE1 4.46Å; I82-Y84 HydrophobicContact CG2-CE2 3.77Å; I82-G90 WeakPolarHBondContact CA-O 3.29Å; I82-V91 HydrophobicContact CG1-CG2 4.24Å; I82-K153 PolarHBondContact O-NZ 2.8Å
83S96.9Very high95.7Very high3 Ų338.1 Ų38.12%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-141.4163.6169.6-158.50000112.7G90 L101 D102 M103 K153S83-G90 PolarHBondContact N-O 3.39Å; S83-G90 PolarHBondContact O-N 3.4Å; S83-L101 WeakPolarHBondContact CB-O 3.41Å; S83-D102 WeakPolarHBondContact OG-CA 3.1Å; S83-D102 PolarHBondContact OG-OD1 2.91Å; S83-M103 PolarHBondContact OG-N 3.35Å; S83-M103 VanDerWaalsContact OG-N 3.12Å; S83-K153 PolarHBondContact OG-NZ 3.46Å; S83-K153 VanDerWaalsContact OG-NZ 3.12Å
84Y93.9Very high95.7Very high75 Ų7535.4 Ų35.429%0.29418%0.184SC..EExtended strand (participates in β ladder)trans-137.1141.3177.6-53.6-87.3000109.8R38 S42 I82 M88 V89R38-Y84 HydrophobicContact CB-CD1 4.09Å; R38-Y84 HydrophobicContact CB-CE1 3.63Å; R38-Y84 HydrophobicContact CG-CD1 4.04Å; R38-Y84 HydrophobicContact CG-CE1 4.11Å; R38-Y84 WeakPolarHBondContact O-CE1 3.33Å; R38-Y84 PolarHBondContact O-OH 3.23Å; S42-Y84 WeakPolarHBondContact CB-OH 3.39Å; S42-Y84 PolarHBondContact OG-OH 3.01Å; I82-Y84 HydrophobicContact CG2-CD2 4.49Å; I82-Y84 HydrophobicContact CG2-CE1 4.46Å; I82-Y84 HydrophobicContact CG2-CE2 3.77Å; Y84-M88 WeakPolarHBondContact CA-O 3.33Å; Y84-V89 HydrophobicContact CD1-CB 4.08Å; Y84-V89 HydrophobicContact CD1-CG2 3.84Å; Y84-V89 HydrophobicContact CE1-CB 4.24Å; Y84-V89 HydrophobicContact CE1-CG2 3.62Å
85A92.5Very high95.5Very high6 Ų634.6 Ų34.65%0.0518%0.182CC..EExtended strand (participates in β ladder)trans-141.3109.1171.700000109.2N87 M88 M103 L105 L193A85-N87 PolarHBondContact O-N 2.94Å; A85-M88 PolarHBondContact N-O 3.42Å; A85-M88 WeakPolarHBondContact O-CB 3.21Å; A85-M88 PolarHBondContact O-N 3.32Å; A85-M103 HydrophobicContact CB-CB 3.85Å; A85-M103 HydrophobicContact CB-CE 4.17Å; A85-L105 HydrophobicContact CB-CD2 4.24Å; A85-L105 HydrophobicContact CB-CG 4.1Å; A85-L193 HydrophobicContact CB-CD1 3.71Å
86G87.9Confident95.4Very high26 Ų2630 Ų3027%0.26816%0.164SC..THydrogen-bonded Turntrans59.5-117-17200000112.4R38R38-G86 PolarHBondContact NH2-O 3.19Å
87N88.2Confident95.4Very high80 Ų8024.9 Ų24.943%0.42815%0.146SC..THydrogen-bonded Turntrans-95.96.9172.969.9-24000112.9I9 L10 A85I9-N87 WeakPolarHBondContact CG2-ND2 3.46Å; L10-N87 WeakPolarHBondContact CA-O 3.35Å; L10-N87 HydrophobicContact CB-CB 4.34Å; L10-N87 WeakPolarHBondContact CB-O 3.49Å; L10-N87 WeakPolarHBondContact CG-O 3.45Å; L10-N87 PolarHBondContact N-O 3.48Å; A85-N87 PolarHBondContact O-N 2.94Å
88M91.9Very high95.3Very high21 Ų2127 Ų2710%0.10316%0.155CC..EExtended strand (participates in β ladder)trans-90.5144.3174.3-59.9-175.369.500110.8R7 G8 Y84 A85 M103 L193R7-M88 HydrophobicContact CB-CE 4.45Å; R7-M88 HydrophobicContact CG-CE 4.26Å; G8-M88 WeakPolarHBondContact O-CA 3.41Å; Y84-M88 WeakPolarHBondContact CA-O 3.33Å; A85-M88 PolarHBondContact N-O 3.42Å; A85-M88 WeakPolarHBondContact O-CB 3.21Å; A85-M88 PolarHBondContact O-N 3.32Å; M88-M103 HydrophobicContact CB-CE 3.79Å; M88-M103 HydrophobicContact CE-CE 4.39Å; M88-L193 HydrophobicContact CE-CD2 3.84Å; M88-L193 HydrophobicContact SD-CB 4.49Å; M88-L193 HydrophobicContact SD-CD1 4.14Å; M88-L193 HydrophobicContact SD-CD2 4.16Å; M88-L193 HydrophobicContact SD-CG 4.5Å
89V94.1Very high95.4Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-118.6142.4168.362.10000109.3R7 G8 L10 L15 L45 Y84R7-V89 CarbonylContact C-O 3.47Å; R7-V89 VanDerWaalsContact CA-O 3.23Å; R7-V89 WeakPolarHBondContact CA-O 3.28Å; G8-V89 PolarHBondContact N-O 2.92Å; G8-V89 PolarHBondContact O-N 2.79Å; L10-V89 HydrophobicContact CD2-CB 4.31Å; L10-V89 HydrophobicContact CD2-CG1 4.13Å; L15-V89 HydrophobicContact CD1-CG1 3.64Å; L45-V89 HydrophobicContact CD2-CG1 3.93Å; L45-V89 HydrophobicContact CD2-CG2 4.48Å; Y84-V89 HydrophobicContact CD1-CB 4.08Å; Y84-V89 HydrophobicContact CD1-CG2 3.84Å; Y84-V89 HydrophobicContact CE1-CB 4.24Å; Y84-V89 HydrophobicContact CE1-CG2 3.62Å
90G96.7Very high95.4Very high0 Ų025.5 Ų25.50%015%0.145CC..EExtended strand (participates in β ladder)trans-133.2148176.600000112.2A6 I82 S83 L101 M103A6-G90 CarbonylContact O-C 3.54Å; A6-G90 VanDerWaalsContact O-CA 3.25Å; A6-G90 WeakPolarHBondContact O-CA 2.94Å; I82-G90 WeakPolarHBondContact CA-O 3.29Å; S83-G90 PolarHBondContact N-O 3.39Å; S83-G90 PolarHBondContact O-N 3.4Å; G90-L101 WeakPolarHBondContact O-CD2 3.32Å; G90-M103 VanDerWaalsContact CA-SD 3.59Å
91V98.2Very high95.4Very high0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans-132.8125.1176.6173.20000108F5 A6 L45 L46 L49 S81 I82F5-V91 CarbonylContact C-O 3.55Å; F5-V91 WeakPolarHBondContact CA-O 3.32Å; A6-V91 PolarHBondContact N-O 2.98Å; A6-V91 PolarHBondContact O-N 3.37Å; L45-V91 HydrophobicContact CB-CG2 4.16Å; L45-V91 HydrophobicContact CD2-CB 4.27Å; L45-V91 HydrophobicContact CD2-CG2 3.86Å; L45-V91 HydrophobicContact CG-CB 4.38Å; L45-V91 HydrophobicContact CG-CG2 3.92Å; L46-V91 HydrophobicContact CB-CG1 4.23Å; L46-V91 HydrophobicContact CB-CG2 4.1Å; L46-V91 HydrophobicContact CD1-CG1 3.59Å; L46-V91 HydrophobicContact CG-CG1 4.46Å; L49-V91 HydrophobicContact CD2-CB 4.45Å; L49-V91 HydrophobicContact CD2-CG1 3.85Å; S81-V91 CarbonylContact O-C 3.59Å; S81-V91 WeakPolarHBondContact O-CA 3.3Å; I82-V91 HydrophobicContact CG1-CG2 4.24Å
92A98.6Very high95.4Very high0 Ų025.3 Ų25.30%014%0.143CC..EExtended strand (participates in β ladder)trans-101.7147.1163.900000109.6H4 F80 S81 L101 V197H4-A92 CarbonylContact O-C 3.5Å; H4-A92 WeakPolarHBondContact O-CA 3.49Å; F80-A92 CarbonylContact C-O 3.56Å; F80-A92 WeakPolarHBondContact CA-O 3.44Å; F80-A92 VanDerWaalsContact CB-O 3.31Å; F80-A92 WeakPolarHBondContact CB-O 3.29Å; S81-A92 PolarHBondContact N-O 3.27Å; S81-A92 PolarHBondContact O-N 2.99Å; A92-L101 HydrophobicContact CB-CB 3.71Å; A92-L101 HydrophobicContact CB-CD2 4.29Å; A92-L101 HydrophobicContact CB-CG 4.39Å; A92-V197 HydrophobicContact CB-CG1 4.32Å
93L98.1Very high95.3Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-144.4132.2179.7-171.8145.6000109.6T3 H4 L46 L49 M50 L53 Y54 P78 S79T3-L93 CarbonylContact C-O 3.59Å; T3-L93 WeakPolarHBondContact CA-O 3.32Å; H4-L93 PolarHBondContact N-O 3.14Å; H4-L93 PolarHBondContact O-N 2.99Å; L46-L93 HydrophobicContact CD1-CD1 4.11Å; L49-L93 HydrophobicContact CD2-CB 4Å; L49-L93 HydrophobicContact CD2-CD1 4.4Å; M50-L93 HydrophobicContact SD-CD1 3.39Å; M50-L93 WeakPolarHBondContact SD-CD1 3.39Å; L53-L93 HydrophobicContact CD1-CD2 4.16Å; Y54-L93 HydrophobicContact CE2-CD1 4.41Å; Y54-L93 HydrophobicContact CE2-CD2 3.77Å; Y54-L93 WeakPolarHBondContact OH-CD2 3.17Å; P78-L93 HydrophobicContact CB-CD1 4.36Å; P78-L93 HydrophobicContact CB-CD2 3.58Å; P78-L93 HydrophobicContact CB-CG 3.86Å; P78-L93 HydrophobicContact CG-CD1 3.82Å; P78-L93 HydrophobicContact CG-CD2 3.69Å; P78-L93 HydrophobicContact CG-CG 3.87Å; S79-L93 CarbonylContact O-C 3.54Å; S79-L93 VanDerWaalsContact O-CA 3.3Å; S79-L93 WeakPolarHBondContact O-CA 3.22Å
94T97.4Very high95.2Very high0 Ų024.8 Ų24.80%014%0.14CC..EExtended strand (participates in β ladder)trans-127.1137.5178.9-170.10000111.2T3 P78 S79 E96 C99 V199T3-T94 PolarHBondContact OG1-OG1 2.9Å; P78-T94 WeakPolarHBondContact CA-O 3.42Å; P78-T94 WeakPolarHBondContact CB-O 3.45Å; S79-T94 PolarHBondContact N-O 2.91Å; S79-T94 PolarHBondContact O-N 2.81Å; T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 WeakPolarHBondContact CG2-O 3.12Å; T94-E96 PolarHBondContact OG1-O 2.86Å; T94-C99 HydrophobicContact CG2-CB 3.67Å; T94-V199 HydrophobicContact CG2-CG1 4.44Å
95T94Very high95Very high62 Ų6222.4 Ų22.438%0.3813%0.132SC..SBendtrans-70.6-26.917958.20000112.9A2A2-T95 HydrophobicContact CB-CG2 4.16Å; A2-T95 PolarHBondContact N-OG1 2.88Å; A2-T95 PolarHBondContact O-N 3.44Å; A2-T95 PolarHBondContact O-OG1 3.23Å
96E92.7Very high94.5Very high102 Ų10222.8 Ų22.848%0.47713%0.133SC..SBendtrans-135.2147.1-177.1-65.5168.1-122.400109.4M1 T94M1-E96 WeakPolarHBondContact CA-OE1 3.4Å; M1-E96 HydrophobicContact CB-CB 4.32Å; M1-E96 HydrophobicContact CB-CG 4.48Å; M1-E96 WeakPolarHBondContact CB-OE1 3.49Å; M1-E96 HydrophobicContact CG-CB 3.95Å; M1-E96 PolarHBondContact N-OE1 2.83Å; M1-E96 VanDerWaalsContact N-OE1 3.15Å; M1-E96 HydrophobicContact SD-CB 4Å; T94-E96 VanDerWaalsContact C-N 3.29Å; T94-E96 WeakPolarHBondContact CG2-O 3.12Å; T94-E96 PolarHBondContact OG1-O 2.86Å
97G94.9Very high93.6Very high42 Ų4225.6 Ų25.643%0.43314%0.135SC..SBendtrans64.7-148.2-179.600000113.6S79 T200S79-G97 VanDerWaalsContact CB-O 3.29Å; S79-G97 WeakPolarHBondContact CB-O 3.37Å; G97-T200 WeakPolarHBondContact CA-O 3.28Å
98E96.1Very high92.2Very high83 Ų8326.3 Ų26.339%0.38815%0.152SC..  trans-118.6150.1-174.8-65.1-68153.500109.7K69 S79 L154 V199 T200K69-E98 IonicContact NZ-OE2 2.66Å; K69-E98 PolarHBondContact NZ-OE2 2.89Å; S79-E98 PolarHBondContact OG-OE2 3.01Å; E98-L154 HydrophobicContact CB-CD2 4.47Å; E98-L154 HydrophobicContact CB-CG 4.1Å; E98-L154 WeakPolarHBondContact O-CD1 3.34Å; E98-V199 CarbonylContact O-C 3.46Å; E98-V199 VanDerWaalsContact O-CA 3.32Å; E98-V199 WeakPolarHBondContact O-CA 3.45Å; E98-T200 PolarHBondContact N-OG1 2.86Å; E98-T200 PolarHBondContact O-N 2.89Å
99C97.7Very high90.5Very high0 Ų027.3 Ų27.30%016%0.16CC..EExtended strand (participates in β ladder)trans-131.8156.5173.869.70000112.6S79 T94 A198 V199S79-C99 PolarHBondContact O-SG 3.41Å; S79-C99 PolarHBondContact OG-N 2.86Å; T94-C99 HydrophobicContact CG2-CB 3.67Å; C99-A198 CarbonylContact C-O 3.49Å; C99-A198 WeakPolarHBondContact CA-O 3.46Å; C99-V199 HydrophobicContact CB-CG2 4.34Å
100G98Very high88.6Confident0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-138.5139.7173.700000110.1S150 V197 A198G100-S150 VanDerWaalsContact CA-O 3.29Å; G100-S150 WeakPolarHBondContact CA-O 3.49Å; G100-V197 CarbonylContact O-C 3.55Å; G100-V197 WeakPolarHBondContact O-CA 3.35Å; G100-A198 PolarHBondContact N-O 3.49Å; G100-A198 PolarHBondContact O-N 2.88Å
101L98.7Very high86.1Confident0 Ų032.6 Ų32.60%020%0.196CC..EExtended strand (participates in β ladder)trans-128.4129.6-178.617370.1000109.2F5 S81 S83 G90 A92 M103 K153 S196 V197F5-L101 HydrophobicContact CD2-CD1 3.73Å; F5-L101 HydrophobicContact CD2-CD2 3.94Å; F5-L101 HydrophobicContact CE2-CD1 3.68Å; F5-L101 HydrophobicContact CE2-CD2 3.81Å; F5-L101 HydrophobicContact CE2-CG 4.42Å; F5-L101 HydrophobicContact CG-CD1 4.3Å; F5-L101 HydrophobicContact CZ-CD1 4.18Å; S81-L101 PolarHBondContact OG-N 2.85Å; S83-L101 WeakPolarHBondContact CB-O 3.41Å; G90-L101 WeakPolarHBondContact O-CD2 3.32Å; A92-L101 HydrophobicContact CB-CB 3.71Å; A92-L101 HydrophobicContact CB-CD2 4.29Å; A92-L101 HydrophobicContact CB-CG 4.39Å; L101-M103 HydrophobicContact CD1-CG 4.32Å; L101-M103 HydrophobicContact CD2-SD 4.4Å; L101-K153 WeakPolarHBondContact O-CD 3.45Å; L101-K153 PolarHBondContact O-NZ 2.81Å; L101-S196 WeakPolarHBondContact CA-O 3.48Å; L101-V197 HydrophobicContact CD1-CG2 3.87Å
102D98.1Very high83.5Confident10 Ų1041.1 Ų41.15%0.05323%0.234CC..EExtended strand (participates in β ladder)trans-129.9157.1163.8-154.654.3000112S83 T146 R149 K153 W195 S196S83-D102 WeakPolarHBondContact OG-CA 3.1Å; S83-D102 PolarHBondContact OG-OD1 2.91Å; D102-T146 HydrophobicContact CB-CG2 3.87Å; D102-T146 WeakPolarHBondContact CB-O 3Å; D102-T146 VanDerWaalsContact O-CG2 3.27Å; D102-T146 WeakPolarHBondContact O-CG2 3.12Å; D102-R149 HydrophobicContact CB-CB 3.71Å; D102-R149 VanDerWaalsContact CG-CB 3.41Å; D102-R149 VanDerWaalsContact OD2-CB 3.29Å; D102-R149 WeakPolarHBondContact OD2-CB 3.37Å; D102-R149 WeakPolarHBondContact OD2-CD 2.83Å; D102-R149 IonicContact OD2-NH1 2.61Å; D102-K153 WeakPolarHBondContact OD1-CE 3.41Å; D102-K153 IonicContact OD1-NZ 3.18Å; D102-K153 PolarHBondContact OD1-NZ 3.3Å; D102-W195 WeakPolarHBondContact O-CA 3.47Å; D102-S196 PolarHBondContact N-O 2.8Å; D102-S196 PolarHBondContact O-N 3.01Å
