A0A096NEW6_PAPAN Loading...

Interleukin-1

AlphaFold DB , UniProt , Accession A0A096NEW6, Species PAPAN (Papio anubis, Olive baboon), Gene IL36RN, Length 155 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
1M60.4Low88.6Confident235 Ų23574.9 Ų74.9100%1.15843%0.426SS*.  0129.40-167.2173.9-114.900107.3
2V79.1Confident89.2Confident86 Ų8673.3 Ų73.352%0.52141%0.411SS..  trans-95.3132176.6-1780000107.2Y89 L90V2-Y89 WeakPolarHBondContact CA-OH 3.49Å; V2-Y89 HydrophobicContact CG1-CE1 3.69Å; V2-L90 HydrophobicContact CG1-CD2 3.72Å
3L81.8Confident89.8Confident50 Ų5067.7 Ų67.726%0.26238%0.379SS..  trans-66.6136.8177.5-64.4174.6000110.3G5 L7 V45 M86 Y89L3-G5 WeakPolarHBondContact CB-O 3.42Å; L3-L7 HydrophobicContact CD1-CG 4.45Å; L3-V45 HydrophobicContact CD1-CG1 4.29Å; L3-M86 WeakPolarHBondContact O-CE 3.49Å; L3-Y89 HydrophobicContact CB-CE1 3.88Å; L3-Y89 HydrophobicContact CD1-CE2 4.43Å; L3-Y89 HydrophobicContact CG-CE1 4.4Å; L3-Y89 PolarHBondContact N-OH 3.05Å
4S84.4Confident90.1Very high138 Ų13866.6 Ų66.697%0.96538%0.378SS*.SBendtrans-77.9-11.8172.155.10000113
5G89.4Confident90.4Very high31 Ų3166 Ų6632%0.3239%0.385SS..SBendtrans-171.5166.2177.500000110.7L3L3-G5 WeakPolarHBondContact CB-O 3.42Å
6A94.5Very high90.6Very high34 Ų3467.7 Ų67.728%0.28139%0.391SS..PPolyproline II helixtrans-66.6148.1176.800000111.3V45 I85 M86A6-V45 HydrophobicContact CB-CG1 3.79Å; A6-I85 HydrophobicContact CB-CD1 4.34Å; A6-I85 HydrophobicContact CB-CG2 3.8Å; A6-M86 HydrophobicContact CB-SD 4.4Å
7L96.8Very high90.9Very high68 Ų6864.5 Ų64.536%0.35637%0.372SS..EExtended strand (participates in β ladder)trans-73.7144.5171.8-58.4174000109.3L3 F9 S43 V44L3-L7 HydrophobicContact CD1-CG 4.45Å; L7-F9 HydrophobicContact CB-CD2 4.11Å; L7-F9 HydrophobicContact CB-CE2 3.55Å; L7-F9 HydrophobicContact CD1-CE2 4.11Å; L7-F9 HydrophobicContact CG-CE2 4.49Å; L7-S43 CarbonylContact O-C 3.45Å; L7-S43 WeakPolarHBondContact O-CA 3.26Å; L7-V44 WeakPolarHBondContact CB-O 3.23Å; L7-V44 PolarHBondContact N-O 3.47Å; L7-V44 PolarHBondContact O-N 2.77Å
8C97.4Very high91.1Very high40 Ų4063.6 Ų63.627%0.2737%0.367SS..EExtended strand (participates in β ladder)trans-97130.7177.3-177.60000110.4Q153 C154C8-Q153 WeakPolarHBondContact O-CA 3.38Å; C8-Q153 WeakPolarHBondContact O-CG 3.29Å; C8-C154 HydrophobicContact CB-CB 3.6Å; C8-C154 WeakPolarHBondContact CB-SG 3.36Å; C8-C154 PolarHBondContact O-N 3.46Å; C8-C154 PolarHBondContact O-SG 2.96Å; C8-C154 WeakPolarHBondContact SG-CB 3.38Å; C8-C154 CovalentContact SG-SG 2.05Å; C8-C154 PolarHBondContact SG-SG 3.11Å
9F97.6Very high91.4Very high20 Ų2060.3 Ų60.39%0.08835%0.348CS..EExtended strand (participates in β ladder)trans-132.1156.1174-72.7-98.7000111.5L7 I42 V44 F151 Q152 Q153 C154L7-F9 HydrophobicContact CB-CD2 4.11Å; L7-F9 HydrophobicContact CB-CE2 3.55Å; L7-F9 HydrophobicContact CD1-CE2 4.11Å; L7-F9 HydrophobicContact CG-CE2 4.49Å; F9-I42 PolarHBondContact N-O 2.82Å; F9-I42 PolarHBondContact O-N 2.76Å; F9-V44 HydrophobicContact CB-CG2 4.11Å; F9-V44 HydrophobicContact CD2-CB 3.68Å; F9-V44 HydrophobicContact CD2-CG1 4.42Å; F9-V44 HydrophobicContact CD2-CG2 3.41Å; F9-V44 VanDerWaalsContact CD2-CG2 3.41Å; F9-V44 HydrophobicContact CE2-CB 3.92Å; F9-V44 HydrophobicContact CE2-CG1 4.33Å; F9-V44 HydrophobicContact CE2-CG2 4.13Å; F9-V44 HydrophobicContact CG-CG2 4.01Å; F9-F151 HydrophobicContact CB-CD2 4.31Å; F9-F151 HydrophobicContact CB-CE2 3.84Å; F9-F151 HydrophobicContact CB-CZ 4.11Å; F9-F151 AromaticContact CD1-CD1 3.69Å; F9-F151 HydrophobicContact CD1-CD1 3.69Å; F9-F151 HydrophobicContact CD1-CD2 4.21Å; F9-F151 AromaticContact CD1-CE1 3.49Å; F9-F151 HydrophobicContact CD1-CE1 3.49Å; F9-F151 VanDerWaalsContact CD1-CE1 3.49Å; F9-F151 HydrophobicContact CD1-CE2 4.03Å; F9-F151 HydrophobicContact CD1-CG 4.07Å; F9-F151 AromaticContact CD1-CZ 3.69Å; F9-F151 HydrophobicContact CD1-CZ 3.69Å; F9-F151 HydrophobicContact CD2-CE1 4.33Å; F9-F151 AromaticContact CD2-CZ 3.99Å; F9-F151 HydrophobicContact CD2-CZ 3.99Å; F9-F151 AromaticContact CE1-CD1 3.79Å; F9-F151 HydrophobicContact CE1-CD1 3.79Å; F9-F151 AromaticContact CE1-CE1 3.49Å; F9-F151 HydrophobicContact CE1-CE1 3.49Å; F9-F151 VanDerWaalsContact CE1-CE1 3.49Å; F9-F151 HydrophobicContact CE1-CZ 4.09Å; F9-F151 HydrophobicContact CE2-CE1 4.29Å; F9-F151 HydrophobicContact CE2-CZ 4.32Å; F9-F151 HydrophobicContact CG-CD1 4.47Å; F9-F151 HydrophobicContact CG-CD2 4.45Å; F9-F151 AromaticContact CG-CE1 3.94Å; F9-F151 HydrophobicContact CG-CE1 3.94Å; F9-F151 AromaticContact CG-CE2 3.9Å; F9-F151 HydrophobicContact CG-CE2 3.9Å; F9-F151 AromaticContact CG-CZ 3.66Å; F9-F151 HydrophobicContact CG-CZ 3.66Å; F9-F151 AromaticContact CZ-CE1 3.92Å; F9-F151 HydrophobicContact CZ-CE1 3.92Å; F9-F151 HydrophobicContact CZ-CZ 4.39Å; F9-Q152 CarbonylContact C-O 3.59Å; F9-Q152 WeakPolarHBondContact CA-O 3.12Å; F9-Q152 VanDerWaalsContact CD1-C 3.45Å; F9-Q152 WeakPolarHBondContact CD1-O 3.48Å; F9-Q153 HydrophobicContact CD1-CB 4.2Å; F9-Q153 HydrophobicContact CE1-CB 3.89Å; F9-Q153 HydrophobicContact CE1-CG 4.44Å; F9-Q153 HydrophobicContact CZ-CB 4.29Å; F9-Q153 HydrophobicContact CZ-CG 4.37Å; F9-C154 PolarHBondContact N-SG 3.13Å
10R96.1Very high91.7Very high115 Ų11559.1 Ų59.143%0.43434%0.338SS..EExtended strand (participates in β ladder)trans-114.8140.1166.2-68.7-179.3-179.2145.56.7109.4E41 Q152R10-E41 IonicContact CZ-OE1 2.65Å; R10-E41 IonicContact NE-OE1 3.13Å; R10-E41 IonicContact NH2-OE1 3.92Å; R10-E41 PolarHBondContact NH2-OE1 3.29Å; R10-Q152 PolarHBondContact N-O 3.15Å; R10-Q152 PolarHBondContact O-N 3.33Å
11M97.3Very high91.9Very high7 Ų758 Ų583%0.03433%0.331CS..EExtended strand (participates in β ladder)trans-122.1136.4-176.5-70.4-176.472.500111.4L19 I42 F111 L121 F149 Y150 F151M11-L19 HydrophobicContact CB-CB 4.28Å; M11-L19 HydrophobicContact CB-CD1 3.66Å; M11-L19 HydrophobicContact CB-CG 3.91Å; M11-L19 HydrophobicContact CE-CD1 4.19Å; M11-L19 PolarHBondContact O-N 2.92Å; M11-L19 HydrophobicContact SD-CD1 4.3Å; M11-I42 HydrophobicContact CB-CG1 4.36Å; M11-I42 HydrophobicContact CG-CG1 4.02Å; M11-I42 HydrophobicContact SD-CB 4.39Å; M11-I42 HydrophobicContact SD-CG1 3.94Å; M11-I42 HydrophobicContact SD-CG2 4.17Å; M11-F111 HydrophobicContact CE-CD2 4.09Å; M11-F111 HydrophobicContact CE-CE2 3.57Å; M11-F111 HydrophobicContact CE-CZ 4.01Å; M11-L121 HydrophobicContact CE-CD2 4.31Å; M11-F149 HydrophobicContact CE-CB 3.99Å; M11-F149 HydrophobicContact CE-CD1 4.06Å; M11-F149 HydrophobicContact CE-CG 3.96Å; M11-Y150 WeakPolarHBondContact CA-O 3.03Å; M11-F151 HydrophobicContact CE-CD2 4.22Å; M11-F151 HydrophobicContact CG-CD2 3.65Å; M11-F151 HydrophobicContact CG-CE2 4.11Å; M11-F151 HydrophobicContact SD-CD2 3.84Å; M11-F151 HydrophobicContact SD-CE2 3.88Å
12K96.1Very high93.5Very high56 Ų5651.4 Ų51.424%0.24330%0.297CS..EExtended strand (participates in β ladder)trans-140.5144.2166.659.8-174.4179.9-164.10108.5L16 K17 V18 F149 Y150K12-L16 HydrophobicContact CD-CD2 4.02Å; K12-K17 CarbonylContact C-O 3.48Å; K12-K17 WeakPolarHBondContact CA-O 3.38Å; K12-K17 WeakPolarHBondContact CB-O 3.34Å; K12-V18 HydrophobicContact CB-CG2 4.39Å; K12-F149 CarbonylContact O-C 3.52Å; K12-F149 VanDerWaalsContact O-CA 3.3Å; K12-F149 WeakPolarHBondContact O-CA 3.43Å; K12-Y150 HydrophobicContact CD-CD2 4.18Å; K12-Y150 HydrophobicContact CD-CG 4.44Å; K12-Y150 HydrophobicContact CG-CD2 3.8Å; K12-Y150 HydrophobicContact CG-CG 4.1Å; K12-Y150 PolarHBondContact N-O 2.88Å; K12-Y150 PolarHBondContact O-N 2.81Å
13D96.5Very high94.1Very high0 Ų053.5 Ų53.50%031%0.305CS..EExtended strand (participates in β ladder)trans-70.2173.2174.870.319.8000111.7A15 L16 K17 T123 I146 D148 F149 Y150D13-A15 PolarHBondContact O-N 3.29Å; D13-A15 VanDerWaalsContact OD1-CA 3.3Å; D13-A15 WeakPolarHBondContact OD1-CA 2.78Å; D13-A15 WeakPolarHBondContact OD1-CB 3.31Å; D13-A15 PolarHBondContact OD1-N 3.1Å; D13-L16 WeakPolarHBondContact O-CA 3.29Å; D13-L16 PolarHBondContact O-N 2.97Å; D13-L16 PolarHBondContact OD1-N 3.46Å; D13-L16 VanDerWaalsContact OD1-N 3.1Å; D13-K17 PolarHBondContact N-O 2.89Å; D13-K17 WeakPolarHBondContact OD1-CB 3.41Å; D13-K17 PolarHBondContact OD1-N 2.7Å; D13-K17 IonicContact OD1-NZ 2.96Å; D13-K17 WeakPolarHBondContact OD2-CB 3.46Å; D13-K17 WeakPolarHBondContact OD2-CE 3.43Å; D13-K17 IonicContact OD2-NZ 3.86Å; D13-K17 PolarHBondContact OD2-NZ 2.8Å; D13-T123 HydrophobicContact CB-CG2 4.1Å; D13-T123 PolarHBondContact OD2-OG1 3.2Å; D13-I146 HydrophobicContact CB-CG2 3.97Å; D13-D148 CarbonylContact C-O 3.52Å; D13-D148 WeakPolarHBondContact CA-O 3.4Å; D13-F149 HydrophobicContact CB-CD1 4.09Å; D13-F149 HydrophobicContact CB-CE1 4.09Å; D13-Y150 WeakPolarHBondContact O-CD2 3.48Å
14S94.8Very high94.6Very high52 Ų5254.9 Ų54.936%0.36431%0.313SS..THydrogen-bonded Turntrans-65.4-17.6179.7610000113.9L16 I146 D148S14-L16 PolarHBondContact O-N 3.13Å; S14-I146 WeakPolarHBondContact OG-CG2 2.82Å; S14-D148 PolarHBondContact N-O 3.1Å
15A93.8Very high95.1Very high58 Ų5853.4 Ų53.448%0.47929%0.291SS..THydrogen-bonded Turntrans-86.511.2169.200000112.9D13 K17 I146D13-A15 PolarHBondContact O-N 3.29Å; D13-A15 VanDerWaalsContact OD1-CA 3.3Å; D13-A15 WeakPolarHBondContact OD1-CA 2.78Å; D13-A15 WeakPolarHBondContact OD1-CB 3.31Å; D13-A15 PolarHBondContact OD1-N 3.1Å; A15-K17 PolarHBondContact O-N 3.09Å; A15-I146 HydrophobicContact CB-CD1 3.79Å
16L94Very high95.4Very high93 Ų9352.3 Ų52.349%0.48728%0.278SS..  trans64.718.6178.5-51.1176000114.4K12 D13 S14 V18 Y150K12-L16 HydrophobicContact CD-CD2 4.02Å; D13-L16 WeakPolarHBondContact O-CA 3.29Å; D13-L16 PolarHBondContact O-N 2.97Å; D13-L16 PolarHBondContact OD1-N 3.46Å; D13-L16 VanDerWaalsContact OD1-N 3.1Å; S14-L16 PolarHBondContact O-N 3.13Å; L16-V18 PolarHBondContact O-N 3.25Å; L16-Y150 HydrophobicContact CD2-CD2 4.13Å; L16-Y150 HydrophobicContact CD2-CE2 3.62Å
17K95Very high95.5Very high14 Ų1451.3 Ų51.36%0.06127%0.267CS..PPolyproline II helixtrans-74.9121.9172.2-57.7-164.4-63.5-64.10109.6K12 D13 A15 A28 G29 V124 A127K12-K17 CarbonylContact C-O 3.48Å; K12-K17 WeakPolarHBondContact CA-O 3.38Å; K12-K17 WeakPolarHBondContact CB-O 3.34Å; D13-K17 PolarHBondContact N-O 2.89Å; D13-K17 WeakPolarHBondContact OD1-CB 3.41Å; D13-K17 PolarHBondContact OD1-N 2.7Å; D13-K17 IonicContact OD1-NZ 2.96Å; D13-K17 WeakPolarHBondContact OD2-CB 3.46Å; D13-K17 WeakPolarHBondContact OD2-CE 3.43Å; D13-K17 IonicContact OD2-NZ 3.86Å; D13-K17 PolarHBondContact OD2-NZ 2.8Å; A15-K17 PolarHBondContact O-N 3.09Å; K17-A28 HydrophobicContact CB-CB 4.09Å; K17-G29 CarbonylContact C-O 3.55Å; K17-G29 WeakPolarHBondContact CA-O 3.37Å; K17-G29 WeakPolarHBondContact CB-O 3.47Å; K17-V124 WeakPolarHBondContact CE-O 3.43Å; K17-V124 PolarHBondContact NZ-O 2.88Å; K17-A127 HydrophobicContact CD-CB 4.47Å