103M97.5Very high80.9Confident6 Ų648.1 Ų48.13%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-147.5139.8-174-75.6173.454.600109.3F5 S83 A85 M88 G90 L101 L193 V194 W195F5-M103 HydrophobicContact CE2-SD 3.94Å; F5-M103 HydrophobicContact CZ-CG 4.34Å; F5-M103 HydrophobicContact CZ-SD 3.91Å; S83-M103 PolarHBondContact OG-N 3.35Å; S83-M103 VanDerWaalsContact OG-N 3.12Å; A85-M103 HydrophobicContact CB-CB 3.85Å; A85-M103 HydrophobicContact CB-CE 4.17Å; M88-M103 HydrophobicContact CB-CE 3.79Å; M88-M103 HydrophobicContact CE-CE 4.39Å; G90-M103 VanDerWaalsContact CA-SD 3.59Å; L101-M103 HydrophobicContact CD1-CG 4.32Å; L101-M103 HydrophobicContact CD2-SD 4.4Å; M103-L193 HydrophobicContact CB-CD1 4.15Å; M103-L193 HydrophobicContact CE-CD1 3.73Å; M103-L193 HydrophobicContact CE-CD2 3.82Å; M103-L193 HydrophobicContact CE-CG 4.42Å; M103-L193 HydrophobicContact CG-CD1 4.49Å; M103-V194 CarbonylContact C-O 3.59Å; M103-V194 WeakPolarHBondContact CA-O 3.26Å; M103-W195 HydrophobicContact CG-CB 3.96Å
104E93.5Very high78.1Confident7 Ų750.9 Ų50.93%0.03329%0.285CS..EExtended strand (participates in β ladder)trans-145136-178-169.4163.4130.800110.7R110 T146 R149 V194E104-R110 IonicContact OE1-CZ 3.74Å; E104-R110 IonicContact OE1-NH2 2.7Å; E104-R110 PolarHBondContact OE1-NH2 3.15Å; E104-R110 IonicContact OE2-NH2 3.72Å; E104-R110 PolarHBondContact OE2-NH2 2.99Å; E104-T146 WeakPolarHBondContact CB-OG1 3.48Å; E104-R149 IonicContact OE2-NH1 2.97Å; E104-R149 PolarHBondContact OE2-NH1 3.23Å; E104-V194 PolarHBondContact N-O 2.75Å; E104-V194 PolarHBondContact O-N 2.92Å
105L91.1Very high75.5Confident26 Ų2655.5 Ų55.514%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-75134.2172.9-68.6-178000110.4A85 V192 L193A85-L105 HydrophobicContact CB-CD2 4.24Å; A85-L105 HydrophobicContact CB-CG 4.1Å; L105-V192 WeakPolarHBondContact CA-O 3.34Å; L105-V192 HydrophobicContact CD2-CG1 3.97Å; L105-L193 HydrophobicContact CD2-CD1 4.41Å
106Q81.8Confident72.8Confident14 Ų1460.2 Ų60.27%0.06533%0.333CS..  trans-53.2136174.1-76.7-106.122.100110.5A108 T109 E139 E190 V192 V194Q106-A108 PolarHBondContact O-N 3.04Å; Q106-A108 VanDerWaalsContact O-N 3.08Å; Q106-T109 PolarHBondContact O-N 3.48Å; Q106-T109 PolarHBondContact O-OG1 2.74Å; Q106-E139 PolarHBondContact NE2-OE2 2.93Å; Q106-E139 VanDerWaalsContact NE2-OE2 3.09Å; Q106-E190 WeakPolarHBondContact CG-O 3.33Å; Q106-E190 PolarHBondContact NE2-O 2.78Å; Q106-V192 PolarHBondContact N-O 3.3Å; Q106-V194 HydrophobicContact CG-CG2 4.22Å
107R68.9Low70.3Confident84 Ų8458.2 Ų58.232%0.31733%0.334SS..Hα-helixtrans-54.4-33.8-172.4-80.9-173.2177.3-173.9-7.1114.3T109 R110 D119 N138R107-T109 PolarHBondContact O-N 2.89Å; R107-T109 VanDerWaalsContact O-N 3.08Å; R107-R110 WeakPolarHBondContact O-CB 3.45Å; R107-R110 PolarHBondContact O-N 2.84Å; R107-D119 IonicContact CZ-OD2 2.87Å; R107-D119 IonicContact NE-OD2 3.51Å; R107-D119 PolarHBondContact NE-OD2 2.74Å; R107-D119 IonicContact NH2-OD2 3.84Å; R107-D119 PolarHBondContact NH2-OD2 3.02Å; R107-N138 PolarHBondContact NH1-OD1 3.36Å
108A58.9Low68Low95 Ų9560.7 Ų60.779%0.78534%0.342SS*.Hα-helixtrans-55.4-27.9175.700000112.7Q106Q106-A108 PolarHBondContact O-N 3.04Å; Q106-A108 VanDerWaalsContact O-N 3.08Å
109T55.2Low66.2Low43 Ų4358.8 Ų58.826%0.26433%0.334SS..Hα-helixtrans-92.9-14.3176.865.50000114Q106 R107 G111 F112 V192Q106-T109 PolarHBondContact O-N 3.48Å; Q106-T109 PolarHBondContact O-OG1 2.74Å; R107-T109 PolarHBondContact O-N 2.89Å; R107-T109 VanDerWaalsContact O-N 3.08Å; T109-G111 VanDerWaalsContact C-N 3.25Å; T109-G111 PolarHBondContact O-N 3.29Å; T109-F112 PolarHBondContact O-N 2.94Å; T109-V192 HydrophobicContact CG2-CG1 4.27Å
110R53.7Low64.6Low57 Ų5765.2 Ų65.222%0.21537%0.369CS..Hα-helixtrans-67.1-23.3178-75.8-170.9-179.7-175.2-5.1113.7E104 R107 F112 H113 S114 D119E104-R110 IonicContact OE1-CZ 3.74Å; E104-R110 IonicContact OE1-NH2 2.7Å; E104-R110 PolarHBondContact OE1-NH2 3.15Å; E104-R110 IonicContact OE2-NH2 3.72Å; E104-R110 PolarHBondContact OE2-NH2 2.99Å; R107-R110 WeakPolarHBondContact O-CB 3.45Å; R107-R110 PolarHBondContact O-N 2.84Å; R110-F112 PolarHBondContact O-N 2.82Å; R110-H113 PolarHBondContact O-N 3.2Å; R110-S114 CarbonylContact O-C 3.59Å; R110-S114 PolarHBondContact O-N 3.49Å; R110-D119 IonicContact NH1-OD1 3.07Å; R110-D119 PolarHBondContact NH1-OD1 2.87Å; R110-D119 IonicContact NH1-OD2 2.81Å; R110-D119 PolarHBondContact NH1-OD2 3.01Å
111G45.2Very low63.9Low53 Ų5366.7 Ų66.755%0.54638%0.376SS..THydrogen-bonded Turntrans-53.3-20.9178.100000114.1T109T109-G111 VanDerWaalsContact C-N 3.25Å; T109-G111 PolarHBondContact O-N 3.29Å
112F43Very low63.5Low180 Ų18072.4 Ų72.479%0.78941%0.411SS*.THydrogen-bonded Turntrans-93.7-14.7178.3-69.9-80000115.4T109 R110T109-F112 PolarHBondContact O-N 2.94Å; R110-F112 PolarHBondContact O-N 2.82Å
113H43.5Very low63.2Low147 Ų14773.5 Ų73.568%0.68142%0.415SS*.THydrogen-bonded Turntrans-128.3-20.6-172.8-68.7-45.8000115.8R110R110-H113 PolarHBondContact O-N 3.2Å
114S41Very low63.1Low57 Ų5775.8 Ų75.840%0.39943%0.432SS..  trans-174.6105.4161.9-176.40000109.5R110 H116 A117R110-S114 CarbonylContact O-C 3.59Å; R110-S114 PolarHBondContact O-N 3.49Å; S114-H116 PolarHBondContact O-N 2.85Å; S114-A117 PolarHBondContact OG-N 3.01Å
115P41.9Very low63.1Low97 Ų9780.4 Ų80.463%0.6347%0.465SS*.THydrogen-bonded Turntrans-70.7-8176.4-11.525.9000113.4
116H37Very low63.2Low162 Ų16283.9 Ų83.975%0.7548%0.483SS*.THydrogen-bonded Turntrans-135.423.4-161.6-67.5-47.6000114.9S114 P118S114-H116 PolarHBondContact O-N 2.85Å; H116-P118 WeakPolarHBondContact O-CD 3.1Å
117A40.9Very low63.9Low60 Ų6083.3 Ų83.350%0.49648%0.481SS..  trans-75.5105.3159.500000107S114 D119S114-A117 PolarHBondContact OG-N 3.01Å; A117-D119 PolarHBondContact O-N 3.1Å; A117-D119 VanDerWaalsContact O-N 3.13Å
118P46.4Very low65.2Low93 Ų9381.9 Ų81.960%0.60448%0.483SS*.  trans-60.4123.8172.228.5-33.8000106.6H116 N120H116-P118 WeakPolarHBondContact O-CD 3.1Å; P118-N120 WeakPolarHBondContact CB-OD1 3.27Å; P118-N120 WeakPolarHBondContact CG-OD1 3.35Å; P118-N120 PolarHBondContact O-N 2.98Å
119D58.5Low67Low43 Ų4381.5 Ų81.523%0.2347%0.468CS..  trans-66.883.1165.6-87.4-28.4000106R107 R110 A117 H121R107-D119 IonicContact CZ-OD2 2.87Å; R107-D119 IonicContact NE-OD2 3.51Å; R107-D119 PolarHBondContact NE-OD2 2.74Å; R107-D119 IonicContact NH2-OD2 3.84Å; R107-D119 PolarHBondContact NH2-OD2 3.02Å; R110-D119 IonicContact NH1-OD1 3.07Å; R110-D119 PolarHBondContact NH1-OD1 2.87Å; R110-D119 IonicContact NH1-OD2 2.81Å; R110-D119 PolarHBondContact NH1-OD2 3.01Å; A117-D119 PolarHBondContact O-N 3.1Å; A117-D119 VanDerWaalsContact O-N 3.13Å; D119-H121 PolarHBondContact O-N 3.17Å
120N65.1Low69Low135 Ų13580.9 Ų80.972%0.72246%0.461SS*.  trans-68.710.5174.9-76.9-7.9000111.9P118 T122P118-N120 WeakPolarHBondContact CB-OD1 3.27Å; P118-N120 WeakPolarHBondContact CG-OD1 3.35Å; P118-N120 PolarHBondContact O-N 2.98Å; N120-T122 PolarHBondContact O-N 2.83Å
121H83Confident71Confident32 Ų3278.3 Ų78.315%0.14845%0.451CS..  trans-66.7118.7176.9-166.976.2000109.4D119 F123 I145 R148 D161D119-H121 PolarHBondContact O-N 3.17Å; H121-F123 HydrophobicContact CB-CE2 4.38Å; H121-F123 HydrophobicContact CB-CZ 4.45Å; H121-F123 AromaticContact CD2-CD1 3.65Å; H121-F123 AromaticContact CD2-CE1 3.49Å; H121-F123 VanDerWaalsContact CD2-CE1 3.49Å; H121-F123 WeakPolarHBondContact CD2-CE1 3.46Å; H121-F123 AromaticContact CD2-CE2 3.89Å; H121-F123 AromaticContact CD2-CG 3.93Å; H121-F123 AromaticContact CD2-CZ 3.63Å; H121-I145 HydrophobicContact CB-CD1 3.83Å; H121-I145 HydrophobicContact CB-CG1 3.98Å; H121-R148 WeakPolarHBondContact CE1-CD 3.25Å; H121-R148 PolarHBondContact NE2-NH1 2.9Å; H121-D161 IonicContact CE1-OD2 3.56Å; H121-D161 PolarHBondContact CE1-OD2 2.79Å; H121-D161 IonicContact ND1-OD2 2.65Å
122T89Confident73.5Confident120 Ų12079.6 Ų79.674%0.73645%0.452SS*.  trans-88.9114.8176.8-57.90000108.8N120N120-T122 PolarHBondContact O-N 2.83Å
123F92.9Very high76Confident33 Ų3377.9 Ų77.915%0.14544%0.444CS..  trans-87143.1175-64.9-78.9000110.5H121 E127 S128 I131 R141 L144 I145H121-F123 HydrophobicContact CB-CE2 4.38Å; H121-F123 HydrophobicContact CB-CZ 4.45Å; H121-F123 AromaticContact CD2-CD1 3.65Å; H121-F123 AromaticContact CD2-CE1 3.49Å; H121-F123 VanDerWaalsContact CD2-CE1 3.49Å; H121-F123 WeakPolarHBondContact CD2-CE1 3.46Å; H121-F123 AromaticContact CD2-CE2 3.89Å; H121-F123 AromaticContact CD2-CG 3.93Å; H121-F123 AromaticContact CD2-CZ 3.63Å; F123-E127 HydrophobicContact CB-CB 4.04Å; F123-E127 HydrophobicContact CD1-CB 4.08Å; F123-S128 WeakPolarHBondContact CB-OG 3.23Å; F123-I131 HydrophobicContact CB-CD1 4.48Å; F123-I131 HydrophobicContact CD1-CD1 3.64Å; F123-I131 HydrophobicContact CD2-CD1 4.07Å; F123-I131 HydrophobicContact CE1-CD1 3.76Å; F123-I131 HydrophobicContact CE2-CD1 4.18Å; F123-I131 HydrophobicContact CG-CD1 3.79Å; F123-I131 HydrophobicContact CZ-CD1 4.02Å; F123-R141 HydrophobicContact CE2-CB 4.37Å; F123-R141 HydrophobicContact CE2-CG 3.88Å; F123-R141 HydrophobicContact CZ-CB 3.94Å; F123-R141 HydrophobicContact CZ-CG 3.85Å; F123-L144 HydrophobicContact CD1-CD1 4.47Å; F123-L144 HydrophobicContact CE1-CB 4Å; F123-L144 HydrophobicContact CE1-CD1 4.37Å; F123-I145 HydrophobicContact CE1-CG1 4.19Å; F123-I145 HydrophobicContact CZ-CD1 3.87Å; F123-I145 HydrophobicContact CZ-CG1 3.78Å
124S93.8Very high78.5Confident53 Ų5374 Ų7437%0.37143%0.427SS..  trans-61.7163166.9660000110.9N126 E127 S128S124-N126 PolarHBondContact O-N 2.74Å; S124-E127 VanDerWaalsContact CB-OE2 3.28Å; S124-E127 WeakPolarHBondContact CB-OE2 3.39Å; S124-E127 PolarHBondContact N-OE2 3.23Å; S124-E127 PolarHBondContact O-N 3.16Å; S124-E127 WeakPolarHBondContact OG-CB 3.23Å; S124-E127 VanDerWaalsContact OG-CG 3.28Å; S124-E127 WeakPolarHBondContact OG-CG 3.04Å; S124-E127 PolarHBondContact OG-N 2.98Å; S124-E127 PolarHBondContact OG-OE2 3.04Å; S124-S128 WeakPolarHBondContact O-CB 3.49Å; S124-S128 PolarHBondContact O-N 3.08Å; S124-S128 PolarHBondContact O-OG 3.27Å
125S93.6Very high80.9Confident105 Ų10579.7 Ų79.773%0.73445%0.452SS*.Hα-helixtrans-58.9-36.8176.1-50.20000112.1L129S125-L129 VanDerWaalsContact O-CB 3.3Å; S125-L129 WeakPolarHBondContact O-CB 3.47Å; S125-L129 PolarHBondContact O-N 3.25Å
126N93.4Very high83.4Confident98 Ų9878.2 Ų78.252%0.52444%0.439SS..Hα-helixtrans-67.8-45.2177.9-72-16.9000112S124 W130S124-N126 PolarHBondContact O-N 2.74Å; N126-W130 WeakPolarHBondContact O-CB 3.44Å; N126-W130 PolarHBondContact O-N 2.85Å
127E96.4Very high86.1Confident3 Ų372.5 Ų72.51%0.01442%0.417CS..Hα-helixtrans-63.5-45175.1-70.916412500110.8F123 S124 L129 W130 I131 L144 R148F123-E127 HydrophobicContact CB-CB 4.04Å; F123-E127 HydrophobicContact CD1-CB 4.08Å; S124-E127 VanDerWaalsContact CB-OE2 3.28Å; S124-E127 WeakPolarHBondContact CB-OE2 3.39Å; S124-E127 PolarHBondContact N-OE2 3.23Å; S124-E127 PolarHBondContact O-N 3.16Å; S124-E127 WeakPolarHBondContact OG-CB 3.23Å; S124-E127 VanDerWaalsContact OG-CG 3.28Å; S124-E127 WeakPolarHBondContact OG-CG 3.04Å; S124-E127 PolarHBondContact OG-N 2.98Å; S124-E127 PolarHBondContact OG-OE2 3.04Å; E127-L129 PolarHBondContact O-N 3.12Å; E127-W130 PolarHBondContact O-N 2.9Å; E127-I131 WeakPolarHBondContact O-CB 3.49Å; E127-I131 WeakPolarHBondContact O-CD1 3.37Å; E127-I131 VanDerWaalsContact O-CG1 3.25Å; E127-I131 WeakPolarHBondContact O-CG1 3.46Å; E127-I131 PolarHBondContact O-N 2.94Å; E127-L144 HydrophobicContact CB-CD1 4.07Å; E127-L144 HydrophobicContact CG-CD1 4.15Å; E127-R148 IonicContact OE1-CZ 3.96Å; E127-R148 VanDerWaalsContact OE1-CZ 3.25Å; E127-R148 IonicContact OE1-NH1 3.73Å; E127-R148 PolarHBondContact OE1-NH1 2.89Å; E127-R148 IonicContact OE1-NH2 3.18Å; E127-R148 PolarHBondContact OE1-NH2 2.89Å; E127-R148 IonicContact OE2-NH2 3.63Å; E127-R148 PolarHBondContact OE2-NH2 2.86Å
128S96.5Very high88.5Confident53 Ų5372.8 Ų72.837%0.37141%0.409SS..Hα-helixtrans-59.7-44.7179.3-60.90000112.1F123 S124 W130 I131 S132F123-S128 WeakPolarHBondContact CB-OG 3.23Å; S124-S128 WeakPolarHBondContact O-CB 3.49Å; S124-S128 PolarHBondContact O-N 3.08Å; S124-S128 PolarHBondContact O-OG 3.27Å; S128-W130 VanDerWaalsContact C-N 3.35Å; S128-I131 PolarHBondContact O-N 3.34Å; S128-S132 PolarHBondContact O-N 3.12Å
129L96.9Very high90.8Very high88 Ų8869.2 Ų69.246%0.46139%0.385SS..Hα-helixtrans-65.9-37.4176.6-179.863.9000112.1S125 E127 S132 K133S125-L129 VanDerWaalsContact O-CB 3.3Å; S125-L129 WeakPolarHBondContact O-CB 3.47Å; S125-L129 PolarHBondContact O-N 3.25Å; E127-L129 PolarHBondContact O-N 3.12Å; L129-S132 PolarHBondContact O-OG 2.81Å; L129-K133 WeakPolarHBondContact O-CG 3.29Å