18V95.3Very high95.5Very high48 Ų4848 Ų4829%0.29125%0.25SS..EExtended strand (participates in β ladder)trans-79135.1-175.9176.30000109.4K12 L16 G29K12-V18 HydrophobicContact CB-CG2 4.39Å; L16-V18 PolarHBondContact O-N 3.25Å; V18-G29 PolarHBondContact N-O 2.84Å; V18-G29 PolarHBondContact O-N 2.98Å
19L96.9Very high95.2Very high1 Ų146.3 Ų46.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-76.5128.7173.8-57.4-166000110.1M11 L26 L27 A28 G39 E40 T123 V131 F149M11-L19 HydrophobicContact CB-CB 4.28Å; M11-L19 HydrophobicContact CB-CD1 3.66Å; M11-L19 HydrophobicContact CB-CG 3.91Å; M11-L19 HydrophobicContact CE-CD1 4.19Å; M11-L19 PolarHBondContact O-N 2.92Å; M11-L19 HydrophobicContact SD-CD1 4.3Å; L19-L26 HydrophobicContact CB-CD1 4.24Å; L19-L26 HydrophobicContact CB-CD2 4.39Å; L19-L26 HydrophobicContact CB-CG 4.25Å; L19-L26 HydrophobicContact CD1-CD2 3.89Å; L19-L26 HydrophobicContact CD1-CG 4.49Å; L19-L27 VanDerWaalsContact CA-O 3.31Å; L19-L27 WeakPolarHBondContact CA-O 3.37Å; L19-A28 HydrophobicContact CD2-CB 3.92Å; L19-G39 CarbonylContact O-C 3.53Å; L19-G39 VanDerWaalsContact O-CA 3.31Å; L19-G39 WeakPolarHBondContact O-CA 3.42Å; L19-E40 PolarHBondContact O-N 3.43Å; L19-T123 HydrophobicContact CD2-CG2 4.17Å; L19-V131 HydrophobicContact CD1-CG2 4.3Å; L19-V131 HydrophobicContact CD2-CG2 3.73Å; L19-F149 HydrophobicContact CD1-CD1 4.33Å; L19-F149 HydrophobicContact CD1-CE1 4.18Å; L19-F149 HydrophobicContact CD2-CE1 4.37Å
20Y96.3Very high94.4Very high36 Ų3646.1 Ų46.114%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-142.1154.717975-81.3000111.1H22 L27 I37 D128Y20-H22 HydrophobicContact CD2-CB 4.29Å; Y20-H22 HydrophobicContact CE2-CB 3.82Å; Y20-L27 HydrophobicContact CD1-CB 4.16Å; Y20-L27 HydrophobicContact CE1-CB 3.66Å; Y20-L27 HydrophobicContact CE2-CB 4.37Å; Y20-L27 HydrophobicContact CE2-CD1 4.14Å; Y20-L27 PolarHBondContact N-O 2.8Å; Y20-L27 PolarHBondContact O-N 2.92Å; Y20-I37 HydrophobicContact CD1-CD1 4.34Å; Y20-I37 HydrophobicContact CD1-CG2 3.67Å; Y20-I37 HydrophobicContact CD2-CG2 4.02Å; Y20-I37 HydrophobicContact CE1-CD1 4.03Å; Y20-I37 HydrophobicContact CE1-CG2 4.3Å; Y20-I37 HydrophobicContact CG-CG2 3.48Å; Y20-I37 VanDerWaalsContact CG-CG2 3.48Å; Y20-D128 WeakPolarHBondContact CE1-OD1 3.38Å; Y20-D128 PolarHBondContact OH-OD1 2.94Å
21L95.9Very high93.2Very high37 Ų3749 Ų4919%0.19427%0.266CS..EExtended strand (participates in β ladder)trans-91.8130.2-178.9-167.372.8000111.3V61 Q62 L80L21-V61 HydrophobicContact CD1-CG2 4.31Å; L21-Q62 HydrophobicContact CD2-CG 3.41Å; L21-Q62 VanDerWaalsContact CD2-CG 3.41Å; L21-Q62 VanDerWaalsContact CD2-NE2 3.33Å; L21-L80 HydrophobicContact CD1-CD1 3.5Å
22H94.2Very high91.7Very high95 Ų9552.6 Ų52.644%0.4428%0.283SS..EExtended strand (participates in β ladder)trans-146.5131.4172.9-171.466.2000110.5Y20 N24 Q25 L27Y20-H22 HydrophobicContact CD2-CB 4.29Å; Y20-H22 HydrophobicContact CE2-CB 3.82Å; H22-N24 VanDerWaalsContact C-N 3.25Å; H22-N24 PolarHBondContact O-N 3.07Å; H22-N24 VanDerWaalsContact O-N 3.16Å; H22-Q25 PolarHBondContact N-O 3.49Å; H22-Q25 PolarHBondContact O-N 3.41Å; H22-Q25 VanDerWaalsContact O-O 3.07Å; H22-L27 HydrophobicContact CB-CD1 3.71Å; H22-L27 HydrophobicContact CB-CG 4.25Å
23N92.3Very high89.7Confident130 Ų13055.4 Ų55.470%0.69532%0.317SS*.THydrogen-bonded Turntrans46.844.1180-60.9-23.8000114.3Q25N23-Q25 PolarHBondContact O-N 2.86Å
24N92.4Very high87.8Confident80 Ų8059.6 Ų59.643%0.42836%0.36SS..THydrogen-bonded Turntrans60.628.1-178.7-153.978000114.1H22 Q66H22-N24 VanDerWaalsContact C-N 3.25Å; H22-N24 PolarHBondContact O-N 3.07Å; H22-N24 VanDerWaalsContact O-N 3.16Å; N24-Q66 PolarHBondContact OD1-NE2 3.49Å; N24-Q66 PolarHBondContact OD1-OE1 3.2Å; N24-Q66 VanDerWaalsContact OD1-OE1 3.1Å
25Q94.3Very high86.6Confident106 Ų10664.6 Ų64.650%0.49538%0.375SS..EExtended strand (participates in β ladder)trans-129.7142.8171.3-62.7-173.7-69.200109.7H22 N23 L27H22-Q25 PolarHBondContact N-O 3.49Å; H22-Q25 PolarHBondContact O-N 3.41Å; H22-Q25 VanDerWaalsContact O-O 3.07Å; N23-Q25 PolarHBondContact O-N 2.86Å; Q25-L27 HydrophobicContact CB-CD2 4.15Å
26L96.3Very high85.6Confident9 Ų968.7 Ų68.75%0.04739%0.394CS..EExtended strand (participates in β ladder)trans-84.8120.3171.4-163.467.1000108.1L19 E40 I42 V61 L68 P130 V131L19-L26 HydrophobicContact CB-CD1 4.24Å; L19-L26 HydrophobicContact CB-CD2 4.39Å; L19-L26 HydrophobicContact CB-CG 4.25Å; L19-L26 HydrophobicContact CD1-CD2 3.89Å; L19-L26 HydrophobicContact CD1-CG 4.49Å; L26-E40 HydrophobicContact CD1-CB 4.17Å; L26-E40 HydrophobicContact CD1-CG 4.36Å; L26-I42 HydrophobicContact CD1-CD1 4.35Å; L26-I42 HydrophobicContact CD2-CD1 4.4Å; L26-V61 HydrophobicContact CD1-CG1 4.29Å; L26-L68 HydrophobicContact CD2-CD1 4.28Å; L26-P130 WeakPolarHBondContact O-CA 3.29Å; L26-V131 HydrophobicContact CB-CB 4.48Å; L26-V131 HydrophobicContact CB-CG2 4.23Å; L26-V131 HydrophobicContact CD2-CG2 4.18Å; L26-V131 HydrophobicContact CG-CG2 4.05Å; L26-V131 WeakPolarHBondContact O-CG2 3.36Å; L26-V131 PolarHBondContact O-N 3.16Å
27L96.6Very high84.9Confident12 Ų1266 Ų666%0.06338%0.379CS..EExtended strand (participates in β ladder)trans-112154.6-179.2-54.4-173.9000110.5L19 Y20 H22 Q25 Q129 P130L19-L27 VanDerWaalsContact CA-O 3.31Å; L19-L27 WeakPolarHBondContact CA-O 3.37Å; Y20-L27 HydrophobicContact CD1-CB 4.16Å; Y20-L27 HydrophobicContact CE1-CB 3.66Å; Y20-L27 HydrophobicContact CE2-CB 4.37Å; Y20-L27 HydrophobicContact CE2-CD1 4.14Å; Y20-L27 PolarHBondContact N-O 2.8Å; Y20-L27 PolarHBondContact O-N 2.92Å; H22-L27 HydrophobicContact CB-CD1 3.71Å; H22-L27 HydrophobicContact CB-CG 4.25Å; Q25-L27 HydrophobicContact CB-CD2 4.15Å; L27-Q129 WeakPolarHBondContact CA-O 3.47Å; L27-P130 HydrophobicContact CD2-CB 3.97Å; L27-P130 HydrophobicContact CD2-CG 3.74Å
28A96.3Very high84.6Confident0 Ų073.5 Ų73.50%041%0.412CS..EExtended strand (participates in β ladder)trans-101.199.3172.900000110.8K17 L19 T123 D128 Q129K17-A28 HydrophobicContact CB-CB 4.09Å; L19-A28 HydrophobicContact CD2-CB 3.92Å; A28-T123 HydrophobicContact CB-CG2 3.49Å; A28-T123 VanDerWaalsContact CB-CG2 3.49Å; A28-D128 PolarHBondContact O-N 2.87Å; A28-Q129 PolarHBondContact N-O 2.91Å
29G91Very high84.4Confident3 Ų372 Ų723%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-83.8128.2-172.600000113.6K17 V18K17-G29 CarbonylContact C-O 3.55Å; K17-G29 WeakPolarHBondContact CA-O 3.37Å; K17-G29 WeakPolarHBondContact CB-O 3.47Å; V18-G29 PolarHBondContact N-O 2.84Å; V18-G29 PolarHBondContact O-N 2.98Å
30G81Confident84.4Confident17 Ų1773.7 Ų73.718%0.17541%0.414CS..  trans-77.9167.7171.500000112.8H32G30-H32 PolarHBondContact O-N 2.78Å; G30-H32 PolarHBondContact O-ND1 2.85Å; G30-H32 VanDerWaalsContact O-ND1 3.14Å
31L70.3Confident84.5Confident175 Ų17575.7 Ų75.792%0.91643%0.425SS*.  trans-67.3100.2166.9-86.7127.2000109.3
32H65.8Low84.6Confident82 Ų8274 Ų7438%0.3842%0.417SS..BIsolated β-bridgetrans-78.8134.2167-66.286.7000108.9G30 G34 K35 D128G30-H32 PolarHBondContact O-N 2.78Å; G30-H32 PolarHBondContact O-ND1 2.85Å; G30-H32 VanDerWaalsContact O-ND1 3.14Å; H32-G34 PolarHBondContact O-N 3.08Å; H32-K35 HydrophobicContact CB-CB 4.05Å; H32-K35 PolarHBondContact O-N 2.82Å; H32-K35 VanDerWaalsContact O-N 3.1Å; H32-D128 VanDerWaalsContact CE1-CG 3.45Å; H32-D128 IonicContact CE1-OD1 2.69Å; H32-D128 PolarHBondContact CE1-OD1 2.69Å; H32-D128 IonicContact CE1-OD2 3.89Å; H32-D128 PolarHBondContact CE1-OD2 3Å; H32-D128 IonicContact NE2-OD2 3.92Å; H32-D128 PolarHBondContact NE2-OD2 3.06Å; H32-D128 VanDerWaalsContact NE2-OD2 3.13Å
33A54.4Low84.8Confident116 Ų11670.1 Ų70.196%0.95940%0.4SS*.THydrogen-bonded Turntrans-51.6103.2175.700000110.6
34G57.8Low85.1Confident88 Ų8864.2 Ų64.291%0.90737%0.368SS*.THydrogen-bonded Turntrans87.2-3.9175.900000117.4H32H32-G34 PolarHBondContact O-N 3.08Å
35K68.6Low85.3Confident156 Ų15660.4 Ų60.468%0.67835%0.348SS*.BIsolated β-bridgetrans-110.4107.6178.8-165.4179.2-178.8-175.10110.9H32 I37H32-K35 HydrophobicContact CB-CB 4.05Å; H32-K35 PolarHBondContact O-N 2.82Å; H32-K35 VanDerWaalsContact O-N 3.1Å; K35-I37 PolarHBondContact O-N 2.89Å
36V72.2Confident85.5Confident144 Ų14458 Ų5887%0.87334%0.342SS*.  trans-74.3110.9170.9-1780000108.1K38V36-K38 PolarHBondContact O-N 2.05Å
37I80.8Confident85.4Confident36 Ų3657.8 Ų57.819%0.18534%0.341CS..  trans-76.3121.1171-61.2176.3000107.5Y20 K35 G39Y20-I37 HydrophobicContact CD1-CD1 4.34Å; Y20-I37 HydrophobicContact CD1-CG2 3.67Å; Y20-I37 HydrophobicContact CD2-CG2 4.02Å; Y20-I37 HydrophobicContact CE1-CD1 4.03Å; Y20-I37 HydrophobicContact CE1-CG2 4.3Å; Y20-I37 HydrophobicContact CG-CG2 3.48Å; Y20-I37 VanDerWaalsContact CG-CG2 3.48Å; K35-I37 PolarHBondContact O-N 2.89Å; I37-G39 PolarHBondContact O-N 3.35Å
38K87.1Confident85.3Confident172 Ų17262.7 Ų62.775%0.74836%0.358SS*.  trans-71.9114.8169.5-171.4-177.1177.8-173.20107.7V36V36-K38 PolarHBondContact O-N 2.05Å
39G92.6Very high85.1Confident18 Ų1867 Ų6719%0.18638%0.375CS..  trans-64.2148.4175.800000112.1L19 I37L19-G39 CarbonylContact O-C 3.53Å; L19-G39 VanDerWaalsContact O-CA 3.31Å; L19-G39 WeakPolarHBondContact O-CA 3.42Å; I37-G39 PolarHBondContact O-N 3.35Å
40E96.8Very high85.2Confident35 Ų3567.8 Ų67.816%0.16438%0.378CS..  trans-67.9138.6173.4-174.660.9-159.600109.9L19 L26 I42 V61 Q62L19-E40 PolarHBondContact O-N 3.43Å; L26-E40 HydrophobicContact CD1-CB 4.17Å; L26-E40 HydrophobicContact CD1-CG 4.36Å; E40-I42 HydrophobicContact CB-CD1 4.09Å; E40-I42 HydrophobicContact CG-CD1 3.85Å; E40-I42 PolarHBondContact O-N 3.07Å; E40-V61 HydrophobicContact CG-CB 4.01Å; E40-V61 HydrophobicContact CG-CG1 3.92Å; E40-Q62 PolarHBondContact OE1-N 2.96Å
41E97.6Very high85.8Confident79 Ų7971.4 Ų71.437%0.36939%0.393SS..EExtended strand (participates in β ladder)trans-85.9103.5171.1-72.8-179.616700108.5R10 S43R10-E41 IonicContact CZ-OE1 2.65Å; R10-E41 IonicContact NE-OE1 3.13Å; R10-E41 IonicContact NH2-OE1 3.92Å; R10-E41 PolarHBondContact NH2-OE1 3.29Å; E41-S43 PolarHBondContact O-N 2.8Å
42I98.3Very high87Confident2 Ų266.9 Ų66.91%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-78117.9-177.3-52.4-60000108.3F9 M11 L26 E40 V44 L59 G60 V61F9-I42 PolarHBondContact N-O 2.82Å; F9-I42 PolarHBondContact O-N 2.76Å; M11-I42 HydrophobicContact CB-CG1 4.36Å; M11-I42 HydrophobicContact CG-CG1 4.02Å; M11-I42 HydrophobicContact SD-CB 4.39Å; M11-I42 HydrophobicContact SD-CG1 3.94Å; M11-I42 HydrophobicContact SD-CG2 4.17Å; L26-I42 HydrophobicContact CD1-CD1 4.35Å; L26-I42 HydrophobicContact CD2-CD1 4.4Å; E40-I42 HydrophobicContact CB-CD1 4.09Å; E40-I42 HydrophobicContact CG-CD1 3.85Å; E40-I42 PolarHBondContact O-N 3.07Å; I42-V44 HydrophobicContact CG2-CG2 3.99Å; I42-L59 HydrophobicContact CG2-CB 4.29Å; I42-L59 HydrophobicContact CG2-CD2 4.22Å; I42-G60 CarbonylContact C-O 3.52Å; I42-G60 WeakPolarHBondContact CA-O 3.43Å; I42-V61 HydrophobicContact CD1-CG1 4.01Å
43S98.5Very high88.3Confident12 Ų1267.3 Ų67.38%0.08439%0.394CS..EExtended strand (participates in β ladder)trans-77.9133.7171.5-640000109.6L7 E41 L59 G60 G63 G64 I85L7-S43 CarbonylContact O-C 3.45Å; L7-S43 WeakPolarHBondContact O-CA 3.26Å; E41-S43 PolarHBondContact O-N 2.8Å; S43-L59 CarbonylContact O-C 3.52Å; S43-G60 PolarHBondContact N-O 3.09Å; S43-G60 PolarHBondContact O-N 2.8Å; S43-G63 VanDerWaalsContact OG-C 3.3Å; S43-G64 PolarHBondContact OG-N 3.4Å; S43-G64 VanDerWaalsContact OG-N 3.09Å; S43-I85 VanDerWaalsContact C-CD1 3.49Å; S43-I85 WeakPolarHBondContact O-CD1 3.3Å
44V98.3Very high90.3Very high6 Ų665.7 Ų65.74%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-135.6132.1-173.2-175.40000110.4L7 F9 I42 V57 I58 L59 F151L7-V44 WeakPolarHBondContact CB-O 3.23Å; L7-V44 PolarHBondContact N-O 3.47Å; L7-V44 PolarHBondContact O-N 2.77Å; F9-V44 HydrophobicContact CB-CG2 4.11Å; F9-V44 HydrophobicContact CD2-CB 3.68Å; F9-V44 HydrophobicContact CD2-CG1 4.42Å; F9-V44 HydrophobicContact CD2-CG2 3.41Å; F9-V44 VanDerWaalsContact CD2-CG2 3.41Å; F9-V44 HydrophobicContact CE2-CB 3.92Å; F9-V44 HydrophobicContact CE2-CG1 4.33Å; F9-V44 HydrophobicContact CE2-CG2 4.13Å; F9-V44 HydrophobicContact CG-CG2 4.01Å; I42-V44 HydrophobicContact CG2-CG2 3.99Å; V44-V57 HydrophobicContact CG1-CB 4.22Å; V44-V57 HydrophobicContact CG1-CG1 4.32Å; V44-I58 WeakPolarHBondContact CA-O 3.47Å; V44-L59 HydrophobicContact CG1-CD2 4.34Å; V44-L59 HydrophobicContact CG2-CD2 3.93Å; V44-F151 HydrophobicContact CB-CZ 4.41Å; V44-F151 HydrophobicContact CG1-CZ 4.05Å; V44-F151 HydrophobicContact CG2-CE2 4.05Å; V44-F151 HydrophobicContact CG2-CZ 3.68Å
45V97.6Very high92.2Very high1 Ų164.4 Ų64.41%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-135.6146.6172-62.80000109.4L3 A6 V57 I58 I85 M86 Y89L3-V45 HydrophobicContact CD1-CG1 4.29Å; A6-V45 HydrophobicContact CB-CG1 3.79Å; V45-V57 WeakPolarHBondContact O-CA 3.02Å; V45-I58 HydrophobicContact CG2-CB 3.79Å; V45-I58 HydrophobicContact CG2-CD1 4.37Å; V45-I58 HydrophobicContact CG2-CG1 4.45Å; V45-I58 HydrophobicContact CG2-CG2 4.47Å; V45-I58 PolarHBondContact N-O 2.81Å; V45-I58 PolarHBondContact O-N 2.86Å; V45-I85 HydrophobicContact CB-CG1 4.48Å; V45-I85 HydrophobicContact CG1-CD1 4.2Å; V45-I85 HydrophobicContact CG1-CG1 4.15Å; V45-I85 HydrophobicContact CG2-CD1 3.92Å; V45-I85 HydrophobicContact CG2-CG1 3.58Å; V45-M86 HydrophobicContact CG1-SD 4.04Å; V45-Y89 HydrophobicContact CB-CD2 3.83Å; V45-Y89 HydrophobicContact CB-CG 4.1Å; V45-Y89 HydrophobicContact CG1-CD2 4.42Å; V45-Y89 HydrophobicContact CG1-CG 4.26Å; V45-Y89 HydrophobicContact CG2-CD2 4.25Å; V45-Y89 HydrophobicContact CG2-CG 4.4Å
46P96.9Very high93.5Very high56 Ų5657.3 Ų57.336%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-72.2143.4170.930.5-32.5000109.9R48 P56 Y89P46-R48 PolarHBondContact O-N 3.37Å; P46-P56 WeakPolarHBondContact CA-O 3.45Å; P46-Y89 HydrophobicContact CG-CE2 4.06Å; P46-Y89 WeakPolarHBondContact O-CD2 3.4Å
47N96.1Very high94.8Very high4 Ų451.3 Ų51.32%0.02128%0.279CS..  trans-82.3115.2167.7-174.8-34.7000109.5W49 P56 I58 E94 T99N47-W49 VanDerWaalsContact C-N 3.33Å; N47-W49 PolarHBondContact O-N 3.25Å; N47-W49 PolarHBondContact OD1-N 2.91Å; N47-P56 HydrophobicContact CB-CB 4.04Å; N47-P56 HydrophobicContact CB-CG 4.34Å; N47-P56 PolarHBondContact N-O 3.13Å; N47-P56 WeakPolarHBondContact O-CG 3.19Å; N47-I58 HydrophobicContact CB-CD1 4.4Å; N47-I58 HydrophobicContact CB-CG1 4.33Å; N47-E94 PolarHBondContact ND2-O 2.79Å; N47-T99 HydrophobicContact CB-CG2 3.81Å; N47-T99 PolarHBondContact ND2-OG1 3.26Å
48R93.5Very high95.6Very high115 Ų11549.6 Ų49.643%0.43427%0.27SS..THydrogen-bonded Turntrans-84.3-4.7-172.6-61.7-175.4-68.4143.21.8114.4P46 Y89P46-R48 PolarHBondContact O-N 3.37Å; R48-Y89 HydrophobicContact CG-CD2 4.42Å; R48-Y89 HydrophobicContact CG-CE2 3.82Å; R48-Y89 PolarHBondContact NE-O 3.47Å; R48-Y89 PolarHBondContact NH2-O 3.27Å
49W92.7Very high96.2Very high90 Ų9041.4 Ų41.434%0.34123%0.234SC..THydrogen-bonded Turntrans-101.1-12.5-178.3-64.1-89000113.2N47 L88 Y89 G91 E94N47-W49 VanDerWaalsContact C-N 3.33Å; N47-W49 PolarHBondContact O-N 3.25Å; N47-W49 PolarHBondContact OD1-N 2.91Å; W49-L88 VanDerWaalsContact CZ3-O 3.29Å; W49-L88 WeakPolarHBondContact CZ3-O 3.44Å; W49-Y89 WeakPolarHBondContact CH2-O 2.87Å; W49-Y89 WeakPolarHBondContact CZ3-O 3.45Å; W49-G91 WeakPolarHBondContact CH2-O 3.48Å; W49-G91 WeakPolarHBondContact CZ2-O 3.38Å; W49-G91 WeakPolarHBondContact CZ3-O 3.12Å; W49-E94 HydrophobicContact CB-CB 4.46Å
50L93.3Very high96.4Very high20 Ų2040.5 Ų40.511%0.10523%0.226CC..SBendtrans-96.9165175-67.4-174.2000111.5A52 P56 E94 T99 Y101 A114L50-A52 PolarHBondContact O-N 2.99Å; L50-A52 VanDerWaalsContact O-N 3.1Å; L50-P56 HydrophobicContact CB-CB 3.8Å; L50-P56 HydrophobicContact CB-CG 3.76Å; L50-P56 HydrophobicContact CD1-CB 3.97Å; L50-P56 HydrophobicContact CG-CB 4.48Å; L50-E94 HydrophobicContact CD2-CG 3.41Å; L50-E94 VanDerWaalsContact CD2-CG 3.41Å; L50-E94 WeakPolarHBondContact CD2-OE1 3.39Å; L50-E94 HydrophobicContact CG-CG 4.05Å; L50-T99 HydrophobicContact CD1-CG2 3.47Å; L50-T99 VanDerWaalsContact CD1-CG2 3.47Å; L50-Y101 HydrophobicContact CD1-CE1 3.99Å; L50-A114 HydrophobicContact CD1-CB 4Å
51D93.5Very high96.5Very high92 Ų9238.9 Ų38.949%0.49222%0.218SC..  trans-60112.7176.9-174.6-15.2000110.8S53 L54 P56D51-S53 PolarHBondContact O-N 3.48Å; D51-S53 VanDerWaalsContact OD1-CB 3.29Å; D51-S53 WeakPolarHBondContact OD1-CB 3.44Å; D51-S53 PolarHBondContact OD1-N 2.97Å; D51-S53 PolarHBondContact OD1-OG 2.74Å; D51-S53 PolarHBondContact OD2-OG 2.9Å; D51-S53 VanDerWaalsContact OD2-OG 3.13Å; D51-L54 HydrophobicContact CB-CD1 4.16Å; D51-L54 HydrophobicContact CB-CG 4.23Å; D51-L54 PolarHBondContact O-N 3.03Å; D51-L54 VanDerWaalsContact O-N 3.09Å; D51-P56 VanDerWaalsContact O-CD 3.31Å; D51-P56 WeakPolarHBondContact O-CD 3.04Å
52A93.7Very high96.5Very high81 Ų8139.6 Ų39.667%0.66922%0.221SC*.G310 helixtrans-62.4-23.6-178.300000113.2L50 L54 S55L50-A52 PolarHBondContact O-N 2.99Å; L50-A52 VanDerWaalsContact O-N 3.1Å; A52-L54 PolarHBondContact O-N 2.86Å; A52-S55 PolarHBondContact O-N 2.85Å; A52-S55 VanDerWaalsContact O-N 3.1Å
53S94.4Very high96.4Very high91 Ų9142.7 Ų42.764%0.63625%0.254SS*.G310 helixtrans-65.9-22.6176.871.70000112.8D51 S55D51-S53 PolarHBondContact O-N 3.48Å; D51-S53 VanDerWaalsContact OD1-CB 3.29Å; D51-S53 WeakPolarHBondContact OD1-CB 3.44Å; D51-S53 PolarHBondContact OD1-N 2.97Å; D51-S53 PolarHBondContact OD1-OG 2.74Å; D51-S53 PolarHBondContact OD2-OG 2.9Å; D51-S53 VanDerWaalsContact OD2-OG 3.13Å; S53-S55 VanDerWaalsContact C-N 3.3Å
54L95.8Very high96.3Very high81 Ų8142.1 Ų42.142%0.42425%0.25SS..G310 helixtrans-88.53.7176.5-56.6179.1000113D51 A52 Y101D51-L54 HydrophobicContact CB-CD1 4.16Å; D51-L54 HydrophobicContact CB-CG 4.23Å; D51-L54 PolarHBondContact O-N 3.03Å; D51-L54 VanDerWaalsContact O-N 3.09Å; A52-L54 PolarHBondContact O-N 2.86Å; L54-Y101 HydrophobicContact CB-CD1 3.45Å; L54-Y101 VanDerWaalsContact CB-CD1 3.45Å; L54-Y101 HydrophobicContact CB-CE1 3.66Å; L54-Y101 HydrophobicContact CB-CG 4.13Å; L54-Y101 HydrophobicContact CD1-CD1 4.33Å; L54-Y101 HydrophobicContact CD1-CE1 3.84Å; L54-Y101 HydrophobicContact CD1-CE2 4.4Å; L54-Y101 HydrophobicContact CG-CE1 4.42Å; L54-Y101 WeakPolarHBondContact O-CB 3.46Å; L54-Y101 WeakPolarHBondContact O-CD1 3.2Å
55S97.1Very high96.3Very high62 Ų6244.5 Ų44.543%0.43427%0.267SS..  trans49.458.5-178.9-59.80000113.9A52 S53 V57 R102A52-S55 PolarHBondContact O-N 2.85Å; A52-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 VanDerWaalsContact C-N 3.3Å; S55-V57 PolarHBondContact O-N 3.26Å; S55-R102 WeakPolarHBondContact CB-O 3.37Å; S55-R102 PolarHBondContact O-N 2.89Å
56P97.7Very high96.3Very high7 Ų745.7 Ų45.75%0.04527%0.272CS..EExtended strand (participates in β ladder)trans-75.7126.6-177.233.2-36.6000111.3P46 N47 L50 D51 T99 F100 Y101P46-P56 WeakPolarHBondContact CA-O 3.45Å; N47-P56 HydrophobicContact CB-CB 4.04Å; N47-P56 HydrophobicContact CB-CG 4.34Å; N47-P56 PolarHBondContact N-O 3.13Å; N47-P56 WeakPolarHBondContact O-CG 3.19Å; L50-P56 HydrophobicContact CB-CB 3.8Å; L50-P56 HydrophobicContact CB-CG 3.76Å; L50-P56 HydrophobicContact CD1-CB 3.97Å; L50-P56 HydrophobicContact CG-CB 4.48Å; D51-P56 VanDerWaalsContact O-CD 3.31Å; D51-P56 WeakPolarHBondContact O-CD 3.04Å; P56-T99 HydrophobicContact CB-CG2 3.74Å; P56-F100 CarbonylContact C-O 3.36Å; P56-F100 WeakPolarHBondContact CA-O 3.29Å; P56-Y101 HydrophobicContact CB-CD1 3.87Å; P56-Y101 HydrophobicContact CB-CE1 3.85Å
57V98.3Very high96.4Very high17 Ų1743 Ų4310%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-129.5147.4-178.1-62.60000111.8V44 V45 S55 L59 T99 F100 R102 F111V44-V57 HydrophobicContact CG1-CB 4.22Å; V44-V57 HydrophobicContact CG1-CG1 4.32Å; V45-V57 WeakPolarHBondContact O-CA 3.02Å; S55-V57 PolarHBondContact O-N 3.26Å; V57-L59 HydrophobicContact CG2-CD2 4.16Å; V57-T99 WeakPolarHBondContact O-CA 3.47Å; V57-F100 HydrophobicContact CG2-CB 4.38Å; V57-F100 WeakPolarHBondContact CG2-O 3.36Å; V57-F100 PolarHBondContact N-O 3.24Å; V57-F100 PolarHBondContact O-N 2.95Å; V57-R102 HydrophobicContact CG2-CB 4.27Å; V57-F111 HydrophobicContact CG2-CD1 4.11Å; V57-F111 HydrophobicContact CG2-CE1 4.07Å
58I98.3Very high96.4Very high0 Ų043.1 Ų43.10%026%0.255CS..EExtended strand (participates in β ladder)trans-107135.9169.1-59.2173.4000107.2V44 V45 N47 C67 I85 L88 F98V44-I58 WeakPolarHBondContact CA-O 3.47Å; V45-I58 HydrophobicContact CG2-CB 3.79Å; V45-I58 HydrophobicContact CG2-CD1 4.37Å; V45-I58 HydrophobicContact CG2-CG1 4.45Å; V45-I58 HydrophobicContact CG2-CG2 4.47Å; V45-I58 PolarHBondContact N-O 2.81Å; V45-I58 PolarHBondContact O-N 2.86Å; N47-I58 HydrophobicContact CB-CD1 4.4Å; N47-I58 HydrophobicContact CB-CG1 4.33Å; I58-C67 HydrophobicContact CG2-CB 4.5Å; I58-I85 HydrophobicContact CG2-CD1 4.38Å; I58-I85 HydrophobicContact CG2-CG1 4Å; I58-L88 HydrophobicContact CD1-CB 3.77Å; I58-L88 HydrophobicContact CD1-CD1 4.42Å; I58-L88 HydrophobicContact CG2-CD1 3.86Å; I58-F98 HydrophobicContact CG2-CB 4.33Å