130W96.9Very high92.5Very high29 Ų2967.2 Ų67.211%0.1137%0.374CS..Hα-helixtrans-68-45.1175.9177.484000111.4N126 E127 S128 S132 K133 Q134 A140 L144 P170 I171 M235N126-W130 WeakPolarHBondContact O-CB 3.44Å; N126-W130 PolarHBondContact O-N 2.85Å; E127-W130 PolarHBondContact O-N 2.9Å; S128-W130 VanDerWaalsContact C-N 3.35Å; W130-S132 VanDerWaalsContact C-N 3.32Å; W130-S132 PolarHBondContact O-N 2.79Å; W130-K133 PolarHBondContact O-N 2.91Å; W130-K133 VanDerWaalsContact O-N 3.1Å; W130-Q134 HydrophobicContact CD2-CG 4.24Å; W130-Q134 VanDerWaalsContact CE2-NE2 3.29Å; W130-Q134 HydrophobicContact CE3-CG 4.19Å; W130-Q134 HydrophobicContact CH2-CG 3.86Å; W130-Q134 HydrophobicContact CZ2-CG 3.91Å; W130-Q134 HydrophobicContact CZ3-CG 4.02Å; W130-Q134 WeakPolarHBondContact O-CG 3.27Å; W130-Q134 PolarHBondContact O-N 3.03Å; W130-Q134 PolarHBondContact O-NE2 3.5Å; W130-A140 HydrophobicContact CH2-CB 4.14Å; W130-A140 HydrophobicContact CZ3-CB 3.73Å; W130-L144 HydrophobicContact CE3-CD1 3.81Å; W130-L144 HydrophobicContact CE3-CG 4.37Å; W130-L144 HydrophobicContact CZ3-CD1 3.83Å; W130-L144 HydrophobicContact CZ3-CD2 4.18Å; W130-L144 HydrophobicContact CZ3-CG 3.9Å; W130-P170 HydrophobicContact CB-CB 4.48Å; W130-P170 HydrophobicContact CB-CG 3.71Å; W130-P170 HydrophobicContact CD2-CB 3.47Å; W130-P170 VanDerWaalsContact CD2-CB 3.47Å; W130-P170 HydrophobicContact CD2-CG 3.62Å; W130-P170 HydrophobicContact CE3-CB 3.83Å; W130-P170 HydrophobicContact CE3-CG 3.9Å; W130-P170 HydrophobicContact CG-CB 3.75Å; W130-P170 HydrophobicContact CG-CG 3.51Å; W130-P170 HydrophobicContact CH2-CB 4.49Å; W130-P170 HydrophobicContact CZ2-CB 4.18Å; W130-P170 HydrophobicContact CZ3-CB 4.31Å; W130-I171 HydrophobicContact CB-CG1 4.29Å; W130-I171 VanDerWaalsContact CD1-CG1 3.49Å; W130-I171 HydrophobicContact CG-CG1 4.2Å; W130-M235 HydrophobicContact CH2-CE 4.24Å; W130-M235 HydrophobicContact CH2-SD 3.48Å; W130-M235 WeakPolarHBondContact CH2-SD 3.36Å; W130-M235 HydrophobicContact CZ2-SD 3.75Å; W130-M235 HydrophobicContact CZ3-SD 4.5Å
131I96.6Very high93.9Very high4 Ų464.6 Ų64.62%0.02135%0.354CS..Hα-helixtrans-55.3-47.1176.3-73.7159.5000110.5F123 E127 S128 K133 Q134 P137 A140 R141 L144F123-I131 HydrophobicContact CB-CD1 4.48Å; F123-I131 HydrophobicContact CD1-CD1 3.64Å; F123-I131 HydrophobicContact CD2-CD1 4.07Å; F123-I131 HydrophobicContact CE1-CD1 3.76Å; F123-I131 HydrophobicContact CE2-CD1 4.18Å; F123-I131 HydrophobicContact CG-CD1 3.79Å; F123-I131 HydrophobicContact CZ-CD1 4.02Å; E127-I131 WeakPolarHBondContact O-CB 3.49Å; E127-I131 WeakPolarHBondContact O-CD1 3.37Å; E127-I131 VanDerWaalsContact O-CG1 3.25Å; E127-I131 WeakPolarHBondContact O-CG1 3.46Å; E127-I131 PolarHBondContact O-N 2.94Å; S128-I131 PolarHBondContact O-N 3.34Å; I131-K133 PolarHBondContact O-N 2.9Å; I131-K133 VanDerWaalsContact O-N 3.11Å; I131-Q134 PolarHBondContact O-N 2.97Å; I131-Q134 VanDerWaalsContact O-N 3.12Å; I131-P137 HydrophobicContact CG2-CB 3.98Å; I131-A140 HydrophobicContact CG1-CB 4.31Å; I131-A140 HydrophobicContact CG2-CB 4.45Å; I131-R141 HydrophobicContact CD1-CG 3.8Å; I131-R141 HydrophobicContact CG1-CG 4.26Å; I131-R141 HydrophobicContact CG2-CG 3.83Å; I131-L144 HydrophobicContact CD1-CD1 3.97Å; I131-L144 HydrophobicContact CG1-CD1 3.94Å
132S96.5Very high94.5Very high80 Ų8063.1 Ų63.156%0.55935%0.348SS*.THydrogen-bonded Turntrans-66.2-14.5-177.267.30000113.9S128 L129 W130S128-S132 PolarHBondContact O-N 3.12Å; L129-S132 PolarHBondContact O-OG 2.81Å; W130-S132 VanDerWaalsContact C-N 3.32Å; W130-S132 PolarHBondContact O-N 2.79Å
133K96.9Very high94.8Very high144 Ų14457.9 Ų57.963%0.62632%0.315SS*.THydrogen-bonded Turntrans-97.1-4.5178.4-69.7-179.7178.7-174.80113.4L129 W130 I131L129-K133 WeakPolarHBondContact O-CG 3.29Å; W130-K133 PolarHBondContact O-N 2.91Å; W130-K133 VanDerWaalsContact O-N 3.1Å; I131-K133 PolarHBondContact O-N 2.9Å; I131-K133 VanDerWaalsContact O-N 3.11Å
134Q94.9Very high95Very high66 Ų6656.3 Ų56.331%0.30831%0.308SS..SBendtrans-80.7151.7177.5-57.7-43.2-63.100111.2W130 I131 D136 A140W130-Q134 HydrophobicContact CD2-CG 4.24Å; W130-Q134 VanDerWaalsContact CE2-NE2 3.29Å; W130-Q134 HydrophobicContact CE3-CG 4.19Å; W130-Q134 HydrophobicContact CH2-CG 3.86Å; W130-Q134 HydrophobicContact CZ2-CG 3.91Å; W130-Q134 HydrophobicContact CZ3-CG 4.02Å; W130-Q134 WeakPolarHBondContact O-CG 3.27Å; W130-Q134 PolarHBondContact O-N 3.03Å; W130-Q134 PolarHBondContact O-NE2 3.5Å; I131-Q134 PolarHBondContact O-N 2.97Å; I131-Q134 VanDerWaalsContact O-N 3.12Å; Q134-D136 VanDerWaalsContact C-N 3.27Å; Q134-D136 PolarHBondContact O-N 3.43Å; Q134-A140 HydrophobicContact CB-CB 3.87Å; Q134-A140 HydrophobicContact CG-CB 3.6Å
135N92.8Very high95Very high176 Ų17653.8 Ų53.894%0.94129%0.29SS*.SBendtrans-59.5-39.9176-67.5-26.8000111.7
136D93.3Very high95.2Very high65 Ų6548.8 Ų48.835%0.34826%0.255SS..  trans-119.697.6171.7-171.2-23.8000110.6Q134 N138 E139 A140Q134-D136 VanDerWaalsContact C-N 3.27Å; Q134-D136 PolarHBondContact O-N 3.43Å; D136-N138 PolarHBondContact O-N 2.78Å; D136-N138 WeakPolarHBondContact OD1-CA 3.21Å; D136-N138 VanDerWaalsContact OD1-CB 3.32Å; D136-N138 WeakPolarHBondContact OD1-CB 3.44Å; D136-N138 PolarHBondContact OD1-N 2.8Å; D136-E139 HydrophobicContact CB-CB 3.91Å; D136-E139 PolarHBondContact O-N 3.4Å; D136-E139 PolarHBondContact OD1-N 2.95Å; D136-A140 WeakPolarHBondContact O-CB 3.36Å; D136-A140 PolarHBondContact O-N 2.95Å
137P93.4Very high95.4Very high43 Ų4344.1 Ų44.128%0.27923%0.23SC..Hα-helixtrans-65.3-20177-25.435.8000114.7I131 R141I131-P137 HydrophobicContact CG2-CB 3.98Å; P137-R141 VanDerWaalsContact O-CG 3.28Å; P137-R141 WeakPolarHBondContact O-CG 3.36Å; P137-R141 PolarHBondContact O-N 2.93Å; P137-R141 PolarHBondContact O-NH1 2.82Å
138N92Very high95.4Very high65 Ų6544.4 Ų44.435%0.34823%0.232SC..Hα-helixtrans-77.7-44.9177.4-73.8-44.1000110.8R107 D136 R141 A142R107-N138 PolarHBondContact NH1-OD1 3.36Å; D136-N138 PolarHBondContact O-N 2.78Å; D136-N138 WeakPolarHBondContact OD1-CA 3.21Å; D136-N138 VanDerWaalsContact OD1-CB 3.32Å; D136-N138 WeakPolarHBondContact OD1-CB 3.44Å; D136-N138 PolarHBondContact OD1-N 2.8Å; N138-R141 PolarHBondContact O-N 3.14Å; N138-R141 PolarHBondContact OD1-NH1 2.88Å; N138-A142 PolarHBondContact O-N 3.21Å
139E93.8Very high95.3Very high19 Ų1946.7 Ų46.79%0.08923%0.232CC..Hα-helixtrans-59.1-48.5172.5-178-179.494.700111Q106 D136 R141 A142 Q143 A189 R233Q106-E139 PolarHBondContact NE2-OE2 2.93Å; Q106-E139 VanDerWaalsContact NE2-OE2 3.09Å; D136-E139 HydrophobicContact CB-CB 3.91Å; D136-E139 PolarHBondContact O-N 3.4Å; D136-E139 PolarHBondContact OD1-N 2.95Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 2.83Å; E139-A142 WeakPolarHBondContact O-CB 3.49Å; E139-A142 PolarHBondContact O-N 2.81Å; E139-Q143 HydrophobicContact CG-CG 4.25Å; E139-Q143 WeakPolarHBondContact O-CG 3.31Å; E139-Q143 PolarHBondContact O-N 2.85Å; E139-A189 HydrophobicContact CG-CB 3.71Å; E139-R233 VanDerWaalsContact OE1-CD 3.24Å; E139-R233 WeakPolarHBondContact OE1-CD 3.27Å; E139-R233 IonicContact OE1-NE 3.97Å; E139-R233 WeakPolarHBondContact OE2-CD 3.37Å; E139-R233 IonicContact OE2-CZ 3.14Å; E139-R233 IonicContact OE2-NE 3.19Å; E139-R233 PolarHBondContact OE2-NE 3.42Å; E139-R233 IonicContact OE2-NH1 3.25Å; E139-R233 PolarHBondContact OE2-NH1 3.27Å
140A95Very high95.4Very high1 Ų142.5 Ų42.51%0.00821%0.21CC..Hα-helixtrans-55-41.2178.500000112.6W130 I131 Q134 D136 L144W130-A140 HydrophobicContact CH2-CB 4.14Å; W130-A140 HydrophobicContact CZ3-CB 3.73Å; I131-A140 HydrophobicContact CG1-CB 4.31Å; I131-A140 HydrophobicContact CG2-CB 4.45Å; Q134-A140 HydrophobicContact CB-CB 3.87Å; Q134-A140 HydrophobicContact CG-CB 3.6Å; D136-A140 WeakPolarHBondContact O-CB 3.36Å; D136-A140 PolarHBondContact O-N 2.95Å; A140-L144 WeakPolarHBondContact O-CG 3.21Å; A140-L144 PolarHBondContact O-N 2.84Å; A140-L144 VanDerWaalsContact O-N 3.12Å
141R95Very high95.4Very high79 Ų7941.1 Ų41.130%0.29821%0.205SC..Hα-helixtrans-63.4-49.6173.8-75.4178.6-167.2102.4-6.5111.7F123 I131 P137 N138 E139 Q143 L144 I145F123-R141 HydrophobicContact CE2-CB 4.37Å; F123-R141 HydrophobicContact CE2-CG 3.88Å; F123-R141 HydrophobicContact CZ-CB 3.94Å; F123-R141 HydrophobicContact CZ-CG 3.85Å; I131-R141 HydrophobicContact CD1-CG 3.8Å; I131-R141 HydrophobicContact CG1-CG 4.26Å; I131-R141 HydrophobicContact CG2-CG 3.83Å; P137-R141 VanDerWaalsContact O-CG 3.28Å; P137-R141 WeakPolarHBondContact O-CG 3.36Å; P137-R141 PolarHBondContact O-N 2.93Å; P137-R141 PolarHBondContact O-NH1 2.82Å; N138-R141 PolarHBondContact O-N 3.14Å; N138-R141 PolarHBondContact OD1-NH1 2.88Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 2.83Å; R141-Q143 VanDerWaalsContact C-N 3.27Å; R141-Q143 PolarHBondContact O-N 2.87Å; R141-L144 PolarHBondContact O-N 3.12Å; R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 2.93Å
142A94.4Very high95.3Very high2 Ų241.6 Ų41.62%0.01721%0.207CC..Hα-helixtrans-59.1-41.5-179.200000111N138 E139 I145 T146 V194N138-A142 PolarHBondContact O-N 3.21Å; E139-A142 WeakPolarHBondContact O-CB 3.49Å; E139-A142 PolarHBondContact O-N 2.81Å; A142-I145 PolarHBondContact O-N 2.86Å; A142-T146 VanDerWaalsContact O-CB 3.27Å; A142-T146 WeakPolarHBondContact O-CB 3.44Å; A142-T146 PolarHBondContact O-N 2.81Å; A142-T146 PolarHBondContact O-OG1 2.8Å; A142-V194 HydrophobicContact CB-CG2 4.02Å
143Q96.2Very high95.3Very high9 Ų939.9 Ų39.94%0.04219%0.19CC..Hα-helixtrans-64.3-46.1176.9-65.8179.6-48.300113.2E139 R141 T146 L147 A189 V194 R233 M235E139-Q143 HydrophobicContact CG-CG 4.25Å; E139-Q143 WeakPolarHBondContact O-CG 3.31Å; E139-Q143 PolarHBondContact O-N 2.85Å; R141-Q143 VanDerWaalsContact C-N 3.27Å; R141-Q143 PolarHBondContact O-N 2.87Å; Q143-T146 PolarHBondContact O-N 2.97Å; Q143-L147 VanDerWaalsContact O-CB 3.25Å; Q143-L147 WeakPolarHBondContact O-CB 3.35Å; Q143-L147 PolarHBondContact O-N 3.2Å; Q143-A189 HydrophobicContact CG-CB 4.01Å; Q143-V194 HydrophobicContact CB-CG1 4.26Å; Q143-V194 HydrophobicContact CG-CG1 3.83Å; Q143-V194 HydrophobicContact CG-CG2 4.41Å; Q143-R233 PolarHBondContact NE2-O 2.79Å; Q143-M235 HydrophobicContact CB-CE 3.28Å; Q143-M235 HydrophobicContact CG-CE 4.02Å
144L96.3Very high95.3Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-65.6-38.9178.3-69.2-173.8000112.5F123 E127 W130 I131 A140 R141 R148 L168 P170 M235 F237F123-L144 HydrophobicContact CD1-CD1 4.47Å; F123-L144 HydrophobicContact CE1-CB 4Å; F123-L144 HydrophobicContact CE1-CD1 4.37Å; E127-L144 HydrophobicContact CB-CD1 4.07Å; E127-L144 HydrophobicContact CG-CD1 4.15Å; W130-L144 HydrophobicContact CE3-CD1 3.81Å; W130-L144 HydrophobicContact CE3-CG 4.37Å; W130-L144 HydrophobicContact CZ3-CD1 3.83Å; W130-L144 HydrophobicContact CZ3-CD2 4.18Å; W130-L144 HydrophobicContact CZ3-CG 3.9Å; I131-L144 HydrophobicContact CD1-CD1 3.97Å; I131-L144 HydrophobicContact CG1-CD1 3.94Å; A140-L144 WeakPolarHBondContact O-CG 3.21Å; A140-L144 PolarHBondContact O-N 2.84Å; A140-L144 VanDerWaalsContact O-N 3.12Å; R141-L144 PolarHBondContact O-N 3.12Å; L144-R148 WeakPolarHBondContact O-CB 3.3Å; L144-R148 PolarHBondContact O-N 2.78Å; L144-L168 HydrophobicContact CB-CD1 4.41Å; L144-L168 HydrophobicContact CD2-CD1 4.14Å; L144-L168 WeakPolarHBondContact O-CD1 3.5Å; L144-P170 HydrophobicContact CD1-CG 4.45Å; L144-P170 HydrophobicContact CD2-CB 4.13Å; L144-M235 HydrophobicContact CD2-CE 4.37Å; L144-F237 HydrophobicContact CD2-CZ 3.98Å
145I94.9Very high95.2Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-63.1-48.6174.8-70.4168000110.3H121 F123 R141 A142 L147 R148 R149H121-I145 HydrophobicContact CB-CD1 3.83Å; H121-I145 HydrophobicContact CB-CG1 3.98Å; F123-I145 HydrophobicContact CE1-CG1 4.19Å; F123-I145 HydrophobicContact CZ-CD1 3.87Å; F123-I145 HydrophobicContact CZ-CG1 3.78Å; R141-I145 WeakPolarHBondContact O-CG1 3.25Å; R141-I145 PolarHBondContact O-N 2.93Å; A142-I145 PolarHBondContact O-N 2.86Å; I145-L147 PolarHBondContact O-N 3.4Å; I145-R148 PolarHBondContact O-N 2.84Å; I145-R149 WeakPolarHBondContact O-CB 3.33Å; I145-R149 WeakPolarHBondContact O-CG 3.4Å; I145-R149 PolarHBondContact O-N 3.35Å
146T96.5Very high95.2Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-63.8-43.5-178.7-53.40000110.9D102 E104 A142 Q143 R149 S150 V194D102-T146 HydrophobicContact CB-CG2 3.87Å; D102-T146 WeakPolarHBondContact CB-O 3Å; D102-T146 VanDerWaalsContact O-CG2 3.27Å; D102-T146 WeakPolarHBondContact O-CG2 3.12Å; E104-T146 WeakPolarHBondContact CB-OG1 3.48Å; A142-T146 VanDerWaalsContact O-CB 3.27Å; A142-T146 WeakPolarHBondContact O-CB 3.44Å; A142-T146 PolarHBondContact O-N 2.81Å; A142-T146 PolarHBondContact O-OG1 2.8Å; Q143-T146 PolarHBondContact O-N 2.97Å; T146-R149 PolarHBondContact O-N 2.92Å; T146-S150 PolarHBondContact O-N 3.04Å; T146-V194 HydrophobicContact CG2-CG1 4.21Å