59L98.6Very high96.6Very high0 Ų037.9 Ų37.90%024%0.236CC..EExtended strand (participates in β ladder)trans-113.6130.2-176.6-56.1178000109.3I42 S43 V44 V57 C67 L68 F100 F111 F151I42-L59 HydrophobicContact CG2-CB 4.29Å; I42-L59 HydrophobicContact CG2-CD2 4.22Å; S43-L59 CarbonylContact O-C 3.52Å; V44-L59 HydrophobicContact CG1-CD2 4.34Å; V44-L59 HydrophobicContact CG2-CD2 3.93Å; V57-L59 HydrophobicContact CG2-CD2 4.16Å; L59-C67 WeakPolarHBondContact O-CA 3.46Å; L59-L68 HydrophobicContact CB-CB 4.42Å; L59-L68 HydrophobicContact CB-CD1 3.92Å; L59-L68 HydrophobicContact CD1-CD1 4.13Å; L59-L68 PolarHBondContact O-N 3.3Å; L59-F100 HydrophobicContact CD1-CD2 4.08Å; L59-F100 HydrophobicContact CD1-CE2 4.46Å; L59-F100 HydrophobicContact CG-CD2 4.28Å; L59-F111 HydrophobicContact CD1-CD1 4.25Å; L59-F111 HydrophobicContact CD2-CE1 4.48Å; L59-F151 HydrophobicContact CD2-CE2 4.47Å
60G98.2Very high96.7Very high0 Ų033.6 Ų33.60%022%0.22CC..EExtended strand (participates in β ladder)trans-131.1162.5177.800000112.9I42 S43 Q66I42-G60 CarbonylContact C-O 3.52Å; I42-G60 WeakPolarHBondContact CA-O 3.43Å; S43-G60 PolarHBondContact N-O 3.09Å; S43-G60 PolarHBondContact O-N 2.8Å; G60-Q66 CarbonylContact C-O 3.45Å; G60-Q66 WeakPolarHBondContact CA-O 3.17Å
61V98.1Very high96.4Very high0 Ų033.6 Ų33.60%023%0.225CC..EExtended strand (participates in β ladder)trans-126.6171.5179.2-59.30000109.6L21 L26 E40 I42 G63 G64 S65 Q66 L80L21-V61 HydrophobicContact CD1-CG2 4.31Å; L26-V61 HydrophobicContact CD1-CG1 4.29Å; E40-V61 HydrophobicContact CG-CB 4.01Å; E40-V61 HydrophobicContact CG-CG1 3.92Å; I42-V61 HydrophobicContact CD1-CG1 4.01Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.31Å; V61-G64 WeakPolarHBondContact O-CA 3.42Å; V61-G64 PolarHBondContact O-N 3.39Å; V61-S65 PolarHBondContact O-N 2.74Å; V61-Q66 HydrophobicContact CG2-CB 3.87Å; V61-Q66 PolarHBondContact N-O 2.65Å; V61-Q66 PolarHBondContact O-N 2.88Å; V61-L80 HydrophobicContact CG1-CD2 4.19Å; V61-L80 HydrophobicContact CG2-CD1 4.03Å; V61-L80 HydrophobicContact CG2-CD2 3.58Å; V61-L80 HydrophobicContact CG2-CG 4.45Å
62Q97.1Very high95.6Very high94 Ų9434.2 Ų34.244%0.43924%0.243SC..G310 helixtrans5350.1178.2-60.3-177.5-43.700111.8L21 E40 G64 S65 Q66L21-Q62 HydrophobicContact CD2-CG 3.41Å; L21-Q62 VanDerWaalsContact CD2-CG 3.41Å; L21-Q62 VanDerWaalsContact CD2-NE2 3.33Å; E40-Q62 PolarHBondContact OE1-N 2.96Å; Q62-G64 PolarHBondContact O-N 3.34Å; Q62-S65 VanDerWaalsContact CB-OG 3.27Å; Q62-S65 WeakPolarHBondContact CB-OG 3.45Å; Q62-S65 PolarHBondContact O-N 2.82Å; Q62-S65 PolarHBondContact O-OG 3.34Å; Q62-Q66 VanDerWaalsContact OE1-CD 3.28Å
63G96.3Very high94.8Very high68 Ų6832.5 Ų32.570%0.70123%0.233SC*.G310 helixtrans65.522.5-175.600000114.1S43 V61S43-G63 VanDerWaalsContact OG-C 3.3Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.31Å
64G97.4Very high93.9Very high0 Ų037.8 Ų37.80%025%0.248CC..G310 helixtrans83.216.4179.900000113.9S43 V61 Q62 Q66 N84 I85S43-G64 PolarHBondContact OG-N 3.4Å; S43-G64 VanDerWaalsContact OG-N 3.09Å; V61-G64 WeakPolarHBondContact O-CA 3.42Å; V61-G64 PolarHBondContact O-N 3.39Å; Q62-G64 PolarHBondContact O-N 3.34Å; G64-Q66 VanDerWaalsContact C-N 3.32Å; G64-N84 CarbonylContact O-C 3.51Å; G64-N84 VanDerWaalsContact O-CA 3.29Å; G64-N84 WeakPolarHBondContact O-CA 3.39Å; G64-I85 PolarHBondContact O-N 2.77Å
65S97.7Very high93.3Very high55 Ų5541 Ų4139%0.38526%0.261SS..THydrogen-bonded Turntrans-76.3-20.9174.856.70000113.4V61 Q62 V83V61-S65 PolarHBondContact O-N 2.74Å; Q62-S65 VanDerWaalsContact CB-OG 3.27Å; Q62-S65 WeakPolarHBondContact CB-OG 3.45Å; Q62-S65 PolarHBondContact O-N 2.82Å; Q62-S65 PolarHBondContact O-OG 3.34Å; S65-V83 CarbonylContact O-C 3.57Å
66Q98.1Very high92.9Very high27 Ų2738.7 Ų38.713%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-128.9147.5172.4-57.3-174.5-24.600110.1N24 G60 V61 Q62 G64 E81N24-Q66 PolarHBondContact OD1-NE2 3.49Å; N24-Q66 PolarHBondContact OD1-OE1 3.2Å; N24-Q66 VanDerWaalsContact OD1-OE1 3.1Å; G60-Q66 CarbonylContact C-O 3.45Å; G60-Q66 WeakPolarHBondContact CA-O 3.17Å; V61-Q66 HydrophobicContact CG2-CB 3.87Å; V61-Q66 PolarHBondContact N-O 2.65Å; V61-Q66 PolarHBondContact O-N 2.88Å; Q62-Q66 VanDerWaalsContact OE1-CD 3.28Å; G64-Q66 VanDerWaalsContact C-N 3.32Å; Q66-E81 CarbonylContact C-O 3.55Å; Q66-E81 WeakPolarHBondContact CA-O 3.43Å; Q66-E81 WeakPolarHBondContact CB-O 3.37Å
67C98.1Very high92.6Very high0 Ų042.3 Ų42.30%027%0.266CS..EExtended strand (participates in β ladder)trans-123.1145.4-178.8-66.20000112.1I58 L59 E81 V83 I85 L88 F98I58-C67 HydrophobicContact CG2-CB 4.5Å; L59-C67 WeakPolarHBondContact O-CA 3.46Å; C67-E81 PolarHBondContact N-O 2.88Å; C67-E81 PolarHBondContact O-N 3.43Å; C67-V83 PolarHBondContact SG-O 2.83Å; C67-I85 WeakPolarHBondContact SG-CA 3.23Å; C67-L88 HydrophobicContact CB-CD1 3.88Å; C67-F98 HydrophobicContact CB-CD1 3.84Å; C67-F98 HydrophobicContact CB-CE1 4.21Å
68L97.8Very high92.4Very high5 Ų543.1 Ų43.13%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-70.1130.3171.7-73.5173.3000110.1L26 L59 L78 T79 L80 F98 F100L26-L68 HydrophobicContact CD2-CD1 4.28Å; L59-L68 HydrophobicContact CB-CB 4.42Å; L59-L68 HydrophobicContact CB-CD1 3.92Å; L59-L68 HydrophobicContact CD1-CD1 4.13Å; L59-L68 PolarHBondContact O-N 3.3Å; L68-L78 HydrophobicContact CB-CD1 4.47Å; L68-L78 HydrophobicContact CD2-CD1 4.23Å; L68-L78 HydrophobicContact CD2-CD2 4.2Å; L68-L78 HydrophobicContact CD2-CG 4.12Å; L68-T79 WeakPolarHBondContact CA-O 3.11Å; L68-L80 HydrophobicContact CD2-CD2 3.6Å; L68-L80 HydrophobicContact CD2-CG 4.07Å; L68-L80 HydrophobicContact CG-CD2 4Å; L68-F98 WeakPolarHBondContact O-CA 3.25Å; L68-F98 WeakPolarHBondContact O-CD1 3Å; L68-F100 HydrophobicContact CB-CE2 4.02Å; L68-F100 HydrophobicContact CB-CZ 4.41Å
69S96.9Very high92.3Very high5 Ų545.2 Ų45.24%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-128.1141.9177.3-176.20000110G71 L78 T79 S97S69-G71 VanDerWaalsContact C-N 3.28Å; S69-G71 PolarHBondContact OG-N 2.78Å; S69-L78 CarbonylContact O-C 3.57Å; S69-L78 WeakPolarHBondContact O-CA 3.35Å; S69-T79 PolarHBondContact N-O 2.84Å; S69-T79 PolarHBondContact O-N 2.89Å; S69-S97 CarbonylContact C-O 3.47Å; S69-S97 WeakPolarHBondContact CA-O 3.36Å
70C93.9Very high92.2Very high0 Ų046 Ų460%029%0.287CS..  trans-88.83.6172.2-58.60000112.8T77 S97 F100 S113 H116 L133C70-T77 CarbonylContact C-O 3.57Å; C70-T77 WeakPolarHBondContact CA-O 3.45Å; C70-T77 PolarHBondContact O-N 2.78Å; C70-S97 PolarHBondContact N-O 3.21Å; C70-F100 VanDerWaalsContact SG-CE1 3.53Å; C70-F100 WeakPolarHBondContact SG-CZ 3.38Å; C70-S113 PolarHBondContact SG-OG 3.19Å; C70-H116 PolarHBondContact O-NE2 2.88Å; C70-L133 HydrophobicContact CB-CD1 3.85Å
71G87.1Confident92.2Very high21 Ų2149.3 Ų49.322%0.21630%0.302CS..  trans67.9172-172.900000113.5S69 T77 H116S69-G71 VanDerWaalsContact C-N 3.28Å; S69-G71 PolarHBondContact OG-N 2.78Å; G71-T77 PolarHBondContact N-O 2.8Å; G71-H116 PolarHBondContact O-NE2 2.97Å
72A76.5Confident92.1Very high104 Ų10454.3 Ų54.386%0.8634%0.335SS*.SBendtrans-110.27.7176.800000113
73G76.8Confident92.1Very high45 Ų4551.8 Ų51.846%0.46433%0.326SS..SBendtrans-73.6173.4178.900000112.9E75 H116G73-E75 VanDerWaalsContact C-N 3.33Å; G73-H116 PolarHBondContact O-CE1 2.83Å; G73-H116 VanDerWaalsContact O-CE1 3.28Å
74Q76.9Confident92.1Very high202 Ų20251.2 Ų51.294%0.94431%0.307SS*.SBendtrans-69.5-32.2177-171.5173.67.500112.4
75E81.8Confident92.1Very high150 Ų15051.3 Ų51.370%0.70131%0.307SS*.SBendtrans-103.8125.8172.5-168.2171.1-17200109.2G73 T77G73-E75 VanDerWaalsContact C-N 3.33Å; E75-T77 PolarHBondContact O-N 2.98Å
76P89.8Confident92.1Very high12 Ų1250.4 Ų50.48%0.07830%0.297CS..  trans-70.6123.3-177.525.5-29.8000110.5H116 W119 L133P76-H116 HydrophobicContact CB-CB 4.1Å; P76-H116 HydrophobicContact CG-CB 4.38Å; P76-W119 HydrophobicContact CB-CD2 4.4Å; P76-W119 HydrophobicContact CG-CD2 3.25Å; P76-W119 HydrophobicContact CG-CE3 3.51Å; P76-W119 HydrophobicContact CG-CG 3.73Å; P76-W119 HydrophobicContact CG-CH2 3.82Å; P76-W119 HydrophobicContact CG-CZ2 3.62Å; P76-W119 HydrophobicContact CG-CZ3 3.78Å; P76-L133 HydrophobicContact CB-CD1 3.76Å
77T90.5Very high92Very high83 Ų8355.2 Ų55.251%0.50932%0.32SS..  trans-117.7125.6175.1-56.30000108.6C70 G71 E75 T79C70-T77 CarbonylContact C-O 3.57Å; C70-T77 WeakPolarHBondContact CA-O 3.45Å; C70-T77 PolarHBondContact O-N 2.78Å; G71-T77 PolarHBondContact N-O 2.8Å; E75-T77 PolarHBondContact O-N 2.98Å; T77-T79 HydrophobicContact CG2-CG2 4Å; T77-T79 PolarHBondContact O-N 2.94Å
78L95.4Very high91.9Very high34 Ų3456 Ų5618%0.17832%0.323CS..  trans-78.6119.1174.8-166.273.1000110L68 S69 F100 L121 V131 L133L68-L78 HydrophobicContact CB-CD1 4.47Å; L68-L78 HydrophobicContact CD2-CD1 4.23Å; L68-L78 HydrophobicContact CD2-CD2 4.2Å; L68-L78 HydrophobicContact CD2-CG 4.12Å; S69-L78 CarbonylContact O-C 3.57Å; S69-L78 WeakPolarHBondContact O-CA 3.35Å; L78-F100 HydrophobicContact CD1-CE1 4.42Å; L78-F100 HydrophobicContact CD1-CZ 3.79Å; L78-L121 HydrophobicContact CD1-CD1 4.03Å; L78-L121 HydrophobicContact CD2-CD1 3.57Å; L78-L121 HydrophobicContact CG-CD1 4.49Å; L78-V131 HydrophobicContact CD2-CB 4.21Å; L78-V131 HydrophobicContact CD2-CG1 3.86Å; L78-V131 WeakPolarHBondContact CD2-O 3.27Å; L78-L133 HydrophobicContact CB-CD1 4.3Å; L78-L133 HydrophobicContact CB-CG 4.19Å; L78-L133 HydrophobicContact CD1-CD1 4.42Å; L78-L133 HydrophobicContact CD1-CD2 4.47Å; L78-L133 HydrophobicContact CD1-CG 4.34Å
79T95.6Very high91.8Very high45 Ų4555.9 Ų55.928%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-128.9156.4177.9590000111.4L68 S69 T77 E81L68-T79 WeakPolarHBondContact CA-O 3.11Å; S69-T79 PolarHBondContact N-O 2.84Å; S69-T79 PolarHBondContact O-N 2.89Å; T77-T79 HydrophobicContact CG2-CG2 4Å; T77-T79 PolarHBondContact O-N 2.94Å; T79-E81 WeakPolarHBondContact CB-OE1 3.49Å; T79-E81 PolarHBondContact OG1-OE1 2.79Å
80L97.2Very high91.6Very high17 Ų1760.3 Ų60.39%0.08935%0.346CS..EExtended strand (participates in β ladder)trans-98.7112.4165.7-79.2172.1000108.4L21 V61 L68L21-L80 HydrophobicContact CD1-CD1 3.5Å; V61-L80 HydrophobicContact CG1-CD2 4.19Å; V61-L80 HydrophobicContact CG2-CD1 4.03Å; V61-L80 HydrophobicContact CG2-CD2 3.58Å; V61-L80 HydrophobicContact CG2-CG 4.45Å; L68-L80 HydrophobicContact CD2-CD2 3.6Å; L68-L80 HydrophobicContact CD2-CG 4.07Å; L68-L80 HydrophobicContact CG-CD2 4Å
81E96.6Very high91.4Very high68 Ų6861.8 Ų61.832%0.31836%0.361SS..EExtended strand (participates in β ladder)trans-97.3141.6179-58.1-62.9153.100110.4Q66 C67 T79 V83 F98Q66-E81 CarbonylContact C-O 3.55Å; Q66-E81 WeakPolarHBondContact CA-O 3.43Å; Q66-E81 WeakPolarHBondContact CB-O 3.37Å; C67-E81 PolarHBondContact N-O 2.88Å; C67-E81 PolarHBondContact O-N 3.43Å; T79-E81 WeakPolarHBondContact CB-OE1 3.49Å; T79-E81 PolarHBondContact OG1-OE1 2.79Å; E81-V83 HydrophobicContact CB-CG2 4.27Å; E81-V83 PolarHBondContact O-N 3.35Å; E81-F98 HydrophobicContact CB-CE1 3.8Å; E81-F98 HydrophobicContact CB-CZ 4.14Å; E81-F98 HydrophobicContact CG-CE1 3.81Å; E81-F98 HydrophobicContact CG-CZ 4.02Å
82P96.8Very high91.2Very high105 Ų10565.3 Ų65.368%0.68239%0.388SS*.SBendtrans-76.761179.234.5-37000111.6
83V96.3Very high91.5Very high41 Ų4168.1 Ų68.125%0.24838%0.38CS..  trans-123.8132.7178.2-177.40000108.9S65 C67 E81 L88 F98S65-V83 CarbonylContact O-C 3.57Å; C67-V83 PolarHBondContact SG-O 2.83Å; E81-V83 HydrophobicContact CB-CG2 4.27Å; E81-V83 PolarHBondContact O-N 3.35Å; V83-L88 HydrophobicContact CG1-CD1 4.29Å; V83-L88 HydrophobicContact CG1-CD2 3.86Å; V83-L88 HydrophobicContact CG1-CG 3.87Å; V83-F98 HydrophobicContact CG2-CZ 4.45Å
84N97.5Very high91.8Very high57 Ų5769.9 Ų69.931%0.30538%0.377SS..  trans-72.5134.5-179.6-170.8-71000111.4G64 M86 E87 L88G64-N84 CarbonylContact O-C 3.51Å; G64-N84 VanDerWaalsContact O-CA 3.29Å; G64-N84 WeakPolarHBondContact O-CA 3.39Å; N84-M86 VanDerWaalsContact C-N 3.26Å; N84-M86 PolarHBondContact O-N 3.12Å; N84-M86 WeakPolarHBondContact OD1-CB 3.08Å; N84-M86 PolarHBondContact OD1-N 3.23Å; N84-E87 HydrophobicContact CB-CB 4.34Å; N84-E87 HydrophobicContact CB-CG 3.91Å; N84-E87 WeakPolarHBondContact O-CB 3.48Å; N84-E87 PolarHBondContact O-N 3.09Å; N84-L88 PolarHBondContact O-N 3.21Å
85I97.9Very high92.5Very high2 Ų261.3 Ų61.31%0.0134%0.339CS..Hα-helixtrans-61.7-33.4-177.7-163.2170.8000112.9A6 S43 V45 I58 G64 C67 L88 Y89A6-I85 HydrophobicContact CB-CD1 4.34Å; A6-I85 HydrophobicContact CB-CG2 3.8Å; S43-I85 VanDerWaalsContact C-CD1 3.49Å; S43-I85 WeakPolarHBondContact O-CD1 3.3Å; V45-I85 HydrophobicContact CB-CG1 4.48Å; V45-I85 HydrophobicContact CG1-CD1 4.2Å; V45-I85 HydrophobicContact CG1-CG1 4.15Å; V45-I85 HydrophobicContact CG2-CD1 3.92Å; V45-I85 HydrophobicContact CG2-CG1 3.58Å; I58-I85 HydrophobicContact CG2-CD1 4.38Å; I58-I85 HydrophobicContact CG2-CG1 4Å; G64-I85 PolarHBondContact O-N 2.77Å; C67-I85 WeakPolarHBondContact SG-CA 3.23Å; I85-L88 PolarHBondContact O-N 2.81Å; I85-Y89 WeakPolarHBondContact O-CB 3.21Å; I85-Y89 PolarHBondContact O-N 3.47Å
86M96.7Very high93.1Very high35 Ų3558.3 Ų58.317%0.17232%0.324CS..Hα-helixtrans-75.2-27.2178.1-65.1-57.6-66.700111.9L3 A6 V45 N84 Y89 L90L3-M86 WeakPolarHBondContact O-CE 3.49Å; A6-M86 HydrophobicContact CB-SD 4.4Å; V45-M86 HydrophobicContact CG1-SD 4.04Å; N84-M86 VanDerWaalsContact C-N 3.26Å; N84-M86 PolarHBondContact O-N 3.12Å; N84-M86 WeakPolarHBondContact OD1-CB 3.08Å; N84-M86 PolarHBondContact OD1-N 3.23Å; M86-Y89 HydrophobicContact CE-CD1 3.66Å; M86-Y89 HydrophobicContact CE-CE1 4.22Å; M86-Y89 PolarHBondContact O-N 3.4Å; M86-Y89 HydrophobicContact SD-CD1 4.25Å; M86-L90 VanDerWaalsContact O-CB 3.26Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 VanDerWaalsContact O-CG 3.23Å; M86-L90 WeakPolarHBondContact O-CG 3.33Å; M86-L90 PolarHBondContact O-N 2.84Å
87E95.5Very high93.4Very high129 Ų12959.2 Ų59.260%0.60333%0.33SS*.Hα-helixtrans-64.9-42.6170.3-68.9172.6-159.200110.7N84 G91N84-E87 HydrophobicContact CB-CB 4.34Å; N84-E87 HydrophobicContact CB-CG 3.91Å; N84-E87 WeakPolarHBondContact O-CB 3.48Å; N84-E87 PolarHBondContact O-N 3.09Å; E87-G91 WeakPolarHBondContact O-CA 3.44Å; E87-G91 PolarHBondContact O-N 3.49Å
88L95.8Very high93.7Very high15 Ų1556.6 Ų56.68%0.07931%0.312CS..Hα-helixtrans-66.7-39.1174.4-61.7177.2000112.1W49 I58 C67 V83 N84 I85 F98W49-L88 VanDerWaalsContact CZ3-O 3.29Å; W49-L88 WeakPolarHBondContact CZ3-O 3.44Å; I58-L88 HydrophobicContact CD1-CB 3.77Å; I58-L88 HydrophobicContact CD1-CD1 4.42Å; I58-L88 HydrophobicContact CG2-CD1 3.86Å; C67-L88 HydrophobicContact CB-CD1 3.88Å; V83-L88 HydrophobicContact CG1-CD1 4.29Å; V83-L88 HydrophobicContact CG1-CD2 3.86Å; V83-L88 HydrophobicContact CG1-CG 3.87Å; N84-L88 PolarHBondContact O-N 3.21Å; I85-L88 PolarHBondContact O-N 2.81Å; L88-F98 HydrophobicContact CD1-CB 3.87Å; L88-F98 HydrophobicContact CD1-CD1 3.81Å; L88-F98 HydrophobicContact CD1-CD2 4.21Å; L88-F98 HydrophobicContact CD1-CE1 4.39Å; L88-F98 HydrophobicContact CD1-CG 3.7Å; L88-F98 HydrophobicContact CD2-CD2 4.18Å; L88-F98 HydrophobicContact CD2-CE2 4.43Å; L88-F98 HydrophobicContact CD2-CG 4.49Å
89Y95.6Very high93.8Very high4 Ų455 Ų552%0.01630%0.303CS..Hα-helixtrans-69.2-34.1179176.6-113.9000114.2V2 L3 V45 P46 R48 W49 I85 M86V2-Y89 WeakPolarHBondContact CA-OH 3.49Å; V2-Y89 HydrophobicContact CG1-CE1 3.69Å; L3-Y89 HydrophobicContact CB-CE1 3.88Å; L3-Y89 HydrophobicContact CD1-CE2 4.43Å; L3-Y89 HydrophobicContact CG-CE1 4.4Å; L3-Y89 PolarHBondContact N-OH 3.05Å; V45-Y89 HydrophobicContact CB-CD2 3.83Å; V45-Y89 HydrophobicContact CB-CG 4.1Å; V45-Y89 HydrophobicContact CG1-CD2 4.42Å; V45-Y89 HydrophobicContact CG1-CG 4.26Å; V45-Y89 HydrophobicContact CG2-CD2 4.25Å; V45-Y89 HydrophobicContact CG2-CG 4.4Å; P46-Y89 HydrophobicContact CG-CE2 4.06Å; P46-Y89 WeakPolarHBondContact O-CD2 3.4Å; R48-Y89 HydrophobicContact CG-CD2 4.42Å; R48-Y89 HydrophobicContact CG-CE2 3.82Å; R48-Y89 PolarHBondContact NE-O 3.47Å; R48-Y89 PolarHBondContact NH2-O 3.27Å; W49-Y89 WeakPolarHBondContact CH2-O 2.87Å; W49-Y89 WeakPolarHBondContact CZ3-O 3.45Å; I85-Y89 WeakPolarHBondContact O-CB 3.21Å; I85-Y89 PolarHBondContact O-N 3.47Å; M86-Y89 HydrophobicContact CE-CD1 3.66Å; M86-Y89 HydrophobicContact CE-CE1 4.22Å; M86-Y89 PolarHBondContact O-N 3.4Å; M86-Y89 HydrophobicContact SD-CD1 4.25Å
90L93.9Very high94Very high98 Ų9852.8 Ų52.851%0.51329%0.29SS..Hα-helixtrans-95-28.9-177.1-65173.5000112.6V2 M86V2-L90 HydrophobicContact CG1-CD2 3.72Å; M86-L90 VanDerWaalsContact O-CB 3.26Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 VanDerWaalsContact O-CG 3.23Å; M86-L90 WeakPolarHBondContact O-CG 3.33Å; M86-L90 PolarHBondContact O-N 2.84Å
91G89.7Confident94Very high31 Ų3153.9 Ų53.932%0.3229%0.293SS..SBendtrans-72.4141.8-17400000113.4W49 E87 K93W49-G91 WeakPolarHBondContact CH2-O 3.48Å; W49-G91 WeakPolarHBondContact CZ2-O 3.38Å; W49-G91 WeakPolarHBondContact CZ3-O 3.12Å; E87-G91 WeakPolarHBondContact O-CA 3.44Å; E87-G91 PolarHBondContact O-N 3.49Å; G91-K93 PolarHBondContact O-N 3.1Å
92A81.9Confident94.1Very high94 Ų9453.8 Ų53.878%0.77729%0.29SS*.SBendtrans-70.716.5-171.200000116.8
93K84.1Confident94Very high163 Ų16355 Ų5571%0.70928%0.281SS*.SBendtrans-105.8143.2-176.8-68.4-177.1179.3177.80110.8G91 S95G91-K93 PolarHBondContact O-N 3.1Å; K93-S95 PolarHBondContact O-N 2.86Å; K93-S95 VanDerWaalsContact O-N 3.08Å; K93-S95 PolarHBondContact O-OG 2.96Å; K93-S95 VanDerWaalsContact O-OG 3.06Å
94E81.9Confident93.9Very high82 Ų8257.7 Ų57.738%0.38329%0.294SS..  trans-57.2-25.1177.1-170.2-175.716100113N47 W49 L50 K96N47-E94 PolarHBondContact ND2-O 2.79Å; W49-E94 HydrophobicContact CB-CB 4.46Å; L50-E94 HydrophobicContact CD2-CG 3.41Å; L50-E94 VanDerWaalsContact CD2-CG 3.41Å; L50-E94 WeakPolarHBondContact CD2-OE1 3.39Å; L50-E94 HydrophobicContact CG-CG 4.05Å; E94-K96 HydrophobicContact CG-CB 4.24Å; E94-K96 PolarHBondContact O-N 3Å; E94-K96 WeakPolarHBondContact OE1-CD 3.43Å; E94-K96 WeakPolarHBondContact OE1-CE 3.4Å; E94-K96 IonicContact OE1-NZ 2.91Å; E94-K96 PolarHBondContact OE1-NZ 3.27Å
95S93.1Very high93.6Very high23 Ų2359.5 Ų59.516%0.16130%0.302CS..  trans49.736.1175.1-53.90000113.5K93 S97 F98 T99K93-S95 PolarHBondContact O-N 2.86Å; K93-S95 VanDerWaalsContact O-N 3.08Å; K93-S95 PolarHBondContact O-OG 2.96Å; K93-S95 VanDerWaalsContact O-OG 3.06Å; S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 3.1Å; S95-F98 WeakPolarHBondContact O-CB 3.43Å; S95-F98 PolarHBondContact O-N 2.9Å; S95-T99 PolarHBondContact O-OG1 3.41Å
96K93.7Very high93.3Very high86 Ų8662.3 Ų62.337%0.37433%0.332SS..G310 helixtrans-59.8-36.4-168.6-161.8-178.5-158.1125.60113.5E94 F98 T99 A114 A115E94-K96 HydrophobicContact CG-CB 4.24Å; E94-K96 PolarHBondContact O-N 3Å; E94-K96 WeakPolarHBondContact OE1-CD 3.43Å; E94-K96 WeakPolarHBondContact OE1-CE 3.4Å; E94-K96 IonicContact OE1-NZ 2.91Å; E94-K96 PolarHBondContact OE1-NZ 3.27Å; K96-F98 PolarHBondContact O-N 2.98Å; K96-T99 PolarHBondContact O-N 2.85Å; K96-T99 VanDerWaalsContact O-N 3.13Å; K96-A114 WeakPolarHBondContact CE-O 3.36Å; K96-A114 HydrophobicContact CG-CB 3.99Å; K96-A115 HydrophobicContact CG-CB 4.38Å
97S95.7Very high93.2Very high31 Ų3167.6 Ų67.622%0.21736%0.36CS..G310 helixtrans-63.7-22.4176.157.90000113.7S69 C70 S95S69-S97 CarbonylContact C-O 3.47Å; S69-S97 WeakPolarHBondContact CA-O 3.36Å; C70-S97 PolarHBondContact N-O 3.21Å; S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 3.1Å
98F97.4Very high93.3Very high28 Ų2862.4 Ų62.412%0.12334%0.337CS..G310 helixtrans-95.92.7178.2-66.1-84.8000113.4I58 C67 L68 E81 V83 L88 S95 K96I58-F98 HydrophobicContact CG2-CB 4.33Å; C67-F98 HydrophobicContact CB-CD1 3.84Å; C67-F98 HydrophobicContact CB-CE1 4.21Å; L68-F98 WeakPolarHBondContact O-CA 3.25Å; L68-F98 WeakPolarHBondContact O-CD1 3Å; E81-F98 HydrophobicContact CB-CE1 3.8Å; E81-F98 HydrophobicContact CB-CZ 4.14Å; E81-F98 HydrophobicContact CG-CE1 3.81Å; E81-F98 HydrophobicContact CG-CZ 4.02Å; V83-F98 HydrophobicContact CG2-CZ 4.45Å; L88-F98 HydrophobicContact CD1-CB 3.87Å; L88-F98 HydrophobicContact CD1-CD1 3.81Å; L88-F98 HydrophobicContact CD1-CD2 4.21Å; L88-F98 HydrophobicContact CD1-CE1 4.39Å; L88-F98 HydrophobicContact CD1-CG 3.7Å; L88-F98 HydrophobicContact CD2-CD2 4.18Å; L88-F98 HydrophobicContact CD2-CE2 4.43Å; L88-F98 HydrophobicContact CD2-CG 4.49Å; S95-F98 WeakPolarHBondContact O-CB 3.43Å; S95-F98 PolarHBondContact O-N 2.9Å; K96-F98 PolarHBondContact O-N 2.98Å
99T97.9Very high93.4Very high0 Ų061.8 Ų61.80%033%0.334CS..EExtended strand (participates in β ladder)trans-111.9137.6-167.6-52.40000111.5N47 L50 P56 V57 S95 K96 A114N47-T99 HydrophobicContact CB-CG2 3.81Å; N47-T99 PolarHBondContact ND2-OG1 3.26Å; L50-T99 HydrophobicContact CD1-CG2 3.47Å; L50-T99 VanDerWaalsContact CD1-CG2 3.47Å; P56-T99 HydrophobicContact CB-CG2 3.74Å; V57-T99 WeakPolarHBondContact O-CA 3.47Å; S95-T99 PolarHBondContact O-OG1 3.41Å; K96-T99 PolarHBondContact O-N 2.85Å; K96-T99 VanDerWaalsContact O-N 3.13Å; T99-A114 HydrophobicContact CG2-CB 4.13Å; T99-A114 VanDerWaalsContact O-CB 3.25Å; T99-A114 WeakPolarHBondContact O-CB 3.43Å; T99-A114 PolarHBondContact O-N 2.92Å