147L97.4Very high95Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-64.5-42.5176.9-171.5149.7000112.2Q143 I145 S150 V151 L168 A185 C187 S196 F237Q143-L147 VanDerWaalsContact O-CB 3.25Å; Q143-L147 WeakPolarHBondContact O-CB 3.35Å; Q143-L147 PolarHBondContact O-N 3.2Å; I145-L147 PolarHBondContact O-N 3.4Å; L147-S150 PolarHBondContact O-N 2.97Å; L147-S150 PolarHBondContact O-OG 3.24Å; L147-V151 WeakPolarHBondContact O-CG2 3.36Å; L147-V151 PolarHBondContact O-N 3.39Å; L147-L168 HydrophobicContact CD2-CD1 3.73Å; L147-L168 HydrophobicContact CD2-CD2 3.42Å; L147-L168 VanDerWaalsContact CD2-CD2 3.42Å; L147-L168 HydrophobicContact CD2-CG 4.22Å; L147-A185 HydrophobicContact CD1-CB 4.12Å; L147-A185 HydrophobicContact CD2-CB 4.13Å; L147-A185 HydrophobicContact CG-CB 3.91Å; L147-C187 HydrophobicContact CB-CB 4.32Å; L147-C187 HydrophobicContact CD1-CB 3.9Å; L147-S196 WeakPolarHBondContact CA-OG 3.29Å; L147-F237 HydrophobicContact CD1-CB 4.23Å; L147-F237 HydrophobicContact CD1-CD2 3.27Å; L147-F237 HydrophobicContact CD1-CE2 3.63Å; L147-F237 HydrophobicContact CD1-CG 3.78Å; L147-F237 HydrophobicContact CD1-CZ 4.38Å; L147-F237 HydrophobicContact CD2-CB 4.49Å; L147-F237 HydrophobicContact CD2-CD1 4.28Å; L147-F237 HydrophobicContact CD2-CD2 4.43Å; L147-F237 HydrophobicContact CD2-CG 4.18Å
148R96.6Very high94.7Very high10 Ų1024.7 Ų24.74%0.03812%0.121CC..Hα-helixtrans-60-50.4175.4-178.6-178.1-107.21064.5111.2H121 E127 L144 I145 S150 V151 L152 D161 L166 L168H121-R148 WeakPolarHBondContact CE1-CD 3.25Å; H121-R148 PolarHBondContact NE2-NH1 2.9Å; E127-R148 IonicContact OE1-CZ 3.96Å; E127-R148 VanDerWaalsContact OE1-CZ 3.25Å; E127-R148 IonicContact OE1-NH1 3.73Å; E127-R148 PolarHBondContact OE1-NH1 2.89Å; E127-R148 IonicContact OE1-NH2 3.18Å; E127-R148 PolarHBondContact OE1-NH2 2.89Å; E127-R148 IonicContact OE2-NH2 3.63Å; E127-R148 PolarHBondContact OE2-NH2 2.86Å; L144-R148 WeakPolarHBondContact O-CB 3.3Å; L144-R148 PolarHBondContact O-N 2.78Å; I145-R148 PolarHBondContact O-N 2.84Å; R148-S150 VanDerWaalsContact C-N 3.3Å; R148-S150 PolarHBondContact O-N 2.95Å; R148-V151 PolarHBondContact O-N 3.25Å; R148-V151 VanDerWaalsContact O-N 3.14Å; R148-L152 HydrophobicContact CG-CD1 4.29Å; R148-L152 WeakPolarHBondContact O-CG 3.39Å; R148-L152 PolarHBondContact O-N 2.81Å; R148-D161 WeakPolarHBondContact CD-OD1 3.36Å; R148-D161 IonicContact CZ-OD1 2.74Å; R148-D161 IonicContact NE-OD1 3.25Å; R148-D161 PolarHBondContact NE-OD1 3.27Å; R148-D161 IonicContact NE-OD2 3.89Å; R148-L166 HydrophobicContact CG-CD2 3.65Å; R148-L166 HydrophobicContact CG-CG 4.48Å; R148-L168 HydrophobicContact CB-CD1 3.99Å
149R96.2Very high94.4Very high101 Ų10129.2 Ų29.238%0.38114%0.144SC..Hα-helixtrans-63.1-34179.9-74.8175.8177.9157.16.7112.8D102 E104 I145 T146 V151 L152 K153D102-R149 HydrophobicContact CB-CB 3.71Å; D102-R149 VanDerWaalsContact CG-CB 3.41Å; D102-R149 VanDerWaalsContact OD2-CB 3.29Å; D102-R149 WeakPolarHBondContact OD2-CB 3.37Å; D102-R149 WeakPolarHBondContact OD2-CD 2.83Å; D102-R149 IonicContact OD2-NH1 2.61Å; E104-R149 IonicContact OE2-NH1 2.97Å; E104-R149 PolarHBondContact OE2-NH1 3.23Å; I145-R149 WeakPolarHBondContact O-CB 3.33Å; I145-R149 WeakPolarHBondContact O-CG 3.4Å; I145-R149 PolarHBondContact O-N 3.35Å; T146-R149 PolarHBondContact O-N 2.92Å; R149-V151 VanDerWaalsContact C-N 3.35Å; R149-L152 PolarHBondContact O-N 3.11Å; R149-K153 WeakPolarHBondContact O-CB 3.4Å; R149-K153 WeakPolarHBondContact O-CG 3.4Å; R149-K153 PolarHBondContact O-N 3.39Å
150S97.7Very high94Very high0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-64.1-41.6174.975.20000110.8G100 T146 L147 R148 K153 L154 S196G100-S150 VanDerWaalsContact CA-O 3.29Å; G100-S150 WeakPolarHBondContact CA-O 3.49Å; T146-S150 PolarHBondContact O-N 3.04Å; L147-S150 PolarHBondContact O-N 2.97Å; L147-S150 PolarHBondContact O-OG 3.24Å; R148-S150 VanDerWaalsContact C-N 3.3Å; R148-S150 PolarHBondContact O-N 2.95Å; S150-K153 PolarHBondContact O-N 3.44Å; S150-L154 PolarHBondContact O-N 2.87Å; S150-S196 VanDerWaalsContact CB-O 3.27Å; S150-S196 WeakPolarHBondContact CB-O 3.44Å; S150-S196 PolarHBondContact OG-OG 3.13Å
151V96.7Very high93.3Very high0 Ų032.8 Ų32.80%016%0.164CC..Hα-helixtrans-64.2-43.6173.8178.90000111.8L147 R148 R149 K153 L154 T155 L166 L175 C177 V183 A185 A198L147-V151 WeakPolarHBondContact O-CG2 3.36Å; L147-V151 PolarHBondContact O-N 3.39Å; R148-V151 PolarHBondContact O-N 3.25Å; R148-V151 VanDerWaalsContact O-N 3.14Å; R149-V151 VanDerWaalsContact C-N 3.35Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 2.64Å; V151-L154 WeakPolarHBondContact O-CB 3.15Å; V151-L154 PolarHBondContact O-N 2.83Å; V151-L154 VanDerWaalsContact O-N 3.14Å; V151-T155 PolarHBondContact O-N 2.97Å; V151-T155 VanDerWaalsContact O-N 3.07Å; V151-L166 HydrophobicContact CB-CD1 4.4Å; V151-L166 HydrophobicContact CB-CD2 4.13Å; V151-L166 HydrophobicContact CG1-CD1 3.82Å; V151-L166 HydrophobicContact CG1-CD2 4.07Å; V151-L175 HydrophobicContact CG2-CD2 4.15Å; V151-C177 HydrophobicContact CG1-CB 4.22Å; V151-V183 HydrophobicContact CG2-CG1 4.39Å; V151-A185 HydrophobicContact CG2-CB 4.2Å; V151-A198 HydrophobicContact CG2-CB 3.89Å
152L95.3Very high93.1Very high13 Ų1331 Ų317%0.06816%0.16CC..Hα-helixtrans-65.2-34.1178.1-63.4178.5000113.1R148 R149 T155 G156 D157 N160 D161 L166R148-L152 HydrophobicContact CG-CD1 4.29Å; R148-L152 WeakPolarHBondContact O-CG 3.39Å; R148-L152 PolarHBondContact O-N 2.81Å; R149-L152 PolarHBondContact O-N 3.11Å; L152-T155 PolarHBondContact O-OG1 2.8Å; L152-G156 PolarHBondContact O-N 2.66Å; L152-G156 VanDerWaalsContact O-N 3.14Å; L152-D157 PolarHBondContact O-N 3.27Å; L152-D157 VanDerWaalsContact O-N 3.14Å; L152-N160 WeakPolarHBondContact CD2-O 3.44Å; L152-D161 HydrophobicContact CD1-CB 4.3Å; L152-L166 HydrophobicContact CD2-CD2 3.57Å; L152-L166 HydrophobicContact CG-CD2 3.78Å
153K96.4Very high92.8Very high44 Ų4434.9 Ų34.919%0.19119%0.185CC..Hα-helixtrans-69.3-36.3172-76.5174.5176.1179.30112.3I82 S83 L101 D102 R149 S150 V151 G156 V158I82-K153 PolarHBondContact O-NZ 2.8Å; S83-K153 PolarHBondContact OG-NZ 3.46Å; S83-K153 VanDerWaalsContact OG-NZ 3.12Å; L101-K153 WeakPolarHBondContact O-CD 3.45Å; L101-K153 PolarHBondContact O-NZ 2.81Å; D102-K153 WeakPolarHBondContact OD1-CE 3.41Å; D102-K153 IonicContact OD1-NZ 3.18Å; D102-K153 PolarHBondContact OD1-NZ 3.3Å; R149-K153 WeakPolarHBondContact O-CB 3.4Å; R149-K153 WeakPolarHBondContact O-CG 3.4Å; R149-K153 PolarHBondContact O-N 3.39Å; S150-K153 PolarHBondContact O-N 3.44Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 2.64Å; K153-G156 PolarHBondContact O-N 3.5Å; K153-V158 HydrophobicContact CB-CG1 4.45Å; K153-V158 HydrophobicContact CG-CG1 3.73Å
154L96.2Very high92.4Very high5 Ų544.2 Ų44.23%0.02622%0.22CC..Hα-helixtrans-58.9-47.9174.2175.6152.3000110.8K69 E98 S150 V151 G156 V183 A198 T200K69-L154 PolarHBondContact NZ-O 3.02Å; E98-L154 HydrophobicContact CB-CD2 4.47Å; E98-L154 HydrophobicContact CB-CG 4.1Å; E98-L154 WeakPolarHBondContact O-CD1 3.34Å; S150-L154 PolarHBondContact O-N 2.87Å; V151-L154 WeakPolarHBondContact O-CB 3.15Å; V151-L154 PolarHBondContact O-N 2.83Å; V151-L154 VanDerWaalsContact O-N 3.14Å; L154-G156 PolarHBondContact O-N 3.37Å; L154-V183 HydrophobicContact CD1-CG1 4.44Å; L154-V183 HydrophobicContact CD2-CG2 4.47Å; L154-A198 HydrophobicContact CB-CB 4.3Å; L154-A198 VanDerWaalsContact CD1-C 3.46Å; L154-A198 HydrophobicContact CD1-CB 3.9Å; L154-A198 WeakPolarHBondContact CD1-O 3.28Å; L154-T200 HydrophobicContact CD1-CG2 3.98Å; L154-T200 HydrophobicContact CD2-CG2 3.85Å; L154-T200 HydrophobicContact CG-CG2 4.42Å
155T93.9Very high92.2Very high52 Ų5246.3 Ų46.332%0.31923%0.231SC..Hα-helixtrans-72.1-16.1179.263.30000113.3V151 L152 D157 V180V151-T155 PolarHBondContact O-N 2.97Å; V151-T155 VanDerWaalsContact O-N 3.07Å; L152-T155 PolarHBondContact O-OG1 2.8Å; T155-D157 PolarHBondContact O-N 2.65Å; T155-D157 PolarHBondContact OG1-N 2.91Å; T155-V180 HydrophobicContact CG2-CG2 3.82Å
156G92.7Very high92.1Very high5 Ų546.4 Ų46.45%0.05223%0.232CC..THydrogen-bonded Turntrans73.49.1-17300000113.6K67 L152 K153 L154K67-G156 WeakPolarHBondContact CB-O 3.33Å; L152-G156 PolarHBondContact O-N 2.66Å; L152-G156 VanDerWaalsContact O-N 3.14Å; K153-G156 PolarHBondContact O-N 3.5Å; L154-G156 PolarHBondContact O-N 3.37Å
157D88Confident92.1Very high39 Ų3950 Ų5021%0.20925%0.249CC..  trans-109.260.8179.8-155.80000111.1K67 L152 T155 L159 N160K67-D157 HydrophobicContact CD-CB 4.22Å; K67-D157 IonicContact NZ-OD1 3.44Å; K67-D157 IonicContact NZ-OD2 3.58Å; K67-D157 PolarHBondContact NZ-OD2 3.38Å; L152-D157 PolarHBondContact O-N 3.27Å; L152-D157 VanDerWaalsContact O-N 3.14Å; T155-D157 PolarHBondContact O-N 2.65Å; T155-D157 PolarHBondContact OG1-N 2.91Å; D157-L159 PolarHBondContact O-N 2.77Å; D157-N160 HydrophobicContact CB-CB 4.06Å; D157-N160 PolarHBondContact O-N 2.88Å; D157-N160 WeakPolarHBondContact OD2-CB 3.49Å; D157-N160 PolarHBondContact OD2-ND2 3.02Å
158V87.6Confident92Very high74 Ų7450.1 Ų50.145%0.44825%0.249SC..THydrogen-bonded Turntrans-61.3-16.8-170.1-640000115.2K153K153-V158 HydrophobicContact CB-CG1 4.45Å; K153-V158 HydrophobicContact CG-CG1 3.73Å
159L85.5Confident92Very high160 Ų16051.6 Ų51.684%0.83826%0.257SS*.THydrogen-bonded Turntrans-98.2-11.2179.2-59.9-179.8000113D157 D161D157-L159 PolarHBondContact O-N 2.77Å; L159-D161 PolarHBondContact O-N 2.86Å
160N86Confident92Very high38 Ų3847.5 Ų47.520%0.20324%0.244CC..  trans-89.183.7-177-1766.2000111.1L152 D157 D162 D165L152-N160 WeakPolarHBondContact CD2-O 3.44Å; D157-N160 HydrophobicContact CB-CB 4.06Å; D157-N160 PolarHBondContact O-N 2.88Å; D157-N160 WeakPolarHBondContact OD2-CB 3.49Å; D157-N160 PolarHBondContact OD2-ND2 3.02Å; N160-D162 VanDerWaalsContact C-N 3.33Å; N160-D162 VanDerWaalsContact OD1-CB 3.32Å; N160-D162 WeakPolarHBondContact OD1-CB 3.46Å; N160-D162 PolarHBondContact OD1-N 3.29Å; N160-D165 PolarHBondContact ND2-OD2 2.78Å; N160-D165 PolarHBondContact OD1-OD2 2.85Å
161D80.5Confident91.8Very high58 Ų5853.9 Ų53.931%0.3128%0.277SS..  trans-99.831.5173-164.527.4000112.4H121 R148 L152 L159 P163H121-D161 IonicContact CE1-OD2 3.56Å; H121-D161 PolarHBondContact CE1-OD2 2.79Å; H121-D161 IonicContact ND1-OD2 2.65Å; R148-D161 WeakPolarHBondContact CD-OD1 3.36Å; R148-D161 IonicContact CZ-OD1 2.74Å; R148-D161 IonicContact NE-OD1 3.25Å; R148-D161 PolarHBondContact NE-OD1 3.27Å; R148-D161 IonicContact NE-OD2 3.89Å; L152-D161 HydrophobicContact CD1-CB 4.3Å; L159-D161 PolarHBondContact O-N 2.86Å; D161-P163 WeakPolarHBondContact O-CD 3.4Å
162D89.8Confident91.7Very high41 Ų4157 Ų5722%0.21930%0.302CS..  trans-66.1125.8176-169-37.1000109.6N160 R164 D165 L166N160-D162 VanDerWaalsContact C-N 3.33Å; N160-D162 VanDerWaalsContact OD1-CB 3.32Å; N160-D162 WeakPolarHBondContact OD1-CB 3.46Å; N160-D162 PolarHBondContact OD1-N 3.29Å; D162-R164 PolarHBondContact O-N 2.88Å; D162-R164 VanDerWaalsContact OD1-CB 3.28Å; D162-R164 WeakPolarHBondContact OD1-CB 3.33Å; D162-R164 WeakPolarHBondContact OD1-CG 3.27Å; D162-R164 PolarHBondContact OD1-N 2.81Å; D162-R164 IonicContact OD1-NE 3.22Å; D162-R164 PolarHBondContact OD1-NE 3.39Å; D162-R164 IonicContact OD2-CZ 2.7Å; D162-R164 IonicContact OD2-NE 2.65Å; D162-R164 PolarHBondContact OD2-NE 2.96Å; D162-R164 IonicContact OD2-NH2 3.53Å; D162-R164 PolarHBondContact OD2-NH2 2.84Å; D162-D165 HydrophobicContact CB-CB 4.43Å; D162-D165 PolarHBondContact O-N 3.42Å; D162-L166 PolarHBondContact O-N 2.71Å
163P87.5Confident91.7Very high84 Ų8457.4 Ų57.455%0.54531%0.31SS..THydrogen-bonded Turntrans-59-15.6175.4-24.434.2000114.3D161 D165 Q167D161-P163 WeakPolarHBondContact O-CD 3.4Å; P163-D165 VanDerWaalsContact C-N 3.34Å; P163-Q167 VanDerWaalsContact O-CD 3.3Å; P163-Q167 WeakPolarHBondContact O-CG 3.38Å; P163-Q167 PolarHBondContact O-NE2 2.84Å