100F98.4Very high93.5Very high0 Ų062 Ų620%034%0.336CS..EExtended strand (participates in β ladder)trans-120.2136.2174.1-61.5-94.4000109.7P56 V57 L59 L68 C70 L78 R102 F111 E112 L121 L133P56-F100 CarbonylContact C-O 3.36Å; P56-F100 WeakPolarHBondContact CA-O 3.29Å; V57-F100 HydrophobicContact CG2-CB 4.38Å; V57-F100 WeakPolarHBondContact CG2-O 3.36Å; V57-F100 PolarHBondContact N-O 3.24Å; V57-F100 PolarHBondContact O-N 2.95Å; L59-F100 HydrophobicContact CD1-CD2 4.08Å; L59-F100 HydrophobicContact CD1-CE2 4.46Å; L59-F100 HydrophobicContact CG-CD2 4.28Å; L68-F100 HydrophobicContact CB-CE2 4.02Å; L68-F100 HydrophobicContact CB-CZ 4.41Å; C70-F100 VanDerWaalsContact SG-CE1 3.53Å; C70-F100 WeakPolarHBondContact SG-CZ 3.38Å; L78-F100 HydrophobicContact CD1-CE1 4.42Å; L78-F100 HydrophobicContact CD1-CZ 3.79Å; F100-R102 PolarHBondContact O-N 3.45Å; F100-F111 HydrophobicContact CB-CB 4.05Å; F100-F111 HydrophobicContact CB-CD1 4.27Å; F100-F111 HydrophobicContact CD1-CB 4.18Å; F100-F111 HydrophobicContact CG-CB 4.37Å; F100-E112 CarbonylContact C-O 3.56Å; F100-E112 WeakPolarHBondContact CA-O 3.34Å; F100-L121 HydrophobicContact CE1-CD1 4.31Å; F100-L133 HydrophobicContact CE1-CD2 4.12Å
101Y98.1Very high93.7Very high39 Ų3957.3 Ų57.315%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-81114.6167-61.8-56.4000108.8L50 L54 P56 E112 A114L50-Y101 HydrophobicContact CD1-CE1 3.99Å; L54-Y101 HydrophobicContact CB-CD1 3.45Å; L54-Y101 VanDerWaalsContact CB-CD1 3.45Å; L54-Y101 HydrophobicContact CB-CE1 3.66Å; L54-Y101 HydrophobicContact CB-CG 4.13Å; L54-Y101 HydrophobicContact CD1-CD1 4.33Å; L54-Y101 HydrophobicContact CD1-CE1 3.84Å; L54-Y101 HydrophobicContact CD1-CE2 4.4Å; L54-Y101 HydrophobicContact CG-CE1 4.42Å; L54-Y101 WeakPolarHBondContact O-CB 3.46Å; L54-Y101 WeakPolarHBondContact O-CD1 3.2Å; P56-Y101 HydrophobicContact CB-CD1 3.87Å; P56-Y101 HydrophobicContact CB-CE1 3.85Å; Y101-E112 PolarHBondContact N-O 2.84Å; Y101-E112 PolarHBondContact O-N 2.87Å; Y101-A114 HydrophobicContact CD2-CB 4.14Å; Y101-A114 HydrophobicContact CE1-CB 4.35Å; Y101-A114 HydrophobicContact CE2-CB 3.63Å
102R97.8Very high94Very high67 Ų6756.9 Ų56.925%0.25330%0.301SS..EExtended strand (participates in β ladder)trans-78.7120.2174.6177.8-174.9161.5-165.7-9.4108.9S55 V57 F100 D104 S109 S110 F111S55-R102 WeakPolarHBondContact CB-O 3.37Å; S55-R102 PolarHBondContact O-N 2.89Å; V57-R102 HydrophobicContact CG2-CB 4.27Å; F100-R102 PolarHBondContact O-N 3.45Å; R102-D104 IonicContact CZ-OD2 3.79Å; R102-D104 IonicContact NH2-OD2 2.8Å; R102-D104 PolarHBondContact NH2-OD2 2.86Å; R102-S109 PolarHBondContact NE-OG 3.2Å; R102-S110 WeakPolarHBondContact CA-O 3.41Å; R102-F111 HydrophobicContact CB-CD1 4.23Å; R102-F111 HydrophobicContact CB-CE1 4.02Å; R102-F111 HydrophobicContact CG-CE1 3.98Å; R102-F111 HydrophobicContact CG-CZ 4.31Å
103R96.1Very high94.8Very high130 Ų13052.4 Ų52.449%0.49126%0.264SS..EExtended strand (participates in β ladder)trans-102.1114168.5-60.5-178.3-176.1-156.81.3108.9S109 S110 E112R103-S109 CarbonylContact O-C 3.59Å; R103-S109 WeakPolarHBondContact O-CA 3.31Å; R103-S109 WeakPolarHBondContact O-CB 3.38Å; R103-S110 PolarHBondContact N-O 3.5Å; R103-S110 PolarHBondContact O-N 2.63Å; R103-E112 IonicContact CZ-OE2 2.82Å; R103-E112 IonicContact NE-OE2 3.32Å; R103-E112 PolarHBondContact NE-OE2 2.94Å; R103-E112 IonicContact NH2-OE1 3.3Å; R103-E112 IonicContact NH2-OE2 3.39Å; R103-E112 PolarHBondContact NH2-OE2 3.28Å
104D93.1Very high95.3Very high98 Ų9844.8 Ų44.852%0.52423%0.232SC..EExtended strand (participates in β ladder)trans-78.2125.8175.1-159.3-41.8000110.2R102 G106R102-D104 IonicContact CZ-OD2 3.79Å; R102-D104 IonicContact NH2-OD2 2.8Å; R102-D104 PolarHBondContact NH2-OD2 2.86Å; D104-G106 PolarHBondContact OD1-N 2.81Å
105M91Very high95.9Very high94 Ų9442.5 Ų42.546%0.46323%0.227SC..  trans-117.119.4-179.8-63.9-180-69.700111.5T108 D148M105-T108 PolarHBondContact N-O 3.49Å; M105-D148 WeakPolarHBondContact CE-OD1 3.44Å
106G92.9Very high96Very high62 Ų6242.6 Ų42.664%0.63923%0.225SC*.SBendtrans100.2-86.2179.100000112D104D104-G106 PolarHBondContact OD1-N 2.81Å
107L94.1Very high96Very high145 Ų14543.4 Ų43.476%0.75924%0.238SC*.SBendtrans-84.7-26.8179.4-66.3179.2000112.9Y150L107-Y150 HydrophobicContact CB-CE1 4.29Å; L107-Y150 WeakPolarHBondContact O-CD1 3.25Å
108T97.4Very high95.9Very high20 Ų2043.3 Ų43.312%0.12324%0.242CC..  trans-123165.9-178560000110.3M105 D148 F149 Y150M105-T108 PolarHBondContact N-O 3.49Å; T108-D148 HydrophobicContact CG2-CB 4.24Å; T108-F149 CarbonylContact C-O 3.37Å; T108-F149 VanDerWaalsContact CA-O 3.23Å; T108-F149 WeakPolarHBondContact CA-O 3.35Å; T108-F149 WeakPolarHBondContact CB-O 3.35Å; T108-Y150 HydrophobicContact CG2-CD1 4.19Å; T108-Y150 HydrophobicContact CG2-CD2 4.34Å; T108-Y150 HydrophobicContact CG2-CE1 4.16Å; T108-Y150 HydrophobicContact CG2-CE2 4.32Å; T108-Y150 HydrophobicContact CG2-CG 4.29Å
109S97.6Very high95.8Very high3 Ų344.7 Ų44.72%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-130.9148.6169.5-64.30000109.9R102 R103 F149R102-S109 PolarHBondContact NE-OG 3.2Å; R103-S109 CarbonylContact O-C 3.59Å; R103-S109 WeakPolarHBondContact O-CA 3.31Å; R103-S109 WeakPolarHBondContact O-CB 3.38Å; S109-F149 PolarHBondContact N-O 2.61Å; S109-F149 PolarHBondContact O-N 3.39Å
110S97.3Very high95.7Very high7 Ų745.4 Ų45.45%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-107.4156.2166.957.70000109.9R102 R103 T147R102-S110 WeakPolarHBondContact CA-O 3.41Å; R103-S110 PolarHBondContact N-O 3.5Å; R103-S110 PolarHBondContact O-N 2.63Å; S110-T147 WeakPolarHBondContact CA-O 3.39Å; S110-T147 WeakPolarHBondContact CB-O 3.3Å
111F98.1Very high95.6Very high0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-127.5103.8-174.1-64.7-90.5000109.1M11 V57 L59 F100 R102 F120 L121 F149 F151M11-F111 HydrophobicContact CE-CD2 4.09Å; M11-F111 HydrophobicContact CE-CE2 3.57Å; M11-F111 HydrophobicContact CE-CZ 4.01Å; V57-F111 HydrophobicContact CG2-CD1 4.11Å; V57-F111 HydrophobicContact CG2-CE1 4.07Å; L59-F111 HydrophobicContact CD1-CD1 4.25Å; L59-F111 HydrophobicContact CD2-CE1 4.48Å; F100-F111 HydrophobicContact CB-CB 4.05Å; F100-F111 HydrophobicContact CB-CD1 4.27Å; F100-F111 HydrophobicContact CD1-CB 4.18Å; F100-F111 HydrophobicContact CG-CB 4.37Å; R102-F111 HydrophobicContact CB-CD1 4.23Å; R102-F111 HydrophobicContact CB-CE1 4.02Å; R102-F111 HydrophobicContact CG-CE1 3.98Å; R102-F111 HydrophobicContact CG-CZ 4.31Å; F111-F120 CarbonylContact O-C 3.53Å; F111-F120 WeakPolarHBondContact O-CA 3.14Å; F111-L121 HydrophobicContact CB-CB 3.88Å; F111-L121 HydrophobicContact CB-CD2 4.38Å; F111-L121 HydrophobicContact CD2-CD2 4.46Å; F111-L121 PolarHBondContact O-N 3.46Å; F111-F149 HydrophobicContact CD2-CD2 4.01Å; F111-F149 HydrophobicContact CE2-CB 4.16Å; F111-F149 HydrophobicContact CE2-CD2 4.33Å; F111-F151 HydrophobicContact CE1-CE2 4.35Å; F111-F151 HydrophobicContact CE1-CZ 4.46Å; F111-F151 HydrophobicContact CE2-CD2 4.43Å; F111-F151 HydrophobicContact CZ-CB 4.37Å; F111-F151 HydrophobicContact CZ-CD1 4.38Å; F111-F151 AromaticContact CZ-CD2 3.67Å; F111-F151 HydrophobicContact CZ-CD2 3.67Å; F111-F151 AromaticContact CZ-CE2 3.91Å; F111-F151 HydrophobicContact CZ-CE2 3.91Å; F111-F151 AromaticContact CZ-CG 3.91Å; F111-F151 HydrophobicContact CZ-CG 3.91Å; F111-F151 HydrophobicContact CZ-CZ 4.31Å
112E97.4Very high95.6Very high22 Ų2243.6 Ų43.610%0.10324%0.243CC..EExtended strand (participates in β ladder)trans-91.6135.8178.7-172.6-179-175.900110.7F100 Y101 R103 A114 G118 W119 F120F100-E112 CarbonylContact C-O 3.56Å; F100-E112 WeakPolarHBondContact CA-O 3.34Å; Y101-E112 PolarHBondContact N-O 2.84Å; Y101-E112 PolarHBondContact O-N 2.87Å; R103-E112 IonicContact CZ-OE2 2.82Å; R103-E112 IonicContact NE-OE2 3.32Å; R103-E112 PolarHBondContact NE-OE2 2.94Å; R103-E112 IonicContact NH2-OE1 3.3Å; R103-E112 IonicContact NH2-OE2 3.39Å; R103-E112 PolarHBondContact NH2-OE2 3.28Å; E112-A114 PolarHBondContact O-N 3.25Å; E112-G118 PolarHBondContact OE1-N 2.86Å; E112-W119 CarbonylContact C-O 3.02Å; E112-W119 WeakPolarHBondContact CA-O 3.31Å; E112-F120 HydrophobicContact CB-CD1 3.85Å; E112-F120 HydrophobicContact CB-CE1 3.62Å; E112-F120 HydrophobicContact CB-CZ 4.2Å; E112-F120 HydrophobicContact CG-CD1 4.3Å; E112-F120 HydrophobicContact CG-CE1 3.92Å; E112-F120 HydrophobicContact CG-CE2 4.44Å; E112-F120 HydrophobicContact CG-CZ 3.98Å
113S97.1Very high95.5Very high0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-64124.2176.11760000111.6C70 A115 H116 W119C70-S113 PolarHBondContact SG-OG 3.19Å; S113-A115 VanDerWaalsContact C-N 3.3Å; S113-A115 PolarHBondContact O-N 3.28Å; S113-A115 PolarHBondContact OG-N 3.06Å; S113-H116 CarbonylContact O-C 3.56Å; S113-H116 PolarHBondContact O-N 3.29Å; S113-H116 PolarHBondContact OG-N 3.41Å; S113-H116 VanDerWaalsContact OG-N 3.09Å; S113-W119 PolarHBondContact N-O 3.49Å
114A95.5Very high95.4Very high4 Ų434.7 Ų34.73%0.03321%0.21CC..SBendtrans-71.2-26.917600000112.7L50 K96 T99 Y101 E112L50-A114 HydrophobicContact CD1-CB 4Å; K96-A114 WeakPolarHBondContact CE-O 3.36Å; K96-A114 HydrophobicContact CG-CB 3.99Å; T99-A114 HydrophobicContact CG2-CB 4.13Å; T99-A114 VanDerWaalsContact O-CB 3.25Å; T99-A114 WeakPolarHBondContact O-CB 3.43Å; T99-A114 PolarHBondContact O-N 2.92Å; Y101-A114 HydrophobicContact CD2-CB 4.14Å; Y101-A114 HydrophobicContact CE1-CB 4.35Å; Y101-A114 HydrophobicContact CE2-CB 3.63Å; E112-A114 PolarHBondContact O-N 3.25Å
115A94.9Very high95.4Very high33 Ų3332.3 Ų32.327%0.27320%0.2SC..SBendtrans-82.3-24.3176.300000113K96 S113K96-A115 HydrophobicContact CG-CB 4.38Å; S113-A115 VanDerWaalsContact C-N 3.3Å; S113-A115 PolarHBondContact O-N 3.28Å; S113-A115 PolarHBondContact OG-N 3.06Å
116H94.8Very high95.5Very high26 Ų2633.1 Ų33.112%0.1220%0.203CC..SBendtrans-133.181.8-175.8-60.7-82.5000110.3C70 G71 G73 P76 S113 W119C70-H116 PolarHBondContact O-NE2 2.88Å; G71-H116 PolarHBondContact O-NE2 2.97Å; G73-H116 PolarHBondContact O-CE1 2.83Å; G73-H116 VanDerWaalsContact O-CE1 3.28Å; P76-H116 HydrophobicContact CB-CB 4.1Å; P76-H116 HydrophobicContact CG-CB 4.38Å; S113-H116 CarbonylContact O-C 3.56Å; S113-H116 PolarHBondContact O-N 3.29Å; S113-H116 PolarHBondContact OG-N 3.41Å; S113-H116 VanDerWaalsContact OG-N 3.09Å; H116-W119 HydrophobicContact CB-CB 4.18Å; H116-W119 HydrophobicContact CB-CG 4.16Å; H116-W119 WeakPolarHBondContact O-CB 3.43Å; H116-W119 PolarHBondContact O-N 2.87Å; H116-W119 VanDerWaalsContact O-N 3.12Å
117P92.9Very high95.5Very high102 Ų10232.1 Ų32.166%0.66219%0.189SC*.THydrogen-bonded Turntrans-54.3140.7-179.4-26.535.4000112.6W119P117-W119 VanDerWaalsContact C-N 3.26Å; P117-W119 PolarHBondContact O-N 2.93Å
118G93.2Very high95.5Very high29 Ų2927 Ų2730%0.29916%0.162SC..THydrogen-bonded Turntrans81-4.6-175.500000115.2E112 F120E112-G118 PolarHBondContact OE1-N 2.86Å; G118-F120 WeakPolarHBondContact O-CD2 3.24Å; G118-F120 WeakPolarHBondContact O-CE2 3.1Å