164R88.4Confident91.7Very high204 Ų20460.3 Ų60.377%0.7732%0.32SS*.THydrogen-bonded Turntrans-73.7-30.2171.8-64.1177.1-67.4171.62.7111.9D162D162-R164 PolarHBondContact O-N 2.88Å; D162-R164 VanDerWaalsContact OD1-CB 3.28Å; D162-R164 WeakPolarHBondContact OD1-CB 3.33Å; D162-R164 WeakPolarHBondContact OD1-CG 3.27Å; D162-R164 PolarHBondContact OD1-N 2.81Å; D162-R164 IonicContact OD1-NE 3.22Å; D162-R164 PolarHBondContact OD1-NE 3.39Å; D162-R164 IonicContact OD2-CZ 2.7Å; D162-R164 IonicContact OD2-NE 2.65Å; D162-R164 PolarHBondContact OD2-NE 2.96Å; D162-R164 IonicContact OD2-NH2 3.53Å; D162-R164 PolarHBondContact OD2-NH2 2.84Å
165D91.9Very high91.7Very high45 Ų4560.1 Ų60.124%0.24132%0.319CS..THydrogen-bonded Turntrans-98.1-32.9-176.1-66.3-22.4000112.3N160 D162 P163 C177 A178N160-D165 PolarHBondContact ND2-OD2 2.78Å; N160-D165 PolarHBondContact OD1-OD2 2.85Å; D162-D165 HydrophobicContact CB-CB 4.43Å; D162-D165 PolarHBondContact O-N 3.42Å; P163-D165 VanDerWaalsContact C-N 3.34Å; D165-C177 CarbonylContact O-C 3.52Å; D165-C177 WeakPolarHBondContact O-CA 3.29Å; D165-A178 HydrophobicContact CB-CB 4.11Å; D165-A178 PolarHBondContact O-N 3.21Å
166L94Very high91.7Very high2 Ų262.4 Ų62.41%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-137.3120176.7-176.755000112.6R148 V151 L152 D162 L168 K176 C177R148-L166 HydrophobicContact CG-CD2 3.65Å; R148-L166 HydrophobicContact CG-CG 4.48Å; V151-L166 HydrophobicContact CB-CD1 4.4Å; V151-L166 HydrophobicContact CB-CD2 4.13Å; V151-L166 HydrophobicContact CG1-CD1 3.82Å; V151-L166 HydrophobicContact CG1-CD2 4.07Å; L152-L166 HydrophobicContact CD2-CD2 3.57Å; L152-L166 HydrophobicContact CG-CD2 3.78Å; D162-L166 PolarHBondContact O-N 2.71Å; L166-L168 HydrophobicContact CD1-CD2 4.31Å; L166-K176 CarbonylContact C-O 3.54Å; L166-K176 VanDerWaalsContact CA-O 3.29Å; L166-K176 WeakPolarHBondContact CA-O 3.47Å; L166-K176 WeakPolarHBondContact CD1-O 3.35Å; L166-C177 HydrophobicContact CD1-CB 4.28Å
167Q94.8Very high91.8Very high75 Ų7562.7 Ų62.735%0.3533%0.325SS..EExtended strand (participates in β ladder)trans-126.2133.4171.5-58.9-177.34.800111P163 L175 K176P163-Q167 VanDerWaalsContact O-CD 3.3Å; P163-Q167 WeakPolarHBondContact O-CG 3.38Å; P163-Q167 PolarHBondContact O-NE2 2.84Å; Q167-L175 CarbonylContact O-C 3.48Å; Q167-L175 VanDerWaalsContact O-CA 3.25Å; Q167-L175 WeakPolarHBondContact O-CA 3.28Å; Q167-K176 HydrophobicContact CB-CB 4.29Å; Q167-K176 PolarHBondContact N-O 2.78Å; Q167-K176 PolarHBondContact O-N 2.83Å
168L96Very high91.9Very high2 Ų262.3 Ų62.31%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-101134.7168.8-55.6-174.1000109.6L144 L147 R148 L166 P170 L175 F237L144-L168 HydrophobicContact CB-CD1 4.41Å; L144-L168 HydrophobicContact CD2-CD1 4.14Å; L144-L168 WeakPolarHBondContact O-CD1 3.5Å; L147-L168 HydrophobicContact CD2-CD1 3.73Å; L147-L168 HydrophobicContact CD2-CD2 3.42Å; L147-L168 VanDerWaalsContact CD2-CD2 3.42Å; L147-L168 HydrophobicContact CD2-CG 4.22Å; R148-L168 HydrophobicContact CB-CD1 3.99Å; L166-L168 HydrophobicContact CD1-CD2 4.31Å; L168-P170 WeakPolarHBondContact O-CD 3.28Å; L168-L175 HydrophobicContact CD2-CB 3.82Å; L168-F237 HydrophobicContact CB-CE1 4Å; L168-F237 HydrophobicContact CD2-CD1 4.36Å; L168-F237 HydrophobicContact CD2-CE1 4.47Å
169L96Very high91.8Very high41 Ų4167.2 Ų67.222%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-122.676.1178.5-63.4164.2000108.1I171 A172 G173 R174 L240L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3.2Å; L169-A172 HydrophobicContact CB-CB 4.49Å; L169-A172 PolarHBondContact O-N 2.77Å; L169-G173 PolarHBondContact O-N 3.37Å; L169-R174 CarbonylContact C-O 3.57Å; L169-R174 WeakPolarHBondContact CA-O 3.47Å; L169-R174 HydrophobicContact CB-CB 4.27Å; L169-R174 WeakPolarHBondContact CB-O 3.25Å; L169-R174 PolarHBondContact N-O 3.06Å; L169-R174 PolarHBondContact O-N 2.65Å; L169-L240 HydrophobicContact CD1-CD1 3.24Å
170P96.1Very high91.9Very high15 Ų1561 Ų6110%0.09731%0.314CS..G310 helixtrans-61-37.2-168.321.6-33.6000114W130 L144 L168 A172 G173 F237W130-P170 HydrophobicContact CB-CB 4.48Å; W130-P170 HydrophobicContact CB-CG 3.71Å; W130-P170 HydrophobicContact CD2-CB 3.47Å; W130-P170 VanDerWaalsContact CD2-CB 3.47Å; W130-P170 HydrophobicContact CD2-CG 3.62Å; W130-P170 HydrophobicContact CE3-CB 3.83Å; W130-P170 HydrophobicContact CE3-CG 3.9Å; W130-P170 HydrophobicContact CG-CB 3.75Å; W130-P170 HydrophobicContact CG-CG 3.51Å; W130-P170 HydrophobicContact CH2-CB 4.49Å; W130-P170 HydrophobicContact CZ2-CB 4.18Å; W130-P170 HydrophobicContact CZ3-CB 4.31Å; L144-P170 HydrophobicContact CD1-CG 4.45Å; L144-P170 HydrophobicContact CD2-CB 4.13Å; L168-P170 WeakPolarHBondContact O-CD 3.28Å; P170-A172 PolarHBondContact O-N 3.09Å; P170-G173 PolarHBondContact O-N 3.4Å; P170-G173 VanDerWaalsContact O-N 3.09Å; P170-F237 VanDerWaalsContact CA-CZ 3.47Å; P170-F237 HydrophobicContact CB-CE1 4.32Å; P170-F237 HydrophobicContact CB-CZ 3.81Å
171I94.2Very high91.8Very high135 Ų13565.7 Ų65.769%0.69234%0.339SS*.G310 helixtrans-56.6-36.7176.9-65.4168.8000111.5W130 L169W130-I171 HydrophobicContact CB-CG1 4.29Å; W130-I171 VanDerWaalsContact CD1-CG1 3.49Å; W130-I171 HydrophobicContact CG-CG1 4.2Å; L169-I171 VanDerWaalsContact C-N 3.32Å; L169-I171 PolarHBondContact O-N 3.2Å
172A94.8Very high92.5Very high65 Ų6568.7 Ų68.754%0.53735%0.351SS..G310 helixtrans-92.4-7.2-17700000113.1L169 P170 R174L169-A172 HydrophobicContact CB-CB 4.49Å; L169-A172 PolarHBondContact O-N 2.77Å; P170-A172 PolarHBondContact O-N 3.09Å; A172-R174 HydrophobicContact CB-CB 4.11Å; A172-R174 HydrophobicContact CB-CG 3.78Å; A172-R174 PolarHBondContact O-N 3.49Å
173G95.6Very high92.7Very high22 Ų2266.8 Ų66.823%0.22734%0.341CS..THydrogen-bonded Turntrans56.240.5-166.100000111.4L169 P170 R236 F237 A238L169-G173 PolarHBondContact O-N 3.37Å; P170-G173 PolarHBondContact O-N 3.4Å; P170-G173 VanDerWaalsContact O-N 3.09Å; G173-R236 WeakPolarHBondContact CA-O 3.47Å; G173-F237 VanDerWaalsContact O-CA 3.29Å; G173-F237 WeakPolarHBondContact O-CA 3.29Å; G173-A238 PolarHBondContact O-N 2.77Å; G173-A238 VanDerWaalsContact O-N 3.09Å
174R96.2Very high93.2Very high105 Ų10564.7 Ų64.740%0.39632%0.323SS..EExtended strand (participates in β ladder)trans-125.1150.1-177.3-63.5-62.2-179.8-178.1-4.1111.8L169 A172 F237 A238 L240L169-R174 CarbonylContact C-O 3.57Å; L169-R174 WeakPolarHBondContact CA-O 3.47Å; L169-R174 HydrophobicContact CB-CB 4.27Å; L169-R174 WeakPolarHBondContact CB-O 3.25Å; L169-R174 PolarHBondContact N-O 3.06Å; L169-R174 PolarHBondContact O-N 2.65Å; A172-R174 HydrophobicContact CB-CB 4.11Å; A172-R174 HydrophobicContact CB-CG 3.78Å; A172-R174 PolarHBondContact O-N 3.49Å; R174-F237 WeakPolarHBondContact O-CD1 3.25Å; R174-A238 VanDerWaalsContact CA-O 3.28Å; R174-A238 WeakPolarHBondContact CA-O 3.14Å; R174-A238 VanDerWaalsContact CD-O 3.26Å; R174-A238 WeakPolarHBondContact CD-O 3.45Å; R174-L240 HydrophobicContact CB-CD1 3.66Å; R174-L240 HydrophobicContact CB-CG 3.9Å; R174-L240 HydrophobicContact CG-CD1 4.32Å; R174-L240 HydrophobicContact CG-CG 4.1Å
175L96Very high93.6Very high0 Ų055 Ų550%029%0.287CS..EExtended strand (participates in β ladder)trans-126.7157.7168.269.691.8000110.2V151 Q167 L168 C177 V183 A185 F237 A238 Q239 L240V151-L175 HydrophobicContact CG2-CD2 4.15Å; Q167-L175 CarbonylContact O-C 3.48Å; Q167-L175 VanDerWaalsContact O-CA 3.25Å; Q167-L175 WeakPolarHBondContact O-CA 3.28Å; L168-L175 HydrophobicContact CD2-CB 3.82Å; L175-C177 HydrophobicContact CD1-CB 3.79Å; L175-V183 HydrophobicContact CD1-CB 4.18Å; L175-V183 HydrophobicContact CD1-CG1 4.33Å; L175-V183 HydrophobicContact CD2-CG1 4.15Å; L175-A185 HydrophobicContact CD2-CB 4.07Å; L175-F237 HydrophobicContact CB-CB 4.43Å; L175-F237 HydrophobicContact CB-CD1 4.22Å; L175-F237 HydrophobicContact CD2-CB 3.82Å; L175-F237 HydrophobicContact CG-CB 4.45Å; L175-A238 PolarHBondContact N-O 3.18Å; L175-Q239 CarbonylContact O-C 3.54Å; L175-Q239 WeakPolarHBondContact O-CA 3.43Å; L175-Q239 PolarHBondContact O-OE1 3.31Å; L175-L240 PolarHBondContact O-N 2.94Å
176K94.5Very high93.9Very high101 Ų10153 Ų5344%0.43928%0.276SS..EExtended strand (participates in β ladder)trans-119.1118.6163.8-65.1-179.3-179.5177.50107.2L166 Q167 L240L166-K176 CarbonylContact C-O 3.54Å; L166-K176 VanDerWaalsContact CA-O 3.29Å; L166-K176 WeakPolarHBondContact CA-O 3.47Å; L166-K176 WeakPolarHBondContact CD1-O 3.35Å; Q167-K176 HydrophobicContact CB-CB 4.29Å; Q167-K176 PolarHBondContact N-O 2.78Å; Q167-K176 PolarHBondContact O-N 2.83Å; K176-L240 HydrophobicContact CD-CD1 4.33Å; K176-L240 HydrophobicContact CG-CB 4.09Å; K176-L240 HydrophobicContact CG-CD1 3.66Å
177C93.7Very high94Very high11 Ų1152.9 Ų52.97%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-118.4118.8171.7-172.90000108.6V151 D165 L166 L175 V183 Q239V151-C177 HydrophobicContact CG1-CB 4.22Å; D165-C177 CarbonylContact O-C 3.52Å; D165-C177 WeakPolarHBondContact O-CA 3.29Å; L166-C177 HydrophobicContact CD1-CB 4.28Å; L175-C177 HydrophobicContact CD1-CB 3.79Å; C177-V183 HydrophobicContact CB-CG2 4.36Å; C177-Q239 PolarHBondContact O-NE2 3.08Å
178A90.2Very high94.1Very high30 Ų3049.6 Ų49.625%0.24826%0.26CS..THydrogen-bonded Turntrans-63.5156171.700000110.2D165 V180D165-A178 HydrophobicContact CB-CB 4.11Å; D165-A178 PolarHBondContact O-N 3.21Å; A178-V180 PolarHBondContact O-N 2.86Å
179H85.4Confident94Very high178 Ų17849.6 Ų49.682%0.82426%0.261SS*.THydrogen-bonded Turntrans62.93.7176.5-46.6-65.3000116.5
180V88.5Confident93.9Very high29 Ų2949.4 Ų49.418%0.17626%0.259CS..  trans-131.8125.9175.1-166.70000109.9T155 A178 V183 T200 Q239T155-V180 HydrophobicContact CG2-CG2 3.82Å; A178-V180 PolarHBondContact O-N 2.86Å; V180-V183 HydrophobicContact CB-CG2 3.73Å; V180-V183 HydrophobicContact CG1-CG2 3.32Å; V180-V183 HydrophobicContact CG2-CG2 4.5Å; V180-T200 HydrophobicContact CG1-CG2 3.47Å; V180-T200 VanDerWaalsContact CG1-CG2 3.47Å; V180-Q239 PolarHBondContact O-NE2 3.36Å
181N84.5Confident93.6Very high137 Ų13755.1 Ų55.173%0.73329%0.289SS*.SBendtrans-76.4-37.7-173-69.5-23.6000113.3Q239N181-Q239 WeakPolarHBondContact O-CG 3.4Å
182H93.3Very high93.3Very high121 Ų12152.4 Ų52.456%0.5628%0.278SS*.  trans-140.2110-174.2-59.8-68000109.2T200 P201H182-T200 WeakPolarHBondContact O-CB 3.46Å; H182-T200 WeakPolarHBondContact O-CG2 3.43Å; H182-P201 CarbonylContact C-O 3.58Å; H182-P201 HydrophobicContact CB-CB 3.88Å; H182-P201 WeakPolarHBondContact CB-O 3.13Å
183V95.6Very high93.3Very high1 Ų149.4 Ų49.41%0.00625%0.253CS..  trans-127134.1174.7-179.60000107.4V151 L154 L175 C177 V180 A198 T200 Q239V151-V183 HydrophobicContact CG2-CG1 4.39Å; L154-V183 HydrophobicContact CD1-CG1 4.44Å; L154-V183 HydrophobicContact CD2-CG2 4.47Å; L175-V183 HydrophobicContact CD1-CB 4.18Å; L175-V183 HydrophobicContact CD1-CG1 4.33Å; L175-V183 HydrophobicContact CD2-CG1 4.15Å; C177-V183 HydrophobicContact CB-CG2 4.36Å; V180-V183 HydrophobicContact CB-CG2 3.73Å; V180-V183 HydrophobicContact CG1-CG2 3.32Å; V180-V183 HydrophobicContact CG2-CG2 4.5Å; V183-A198 HydrophobicContact CG1-CB 4.44Å; V183-T200 HydrophobicContact CG2-CG2 3.98Å; V183-Q239 WeakPolarHBondContact O-CB 3.26Å; V183-Q239 PolarHBondContact O-N 3.34Å
184E96.9Very high93.3Very high40 Ų4048.4 Ų48.419%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-118.7141.1161.5-68.6-166.914900109.1A198 V199 A202 I203 R236 F237 A238E184-A198 CarbonylContact O-C 3.5Å; E184-A198 VanDerWaalsContact O-CA 3.29Å; E184-A198 WeakPolarHBondContact O-CA 3.45Å; E184-V199 PolarHBondContact N-O 2.97Å; E184-V199 PolarHBondContact O-N 3.42Å; E184-A202 HydrophobicContact CG-CB 4.46Å; E184-I203 HydrophobicContact CB-CD1 4.21Å; E184-I203 HydrophobicContact CB-CG1 4.05Å; E184-I203 PolarHBondContact OE2-N 2.95Å; E184-R236 IonicContact OE1-NH2 3.43Å; E184-R236 IonicContact OE2-CZ 3.04Å; E184-R236 IonicContact OE2-NE 2.79Å; E184-R236 IonicContact OE2-NH2 3.91Å; E184-R236 PolarHBondContact OE2-NH2 3.34Å; E184-F237 CarbonylContact C-O 3.49Å; E184-F237 WeakPolarHBondContact CA-O 3.39Å; E184-A238 HydrophobicContact CG-CB 4.12Å
185A97.8Very high93.4Very high0 Ų043.4 Ų43.40%022%0.223CC..EExtended strand (participates in β ladder)trans-127.5135.6174.700000109.6L147 V151 L175 V197 A198 R236 F237L147-A185 HydrophobicContact CD1-CB 4.12Å; L147-A185 HydrophobicContact CD2-CB 4.13Å; L147-A185 HydrophobicContact CG-CB 3.91Å; V151-A185 HydrophobicContact CG2-CB 4.2Å; L175-A185 HydrophobicContact CD2-CB 4.07Å; A185-V197 CarbonylContact C-O 3.56Å; A185-V197 WeakPolarHBondContact CA-O 3.49Å; A185-A198 HydrophobicContact CB-CB 4.03Å; A185-R236 CarbonylContact O-C 3.56Å; A185-R236 WeakPolarHBondContact O-CA 3.38Å; A185-F237 HydrophobicContact CB-CB 4.46Å; A185-F237 PolarHBondContact N-O 3.08Å; A185-F237 PolarHBondContact O-N 3.3Å
186L97.4Very high93.5Very high3 Ų343.4 Ų43.42%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-116.1137.7172.5-170.4140.4000108W195 S196 V197 I203 L206 I223 M234 M235L186-W195 HydrophobicContact CD2-CH2 3.44Å; L186-W195 VanDerWaalsContact CD2-CH2 3.44Å; L186-W195 HydrophobicContact CD2-CZ3 3.54Å; L186-S196 CarbonylContact O-C 3.54Å; L186-S196 WeakPolarHBondContact O-CA 3.29Å; L186-S196 WeakPolarHBondContact O-CB 3.43Å; L186-S196 PolarHBondContact O-OG 2.85Å; L186-V197 PolarHBondContact N-O 2.99Å; L186-V197 PolarHBondContact O-N 2.81Å; L186-I203 HydrophobicContact CB-CD1 3.84Å; L186-L206 HydrophobicContact CD2-CD2 4.16Å; L186-I223 HydrophobicContact CD1-CD1 3.95Å; L186-I223 HydrophobicContact CD1-CG1 4.23Å; L186-I223 HydrophobicContact CD1-CG2 3.82Å; L186-I223 HydrophobicContact CD2-CD1 3.84Å; L186-M234 HydrophobicContact CD1-CE 3.84Å; L186-M234 HydrophobicContact CD2-CE 3.74Å; L186-M234 HydrophobicContact CG-CE 4.11Å; L186-M235 WeakPolarHBondContact CA-O 3.13Å
187C97.5Very high93.7Very high0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-131.8141.8176-176.30000108.6L147 W195 M234 M235L147-C187 HydrophobicContact CB-CB 4.32Å; L147-C187 HydrophobicContact CD1-CB 3.9Å; C187-W195 CarbonylContact C-O 3.52Å; C187-W195 VanDerWaalsContact CA-O 3.26Å; C187-W195 WeakPolarHBondContact CA-O 3.26Å; C187-W195 PolarHBondContact SG-O 3.05Å; C187-W195 VanDerWaalsContact SG-O 3.39Å; C187-M234 CarbonylContact O-C 3.56Å; C187-M234 VanDerWaalsContact O-CA 3.31Å; C187-M234 WeakPolarHBondContact O-CA 3.5Å; C187-M235 PolarHBondContact N-O 2.67Å; C187-M235 PolarHBondContact O-N 2.97Å
188D95.8Very high93.9Very high5 Ų538 Ų383%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-134.6141.7173.6-165.88.6000108.9V194 W195 R226 M234D188-V194 WeakPolarHBondContact O-CA 3.28Å; D188-W195 HydrophobicContact CB-CD2 4.23Å; D188-W195 HydrophobicContact CB-CH2 4.08Å; D188-W195 HydrophobicContact CB-CZ2 3.46Å; D188-W195 VanDerWaalsContact CB-CZ2 3.46Å; D188-W195 PolarHBondContact N-O 2.86Å; D188-W195 PolarHBondContact O-N 3.12Å; D188-R226 IonicContact OD2-CZ 2.64Å; D188-R226 IonicContact OD2-NH1 3.39Å; D188-R226 PolarHBondContact OD2-NH1 3.19Å; D188-M234 HydrophobicContact CB-CG 3.89Å; D188-M234 VanDerWaalsContact CG-CG 3.42Å; D188-M234 VanDerWaalsContact OD1-CG 3.31Å; D188-M234 WeakPolarHBondContact OD1-CG 2.9Å
189A94.9Very high94.3Very high3 Ų336.6 Ų36.63%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-109.3106.1172.300000109.3E139 Q143 V194 R233E139-A189 HydrophobicContact CG-CB 3.71Å; Q143-A189 HydrophobicContact CG-CB 4.01Å; A189-V194 HydrophobicContact CB-CG2 3.94Å; A189-R233 HydrophobicContact CB-CB 3.87Å; A189-R233 PolarHBondContact N-O 3.48Å; A189-R233 VanDerWaalsContact O-CZ 3.27Å; A189-R233 PolarHBondContact O-NE 3.1Å; A189-R233 PolarHBondContact O-NH2 3.47Å
190E92.9Very high94.8Very high37 Ų3729 Ų2917%0.17315%0.153CC..  trans-86.7172.1167.4-57.4178.9-169.200109.3R7 Q106 V192 L193 W195 R226 R233R7-E190 IonicContact CZ-OE1 2.78Å; R7-E190 IonicContact CZ-OE2 3.75Å; R7-E190 VanDerWaalsContact CZ-OE2 3.25Å; R7-E190 IonicContact NH1-OE1 3.81Å; R7-E190 PolarHBondContact NH1-OE1 2.82Å; R7-E190 IonicContact NH1-OE2 3.78Å; R7-E190 PolarHBondContact NH1-OE2 2.74Å; R7-E190 IonicContact NH2-OE1 3.25Å; R7-E190 IonicContact NH2-OE2 2.85Å; R7-E190 PolarHBondContact NH2-OE2 2.87Å; Q106-E190 WeakPolarHBondContact CG-O 3.33Å; Q106-E190 PolarHBondContact NE2-O 2.78Å; E190-V192 PolarHBondContact O-N 3.06Å; E190-V192 VanDerWaalsContact O-N 3.17Å; E190-L193 WeakPolarHBondContact CA-O 3.44Å; E190-L193 WeakPolarHBondContact CB-O 3.37Å; E190-L193 PolarHBondContact N-O 3.23Å; E190-W195 PolarHBondContact OE1-NE1 3.41Å; E190-R226 IonicContact OE1-CZ 3.42Å; E190-R226 IonicContact OE1-NH1 2.8Å; E190-R226 PolarHBondContact OE1-NH1 3.07Å; E190-R226 IonicContact OE1-NH2 2.97Å; E190-R226 PolarHBondContact OE1-NH2 2.93Å; E190-R233 PolarHBondContact O-NH2 3.35Å
191D89.2Confident95.1Very high135 Ų13530.7 Ų30.772%0.72217%0.165SC*.SBendtrans-60.9-31.9-172.6-62.8-25.4000113.5R233D191-R233 IonicContact OD1-CZ 3.95Å; D191-R233 IonicContact OD1-NH2 2.91Å; D191-R233 PolarHBondContact OD1-NH2 3.03Å
192V89.7Confident95.5Very high77 Ų7725.4 Ų25.447%0.46714%0.14SC..SBendtrans-111.7-28-178.7179.50000112L105 Q106 T109 E190L105-V192 WeakPolarHBondContact CA-O 3.34Å; L105-V192 HydrophobicContact CD2-CG1 3.97Å; Q106-V192 PolarHBondContact N-O 3.3Å; T109-V192 HydrophobicContact CG2-CG1 4.27Å; E190-V192 PolarHBondContact O-N 3.06Å; E190-V192 VanDerWaalsContact O-N 3.17Å
193L94Very high95.5Very high3 Ų319.9 Ų19.92%0.01611%0.114CC..EExtended strand (participates in β ladder)trans-129.2126.9-167-177.674.3000111.3A85 M88 M103 L105 E190 W195A85-L193 HydrophobicContact CB-CD1 3.71Å; M88-L193 HydrophobicContact CE-CD2 3.84Å; M88-L193 HydrophobicContact SD-CB 4.49Å; M88-L193 HydrophobicContact SD-CD1 4.14Å; M88-L193 HydrophobicContact SD-CD2 4.16Å; M88-L193 HydrophobicContact SD-CG 4.5Å; M103-L193 HydrophobicContact CB-CD1 4.15Å; M103-L193 HydrophobicContact CE-CD1 3.73Å; M103-L193 HydrophobicContact CE-CD2 3.82Å; M103-L193 HydrophobicContact CE-CG 4.42Å; M103-L193 HydrophobicContact CG-CD1 4.49Å; L105-L193 HydrophobicContact CD2-CD1 4.41Å; E190-L193 WeakPolarHBondContact CA-O 3.44Å; E190-L193 WeakPolarHBondContact CB-O 3.37Å; E190-L193 PolarHBondContact N-O 3.23Å; L193-W195 HydrophobicContact CD2-CB 4.31Å; L193-W195 HydrophobicContact CG-CB 4.5Å
194V96.2Very high95.3Very high0 Ų026.3 Ų26.30%015%0.145CC..EExtended strand (participates in β ladder)trans-94.9131.8159.9179.80000108.2M103 E104 Q106 A142 Q143 T146 D188 A189M103-V194 CarbonylContact C-O 3.59Å; M103-V194 WeakPolarHBondContact CA-O 3.26Å; E104-V194 PolarHBondContact N-O 2.75Å; E104-V194 PolarHBondContact O-N 2.92Å; Q106-V194 HydrophobicContact CG-CG2 4.22Å; A142-V194 HydrophobicContact CB-CG2 4.02Å; Q143-V194 HydrophobicContact CB-CG1 4.26Å; Q143-V194 HydrophobicContact CG-CG1 3.83Å; Q143-V194 HydrophobicContact CG-CG2 4.41Å; T146-V194 HydrophobicContact CG2-CG1 4.21Å; D188-V194 WeakPolarHBondContact O-CA 3.28Å; A189-V194 HydrophobicContact CB-CG2 3.94Å
195W97.6Very high95.1Very high0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-135.8148.9175.859.4-95000110.6F5 D102 M103 L186 C187 D188 E190 L193 V197 L206 V208 I223F5-W195 AromaticContact CD1-CD2 3.88Å; F5-W195 HydrophobicContact CD1-CD2 3.88Å; F5-W195 AromaticContact CD1-CE3 3.76Å; F5-W195 HydrophobicContact CD1-CE3 3.76Å; F5-W195 HydrophobicContact CD1-CG 4.38Å; F5-W195 HydrophobicContact CD1-CZ3 4.12Å; F5-W195 HydrophobicContact CE1-CB 3.9Å; F5-W195 AromaticContact CE1-CD2 3.47Å; F5-W195 HydrophobicContact CE1-CD2 3.47Å; F5-W195 VanDerWaalsContact CE1-CD2 3.47Å; F5-W195 AromaticContact CE1-CE2 3.97Å; F5-W195 AromaticContact CE1-CE3 3.81Å; F5-W195 HydrophobicContact CE1-CE3 3.81Å; F5-W195 AromaticContact CE1-CG 3.52Å; F5-W195 HydrophobicContact CE1-CG 3.52Å; F5-W195 HydrophobicContact CZ-CB 4.07Å; F5-W195 HydrophobicContact CZ-CD2 4.49Å; F5-W195 HydrophobicContact CZ-CG 4.17Å; D102-W195 WeakPolarHBondContact O-CA 3.47Å; M103-W195 HydrophobicContact CG-CB 3.96Å; L186-W195 HydrophobicContact CD2-CH2 3.44Å; L186-W195 VanDerWaalsContact CD2-CH2 3.44Å; L186-W195 HydrophobicContact CD2-CZ3 3.54Å; C187-W195 CarbonylContact C-O 3.52Å; C187-W195 VanDerWaalsContact CA-O 3.26Å; C187-W195 WeakPolarHBondContact CA-O 3.26Å; C187-W195 PolarHBondContact SG-O 3.05Å; C187-W195 VanDerWaalsContact SG-O 3.39Å; D188-W195 HydrophobicContact CB-CD2 4.23Å; D188-W195 HydrophobicContact CB-CH2 4.08Å; D188-W195 HydrophobicContact CB-CZ2 3.46Å; D188-W195 VanDerWaalsContact CB-CZ2 3.46Å; D188-W195 PolarHBondContact N-O 2.86Å; D188-W195 PolarHBondContact O-N 3.12Å; E190-W195 PolarHBondContact OE1-NE1 3.41Å; L193-W195 HydrophobicContact CD2-CB 4.31Å; L193-W195 HydrophobicContact CG-CB 4.5Å; W195-V197 HydrophobicContact CE3-CG2 4.12Å; W195-V197 HydrophobicContact CZ3-CG2 4.09Å; W195-L206 HydrophobicContact CH2-CD2 4.25Å; W195-L206 HydrophobicContact CZ3-CD2 4.08Å; W195-V208 HydrophobicContact CH2-CG2 4.24Å; W195-V208 HydrophobicContact CZ2-CG2 4.39Å; W195-I223 HydrophobicContact CH2-CD1 4.29Å
196S98.4Very high95.1Very high0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-139.7136.4173.2-179.20000112.4L101 D102 L147 S150 L186L101-S196 WeakPolarHBondContact CA-O 3.48Å; D102-S196 PolarHBondContact N-O 2.8Å; D102-S196 PolarHBondContact O-N 3.01Å; L147-S196 WeakPolarHBondContact CA-OG 3.29Å; S150-S196 VanDerWaalsContact CB-O 3.27Å; S150-S196 WeakPolarHBondContact CB-O 3.44Å; S150-S196 PolarHBondContact OG-OG 3.13Å; L186-S196 CarbonylContact O-C 3.54Å; L186-S196 WeakPolarHBondContact O-CA 3.29Å; L186-S196 WeakPolarHBondContact O-CB 3.43Å; L186-S196 PolarHBondContact O-OG 2.85Å
197V98.5Very high95.1Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-115.5121.6172.7-178.10000108.4T3 F5 A92 G100 L101 A185 L186 W195 V199 L206T3-V197 HydrophobicContact CG2-CG1 3.97Å; F5-V197 HydrophobicContact CB-CG2 3.97Å; F5-V197 HydrophobicContact CD1-CG2 4.41Å; F5-V197 HydrophobicContact CG-CG2 4.15Å; A92-V197 HydrophobicContact CB-CG1 4.32Å; G100-V197 CarbonylContact O-C 3.55Å; G100-V197 WeakPolarHBondContact O-CA 3.35Å; L101-V197 HydrophobicContact CD1-CG2 3.87Å; A185-V197 CarbonylContact C-O 3.56Å; A185-V197 WeakPolarHBondContact CA-O 3.49Å; L186-V197 PolarHBondContact N-O 2.99Å; L186-V197 PolarHBondContact O-N 2.81Å; W195-V197 HydrophobicContact CE3-CG2 4.12Å; W195-V197 HydrophobicContact CZ3-CG2 4.09Å; V197-V199 HydrophobicContact CG1-CG2 3.76Å; V197-L206 HydrophobicContact CB-CD2 4.38Å; V197-L206 HydrophobicContact CG2-CD2 4.4Å
198A98.1Very high95Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-103.314216800000109.6C99 G100 V151 L154 V183 E184 A185C99-A198 CarbonylContact C-O 3.49Å; C99-A198 WeakPolarHBondContact CA-O 3.46Å; G100-A198 PolarHBondContact N-O 3.49Å; G100-A198 PolarHBondContact O-N 2.88Å; V151-A198 HydrophobicContact CG2-CB 3.89Å; L154-A198 HydrophobicContact CB-CB 4.3Å; L154-A198 VanDerWaalsContact CD1-C 3.46Å; L154-A198 HydrophobicContact CD1-CB 3.9Å; L154-A198 WeakPolarHBondContact CD1-O 3.28Å; V183-A198 HydrophobicContact CG1-CB 4.44Å; E184-A198 CarbonylContact O-C 3.5Å; E184-A198 VanDerWaalsContact O-CA 3.29Å; E184-A198 WeakPolarHBondContact O-CA 3.45Å; A185-A198 HydrophobicContact CB-CB 4.03Å
199V97.7Very high95.1Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-144.1148.1-177.6-169.70000111.1M1 T3 T94 E98 C99 E184 V197 A202 I203M1-V199 HydrophobicContact SD-CG1 4.13Å; T3-V199 HydrophobicContact CG2-CG2 3.76Å; T94-V199 HydrophobicContact CG2-CG1 4.44Å; E98-V199 CarbonylContact O-C 3.46Å; E98-V199 VanDerWaalsContact O-CA 3.32Å; E98-V199 WeakPolarHBondContact O-CA 3.45Å; C99-V199 HydrophobicContact CB-CG2 4.34Å; E184-V199 PolarHBondContact N-O 2.97Å; E184-V199 PolarHBondContact O-N 3.42Å; V197-V199 HydrophobicContact CG1-CG2 3.76Å; V199-A202 WeakPolarHBondContact CG1-O 3.42Å; V199-I203 HydrophobicContact CB-CG1 3.77Å; V199-I203 HydrophobicContact CG2-CD1 4.16Å; V199-I203 HydrophobicContact CG2-CG1 3.66Å
200T96.9Very high95.1Very high19 Ų1936.4 Ų36.412%0.11719%0.189CC..SBendtrans-112.5146164.862.70000110.7G97 E98 L154 V180 H182 V183G97-T200 WeakPolarHBondContact CA-O 3.28Å; E98-T200 PolarHBondContact N-OG1 2.86Å; E98-T200 PolarHBondContact O-N 2.89Å; L154-T200 HydrophobicContact CD1-CG2 3.98Å; L154-T200 HydrophobicContact CD2-CG2 3.85Å; L154-T200 HydrophobicContact CG-CG2 4.42Å; V180-T200 HydrophobicContact CG1-CG2 3.47Å; V180-T200 VanDerWaalsContact CG1-CG2 3.47Å; H182-T200 WeakPolarHBondContact O-CB 3.46Å; H182-T200 WeakPolarHBondContact O-CG2 3.43Å; V183-T200 HydrophobicContact CG2-CG2 3.98Å
201P94.3Very high95Very high64 Ų6434.9 Ų34.942%0.41618%0.182SC..SBendcis-76.1-19.7-1130.8-35.5000113.9M1 H182M1-P201 HydrophobicContact CE-CG 4.19Å; H182-P201 CarbonylContact C-O 3.58Å; H182-P201 HydrophobicContact CB-CB 3.88Å; H182-P201 WeakPolarHBondContact CB-O 3.13Å