119W95.4Very high95.4Very high57 Ų5730.3 Ų30.322%0.21618%0.176CC..EExtended strand (participates in β ladder)trans-98.8126.9173.6-69.680.9000111.2P76 E112 S113 H116 P117 L133 T134 Q135P76-W119 HydrophobicContact CB-CD2 4.4Å; P76-W119 HydrophobicContact CG-CD2 3.25Å; P76-W119 HydrophobicContact CG-CE3 3.51Å; P76-W119 HydrophobicContact CG-CG 3.73Å; P76-W119 HydrophobicContact CG-CH2 3.82Å; P76-W119 HydrophobicContact CG-CZ2 3.62Å; P76-W119 HydrophobicContact CG-CZ3 3.78Å; E112-W119 CarbonylContact C-O 3.02Å; E112-W119 WeakPolarHBondContact CA-O 3.31Å; S113-W119 PolarHBondContact N-O 3.49Å; H116-W119 HydrophobicContact CB-CB 4.18Å; H116-W119 HydrophobicContact CB-CG 4.16Å; H116-W119 WeakPolarHBondContact O-CB 3.43Å; H116-W119 PolarHBondContact O-N 2.87Å; H116-W119 VanDerWaalsContact O-N 3.12Å; P117-W119 VanDerWaalsContact C-N 3.26Å; P117-W119 PolarHBondContact O-N 2.93Å; W119-L133 HydrophobicContact CE3-CB 3.83Å; W119-L133 HydrophobicContact CZ3-CB 4.46Å; W119-T134 CarbonylContact C-O 3.57Å; W119-T134 WeakPolarHBondContact CA-O 3.37Å; W119-Q135 HydrophobicContact CD2-CG 3.64Å; W119-Q135 VanDerWaalsContact CE2-CG 3.49Å; W119-Q135 HydrophobicContact CE3-CG 4.09Å; W119-Q135 HydrophobicContact CG-CG 4.07Å; W119-Q135 HydrophobicContact CH2-CG 4.34Å; W119-Q135 HydrophobicContact CZ2-CG 3.88Å; W119-Q135 HydrophobicContact CZ3-CG 4.43Å
120F96.2Very high95.4Very high16 Ų1632.3 Ų32.37%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-115.2143.9-175.7-64-95.1000111F111 E112 G118 C122 L133 T134 L136 T147F111-F120 CarbonylContact O-C 3.53Å; F111-F120 WeakPolarHBondContact O-CA 3.14Å; E112-F120 HydrophobicContact CB-CD1 3.85Å; E112-F120 HydrophobicContact CB-CE1 3.62Å; E112-F120 HydrophobicContact CB-CZ 4.2Å; E112-F120 HydrophobicContact CG-CD1 4.3Å; E112-F120 HydrophobicContact CG-CE1 3.92Å; E112-F120 HydrophobicContact CG-CE2 4.44Å; E112-F120 HydrophobicContact CG-CZ 3.98Å; G118-F120 WeakPolarHBondContact O-CD2 3.24Å; G118-F120 WeakPolarHBondContact O-CE2 3.1Å; F120-C122 PolarHBondContact O-N 2.79Å; F120-L133 CarbonylContact O-C 3.48Å; F120-L133 VanDerWaalsContact O-CA 3.28Å; F120-L133 WeakPolarHBondContact O-CA 3.15Å; F120-T134 PolarHBondContact N-O 3.16Å; F120-T134 PolarHBondContact O-N 2.69Å; F120-L136 HydrophobicContact CD2-CD1 3.92Å; F120-L136 HydrophobicContact CD2-CG 4.07Å; F120-L136 HydrophobicContact CE2-CD1 3.82Å; F120-L136 HydrophobicContact CE2-CG 4.34Å; F120-L136 HydrophobicContact CG-CD1 4.4Å; F120-L136 HydrophobicContact CZ-CD1 4.19Å; F120-T147 HydrophobicContact CB-CG2 3.9Å
121L97.5Very high95.4Very high1 Ų132.4 Ų32.41%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-56.7132.2164.6-163.373.1000108.7M11 L78 F100 F111 V131 F149M11-L121 HydrophobicContact CE-CD2 4.31Å; L78-L121 HydrophobicContact CD1-CD1 4.03Å; L78-L121 HydrophobicContact CD2-CD1 3.57Å; L78-L121 HydrophobicContact CG-CD1 4.49Å; F100-L121 HydrophobicContact CE1-CD1 4.31Å; F111-L121 HydrophobicContact CB-CB 3.88Å; F111-L121 HydrophobicContact CB-CD2 4.38Å; F111-L121 HydrophobicContact CD2-CD2 4.46Å; F111-L121 PolarHBondContact O-N 3.46Å; L121-V131 HydrophobicContact CD1-CG1 3.47Å; L121-V131 VanDerWaalsContact CD1-CG1 3.47Å; L121-V131 HydrophobicContact CD2-CG1 4.24Å; L121-V131 HydrophobicContact CG-CG1 3.66Å; L121-F149 HydrophobicContact CB-CE2 4.29Å; L121-F149 HydrophobicContact CD2-CE2 4.27Å; L121-F149 HydrophobicContact CD2-CZ 4.21Å; L121-F149 HydrophobicContact CG-CE2 4.34Å; L121-F149 HydrophobicContact CG-CZ 4.22Å; L121-F149 WeakPolarHBondContact O-CE2 3.49Å
122C96.6Very high95.2Very high0 Ų038 Ų380%021%0.211CC..EExtended strand (participates in β ladder)trans-148.3158.3-179.876.20000113.5F120 V131 R132 T134 P145 I146 T147F120-C122 PolarHBondContact O-N 2.79Å; C122-V131 WeakPolarHBondContact O-CA 3.41Å; C122-V131 WeakPolarHBondContact O-CG1 3.35Å; C122-R132 PolarHBondContact N-O 2.65Å; C122-R132 PolarHBondContact O-N 3Å; C122-R132 WeakPolarHBondContact SG-CG 3.48Å; C122-T134 HydrophobicContact CB-CG2 3.64Å; C122-T134 VanDerWaalsContact SG-CB 3.55Å; C122-T134 WeakPolarHBondContact SG-CG2 3.38Å; C122-P145 HydrophobicContact CB-CB 3.92Å; C122-I146 CarbonylContact C-O 3.46Å; C122-I146 WeakPolarHBondContact CA-O 3.48Å; C122-I146 VanDerWaalsContact CB-O 3.24Å; C122-I146 WeakPolarHBondContact CB-O 3.44Å; C122-T147 HydrophobicContact CB-CG2 3.87Å
123T96.2Very high95.2Very high1 Ų137.8 Ų37.81%0.00621%0.21CC..BIsolated β-bridgetrans-110.8172.1164.569.50000109.2D13 L19 A28 V131 P145 I146 F149D13-T123 HydrophobicContact CB-CG2 4.1Å; D13-T123 PolarHBondContact OD2-OG1 3.2Å; L19-T123 HydrophobicContact CD2-CG2 4.17Å; A28-T123 HydrophobicContact CB-CG2 3.49Å; A28-T123 VanDerWaalsContact CB-CG2 3.49Å; T123-V131 HydrophobicContact CG2-CG2 4.36Å; T123-P145 CarbonylContact O-C 3.57Å; T123-P145 VanDerWaalsContact O-CA 3.25Å; T123-P145 WeakPolarHBondContact O-CA 3.47Å; T123-I146 PolarHBondContact N-O 2.91Å; T123-I146 PolarHBondContact O-N 3.14Å; T123-F149 HydrophobicContact CG2-CE1 3.69Å; T123-F149 HydrophobicContact CG2-CZ 3.98Å
124V94.7Very high95Very high8 Ų838.9 Ų38.95%0.04822%0.217CC..  trans-106.5163.4170.3-620000110.6K17 E126 Q129K17-V124 WeakPolarHBondContact CE-O 3.43Å; K17-V124 PolarHBondContact NZ-O 2.88Å; V124-E126 WeakPolarHBondContact CB-OE2 3.41Å; V124-E126 HydrophobicContact CG2-CB 4.15Å; V124-E126 WeakPolarHBondContact CG2-OE2 3.28Å; V124-E126 PolarHBondContact O-N 2.85Å; V124-Q129 HydrophobicContact CG2-CB 3.29Å; V124-Q129 HydrophobicContact CG2-CG 3.46Å; V124-Q129 VanDerWaalsContact CG2-CG 3.46Å
125P92.3Very high94.9Very high49 Ų4944 Ų4432%0.31824%0.24SC..SBendtrans-56.4-37.1175.3-26.135.2000112.8
126E93.4Very high93.9Very high110 Ų11046.6 Ų46.651%0.51425%0.249SC..SBendtrans-65.1139.8178.4-59.778.9-172.100111.9V124 Q129V124-E126 WeakPolarHBondContact CB-OE2 3.41Å; V124-E126 HydrophobicContact CG2-CB 4.15Å; V124-E126 WeakPolarHBondContact CG2-OE2 3.28Å; V124-E126 PolarHBondContact O-N 2.85Å; E126-Q129 HydrophobicContact CB-CG 3.78Å
127A92.9Very high92.5Very high42 Ų4248.6 Ų48.635%0.34726%0.264SS..THydrogen-bonded Turntrans-73.6153.7176.500000112K17 Q129K17-A127 HydrophobicContact CD-CB 4.47Å; A127-Q129 PolarHBondContact O-N 3.31Å; A127-Q129 VanDerWaalsContact O-N 3.15Å; A127-Q129 PolarHBondContact O-NE2 3.28Å
128D93.5Very high90.8Very high38 Ų3851.7 Ų51.720%0.20328%0.275CS..THydrogen-bonded Turntrans61.224.7172.5-53-72.2000114Y20 A28 H32Y20-D128 WeakPolarHBondContact CE1-OD1 3.38Å; Y20-D128 PolarHBondContact OH-OD1 2.94Å; A28-D128 PolarHBondContact O-N 2.87Å; H32-D128 VanDerWaalsContact CE1-CG 3.45Å; H32-D128 IonicContact CE1-OD1 2.69Å; H32-D128 PolarHBondContact CE1-OD1 2.69Å; H32-D128 IonicContact CE1-OD2 3.89Å; H32-D128 PolarHBondContact CE1-OD2 3Å; H32-D128 IonicContact NE2-OD2 3.92Å; H32-D128 PolarHBondContact NE2-OD2 3.06Å; H32-D128 VanDerWaalsContact NE2-OD2 3.13Å
129Q96.1Very high89.1Confident89 Ų8957.6 Ų57.642%0.41630%0.3SS..EExtended strand (participates in β ladder)trans-91.7149.6172.4-63.3-52.3-57.100110.8L27 A28 V124 E126 A127L27-Q129 WeakPolarHBondContact CA-O 3.47Å; A28-Q129 PolarHBondContact N-O 2.91Å; V124-Q129 HydrophobicContact CG2-CB 3.29Å; V124-Q129 HydrophobicContact CG2-CG 3.46Å; V124-Q129 VanDerWaalsContact CG2-CG 3.46Å; E126-Q129 HydrophobicContact CB-CG 3.78Å; A127-Q129 PolarHBondContact O-N 3.31Å; A127-Q129 VanDerWaalsContact O-N 3.15Å; A127-Q129 PolarHBondContact O-NE2 3.28Å
130P96.7Very high87.6Confident44 Ų4458.1 Ų58.129%0.28632%0.317SS..EExtended strand (participates in β ladder)trans-60141.1176.3-22.732.9000112.8L26 L27L26-P130 WeakPolarHBondContact O-CA 3.29Å; L27-P130 HydrophobicContact CD2-CB 3.97Å; L27-P130 HydrophobicContact CD2-CG 3.74Å
131V97.3Very high86.4Confident10 Ų1059.7 Ų59.76%0.06134%0.337CS..PPolyproline II helixtrans-62.8138.2162.9-176.10000107.9L19 L26 L78 L121 C122 T123L19-V131 HydrophobicContact CD1-CG2 4.3Å; L19-V131 HydrophobicContact CD2-CG2 3.73Å; L26-V131 HydrophobicContact CB-CB 4.48Å; L26-V131 HydrophobicContact CB-CG2 4.23Å; L26-V131 HydrophobicContact CD2-CG2 4.18Å; L26-V131 HydrophobicContact CG-CG2 4.05Å; L26-V131 WeakPolarHBondContact O-CG2 3.36Å; L26-V131 PolarHBondContact O-N 3.16Å; L78-V131 HydrophobicContact CD2-CB 4.21Å; L78-V131 HydrophobicContact CD2-CG1 3.86Å; L78-V131 WeakPolarHBondContact CD2-O 3.27Å; L121-V131 HydrophobicContact CD1-CG1 3.47Å; L121-V131 VanDerWaalsContact CD1-CG1 3.47Å; L121-V131 HydrophobicContact CD2-CG1 4.24Å; L121-V131 HydrophobicContact CG-CG1 3.66Å; C122-V131 WeakPolarHBondContact O-CA 3.41Å; C122-V131 WeakPolarHBondContact O-CG1 3.35Å; T123-V131 HydrophobicContact CG2-CG2 4.36Å
132R95.8Very high85.1Confident117 Ų11771.7 Ų71.744%0.44238%0.382SS..EExtended strand (participates in β ladder)trans-142.6-174.5-175.368.1-168.6-173.6177.25.7111.3C122C122-R132 PolarHBondContact N-O 2.65Å; C122-R132 PolarHBondContact O-N 3Å; C122-R132 WeakPolarHBondContact SG-CG 3.48Å
133L95.8Very high84.3Confident17 Ų1778.1 Ų78.19%0.08942%0.417CS..EExtended strand (participates in β ladder)trans-108.1147.4172.1-66.1166.6000110C70 P76 L78 F100 W119 F120C70-L133 HydrophobicContact CB-CD1 3.85Å; P76-L133 HydrophobicContact CB-CD1 3.76Å; L78-L133 HydrophobicContact CB-CD1 4.3Å; L78-L133 HydrophobicContact CB-CG 4.19Å; L78-L133 HydrophobicContact CD1-CD1 4.42Å; L78-L133 HydrophobicContact CD1-CD2 4.47Å; L78-L133 HydrophobicContact CD1-CG 4.34Å; F100-L133 HydrophobicContact CE1-CD2 4.12Å; W119-L133 HydrophobicContact CE3-CB 3.83Å; W119-L133 HydrophobicContact CZ3-CB 4.46Å; F120-L133 CarbonylContact O-C 3.48Å; F120-L133 VanDerWaalsContact O-CA 3.28Å; F120-L133 WeakPolarHBondContact O-CA 3.15Å
134T94.1Very high83.9Confident23 Ų2379 Ų7914%0.14142%0.424CS..EExtended strand (participates in β ladder)trans-147.8156.1175.1-162.40000111.7W119 F120 C122 P145 T147W119-T134 CarbonylContact C-O 3.57Å; W119-T134 WeakPolarHBondContact CA-O 3.37Å; F120-T134 PolarHBondContact N-O 3.16Å; F120-T134 PolarHBondContact O-N 2.69Å; C122-T134 HydrophobicContact CB-CG2 3.64Å; C122-T134 VanDerWaalsContact SG-CB 3.55Å; C122-T134 WeakPolarHBondContact SG-CG2 3.38Å; T134-P145 HydrophobicContact CG2-CB 3.95Å; T134-P145 HydrophobicContact CG2-CG 4.27Å; T134-T147 HydrophobicContact CG2-CG2 4Å
135Q92.1Very high83.9Confident112 Ų11280 Ų8052%0.52343%0.431SS..EExtended strand (participates in β ladder)trans-92.3134.2163.4-61-176.9-52.500108.1W119 P137W119-Q135 HydrophobicContact CD2-CG 3.64Å; W119-Q135 VanDerWaalsContact CE2-CG 3.49Å; W119-Q135 HydrophobicContact CE3-CG 4.09Å; W119-Q135 HydrophobicContact CG-CG 4.07Å; W119-Q135 HydrophobicContact CH2-CG 4.34Å; W119-Q135 HydrophobicContact CZ2-CG 3.88Å; W119-Q135 HydrophobicContact CZ3-CG 4.43Å; Q135-P137 VanDerWaalsContact O-CD 3.29Å; Q135-P137 WeakPolarHBondContact O-CD 3.2Å