202A93.6Very high94.7Very high25 Ų2531.6 Ų31.621%0.20717%0.165CC..  trans-155172.6-173.400000111.8M1 E184 V199M1-A202 VanDerWaalsContact CE-C 3.47Å; M1-A202 HydrophobicContact CE-CB 3.95Å; M1-A202 WeakPolarHBondContact CE-O 3.35Å; E184-A202 HydrophobicContact CG-CB 4.46Å; V199-A202 WeakPolarHBondContact CG1-O 3.42Å
203I92.5Very high93.7Very high5 Ų529.4 Ų29.43%0.02616%0.157CC..  trans-110.188169-59.8170.8000108E184 L186 V199 L206 R236E184-I203 HydrophobicContact CB-CD1 4.21Å; E184-I203 HydrophobicContact CB-CG1 4.05Å; E184-I203 PolarHBondContact OE2-N 2.95Å; L186-I203 HydrophobicContact CB-CD1 3.84Å; V199-I203 HydrophobicContact CB-CG1 3.77Å; V199-I203 HydrophobicContact CG2-CD1 4.16Å; V199-I203 HydrophobicContact CG2-CG1 3.66Å; I203-L206 HydrophobicContact CG2-CB 3.83Å; I203-R236 PolarHBondContact O-NH2 2.85Å
204E91.6Very high92.7Very high137 Ų13737.5 Ų37.564%0.6419%0.193SC*.SBendtrans-73.5-54177-69.4-179.6175.200111.3M1M1-E204 HydrophobicContact CE-CG 4.03Å; M1-E204 PolarHBondContact N-OE2 3.43Å
205K93.7Very high91.5Very high133 Ų13340.9 Ų40.958%0.57821%0.208SC*.EExtended strand (participates in β ladder)trans-133.9125.3177.1-176.5178.1179.1-179.80109.5T3T3-K205 PolarHBondContact N-O 3.02Å
206L96.2Very high90.9Very high7 Ų743.9 Ų43.94%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-118.5113.9172.2174.657.3000109.8T3 F5 L186 W195 V197 I203 V208 I223T3-L206 HydrophobicContact CG2-CD1 3.93Å; T3-L206 VanDerWaalsContact O-CA 3.3Å; T3-L206 WeakPolarHBondContact O-CA 3.47Å; F5-L206 HydrophobicContact CB-CD1 4.06Å; L186-L206 HydrophobicContact CD2-CD2 4.16Å; W195-L206 HydrophobicContact CH2-CD2 4.25Å; W195-L206 HydrophobicContact CZ3-CD2 4.08Å; V197-L206 HydrophobicContact CB-CD2 4.38Å; V197-L206 HydrophobicContact CG2-CD2 4.4Å; I203-L206 HydrophobicContact CG2-CB 3.83Å; L206-V208 HydrophobicContact CG-CG2 4.34Å; L206-I223 HydrophobicContact CB-CD1 4.27Å; L206-I223 HydrophobicContact CB-CG1 3.81Å; L206-I223 HydrophobicContact CD2-CD1 3.84Å; L206-I223 HydrophobicContact CD2-CG1 4.27Å; L206-I223 HydrophobicContact CG-CD1 4.13Å; L206-I223 HydrophobicContact CG-CG1 4.23Å
207S97Very high90.7Very high21 Ų2147.1 Ų47.115%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-97.7128.8171.9-69.10000110T3 H4 F5 W209T3-S207 PolarHBondContact O-N 3.17Å; H4-S207 CarbonylContact C-O 3.58Å; H4-S207 WeakPolarHBondContact CA-O 3.46Å; F5-S207 PolarHBondContact N-O 2.85Å; S207-W209 PolarHBondContact O-NE1 3.43Å
208V96.9Very high90.5Very high0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-106.6129.7179.6-168.10000109.4F5 W195 L206 L220F5-V208 HydrophobicContact CD1-CG1 3.71Å; F5-V208 HydrophobicContact CD1-CG2 4.48Å; F5-V208 HydrophobicContact CE1-CG1 4.2Å; F5-V208 HydrophobicContact CG-CG1 4.41Å; F5-V208 CarbonylContact O-C 3.58Å; F5-V208 VanDerWaalsContact O-CA 3.29Å; F5-V208 WeakPolarHBondContact O-CA 3.46Å; W195-V208 HydrophobicContact CH2-CG2 4.24Å; W195-V208 HydrophobicContact CZ2-CG2 4.39Å; L206-V208 HydrophobicContact CG-CG2 4.34Å; V208-L220 HydrophobicContact CB-CB 4.12Å; V208-L220 HydrophobicContact CG1-CB 4.21Å; V208-L220 HydrophobicContact CG1-CD1 3.89Å; V208-L220 PolarHBondContact O-N 3.09Å
209W96.5Very high90.3Very high47 Ų4756.4 Ų56.418%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-125.6146-173.3-5092000110.8H4 F5 A6 R7 M52 S207 W217 K218H4-W209 AromaticContact CG-NE1 3.87Å; H4-W209 AromaticContact ND1-CE2 3.82Å; H4-W209 AromaticContact ND1-NE1 3.12Å; H4-W209 PolarHBondContact ND1-NE1 3.42Å; H4-W209 VanDerWaalsContact ND1-NE1 3.12Å; F5-W209 PolarHBondContact O-N 3.11Å; A6-W209 CarbonylContact C-O 3.54Å; A6-W209 WeakPolarHBondContact CA-O 3.23Å; A6-W209 HydrophobicContact CB-CB 4.2Å; R7-W209 PolarHBondContact N-O 3.09Å; M52-W209 HydrophobicContact CE-CD2 3.93Å; M52-W209 HydrophobicContact CE-CE3 4.24Å; M52-W209 HydrophobicContact CE-CG 4.26Å; M52-W209 HydrophobicContact CE-CZ2 4.41Å; S207-W209 PolarHBondContact O-NE1 3.43Å; W209-W217 HydrophobicContact CB-CE3 3.78Å; W209-W217 HydrophobicContact CB-CZ3 3.73Å; W209-K218 WeakPolarHBondContact CA-O 3.45Å
210E94.8Very high90.2Very high55 Ų5557.2 Ų57.226%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-121.2124.8170.3-172.2165.3-92.300108.5R7 K218 L220R7-E210 HydrophobicContact CG-CG 4.48Å; R7-E210 IonicContact CZ-OE1 2.81Å; R7-E210 IonicContact NE-OE1 3.92Å; R7-E210 PolarHBondContact NE-OE1 3.32Å; R7-E210 IonicContact NH2-OE1 3.6Å; R7-E210 WeakPolarHBondContact O-CA 3.3Å; E210-K218 HydrophobicContact CB-CB 4.4Å; E210-K218 PolarHBondContact N-O 3.2Å; E210-K218 PolarHBondContact O-N 2.83Å; E210-L220 HydrophobicContact CB-CD1 4.16Å; E210-L220 HydrophobicContact CB-CD2 4.24Å; E210-L220 HydrophobicContact CB-CG 4.16Å
211L91.9Very high90Very high4 Ų459.9 Ų59.92%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-93.2115.6170.8-172.765000107.7R7 L15 L45 E48 W217R7-L211 PolarHBondContact O-N 3.17Å; L15-L211 HydrophobicContact CD2-CD2 3.75Å; L15-L211 HydrophobicContact CD2-CG 4.45Å; L45-L211 HydrophobicContact CD1-CB 3.75Å; L45-L211 HydrophobicContact CD1-CD2 3.7Å; L45-L211 HydrophobicContact CD1-CG 4.39Å; E48-L211 HydrophobicContact CB-CD2 4.16Å; E48-L211 HydrophobicContact CG-CD2 4.21Å; L211-W217 HydrophobicContact CB-CE3 4.12Å; L211-W217 HydrophobicContact CB-CH2 4.1Å; L211-W217 HydrophobicContact CB-CZ3 3.85Å; L211-W217 HydrophobicContact CD1-CD2 3.8Å; L211-W217 HydrophobicContact CD1-CE3 4.15Å; L211-W217 HydrophobicContact CD1-CG 4.22Å; L211-W217 HydrophobicContact CD1-CH2 4.35Å; L211-W217 HydrophobicContact CD1-CZ2 3.98Å; L211-W217 HydrophobicContact CD1-CZ3 4.42Å; L211-W217 HydrophobicContact CD2-CH2 4.47Å; L211-W217 HydrophobicContact CD2-CZ2 4.39Å
212D82.6Confident89.8Confident67 Ų6760.3 Ų60.336%0.35831%0.312SS..  trans-76.1169.9175.580.97.3000111.6K214 H215 S216D212-K214 PolarHBondContact O-N 3.04Å; D212-K214 VanDerWaalsContact O-N 3.11Å; D212-K214 VanDerWaalsContact OD1-C 3.27Å; D212-K214 VanDerWaalsContact OD1-CA 3.28Å; D212-K214 WeakPolarHBondContact OD1-CA 3.44Å; D212-K214 WeakPolarHBondContact OD1-CB 3.25Å; D212-K214 PolarHBondContact OD1-N 2.7Å; D212-H215 PolarHBondContact O-N 2.89Å; D212-H215 VanDerWaalsContact O-N 3.08Å; D212-H215 PolarHBondContact OD1-N 3.44Å; D212-H215 VanDerWaalsContact OD1-N 3.16Å; D212-S216 PolarHBondContact N-O 3.29Å; D212-S216 WeakPolarHBondContact OD1-CB 3.48Å; D212-S216 PolarHBondContact OD1-N 3.02Å; D212-S216 WeakPolarHBondContact OD2-CB 3.31Å
213G70.1Confident89.6Confident30 Ų3060.3 Ų60.331%0.30931%0.308SS..THydrogen-bonded Turntrans-63.8-15.1179.400000114.7H14 H215H14-G213 PolarHBondContact CD2-O 3.04Å; G213-H215 VanDerWaalsContact C-N 3.31Å
214K72.6Confident89.5Confident174 Ų17466.9 Ų66.976%0.75734%0.338SS*.THydrogen-bonded Turntrans-95.916.2177.1-63.5-178-179.3178.30111.8D212 S216D212-K214 PolarHBondContact O-N 3.04Å; D212-K214 VanDerWaalsContact O-N 3.11Å; D212-K214 VanDerWaalsContact OD1-C 3.27Å; D212-K214 VanDerWaalsContact OD1-CA 3.28Å; D212-K214 WeakPolarHBondContact OD1-CA 3.44Å; D212-K214 WeakPolarHBondContact OD1-CB 3.25Å; D212-K214 PolarHBondContact OD1-N 2.7Å; K214-S216 PolarHBondContact O-N 2.8Å
215H71Confident89.4Confident71 Ų7163.4 Ų63.433%0.32933%0.33SS..SBendtrans60.124.2-176.1-54.877.6000113.6D212 G213D212-H215 PolarHBondContact O-N 2.89Å; D212-H215 VanDerWaalsContact O-N 3.08Å; D212-H215 PolarHBondContact OD1-N 3.44Å; D212-H215 VanDerWaalsContact OD1-N 3.16Å; G213-H215 VanDerWaalsContact C-N 3.31Å
216S84.8Confident89.3Confident63 Ų6358.2 Ų58.244%0.44131%0.306SS..  trans-92.8131174-59.40000110.3D212 K214D212-S216 PolarHBondContact N-O 3.29Å; D212-S216 WeakPolarHBondContact OD1-CB 3.48Å; D212-S216 PolarHBondContact OD1-N 3.02Å; D212-S216 WeakPolarHBondContact OD2-CB 3.31Å; K214-S216 PolarHBondContact O-N 2.8Å
217W93.1Very high88.9Confident67 Ų6760.9 Ų60.925%0.25433%0.329SS..EExtended strand (participates in β ladder)trans-82.7128.9177.5-72.5103.6000111.1A6 L45 E48 L49 M52 W209 L211A6-W217 HydrophobicContact CB-CH2 3.87Å; A6-W217 HydrophobicContact CB-CZ3 3.74Å; L45-W217 HydrophobicContact CD1-CH2 3.77Å; L45-W217 HydrophobicContact CD1-CZ3 4.3Å; E48-W217 HydrophobicContact CB-CZ2 3.7Å; L49-W217 HydrophobicContact CB-CH2 4.09Å; L49-W217 HydrophobicContact CB-CZ2 4.26Å; L49-W217 HydrophobicContact CD1-CH2 4.11Å; M52-W217 HydrophobicContact CE-CD2 4.25Å; M52-W217 HydrophobicContact CE-CE3 4.44Å; M52-W217 HydrophobicContact CG-CG 4.35Å; W209-W217 HydrophobicContact CB-CE3 3.78Å; W209-W217 HydrophobicContact CB-CZ3 3.73Å; L211-W217 HydrophobicContact CB-CE3 4.12Å; L211-W217 HydrophobicContact CB-CH2 4.1Å; L211-W217 HydrophobicContact CB-CZ3 3.85Å; L211-W217 HydrophobicContact CD1-CD2 3.8Å; L211-W217 HydrophobicContact CD1-CE3 4.15Å; L211-W217 HydrophobicContact CD1-CG 4.22Å; L211-W217 HydrophobicContact CD1-CH2 4.35Å; L211-W217 HydrophobicContact CD1-CZ2 3.98Å; L211-W217 HydrophobicContact CD1-CZ3 4.42Å; L211-W217 HydrophobicContact CD2-CH2 4.47Å; L211-W217 HydrophobicContact CD2-CZ2 4.39Å
218K94.5Very high88.6Confident121 Ų12166.3 Ų66.353%0.52636%0.357SS..EExtended strand (participates in β ladder)trans-113.8123.6169.5-178.8-179174.9-170.70109.2W209 E210 L220W209-K218 WeakPolarHBondContact CA-O 3.45Å; E210-K218 HydrophobicContact CB-CB 4.4Å; E210-K218 PolarHBondContact N-O 3.2Å; E210-K218 PolarHBondContact O-N 2.83Å; K218-L220 HydrophobicContact CD-CD2 4.43Å
219S94.8Very high88.2Confident75 Ų7569.9 Ų69.952%0.52438%0.376SS..EExtended strand (participates in β ladder)trans-72.2130.1166.6-170.50000109.1
220L94.4Very high87.8Confident17 Ų1773.8 Ų73.89%0.08941%0.407CS..PPolyproline II helixtrans-89.5164.9169.8-63.1-176.9000110.1V208 E210 K218 D222V208-L220 HydrophobicContact CB-CB 4.12Å; V208-L220 HydrophobicContact CG1-CB 4.21Å; V208-L220 HydrophobicContact CG1-CD1 3.89Å; V208-L220 PolarHBondContact O-N 3.09Å; E210-L220 HydrophobicContact CB-CD1 4.16Å; E210-L220 HydrophobicContact CB-CD2 4.24Å; E210-L220 HydrophobicContact CB-CG 4.16Å; K218-L220 HydrophobicContact CD-CD2 4.43Å; L220-D222 PolarHBondContact O-N 3.04Å
221P92.9Very high87.4Confident74 Ų7476.2 Ų76.248%0.48143%0.426SS..PPolyproline II helixtrans-53138.1177.1-28.336.4000111.9R226P221-R226 HydrophobicContact CB-CG 4.09Å; P221-R226 PolarHBondContact O-NE 3.12Å
222D90.5Very high87.2Confident74 Ų7477.7 Ų77.740%0.39644%0.436SS..PPolyproline II helixtrans-72.2172.2178.669.210.9000112.2L220 H224 S225 R226L220-D222 PolarHBondContact O-N 3.04Å; D222-H224 VanDerWaalsContact C-N 3.29Å; D222-H224 PolarHBondContact O-N 3.22Å; D222-H224 PolarHBondContact OD1-N 3.06Å; D222-S225 PolarHBondContact O-N 3.28Å; D222-S225 WeakPolarHBondContact OD1-CB 3.44Å; D222-S225 PolarHBondContact OD1-N 2.64Å; D222-S225 PolarHBondContact OD1-OG 3.4Å; D222-R226 WeakPolarHBondContact O-CB 3.2Å; D222-R226 VanDerWaalsContact O-CG 3.29Å; D222-R226 WeakPolarHBondContact O-CG 3.48Å; D222-R226 PolarHBondContact O-N 3.17Å
223I90.4Very high87.7Confident25 Ų2578 Ų7813%0.12843%0.432CS..Hα-helixtrans-59.8-38-177.7-63-48.2000112.3L186 W195 L206 A227 M234L186-I223 HydrophobicContact CD1-CD1 3.95Å; L186-I223 HydrophobicContact CD1-CG1 4.23Å; L186-I223 HydrophobicContact CD1-CG2 3.82Å; L186-I223 HydrophobicContact CD2-CD1 3.84Å; W195-I223 HydrophobicContact CH2-CD1 4.29Å; L206-I223 HydrophobicContact CB-CD1 4.27Å; L206-I223 HydrophobicContact CB-CG1 3.81Å; L206-I223 HydrophobicContact CD2-CD1 3.84Å; L206-I223 HydrophobicContact CD2-CG1 4.27Å; L206-I223 HydrophobicContact CG-CD1 4.13Å; L206-I223 HydrophobicContact CG-CG1 4.23Å; I223-A227 VanDerWaalsContact O-CB 3.25Å; I223-A227 WeakPolarHBondContact O-CB 3.39Å; I223-A227 PolarHBondContact O-N 2.83Å; I223-M234 HydrophobicContact CB-CE 4.45Å; I223-M234 HydrophobicContact CD1-CE 3.75Å; I223-M234 HydrophobicContact CG2-CE 3.94Å
224H88.8Confident88.9Confident142 Ų14278.7 Ų78.766%0.65743%0.428SS*.Hα-helixtrans-68-45.5178.7-69.1-69000111.6D222 R226 A227 N228D222-H224 VanDerWaalsContact C-N 3.29Å; D222-H224 PolarHBondContact O-N 3.22Å; D222-H224 PolarHBondContact OD1-N 3.06Å; H224-R226 VanDerWaalsContact C-N 3.33Å; H224-R226 PolarHBondContact O-N 3.09Å; H224-A227 PolarHBondContact O-N 2.97Å; H224-N228 WeakPolarHBondContact O-CB 3.32Å; H224-N228 VanDerWaalsContact O-CG 3.28Å; H224-N228 PolarHBondContact O-N 3.43Å; H224-N228 PolarHBondContact O-ND2 2.83Å
225S90.6Very high90Very high65 Ų6571.6 Ų71.646%0.45540%0.398SS..Hα-helixtrans-62.4-41.1176.5-56.30000111.5D222 N229D222-S225 PolarHBondContact O-N 3.28Å; D222-S225 WeakPolarHBondContact OD1-CB 3.44Å; D222-S225 PolarHBondContact OD1-N 2.64Å; D222-S225 PolarHBondContact OD1-OG 3.4Å; S225-N229 PolarHBondContact O-N 2.85Å
226R91.7Very high91.2Very high24 Ų2473.1 Ų73.19%0.09140%0.401CS..Hα-helixtrans-66.8-45.3175-68.4173.8178.8-99.6-1111.6D188 E190 P221 D222 H224 N228 N229 S232 M234D188-R226 IonicContact OD2-CZ 2.64Å; D188-R226 IonicContact OD2-NH1 3.39Å; D188-R226 PolarHBondContact OD2-NH1 3.19Å; E190-R226 IonicContact OE1-CZ 3.42Å; E190-R226 IonicContact OE1-NH1 2.8Å; E190-R226 PolarHBondContact OE1-NH1 3.07Å; E190-R226 IonicContact OE1-NH2 2.97Å; E190-R226 PolarHBondContact OE1-NH2 2.93Å; P221-R226 HydrophobicContact CB-CG 4.09Å; P221-R226 PolarHBondContact O-NE 3.12Å; D222-R226 WeakPolarHBondContact O-CB 3.2Å; D222-R226 VanDerWaalsContact O-CG 3.29Å; D222-R226 WeakPolarHBondContact O-CG 3.48Å; D222-R226 PolarHBondContact O-N 3.17Å; H224-R226 VanDerWaalsContact C-N 3.33Å; H224-R226 PolarHBondContact O-N 3.09Å; R226-N228 PolarHBondContact O-N 2.91Å; R226-N229 WeakPolarHBondContact O-CB 3.24Å; R226-N229 PolarHBondContact O-N 3.11Å; R226-N229 VanDerWaalsContact O-N 3.1Å; R226-S232 WeakPolarHBondContact O-CB 3.21Å; R226-S232 PolarHBondContact O-OG 2.89Å; R226-M234 HydrophobicContact CB-CE 4.17Å; R226-M234 HydrophobicContact CB-SD 3.27Å; R226-M234 WeakPolarHBondContact CB-SD 3.46Å; R226-M234 HydrophobicContact CG-SD 4.47Å
227A88.2Confident91.8Very high63 Ų6370.2 Ų70.252%0.52138%0.38SS..Hα-helixtrans-63.1-30.5179.900000112.8I223 H224 M234I223-A227 VanDerWaalsContact O-CB 3.25Å; I223-A227 WeakPolarHBondContact O-CB 3.39Å; I223-A227 PolarHBondContact O-N 2.83Å; H224-A227 PolarHBondContact O-N 2.97Å; A227-M234 HydrophobicContact CB-SD 4.35Å
228N89.8Confident91.9Very high134 Ų13467.8 Ų67.872%0.71738%0.375SS*.THydrogen-bonded Turntrans-85.2-7.8177.8-67.8-27.5000113.8H224 R226 P230H224-N228 WeakPolarHBondContact O-CB 3.32Å; H224-N228 VanDerWaalsContact O-CG 3.28Å; H224-N228 PolarHBondContact O-N 3.43Å; H224-N228 PolarHBondContact O-ND2 2.83Å; R226-N228 PolarHBondContact O-N 2.91Å; N228-P230 WeakPolarHBondContact O-CD 3.27Å
229N89Confident92Very high76 Ų7663.5 Ų63.541%0.40636%0.357SS..SBendtrans-77122.3175.9-177.3-13.4000109.4S225 R226 T231 S232S225-N229 PolarHBondContact O-N 2.85Å; R226-N229 WeakPolarHBondContact O-CB 3.24Å; R226-N229 PolarHBondContact O-N 3.11Å; R226-N229 VanDerWaalsContact O-N 3.1Å; N229-T231 PolarHBondContact ND2-OG1 2.95Å; N229-T231 PolarHBondContact O-N 3.1Å; N229-T231 VanDerWaalsContact O-N 3.09Å; N229-T231 PolarHBondContact OD1-N 3.39Å; N229-T231 PolarHBondContact OD1-OG1 3.49Å; N229-S232 WeakPolarHBondContact O-CB 3.31Å; N229-S232 PolarHBondContact O-N 3.48Å
230P87.4Confident91.6Very high129 Ų12962.8 Ų62.884%0.83835%0.346SS*.THydrogen-bonded Turntrans-59-23.5-179.6-24.133.7000114.9N228N228-P230 WeakPolarHBondContact O-CD 3.27Å
231T86.9Confident90.6Very high106 Ų10666.3 Ų66.365%0.6537%0.373SS*.THydrogen-bonded Turntrans-92.21.1177.666.90000113.2N229N229-T231 PolarHBondContact ND2-OG1 2.95Å; N229-T231 PolarHBondContact O-N 3.1Å; N229-T231 VanDerWaalsContact O-N 3.09Å; N229-T231 PolarHBondContact OD1-N 3.39Å; N229-T231 PolarHBondContact OD1-OG1 3.49Å
232S88.3Confident88.8Confident34 Ų3469.4 Ų69.424%0.23839%0.39CS..  trans-66138.7177.8-175.10000111.5R226 N229 M234R226-S232 WeakPolarHBondContact O-CB 3.21Å; R226-S232 PolarHBondContact O-OG 2.89Å; N229-S232 WeakPolarHBondContact O-CB 3.31Å; N229-S232 PolarHBondContact O-N 3.48Å; S232-M234 WeakPolarHBondContact OG-CG 3.03Å; S232-M234 PolarHBondContact OG-SD 2.9Å
233R93Very high86.6Confident73 Ų7371.6 Ų71.628%0.27541%0.406SS..  trans-120.344.4-179-63.5168-55.7-168.6-24.6108.3E139 Q143 A189 E190 D191E139-R233 VanDerWaalsContact OE1-CD 3.24Å; E139-R233 WeakPolarHBondContact OE1-CD 3.27Å; E139-R233 IonicContact OE1-NE 3.97Å; E139-R233 WeakPolarHBondContact OE2-CD 3.37Å; E139-R233 IonicContact OE2-CZ 3.14Å; E139-R233 IonicContact OE2-NE 3.19Å; E139-R233 PolarHBondContact OE2-NE 3.42Å; E139-R233 IonicContact OE2-NH1 3.25Å; E139-R233 PolarHBondContact OE2-NH1 3.27Å; Q143-R233 PolarHBondContact NE2-O 2.79Å; A189-R233 HydrophobicContact CB-CB 3.87Å; A189-R233 PolarHBondContact N-O 3.48Å; A189-R233 VanDerWaalsContact O-CZ 3.27Å; A189-R233 PolarHBondContact O-NE 3.1Å; A189-R233 PolarHBondContact O-NH2 3.47Å; E190-R233 PolarHBondContact O-NH2 3.35Å; D191-R233 IonicContact OD1-CZ 3.95Å; D191-R233 IonicContact OD1-NH2 2.91Å; D191-R233 PolarHBondContact OD1-NH2 3.03Å
234M94.6Very high84.1Confident45 Ų4578.7 Ų78.722%0.22244%0.436CS..  trans-80.8144-178.3-73.1174.987.700112.3L186 C187 D188 I223 R226 A227 S232L186-M234 HydrophobicContact CD1-CE 3.84Å; L186-M234 HydrophobicContact CD2-CE 3.74Å; L186-M234 HydrophobicContact CG-CE 4.11Å; C187-M234 CarbonylContact O-C 3.56Å; C187-M234 VanDerWaalsContact O-CA 3.31Å; C187-M234 WeakPolarHBondContact O-CA 3.5Å; D188-M234 HydrophobicContact CB-CG 3.89Å; D188-M234 VanDerWaalsContact CG-CG 3.42Å; D188-M234 VanDerWaalsContact OD1-CG 3.31Å; D188-M234 WeakPolarHBondContact OD1-CG 2.9Å; I223-M234 HydrophobicContact CB-CE 4.45Å; I223-M234 HydrophobicContact CD1-CE 3.75Å; I223-M234 HydrophobicContact CG2-CE 3.94Å; R226-M234 HydrophobicContact CB-CE 4.17Å; R226-M234 HydrophobicContact CB-SD 3.27Å; R226-M234 WeakPolarHBondContact CB-SD 3.46Å; R226-M234 HydrophobicContact CG-SD 4.47Å; A227-M234 HydrophobicContact CB-SD 4.35Å; S232-M234 WeakPolarHBondContact OG-CG 3.03Å; S232-M234 PolarHBondContact OG-SD 2.9Å
235M95.6Very high81.5Confident26 Ų2676.7 Ų76.713%0.12844%0.438CS..EExtended strand (participates in β ladder)trans-127.8143166.6-63.1-168.8-6700110.2W130 Q143 L144 L186 C187 F237W130-M235 HydrophobicContact CH2-CE 4.24Å; W130-M235 HydrophobicContact CH2-SD 3.48Å; W130-M235 WeakPolarHBondContact CH2-SD 3.36Å; W130-M235 HydrophobicContact CZ2-SD 3.75Å; W130-M235 HydrophobicContact CZ3-SD 4.5Å; Q143-M235 HydrophobicContact CB-CE 3.28Å; Q143-M235 HydrophobicContact CG-CE 4.02Å; L144-M235 HydrophobicContact CD2-CE 4.37Å; L186-M235 WeakPolarHBondContact CA-O 3.13Å; C187-M235 PolarHBondContact N-O 2.67Å; C187-M235 PolarHBondContact O-N 2.97Å; M235-F237 HydrophobicContact CB-CD2 4.33Å; M235-F237 HydrophobicContact CB-CE2 3.93Å; M235-F237 HydrophobicContact CE-CE2 4.39Å; M235-F237 HydrophobicContact SD-CE2 4.13Å
236R95.9Very high78.8Confident102 Ų10282.6 Ų82.639%0.38546%0.456SS..EExtended strand (participates in β ladder)trans-125133.2172.3-168.6179.8-175.3113.7-7.7109.4G173 E184 A185 I203G173-R236 WeakPolarHBondContact CA-O 3.47Å; E184-R236 IonicContact OE1-NH2 3.43Å; E184-R236 IonicContact OE2-CZ 3.04Å; E184-R236 IonicContact OE2-NE 2.79Å; E184-R236 IonicContact OE2-NH2 3.91Å; E184-R236 PolarHBondContact OE2-NH2 3.34Å; A185-R236 CarbonylContact O-C 3.56Å; A185-R236 WeakPolarHBondContact O-CA 3.38Å; I203-R236 PolarHBondContact O-NH2 2.85Å
237F97.4Very high76Confident2 Ų285.7 Ų85.71%0.00948%0.481CS..EExtended strand (participates in β ladder)trans-121.2135.8177.2-74.1-122.5000109.1L144 L147 L168 P170 G173 R174 L175 E184 A185 M235L144-F237 HydrophobicContact CD2-CZ 3.98Å; L147-F237 HydrophobicContact CD1-CB 4.23Å; L147-F237 HydrophobicContact CD1-CD2 3.27Å; L147-F237 HydrophobicContact CD1-CE2 3.63Å; L147-F237 HydrophobicContact CD1-CG 3.78Å; L147-F237 HydrophobicContact CD1-CZ 4.38Å; L147-F237 HydrophobicContact CD2-CB 4.49Å; L147-F237 HydrophobicContact CD2-CD1 4.28Å; L147-F237 HydrophobicContact CD2-CD2 4.43Å; L147-F237 HydrophobicContact CD2-CG 4.18Å; L168-F237 HydrophobicContact CB-CE1 4Å; L168-F237 HydrophobicContact CD2-CD1 4.36Å; L168-F237 HydrophobicContact CD2-CE1 4.47Å; P170-F237 VanDerWaalsContact CA-CZ 3.47Å; P170-F237 HydrophobicContact CB-CE1 4.32Å; P170-F237 HydrophobicContact CB-CZ 3.81Å; G173-F237 VanDerWaalsContact O-CA 3.29Å; G173-F237 WeakPolarHBondContact O-CA 3.29Å; R174-F237 WeakPolarHBondContact O-CD1 3.25Å; L175-F237 HydrophobicContact CB-CB 4.43Å; L175-F237 HydrophobicContact CB-CD1 4.22Å; L175-F237 HydrophobicContact CD2-CB 3.82Å; L175-F237 HydrophobicContact CG-CB 4.45Å; E184-F237 CarbonylContact C-O 3.49Å; E184-F237 WeakPolarHBondContact CA-O 3.39Å; A185-F237 HydrophobicContact CB-CB 4.46Å; A185-F237 PolarHBondContact N-O 3.08Å; A185-F237 PolarHBondContact O-N 3.3Å; M235-F237 HydrophobicContact CB-CD2 4.33Å; M235-F237 HydrophobicContact CB-CE2 3.93Å; M235-F237 HydrophobicContact CE-CE2 4.39Å; M235-F237 HydrophobicContact SD-CE2 4.13Å
238A96.2Very high73.8Confident16 Ų1688.6 Ų88.613%0.13250%0.495CS..EExtended strand (participates in β ladder)trans-122.7145.2171.800000110.2G173 R174 L175 E184 L240G173-A238 PolarHBondContact O-N 2.77Å; G173-A238 VanDerWaalsContact O-N 3.09Å; R174-A238 VanDerWaalsContact CA-O 3.28Å; R174-A238 WeakPolarHBondContact CA-O 3.14Å; R174-A238 VanDerWaalsContact CD-O 3.26Å; R174-A238 WeakPolarHBondContact CD-O 3.45Å; L175-A238 PolarHBondContact N-O 3.18Å; E184-A238 HydrophobicContact CG-CB 4.12Å; A238-L240 PolarHBondContact O-N 3.05Å
239Q94.7Very high71.8Confident32 Ų3293.5 Ų93.515%0.1552%0.521CS..EExtended strand (participates in β ladder)trans-51.9133.5175.4-176.778.4-28.100110.1L175 C177 V180 N181 V183 S241L175-Q239 CarbonylContact O-C 3.54Å; L175-Q239 WeakPolarHBondContact O-CA 3.43Å; L175-Q239 PolarHBondContact O-OE1 3.31Å; C177-Q239 PolarHBondContact O-NE2 3.08Å; V180-Q239 PolarHBondContact O-NE2 3.36Å; N181-Q239 WeakPolarHBondContact O-CG 3.4Å; V183-Q239 WeakPolarHBondContact O-CB 3.26Å; V183-Q239 PolarHBondContact O-N 3.34Å; Q239-S241 PolarHBondContact O-N 3.4Å
240L88.1Confident71Confident59 Ų5994.4 Ų94.431%0.30953%0.527SS..PPolyproline II helixtrans-63.7120.2170.4-99.6136.1000109.3L169 R174 L175 K176 A238 T242L169-L240 HydrophobicContact CD1-CD1 3.24Å; R174-L240 HydrophobicContact CB-CD1 3.66Å; R174-L240 HydrophobicContact CB-CG 3.9Å; R174-L240 HydrophobicContact CG-CD1 4.32Å; R174-L240 HydrophobicContact CG-CG 4.1Å; L175-L240 PolarHBondContact O-N 2.94Å; K176-L240 HydrophobicContact CD-CD1 4.33Å; K176-L240 HydrophobicContact CG-CB 4.09Å; K176-L240 HydrophobicContact CG-CD1 3.66Å; A238-L240 PolarHBondContact O-N 3.05Å; L240-T242 PolarHBondContact O-N 2.65Å
241S71.8Confident70.1Confident92 Ų9292.5 Ų92.564%0.64351%0.51SS*.PPolyproline II helixtrans-59.7122.1168.2410000108.7Q239 V243Q239-S241 PolarHBondContact O-N 3.4Å; S241-V243 VanDerWaalsContact C-N 3.25Å; S241-V243 PolarHBondContact O-N 3.48Å
242T56.9Low69.2Low138 Ų13891.8 Ų91.885%0.84750%0.503SS*.  trans-66.993.4163.9-1.60000106.3L240 K244L240-T242 PolarHBondContact O-N 2.65Å; T242-K244 VanDerWaalsContact C-N 3.31Å; T242-K244 PolarHBondContact O-N 3.02Å
243V42.8Very low68.1Low121 Ų12195.2 Ų95.273%0.73352%0.518SS*.  trans-60.1105.1162.1-179.90000104.8S241 S245S241-V243 VanDerWaalsContact C-N 3.25Å; S241-V243 PolarHBondContact O-N 3.48Å; V243-S245 VanDerWaalsContact C-N 3.27Å; V243-S245 PolarHBondContact O-N 3.04Å
244K38.1Very low66.5Low173 Ų17396.6 Ų96.675%0.75253%0.533SS*.  trans-58.5102.6163.4-81-176.5177.4179.40104.9T242 F246T242-K244 VanDerWaalsContact C-N 3.31Å; T242-K244 PolarHBondContact O-N 3.02Å; K244-F246 VanDerWaalsContact C-N 3.29Å; K244-F246 PolarHBondContact O-N 2.92Å
245S33.7Very low64.6Low100 Ų100100 Ų10070%0.69955%0.554SS**  trans-59.5104.4162.847.30000105.4V243 S247V243-S245 VanDerWaalsContact C-N 3.27Å; V243-S245 PolarHBondContact O-N 3.04Å; S245-S247 VanDerWaalsContact C-N 3.25Å; S245-S247 PolarHBondContact O-N 3.09Å
246F34.5Very low62.4Low189 Ų189105.3 Ų105.383%0.82959%0.585SS**  trans-66.997.9162.4-86.6-88.6000105.3K244 P248K244-F246 VanDerWaalsContact C-N 3.29Å; K244-F246 PolarHBondContact O-N 2.92Å; F246-P248 WeakPolarHBondContact O-CD 3.43Å
247S32.1Very low59.8Low89 Ų89105.5 Ų105.562%0.62260%0.6SS**  trans-67.7118.4158.2-28.20000105.5S245 N249S245-S247 VanDerWaalsContact C-N 3.25Å; S245-S247 PolarHBondContact O-N 3.09Å; S247-N249 PolarHBondContact O-N 3.26Å
248P42.8Very low56.7Low125 Ų125114.2 Ų114.281%0.81265%0.649SS**  trans-66.6124.5167.527.8-28.3000107F246F246-P248 WeakPolarHBondContact O-CD 3.43Å
249N49Very low53.1Low236 Ų236123.1 Ų123.1100%1.26270%0.696SS**  trans-63.50164.4-75.2-17.8000110.2S247S247-N249 PolarHBondContact O-N 3.26Å

Retrieved 249 of 249 residues in 73 ms (Link to these results)

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