136L75.1Confident84Confident88 Ų8879 Ų7946%0.46142%0.422SS..PPolyproline II helixtrans-66.8120.6177.8-75.7164.8000109.4F120 T147F120-L136 HydrophobicContact CD2-CD1 3.92Å; F120-L136 HydrophobicContact CD2-CG 4.07Å; F120-L136 HydrophobicContact CE2-CD1 3.82Å; F120-L136 HydrophobicContact CE2-CG 4.34Å; F120-L136 HydrophobicContact CG-CD1 4.4Å; F120-L136 HydrophobicContact CZ-CD1 4.19Å; L136-T147 HydrophobicContact CD2-CG2 3.77Å; L136-T147 HydrophobicContact CG-CG2 4.4Å
137P64.9Low84.1Confident67 Ų6774.3 Ų74.344%0.43540%0.401SS..PPolyproline II helixtrans-75.7144.6173.429.4-30.8000110.3Q135 N139 A140Q135-P137 VanDerWaalsContact O-CD 3.29Å; Q135-P137 WeakPolarHBondContact O-CD 3.2Å; P137-N139 PolarHBondContact O-N 3.02Å; P137-A140 HydrophobicContact CG-CB 4.37Å
138D58.3Low84.3Confident167 Ų16774.6 Ų74.689%0.89340%0.397SS*.THydrogen-bonded Turntrans-58.9-20179.4-66.9-33.1000113.5
139N57.5Low84.5Confident153 Ų15372.8 Ų72.882%0.81839%0.387SS*.THydrogen-bonded Turntrans-132.167.7-176.8-61.5-45000111.7P137 G141P137-N139 PolarHBondContact O-N 3.02Å; N139-G141 PolarHBondContact O-N 3.1Å; N139-G141 VanDerWaalsContact O-N 3.16Å
140A63.3Low84.6Confident69 Ų6971.7 Ų71.757%0.5738%0.38SS*.  trans-68.4108.7179.300000111.9P137 A144P137-A140 HydrophobicContact CG-CB 4.37Å; A140-A144 HydrophobicContact CB-CB 3.64Å
141G70.4Confident84.6Confident48 Ų4870.7 Ų70.750%0.49537%0.371SS..  trans-78.7-178.5167.600000112.5N139 N143 A144N139-G141 PolarHBondContact O-N 3.1Å; N139-G141 VanDerWaalsContact O-N 3.16Å; G141-N143 PolarHBondContact O-N 2.82Å; G141-N143 VanDerWaalsContact O-N 3.11Å; G141-A144 WeakPolarHBondContact O-CB 3.46Å; G141-A144 PolarHBondContact O-N 3.01Å
142W70.6Confident84.5Confident254 Ų25475.1 Ų75.196%0.96239%0.391SS*.THydrogen-bonded Turntrans-65.7-17.3-175.9-28.7-57.2000114.3A144W142-A144 VanDerWaalsContact C-N 3.34Å
143N79Confident84.4Confident135 Ų13575.6 Ų75.672%0.72240%0.398SS*.THydrogen-bonded Turntrans-94.110.2175.3-67.3-5.5000112.8G141G141-N143 PolarHBondContact O-N 2.82Å; G141-N143 VanDerWaalsContact O-N 3.11Å
144A89Confident84.2Confident20 Ų2075.7 Ų75.717%0.16540%0.4CS..SBendtrans-69.8152.1178.200000111.2A140 G141 W142A140-A144 HydrophobicContact CB-CB 3.64Å; G141-A144 WeakPolarHBondContact O-CB 3.46Å; G141-A144 PolarHBondContact O-N 3.01Å; W142-A144 VanDerWaalsContact C-N 3.34Å
145P93.7Very high83.6Confident29 Ų2985.2 Ų85.219%0.18845%0.451CS..PPolyproline II helixtrans-57.5144.9169.1-21.732.9000111.9C122 T123 T134C122-P145 HydrophobicContact CB-CB 3.92Å; T123-P145 CarbonylContact O-C 3.57Å; T123-P145 VanDerWaalsContact O-CA 3.25Å; T123-P145 WeakPolarHBondContact O-CA 3.47Å; T134-P145 HydrophobicContact CG2-CB 3.95Å; T134-P145 HydrophobicContact CG2-CG 4.27Å
146I95Very high83.2Confident26 Ų2683.9 Ų83.913%0.13345%0.447CS..BIsolated β-bridgetrans-94.7124.5178.7-58.4160.4000108.2D13 S14 A15 C122 T123D13-I146 HydrophobicContact CB-CG2 3.97Å; S14-I146 WeakPolarHBondContact OG-CG2 2.82Å; A15-I146 HydrophobicContact CB-CD1 3.79Å; C122-I146 CarbonylContact C-O 3.46Å; C122-I146 WeakPolarHBondContact CA-O 3.48Å; C122-I146 VanDerWaalsContact CB-O 3.24Å; C122-I146 WeakPolarHBondContact CB-O 3.44Å; T123-I146 PolarHBondContact N-O 2.91Å; T123-I146 PolarHBondContact O-N 3.14Å
147T96Very high83.6Confident13 Ų1383.7 Ų83.78%0.0845%0.446CS..  trans-112-2.9-178.157.40000113.7S110 F120 C122 T134 L136 F149S110-T147 WeakPolarHBondContact CA-O 3.39Å; S110-T147 WeakPolarHBondContact CB-O 3.3Å; F120-T147 HydrophobicContact CB-CG2 3.9Å; C122-T147 HydrophobicContact CB-CG2 3.87Å; T134-T147 HydrophobicContact CG2-CG2 4Å; L136-T147 HydrophobicContact CD2-CG2 3.77Å; L136-T147 HydrophobicContact CG-CG2 4.4Å; T147-F149 WeakPolarHBondContact O-CD2 3.16Å; T147-F149 WeakPolarHBondContact O-CE2 3.13Å
148D96.1Very high84.6Confident48 Ų4884.6 Ų84.626%0.25745%0.447SS..  trans-94.8127.6-179.7-60.9-75.1000110.7D13 S14 M105 T108D13-D148 CarbonylContact C-O 3.52Å; D13-D148 WeakPolarHBondContact CA-O 3.4Å; S14-D148 PolarHBondContact N-O 3.1Å; M105-D148 WeakPolarHBondContact CE-OD1 3.44Å; T108-D148 HydrophobicContact CG2-CB 4.24Å
149F97.9Very high86.2Confident0 Ų079.8 Ų79.80%042%0.421CS..EExtended strand (participates in β ladder)trans-126.5133.5178.4-60.1-94.5000111M11 K12 D13 L19 T108 S109 F111 L121 T123 T147 F151M11-F149 HydrophobicContact CE-CB 3.99Å; M11-F149 HydrophobicContact CE-CD1 4.06Å; M11-F149 HydrophobicContact CE-CG 3.96Å; K12-F149 CarbonylContact O-C 3.52Å; K12-F149 VanDerWaalsContact O-CA 3.3Å; K12-F149 WeakPolarHBondContact O-CA 3.43Å; D13-F149 HydrophobicContact CB-CD1 4.09Å; D13-F149 HydrophobicContact CB-CE1 4.09Å; L19-F149 HydrophobicContact CD1-CD1 4.33Å; L19-F149 HydrophobicContact CD1-CE1 4.18Å; L19-F149 HydrophobicContact CD2-CE1 4.37Å; T108-F149 CarbonylContact C-O 3.37Å; T108-F149 VanDerWaalsContact CA-O 3.23Å; T108-F149 WeakPolarHBondContact CA-O 3.35Å; T108-F149 WeakPolarHBondContact CB-O 3.35Å; S109-F149 PolarHBondContact N-O 2.61Å; S109-F149 PolarHBondContact O-N 3.39Å; F111-F149 HydrophobicContact CD2-CD2 4.01Å; F111-F149 HydrophobicContact CE2-CB 4.16Å; F111-F149 HydrophobicContact CE2-CD2 4.33Å; L121-F149 HydrophobicContact CB-CE2 4.29Å; L121-F149 HydrophobicContact CD2-CE2 4.27Å; L121-F149 HydrophobicContact CD2-CZ 4.21Å; L121-F149 HydrophobicContact CG-CE2 4.34Å; L121-F149 HydrophobicContact CG-CZ 4.22Å; L121-F149 WeakPolarHBondContact O-CE2 3.49Å; T123-F149 HydrophobicContact CG2-CE1 3.69Å; T123-F149 HydrophobicContact CG2-CZ 3.98Å; T147-F149 WeakPolarHBondContact O-CD2 3.16Å; T147-F149 WeakPolarHBondContact O-CE2 3.13Å; F149-F151 PolarHBondContact O-N 2.92Å
150Y97.6Very high88Confident65 Ų6575.2 Ų75.226%0.25540%0.396SS..EExtended strand (participates in β ladder)trans-69126158.8-63.6-86.1000108.3M11 K12 D13 L16 L107 T108M11-Y150 WeakPolarHBondContact CA-O 3.03Å; K12-Y150 HydrophobicContact CD-CD2 4.18Å; K12-Y150 HydrophobicContact CD-CG 4.44Å; K12-Y150 HydrophobicContact CG-CD2 3.8Å; K12-Y150 HydrophobicContact CG-CG 4.1Å; K12-Y150 PolarHBondContact N-O 2.88Å; K12-Y150 PolarHBondContact O-N 2.81Å; D13-Y150 WeakPolarHBondContact O-CD2 3.48Å; L16-Y150 HydrophobicContact CD2-CD2 4.13Å; L16-Y150 HydrophobicContact CD2-CE2 3.62Å; L107-Y150 HydrophobicContact CB-CE1 4.29Å; L107-Y150 WeakPolarHBondContact O-CD1 3.25Å; T108-Y150 HydrophobicContact CG2-CD1 4.19Å; T108-Y150 HydrophobicContact CG2-CD2 4.34Å; T108-Y150 HydrophobicContact CG2-CE1 4.16Å; T108-Y150 HydrophobicContact CG2-CE2 4.32Å; T108-Y150 HydrophobicContact CG2-CG 4.29Å
151F96.8Very high89.6Confident24 Ų2475.6 Ų75.611%0.10538%0.384CS..EExtended strand (participates in β ladder)trans-124.393.7-174.2-172.5-113.9000109.1F9 M11 V44 L59 F111 F149F9-F151 HydrophobicContact CB-CD2 4.31Å; F9-F151 HydrophobicContact CB-CE2 3.84Å; F9-F151 HydrophobicContact CB-CZ 4.11Å; F9-F151 AromaticContact CD1-CD1 3.69Å; F9-F151 HydrophobicContact CD1-CD1 3.69Å; F9-F151 HydrophobicContact CD1-CD2 4.21Å; F9-F151 AromaticContact CD1-CE1 3.49Å; F9-F151 HydrophobicContact CD1-CE1 3.49Å; F9-F151 VanDerWaalsContact CD1-CE1 3.49Å; F9-F151 HydrophobicContact CD1-CE2 4.03Å; F9-F151 HydrophobicContact CD1-CG 4.07Å; F9-F151 AromaticContact CD1-CZ 3.69Å; F9-F151 HydrophobicContact CD1-CZ 3.69Å; F9-F151 HydrophobicContact CD2-CE1 4.33Å; F9-F151 AromaticContact CD2-CZ 3.99Å; F9-F151 HydrophobicContact CD2-CZ 3.99Å; F9-F151 AromaticContact CE1-CD1 3.79Å; F9-F151 HydrophobicContact CE1-CD1 3.79Å; F9-F151 AromaticContact CE1-CE1 3.49Å; F9-F151 HydrophobicContact CE1-CE1 3.49Å; F9-F151 VanDerWaalsContact CE1-CE1 3.49Å; F9-F151 HydrophobicContact CE1-CZ 4.09Å; F9-F151 HydrophobicContact CE2-CE1 4.29Å; F9-F151 HydrophobicContact CE2-CZ 4.32Å; F9-F151 HydrophobicContact CG-CD1 4.47Å; F9-F151 HydrophobicContact CG-CD2 4.45Å; F9-F151 AromaticContact CG-CE1 3.94Å; F9-F151 HydrophobicContact CG-CE1 3.94Å; F9-F151 AromaticContact CG-CE2 3.9Å; F9-F151 HydrophobicContact CG-CE2 3.9Å; F9-F151 AromaticContact CG-CZ 3.66Å; F9-F151 HydrophobicContact CG-CZ 3.66Å; F9-F151 AromaticContact CZ-CE1 3.92Å; F9-F151 HydrophobicContact CZ-CE1 3.92Å; F9-F151 HydrophobicContact CZ-CZ 4.39Å; M11-F151 HydrophobicContact CE-CD2 4.22Å; M11-F151 HydrophobicContact CG-CD2 3.65Å; M11-F151 HydrophobicContact CG-CE2 4.11Å; M11-F151 HydrophobicContact SD-CD2 3.84Å; M11-F151 HydrophobicContact SD-CE2 3.88Å; V44-F151 HydrophobicContact CB-CZ 4.41Å; V44-F151 HydrophobicContact CG1-CZ 4.05Å; V44-F151 HydrophobicContact CG2-CE2 4.05Å; V44-F151 HydrophobicContact CG2-CZ 3.68Å; L59-F151 HydrophobicContact CD2-CE2 4.47Å; F111-F151 HydrophobicContact CE1-CE2 4.35Å; F111-F151 HydrophobicContact CE1-CZ 4.46Å; F111-F151 HydrophobicContact CE2-CD2 4.43Å; F111-F151 HydrophobicContact CZ-CB 4.37Å; F111-F151 HydrophobicContact CZ-CD1 4.38Å; F111-F151 AromaticContact CZ-CD2 3.67Å; F111-F151 HydrophobicContact CZ-CD2 3.67Å; F111-F151 AromaticContact CZ-CE2 3.91Å; F111-F151 HydrophobicContact CZ-CE2 3.91Å; F111-F151 AromaticContact CZ-CG 3.91Å; F111-F151 HydrophobicContact CZ-CG 3.91Å; F111-F151 HydrophobicContact CZ-CZ 4.31Å; F149-F151 PolarHBondContact O-N 2.92Å
152Q94.6Very high91Very high102 Ų10277.6 Ų77.648%0.47738%0.376SS..EExtended strand (participates in β ladder)trans-113.7131.1-167.9-55.6-175.4-82.100110F9 R10F9-Q152 CarbonylContact C-O 3.59Å; F9-Q152 WeakPolarHBondContact CA-O 3.12Å; F9-Q152 VanDerWaalsContact CD1-C 3.45Å; F9-Q152 WeakPolarHBondContact CD1-O 3.48Å; R10-Q152 PolarHBondContact N-O 3.15Å; R10-Q152 PolarHBondContact O-N 3.33Å
153Q94.5Very high92.6Very high127 Ų12764 Ų6459%0.59333%0.331SS*.EExtended strand (participates in β ladder)trans-65.1142.9175.4-167.2173.6-25.400109.8C8 F9C8-Q153 WeakPolarHBondContact O-CA 3.38Å; C8-Q153 WeakPolarHBondContact O-CG 3.29Å; F9-Q153 HydrophobicContact CD1-CB 4.2Å; F9-Q153 HydrophobicContact CE1-CB 3.89Å; F9-Q153 HydrophobicContact CE1-CG 4.44Å; F9-Q153 HydrophobicContact CZ-CB 4.29Å; F9-Q153 HydrophobicContact CZ-CG 4.37Å
154C92.5Very high93.7Very high20 Ų2058.1 Ų58.114%0.13530%0.298CS..  trans-65.6142.7173.1-52.60000110.2C8 F9C8-C154 HydrophobicContact CB-CB 3.6Å; C8-C154 WeakPolarHBondContact CB-SG 3.36Å; C8-C154 PolarHBondContact O-N 3.46Å; C8-C154 PolarHBondContact O-SG 2.96Å; C8-C154 WeakPolarHBondContact SG-CB 3.38Å; C8-C154 CovalentContact SG-SG 2.05Å; C8-C154 PolarHBondContact SG-SG 3.11Å; F9-C154 PolarHBondContact N-SG 3.13Å
155D80.7Confident94.1Very high223 Ų22361.5 Ų61.5100%1.19331%0.311SS*.  trans-70.80172.7-58.3-50.8000112.5

Retrieved 155 of 155 residues in 91.7 ms (Link to these results)

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